smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]12CC[N@H+](Cc3cc(Br)cnc3Cl)C[C@H]1C2(Br)Br ZINC001462432186 1068072920 /nfs/dbraw/zinc/07/29/20/1068072920.db2.gz YPAXSMVVGPYMHI-PWSUYJOCSA-N 1 0 473.434 4.825 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001545855525 1064264469 /nfs/dbraw/zinc/26/44/69/1064264469.db2.gz XHBGHNVYVHLBKW-ISKFKSNPSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001545857238 1064265915 /nfs/dbraw/zinc/26/59/15/1064265915.db2.gz RYZUKNUVRLBINL-CYFREDJKSA-N 1 0 466.674 4.788 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545858938 1064266905 /nfs/dbraw/zinc/26/69/05/1064266905.db2.gz ABSNSDZGTLXWRM-HDICACEKSA-N 1 0 498.638 4.652 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1cscc1C(F)(F)F ZINC001359719873 1064267428 /nfs/dbraw/zinc/26/74/28/1064267428.db2.gz ALTLUADODBGBNW-UHFFFAOYSA-N 1 0 499.525 4.621 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359720112 1064267806 /nfs/dbraw/zinc/26/78/06/1064267806.db2.gz IBINRDVGIMRGMK-UHFFFAOYSA-N 1 0 493.496 4.560 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1cc(Br)cs1 ZINC001359720526 1064267882 /nfs/dbraw/zinc/26/78/82/1064267882.db2.gz VIHDHLJIWSIHAG-UHFFFAOYSA-N 1 0 466.493 4.976 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCc1ccc(Br)s1 ZINC001359720493 1064267929 /nfs/dbraw/zinc/26/79/29/1064267929.db2.gz UGSPOZGCPSMQPU-UHFFFAOYSA-N 1 0 494.528 4.894 20 0 JJADRO CC(C)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001359723925 1064271646 /nfs/dbraw/zinc/27/16/46/1064271646.db2.gz BWZWNGIKFBNKQB-QFIPXVFZSA-N 1 0 477.600 4.845 20 0 JJADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccccc1NC(=O)c1ccccc1Br ZINC001545864848 1064272385 /nfs/dbraw/zinc/27/23/85/1064272385.db2.gz FWBLYCAIIUQGKP-INIZCTEOSA-N 1 0 458.400 4.504 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001545865473 1064273676 /nfs/dbraw/zinc/27/36/76/1064273676.db2.gz CHXMIICVXHXCAN-QHCPKHFHSA-N 1 0 494.728 4.795 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001545865857 1064275121 /nfs/dbraw/zinc/27/51/21/1064275121.db2.gz NSSITRCMWFTSHA-OAQYLSRUSA-N 1 0 494.728 4.906 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001545868089 1064278892 /nfs/dbraw/zinc/27/88/92/1064278892.db2.gz LRCFJKDSUUZMMQ-WMZHIEFXSA-N 1 0 484.664 4.655 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001545868447 1064279462 /nfs/dbraw/zinc/27/94/62/1064279462.db2.gz QNIZPKJOJXAOCY-VQTJNVASSA-N 1 0 486.730 4.653 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2CC)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545868646 1064280810 /nfs/dbraw/zinc/28/08/10/1064280810.db2.gz UNDBVZULVBADEH-AJSBUHFISA-N 1 0 458.695 4.618 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001359730253 1064281802 /nfs/dbraw/zinc/28/18/02/1064281802.db2.gz QOOVOMAVEAAGSD-QFIPXVFZSA-N 1 0 493.700 4.573 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001545870145 1064282776 /nfs/dbraw/zinc/28/27/76/1064282776.db2.gz HMNHKGKWNOKNAP-GPXNEJASSA-N 1 0 480.701 4.734 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001545870698 1064285113 /nfs/dbraw/zinc/28/51/13/1064285113.db2.gz TZRZHBQUJDHYKB-PKTZIBPZSA-N 1 0 480.701 4.763 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001545870762 1064285921 /nfs/dbraw/zinc/28/59/21/1064285921.db2.gz VSMCIMHLFOCRML-UHFFFAOYSA-N 1 0 480.701 4.845 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545870846 1064286504 /nfs/dbraw/zinc/28/65/04/1064286504.db2.gz YAAUGIXMRGZRQJ-XPNTWCBSSA-N 1 0 498.691 4.698 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001359732782 1064286995 /nfs/dbraw/zinc/28/69/95/1064286995.db2.gz KPBKNFPBCWELOX-FQEVSTJZSA-N 1 0 490.490 4.978 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001545872189 1064287894 /nfs/dbraw/zinc/28/78/94/1064287894.db2.gz JBGCGSHHLDXAQF-HSZRJFAPSA-N 1 0 486.730 4.762 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001545874384 1064290723 /nfs/dbraw/zinc/29/07/23/1064290723.db2.gz PQWNAUXHCWPFEX-SFHVURJKSA-N 1 0 486.627 4.630 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359733672 1064291893 /nfs/dbraw/zinc/29/18/93/1064291893.db2.gz DXNZTWHSMGTFRV-IBGZPJMESA-N 1 0 463.468 4.783 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001359734166 1064292516 /nfs/dbraw/zinc/29/25/16/1064292516.db2.gz NRULPWGKZWXBBZ-NRFANRHFSA-N 1 0 490.490 4.568 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001545875816 1064292695 /nfs/dbraw/zinc/29/26/95/1064292695.db2.gz HLNDORMJMWKVRK-MDNUFGMLSA-N 1 0 490.712 4.816 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001359734514 1064293764 /nfs/dbraw/zinc/29/37/64/1064293764.db2.gz VJYBVJSUBWRRMC-ROUUACIJSA-N 1 0 496.519 4.631 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001359734513 1064293793 /nfs/dbraw/zinc/29/37/93/1064293793.db2.gz VJYBVJSUBWRRMC-QZTJIDSGSA-N 1 0 496.519 4.631 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545879701 1064294834 /nfs/dbraw/zinc/29/48/34/1064294834.db2.gz DKBXDXYQIBGGKN-IRLDBZIGSA-N 1 0 451.394 4.636 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1cc(Br)cs1 ZINC001545880097 1064295503 /nfs/dbraw/zinc/29/55/03/1064295503.db2.gz PWJWRIBHPRSQGI-GOSISDBHSA-N 1 0 451.430 4.662 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001359737808 1064300394 /nfs/dbraw/zinc/30/03/94/1064300394.db2.gz GVKRVIVRMGZNHY-VWLOTQADSA-N 1 0 496.744 4.805 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1CC[NH+]1CCCCC1 ZINC001359738158 1064301110 /nfs/dbraw/zinc/30/11/10/1064301110.db2.gz ONPIDOLSKZRWLM-NRFANRHFSA-N 1 0 476.463 4.730 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001545885287 1064302048 /nfs/dbraw/zinc/30/20/48/1064302048.db2.gz RRMRFSKJNAYZFF-OAQYLSRUSA-N 1 0 458.695 4.622 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+](C)C(C)C)C1 ZINC001359739005 1064304530 /nfs/dbraw/zinc/30/45/30/1064304530.db2.gz JGHLTHQLAXQHFQ-INIZCTEOSA-N 1 0 452.416 4.669 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001359738959 1064304591 /nfs/dbraw/zinc/30/45/91/1064304591.db2.gz HYXADLVKNCKPOK-DYESRHJHSA-N 1 0 489.437 4.960 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001359739510 1064307091 /nfs/dbraw/zinc/30/70/91/1064307091.db2.gz VWHYIOOOQAWXTM-KNQAVFIVSA-N 1 0 485.474 4.831 20 0 JJADRO CC(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001359739324 1064307338 /nfs/dbraw/zinc/30/73/38/1064307338.db2.gz PZWNEVKMVBIUQF-HSZRJFAPSA-N 1 0 460.066 4.708 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001359740114 1064309089 /nfs/dbraw/zinc/30/90/89/1064309089.db2.gz MOTARBZFGSABTJ-OXJNMPFZSA-N 1 0 464.427 4.669 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001359744306 1064315783 /nfs/dbraw/zinc/31/57/83/1064315783.db2.gz DLKIMQXSNBXHPK-QZTJIDSGSA-N 1 0 476.463 4.585 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001359745618 1064319681 /nfs/dbraw/zinc/31/96/81/1064319681.db2.gz NKCAOYMCDGPGQQ-LJQANCHMSA-N 1 0 478.106 4.553 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H](C)[NH+](C)C)CCS1 ZINC001359747610 1064329775 /nfs/dbraw/zinc/32/97/75/1064329775.db2.gz FJDKZQKNAFUZDE-XXBNENTESA-N 1 0 469.655 4.645 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001359747971 1064332070 /nfs/dbraw/zinc/33/20/70/1064332070.db2.gz MFGKDUVXCFPVHS-IBGZPJMESA-N 1 0 498.897 4.810 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CCS1 ZINC001359748410 1064334202 /nfs/dbraw/zinc/33/42/02/1064334202.db2.gz VDOPZTNDNOKIEN-PXNSSMCTSA-N 1 0 478.504 4.770 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccccc3Br)n2CCC[NH+]2CCCC2)CCS1 ZINC001359749666 1064337788 /nfs/dbraw/zinc/33/77/88/1064337788.db2.gz WEUWDJKCAHXYPE-HXUWFJFHSA-N 1 0 478.504 4.771 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c1 ZINC001434915625 1064342752 /nfs/dbraw/zinc/34/27/52/1064342752.db2.gz LWTICLQKPSDVHZ-UHFFFAOYSA-N 1 0 459.615 4.760 20 0 JJADRO Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC001434917014 1064344252 /nfs/dbraw/zinc/34/42/52/1064344252.db2.gz BCJUGHCGQAOXGO-UHFFFAOYSA-N 1 0 452.649 4.989 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](c2ccco2)[NH+](C)C)CCS1 ZINC001359754369 1064345217 /nfs/dbraw/zinc/34/52/17/1064345217.db2.gz DITHTRCQWCPXIH-FYYLOGMGSA-N 1 0 453.656 4.537 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[C@H](C)[NH+]2CCCCC2)CCS1 ZINC001359755133 1064347352 /nfs/dbraw/zinc/34/73/52/1064347352.db2.gz SYJZGZSRCWOCPL-UPVQGACJSA-N 1 0 471.715 4.742 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)CCO1 ZINC001359756186 1064352575 /nfs/dbraw/zinc/35/25/75/1064352575.db2.gz NGXZTUALKFHXSN-OAQYLSRUSA-N 1 0 482.456 4.511 20 0 JJADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001359756794 1064355497 /nfs/dbraw/zinc/35/54/97/1064355497.db2.gz YICIFHJRGFXALP-WXFUMESZSA-N 1 0 475.722 4.714 20 0 JJADRO CC(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359759735 1064365713 /nfs/dbraw/zinc/36/57/13/1064365713.db2.gz LDRUGUTUCYDRRC-AZGAKELHSA-N 1 0 467.702 4.825 20 0 JJADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3nnn(-c4ccccc4Cl)c3C)ccc21 ZINC001434947619 1064368153 /nfs/dbraw/zinc/36/81/53/1064368153.db2.gz YQKGRVUJPPUHRI-UHFFFAOYSA-N 1 0 450.974 4.778 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCSC1)[NH+](C)C ZINC001359764436 1064383861 /nfs/dbraw/zinc/38/38/61/1064383861.db2.gz AZOMAOQHYATLFU-RBUKOAKNSA-N 1 0 466.493 4.626 20 0 JJADRO CC(C)C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CCC(C)CC1)[NH+](C)C ZINC001359764485 1064383911 /nfs/dbraw/zinc/38/39/11/1064383911.db2.gz BZNQOKCVJCDZBR-ZUEZHPSSSA-N 1 0 489.108 4.853 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1)[NH+](C)C ZINC001359764802 1064385344 /nfs/dbraw/zinc/38/53/44/1064385344.db2.gz JRMHXJJKIOHSNX-BGWNEDDSSA-N 1 0 487.664 4.786 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccon1)[NH+](C)C ZINC001359765781 1064389025 /nfs/dbraw/zinc/38/90/25/1064389025.db2.gz BNWDWPXIVLDTAN-KRWDZBQOSA-N 1 0 451.402 4.853 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)[NH+](C)C ZINC001359766023 1064390143 /nfs/dbraw/zinc/39/01/43/1064390143.db2.gz GYNGEHDYZCPIPL-QTJGBDASSA-N 1 0 496.700 4.757 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(C1)CCCOC2)[NH+](C)C ZINC001359766093 1064390266 /nfs/dbraw/zinc/39/02/66/1064390266.db2.gz HZNFXYXJAGIYFX-NTKDMRAZSA-N 1 0 464.029 4.721 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001359766243 1064390935 /nfs/dbraw/zinc/39/09/35/1064390935.db2.gz KBSMYNFRZRUFSW-ROMRWMGNSA-N 1 0 496.483 4.612 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccon1)[NH+](C)C ZINC001359766186 1064391072 /nfs/dbraw/zinc/39/10/72/1064391072.db2.gz JBULFYRQWXHDNQ-YLJYHZDGSA-N 1 0 456.660 4.732 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001359766244 1064391151 /nfs/dbraw/zinc/39/11/51/1064391151.db2.gz KBSMYNFRZRUFSW-YJLYGGOZSA-N 1 0 496.483 4.612 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001359766362 1064391777 /nfs/dbraw/zinc/39/17/77/1064391777.db2.gz MGTMRXVCIZZGDB-NVXWUHKLSA-N 1 0 484.483 4.765 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001359766411 1064392027 /nfs/dbraw/zinc/39/20/27/1064392027.db2.gz NJRDIGUQFOUWQY-ATEJDMMGSA-N 1 0 483.701 4.603 20 0 JJADRO C[C@H](NC(=O)C1(c2c(Cl)cccc2Cl)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434978618 1064394636 /nfs/dbraw/zinc/39/46/36/1064394636.db2.gz KSMDFVMAULSTAQ-HNNXBMFYSA-N 1 0 450.385 4.793 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC001359766858 1064395046 /nfs/dbraw/zinc/39/50/46/1064395046.db2.gz VZPLEXOFTZIMGK-TZIWHRDSSA-N 1 0 455.647 4.565 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001359767040 1064395283 /nfs/dbraw/zinc/39/52/83/1064395283.db2.gz ZMSXZSFTQAZFQJ-YFVAEKQCSA-N 1 0 490.574 4.626 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCc2ccc(Br)cc2C1)[NH+](C)C ZINC001359767477 1064396095 /nfs/dbraw/zinc/39/60/95/1064396095.db2.gz IRQUFIDJYSPZCY-NRFANRHFSA-N 1 0 483.458 4.642 20 0 JJADRO CCCOc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1OCCC ZINC001434980568 1064397020 /nfs/dbraw/zinc/39/70/20/1064397020.db2.gz WIWRDQQXLMPUCR-LJQANCHMSA-N 1 0 457.590 4.646 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OC(C)C)CC1)[NH+](C)C ZINC001359767948 1064397175 /nfs/dbraw/zinc/39/71/75/1064397175.db2.gz QOGBZSQSWWCKDA-HXUWFJFHSA-N 1 0 452.647 4.797 20 0 JJADRO CCOc1ccccc1-c1cccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC001434981539 1064397806 /nfs/dbraw/zinc/39/78/06/1064397806.db2.gz GOPIVNAUISVIPX-HSZRJFAPSA-N 1 0 457.574 4.702 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)CC1)[NH+](C)C ZINC001359769623 1064400049 /nfs/dbraw/zinc/40/00/49/1064400049.db2.gz RVFQDIAIIPJJHG-JOCHJYFZSA-N 1 0 476.710 4.605 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(-n2cncn2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001434984958 1064401188 /nfs/dbraw/zinc/40/11/88/1064401188.db2.gz CRLMTNQUFANERU-LJQANCHMSA-N 1 0 451.880 4.961 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1)[NH+](C)C ZINC001359770755 1064402670 /nfs/dbraw/zinc/40/26/70/1064402670.db2.gz LIBCDUWHPCCAGZ-AZUAARDMSA-N 1 0 481.582 4.995 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001359771141 1064403590 /nfs/dbraw/zinc/40/35/90/1064403590.db2.gz RCKVKOWXACDYFD-NFBKMPQASA-N 1 0 489.636 4.763 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001359771415 1064405079 /nfs/dbraw/zinc/40/50/79/1064405079.db2.gz WTWIDTOLCAVOBL-KRWDZBQOSA-N 1 0 492.512 4.561 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001359771449 1064405231 /nfs/dbraw/zinc/40/52/31/1064405231.db2.gz XNOIRMSDNHXPLJ-BWKNWUBXSA-N 1 0 498.716 4.929 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001359771837 1064406853 /nfs/dbraw/zinc/40/68/53/1064406853.db2.gz FGRDDKAJWADPFL-DNVJHFABSA-N 1 0 459.654 4.949 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1)[NH+](C)C ZINC001359772333 1064408320 /nfs/dbraw/zinc/40/83/20/1064408320.db2.gz NPYPZNFUFGKRRP-ZGFBMJKBSA-N 1 0 469.674 4.710 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001359772626 1064409173 /nfs/dbraw/zinc/40/91/73/1064409173.db2.gz SYCHXSJRZXWUDJ-VXNXHJTFSA-N 1 0 490.092 4.709 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC001434997810 1064412982 /nfs/dbraw/zinc/41/29/82/1064412982.db2.gz SVFIACNGFIXQCM-FYYLOGMGSA-N 1 0 455.046 4.579 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(C)cc(C(=O)OC(C)(C)C)c2)ccc1OC ZINC001435002923 1064418095 /nfs/dbraw/zinc/41/80/95/1064418095.db2.gz WXFVBBQARBSONZ-UHFFFAOYSA-N 1 0 456.583 4.932 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)c2c(F)ccc(Br)c2F)ccc1OC ZINC001435003053 1064418128 /nfs/dbraw/zinc/41/81/28/1064418128.db2.gz ZYUUGPFUDXIHGW-UHFFFAOYSA-N 1 0 457.315 4.709 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001359777375 1064421337 /nfs/dbraw/zinc/42/13/37/1064421337.db2.gz IREUAOTXQICNDO-JOCHJYFZSA-N 1 0 497.485 4.783 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CCOc1ncccc1F ZINC001359777745 1064422122 /nfs/dbraw/zinc/42/21/22/1064422122.db2.gz QIOTXYGULKFDOB-JTHBVZDNSA-N 1 0 480.632 4.579 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCC[C@H]1CCCCO1 ZINC001359777828 1064422224 /nfs/dbraw/zinc/42/22/24/1064422224.db2.gz RUWGVSJBOXEJSY-LOSJGSFVSA-N 1 0 453.675 4.927 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001359779657 1064426794 /nfs/dbraw/zinc/42/67/94/1064426794.db2.gz TZKQYCJIBDAMNQ-UHFFFAOYSA-N 1 0 472.559 4.842 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccccc2Br)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359780921 1064430566 /nfs/dbraw/zinc/43/05/66/1064430566.db2.gz NXXYFIAZGCESGF-NRFANRHFSA-N 1 0 462.480 4.996 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2nccs2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359782323 1064434359 /nfs/dbraw/zinc/43/43/59/1064434359.db2.gz PNYUSVPEJKSQKG-IRLDBZIGSA-N 1 0 452.672 4.870 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359784102 1064437077 /nfs/dbraw/zinc/43/70/77/1064437077.db2.gz RIONPKNHVQDZMK-WEWMWRJBSA-N 1 0 467.702 4.886 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCSc1ccccc1 ZINC001359785827 1064439870 /nfs/dbraw/zinc/43/98/70/1064439870.db2.gz AZDCVYLVBQYAEW-SQJMNOBHSA-N 1 0 481.714 4.522 20 0 JJADRO CC(C)Cc1nnc(N(Cc2ccc(F)cc2F)C2CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359787238 1064442140 /nfs/dbraw/zinc/44/21/40/1064442140.db2.gz XHODEYWTHMZTDF-OALUTQOASA-N 1 0 475.628 4.812 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001359790699 1064447358 /nfs/dbraw/zinc/44/73/58/1064447358.db2.gz XNCTXEQJJWNTOL-YQVWRLOYSA-N 1 0 471.593 4.531 20 0 JJADRO CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359792112 1064449398 /nfs/dbraw/zinc/44/93/98/1064449398.db2.gz HRKWIRMKLQXEIJ-FKEBYFGASA-N 1 0 459.704 4.873 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359792747 1064450159 /nfs/dbraw/zinc/45/01/59/1064450159.db2.gz PBRFBVFCAHUICZ-JVNMPXIPSA-N 1 0 453.675 4.747 20 0 JJADRO CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359793086 1064451013 /nfs/dbraw/zinc/45/10/13/1064451013.db2.gz RBNDIZOBYMIUPY-DLBZAZTESA-N 1 0 460.464 4.846 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1CCC[NH+]1CCCCC1 ZINC001359795043 1064453709 /nfs/dbraw/zinc/45/37/09/1064453709.db2.gz BMVGCMCMFKZRFT-UHFFFAOYSA-N 1 0 455.622 4.591 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C3(Cc4ccc(Cl)cc4)CC3)CC2)c1C ZINC001359795788 1064454515 /nfs/dbraw/zinc/45/45/15/1064454515.db2.gz OFPZCCBQZDMYBI-UHFFFAOYSA-N 1 0 456.030 4.806 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359796232 1064455485 /nfs/dbraw/zinc/45/54/85/1064455485.db2.gz XBFAUBMCGCLBQD-DHIUTWEWSA-N 1 0 465.686 4.944 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001545888356 1064459159 /nfs/dbraw/zinc/45/91/59/1064459159.db2.gz ITFPSDDIHQRDMT-UHFFFAOYSA-N 1 0 487.092 4.535 20 0 JJADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC001435043373 1064460023 /nfs/dbraw/zinc/46/00/23/1064460023.db2.gz DSRXNNOHYHJMIB-LJQANCHMSA-N 1 0 457.405 4.858 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001359798479 1064462265 /nfs/dbraw/zinc/46/22/65/1064462265.db2.gz JQDSTYNHMIALFK-OAHLLOKOSA-N 1 0 455.491 4.530 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001359798904 1064464026 /nfs/dbraw/zinc/46/40/26/1064464026.db2.gz SQINWWUGDTXSBJ-XMMPIXPASA-N 1 0 481.607 4.528 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359802883 1064471531 /nfs/dbraw/zinc/47/15/31/1064471531.db2.gz XLKVKTIIQJZMJM-GBAAUQCPSA-N 1 0 453.675 4.747 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1Cc1cc(Br)cs1 ZINC001359807695 1064478130 /nfs/dbraw/zinc/47/81/30/1064478130.db2.gz BEBPGBNCIUJGSC-QGZVFWFLSA-N 1 0 466.493 4.661 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCc1ccc(F)c(F)c1F ZINC001359807850 1064478987 /nfs/dbraw/zinc/47/89/87/1064478987.db2.gz DCKWVTZZISQNSU-UHFFFAOYSA-N 1 0 451.581 4.693 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC[C@](C)(O)c1ccccc1 ZINC001359808219 1064479629 /nfs/dbraw/zinc/47/96/29/1064479629.db2.gz JZLQOYUZMXFZEZ-NDEPHWFRSA-N 1 0 467.702 4.867 20 0 JJADRO O=C(c1cc(OCC(F)F)ccn1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001435064035 1064482537 /nfs/dbraw/zinc/48/25/37/1064482537.db2.gz HLNPZDPJFACLDX-UHFFFAOYSA-N 1 0 458.336 4.771 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C(=O)OC)c1 ZINC001435067218 1064487839 /nfs/dbraw/zinc/48/78/39/1064487839.db2.gz VEIWODCEAOTHGL-UHFFFAOYSA-N 1 0 451.394 4.693 20 0 JJADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359814527 1064491864 /nfs/dbraw/zinc/49/18/64/1064491864.db2.gz JDIQOYTUVVOKMF-OAQYLSRUSA-N 1 0 486.730 4.592 20 0 JJADRO CC(C)Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359815204 1064495604 /nfs/dbraw/zinc/49/56/04/1064495604.db2.gz XRODGWUVYPGECY-JOCHJYFZSA-N 1 0 476.710 4.623 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359815505 1064496330 /nfs/dbraw/zinc/49/63/30/1064496330.db2.gz MZFSVZRGTZZQPW-QFIPXVFZSA-N 1 0 485.673 4.554 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359815645 1064497013 /nfs/dbraw/zinc/49/70/13/1064497013.db2.gz QWVOTIBVCPOZPK-MHZLTWQESA-N 1 0 488.120 4.969 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359815880 1064497982 /nfs/dbraw/zinc/49/79/82/1064497982.db2.gz YLNJBOHVBVOETL-KWTBFXGESA-N 1 0 488.120 4.824 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359831745 1064514954 /nfs/dbraw/zinc/51/49/54/1064514954.db2.gz BBUKFELSLXCGJC-ZRBLBEILSA-N 1 0 488.765 4.612 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359832393 1064515893 /nfs/dbraw/zinc/51/58/93/1064515893.db2.gz JDQCBXGLEBRFGM-FQEVSTJZSA-N 1 0 473.735 4.622 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001359832848 1064517422 /nfs/dbraw/zinc/51/74/22/1064517422.db2.gz POFUBGOJHYHGHJ-GOTSBHOMSA-N 1 0 490.737 4.824 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359833469 1064518902 /nfs/dbraw/zinc/51/89/02/1064518902.db2.gz YAUROBHHCOHPMJ-GOTSBHOMSA-N 1 0 484.689 4.615 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001359835383 1064522569 /nfs/dbraw/zinc/52/25/69/1064522569.db2.gz WDQWGSMIHLFYNT-BJKOFHAPSA-N 1 0 496.700 4.807 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359835373 1064522651 /nfs/dbraw/zinc/52/26/51/1064522651.db2.gz VZOAKVWRDBQTIE-JTHBVZDNSA-N 1 0 488.721 4.767 20 0 JJADRO CC(C)Cc1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001359841143 1064528004 /nfs/dbraw/zinc/52/80/04/1064528004.db2.gz DDUNUURVOOAXDS-UHFFFAOYSA-N 1 0 492.634 4.585 20 0 JJADRO COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1OC ZINC001435123066 1064529114 /nfs/dbraw/zinc/52/91/14/1064529114.db2.gz MFXBSAFKAFYHFD-STZQEDGTSA-N 1 0 465.619 4.562 20 0 JJADRO CC(C)Cc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359841522 1064529206 /nfs/dbraw/zinc/52/92/06/1064529206.db2.gz RGZMNRWZCOQRQC-UHFFFAOYSA-N 1 0 479.591 4.921 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001359846812 1064533128 /nfs/dbraw/zinc/53/31/28/1064533128.db2.gz ATIPBKXGNPWUQZ-UHFFFAOYSA-N 1 0 458.183 4.529 20 0 JJADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001359847037 1064533462 /nfs/dbraw/zinc/53/34/62/1064533462.db2.gz GNZOBAXVOHICKZ-UHFFFAOYSA-N 1 0 452.565 4.698 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(Oc2ccccc2)cn1 ZINC001359847448 1064533590 /nfs/dbraw/zinc/53/35/90/1064533590.db2.gz MRDAYRKBMRLXFT-UHFFFAOYSA-N 1 0 454.368 4.840 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001359850527 1064536602 /nfs/dbraw/zinc/53/66/02/1064536602.db2.gz WWZHHKCNMCWGHG-GOSISDBHSA-N 1 0 499.025 4.960 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001359852347 1064539371 /nfs/dbraw/zinc/53/93/71/1064539371.db2.gz LTKCRDSRAXACNU-UHFFFAOYSA-N 1 0 496.103 4.740 20 0 JJADRO Cc1cc2c(o1)c(C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)ccc2Br ZINC001359852211 1064539428 /nfs/dbraw/zinc/53/94/28/1064539428.db2.gz WTVFUZZBBFTOAC-UHFFFAOYSA-N 1 0 451.311 4.986 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001359853069 1064540885 /nfs/dbraw/zinc/54/08/85/1064540885.db2.gz DNNMHXQBTKEONY-FQEVSTJZSA-N 1 0 454.439 4.705 20 0 JJADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c(OCC(C)C)c1 ZINC001359854486 1064541732 /nfs/dbraw/zinc/54/17/32/1064541732.db2.gz YZPBQUGMDOPOAU-UHFFFAOYSA-N 1 0 452.517 4.953 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCOc1ccccc1Cl ZINC001359855987 1064543303 /nfs/dbraw/zinc/54/33/03/1064543303.db2.gz UXGIMSBZFFAQFR-UHFFFAOYSA-N 1 0 460.066 4.910 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359855457 1064543514 /nfs/dbraw/zinc/54/35/14/1064543514.db2.gz NXHRULNLFCDUNA-LJQANCHMSA-N 1 0 479.591 4.777 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)CCC1 ZINC001359859072 1064546434 /nfs/dbraw/zinc/54/64/34/1064546434.db2.gz VFWHEHLMYKSDAI-UHFFFAOYSA-N 1 0 450.023 4.602 20 0 JJADRO CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359859754 1064547930 /nfs/dbraw/zinc/54/79/30/1064547930.db2.gz DKUILYDZERFCFF-FGZHOGPDSA-N 1 0 472.747 4.617 20 0 JJADRO CC(C)Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC[C@H](C)c1ccccc1 ZINC001359860287 1064549344 /nfs/dbraw/zinc/54/93/44/1064549344.db2.gz ONHHLRMPKPFAHP-ISJGIBHGSA-N 1 0 466.718 4.665 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001359864219 1064554230 /nfs/dbraw/zinc/55/42/30/1064554230.db2.gz IFDMZPDRDYGSOG-IEIRFRATSA-N 1 0 459.704 4.873 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001359864175 1064554386 /nfs/dbraw/zinc/55/43/86/1064554386.db2.gz HOLMCBBRGOSAGZ-HSZRJFAPSA-N 1 0 482.673 4.741 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CCC[N@H+](C)C(C)C ZINC001359865945 1064556516 /nfs/dbraw/zinc/55/65/16/1064556516.db2.gz KYFSUGKLSIMHCL-OAQYLSRUSA-N 1 0 478.479 4.547 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359866501 1064557430 /nfs/dbraw/zinc/55/74/30/1064557430.db2.gz SQIALRKTAOFJHF-URXFXBBRSA-N 1 0 457.638 4.562 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359866500 1064557696 /nfs/dbraw/zinc/55/76/96/1064557696.db2.gz SQIALRKTAOFJHF-QPPBQGQZSA-N 1 0 457.638 4.562 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001359866754 1064558482 /nfs/dbraw/zinc/55/84/82/1064558482.db2.gz YVNWBEVBYZMVND-NRFANRHFSA-N 1 0 479.591 4.948 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001359866749 1064558759 /nfs/dbraw/zinc/55/87/59/1064558759.db2.gz YSKGBQNTZBVLRJ-QHCPKHFHSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001359879077 1064570842 /nfs/dbraw/zinc/57/08/42/1064570842.db2.gz OYKKQSJDLNPTJW-DPZBCOQUSA-N 1 0 475.722 4.559 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)c2nn(-c3cc(Cl)ccc3F)c3c2CCC3)c1 ZINC001435179878 1064571546 /nfs/dbraw/zinc/57/15/46/1064571546.db2.gz OWLZYJQQPLUPRW-UHFFFAOYSA-N 1 0 456.949 4.736 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)C2CCCC2)C1 ZINC001359879309 1064571807 /nfs/dbraw/zinc/57/18/07/1064571807.db2.gz SWDCXFZONADIPN-SFHVURJKSA-N 1 0 477.495 4.793 20 0 JJADRO Cc1ccc2c(C(=O)Nc3cccc(OCCC[NH+](C)C)c3)cc(-c3cnn(C)c3)nc2c1C ZINC001435180796 1064572255 /nfs/dbraw/zinc/57/22/55/1064572255.db2.gz WIKJPNUHCBFYIX-UHFFFAOYSA-N 1 0 457.578 4.835 20 0 JJADRO COc1ccc(/C=C(/C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)c2cccs2)cc1 ZINC001435188791 1064578557 /nfs/dbraw/zinc/57/85/57/1064578557.db2.gz OFNVMDDLKFULTK-PTGBLXJZSA-N 1 0 454.636 4.837 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001359884880 1064579668 /nfs/dbraw/zinc/57/96/68/1064579668.db2.gz RWWSBHHKASGIMV-QFIPXVFZSA-N 1 0 460.066 4.507 20 0 JJADRO CCCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)cc1 ZINC001435189892 1064579780 /nfs/dbraw/zinc/57/97/80/1064579780.db2.gz VFRREDGJUWKXQP-RUZDIDTESA-N 1 0 450.627 4.732 20 0 JJADRO CC(C)[C@H](C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001435190550 1064580031 /nfs/dbraw/zinc/58/00/31/1064580031.db2.gz GVXIVVPWRPLXQE-QFIPXVFZSA-N 1 0 451.508 4.652 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359885502 1064580327 /nfs/dbraw/zinc/58/03/27/1064580327.db2.gz BXVNRXIKWFSSRX-GGAORHGYSA-N 1 0 457.638 4.989 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001359887037 1064582830 /nfs/dbraw/zinc/58/28/30/1064582830.db2.gz RURDIXAMMPJOHC-FGZHOGPDSA-N 1 0 457.638 4.991 20 0 JJADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001435195244 1064583783 /nfs/dbraw/zinc/58/37/83/1064583783.db2.gz OPZCFFKTHDUQSE-QHCPKHFHSA-N 1 0 451.014 4.774 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001359887845 1064584399 /nfs/dbraw/zinc/58/43/99/1064584399.db2.gz YSHKFNMFETUSCG-ZRBLBEILSA-N 1 0 488.721 4.954 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001359887822 1064584428 /nfs/dbraw/zinc/58/44/28/1064584428.db2.gz YKRMQILBKYNRAA-GSPCLOLRSA-N 1 0 488.721 4.653 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359889212 1064587492 /nfs/dbraw/zinc/58/74/92/1064587492.db2.gz MWFOUJMNAOPZGV-XMMPIXPASA-N 1 0 492.506 4.815 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359891673 1064592680 /nfs/dbraw/zinc/59/26/80/1064592680.db2.gz VYDMRSMGINVMBG-GLDPYIMESA-N 1 0 490.490 4.568 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359891549 1064592768 /nfs/dbraw/zinc/59/27/68/1064592768.db2.gz SVXDVDWUJQHVAU-HHHXNRCGSA-N 1 0 464.658 4.647 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435207843 1064592682 /nfs/dbraw/zinc/59/26/82/1064592682.db2.gz MYLHKBCMWKOOEC-XUZZJYLKSA-N 1 0 457.659 4.973 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(F)cc3C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545889617 1064604721 /nfs/dbraw/zinc/60/47/21/1064604721.db2.gz BYEPQLZOKQQXSB-NHCUHLMSSA-N 1 0 498.691 4.656 20 0 JJADRO CC(C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359902577 1064614736 /nfs/dbraw/zinc/61/47/36/1064614736.db2.gz PQKXXOOCAOHZQJ-UHFFFAOYSA-N 1 0 477.495 4.937 20 0 JJADRO CC(C)CCCn1c(-c2ccccc2F)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001359904812 1064619554 /nfs/dbraw/zinc/61/95/54/1064619554.db2.gz ZCHUYBZPMFXYMN-UHFFFAOYSA-N 1 0 456.654 4.515 20 0 JJADRO COc1cccc(OC(F)(F)F)c1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001359906325 1064621637 /nfs/dbraw/zinc/62/16/37/1064621637.db2.gz ALIJKINQZYEMOB-UHFFFAOYSA-N 1 0 455.452 4.516 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3coc(/C=C/C(=O)OC(C)(C)C)c3)cc2F)CC1 ZINC001359906815 1064622483 /nfs/dbraw/zinc/62/24/83/1064622483.db2.gz JUDAXQJHYCZVFB-VQHVLOKHSA-N 1 0 457.546 4.556 20 0 JJADRO CC(C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001359907614 1064623793 /nfs/dbraw/zinc/62/37/93/1064623793.db2.gz IYNMDCGPDHSDJZ-QFIPXVFZSA-N 1 0 474.694 4.503 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359914271 1064633810 /nfs/dbraw/zinc/63/38/10/1064633810.db2.gz DXRKZVKMTZXCJT-QZTJIDSGSA-N 1 0 465.484 4.649 20 0 JJADRO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1=O ZINC001435260256 1064636463 /nfs/dbraw/zinc/63/64/63/1064636463.db2.gz HXASZXIGOSJSLL-TXNPELCJSA-N 1 0 453.652 4.814 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)[C@@H]1c1cccs1 ZINC001435260955 1064637622 /nfs/dbraw/zinc/63/76/22/1064637622.db2.gz LQUNHEKSWQXTSW-NVXWUHKLSA-N 1 0 450.486 4.630 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359917718 1064639537 /nfs/dbraw/zinc/63/95/37/1064639537.db2.gz LQASHIBKMUZDNK-NHCUHLMSSA-N 1 0 479.673 4.834 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359917723 1064639912 /nfs/dbraw/zinc/63/99/12/1064639912.db2.gz LWXGLNYZVJRLNW-JOCHJYFZSA-N 1 0 493.700 4.839 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359918091 1064639970 /nfs/dbraw/zinc/63/99/70/1064639970.db2.gz YXDCZRFPHURKQO-NRFANRHFSA-N 1 0 466.630 4.583 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@H+](C)C1CCCC1 ZINC001359918078 1064639997 /nfs/dbraw/zinc/63/99/97/1064639997.db2.gz YQPYQVVBFGOPHV-UHFFFAOYSA-N 1 0 479.673 4.593 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359918486 1064641687 /nfs/dbraw/zinc/64/16/87/1064641687.db2.gz IWWSXXSHUYGFSX-GOTSBHOMSA-N 1 0 490.737 4.995 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359921547 1064647801 /nfs/dbraw/zinc/64/78/01/1064647801.db2.gz LRLMCAODKHYPJJ-BDTNDASRSA-N 1 0 476.710 4.953 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359921558 1064648570 /nfs/dbraw/zinc/64/85/70/1064648570.db2.gz LZEWSPQXSOKUNI-OYRHEFFESA-N 1 0 476.710 4.653 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 ZINC001435274552 1064653095 /nfs/dbraw/zinc/65/30/95/1064653095.db2.gz TVLFJFJUGISUHN-QHCPKHFHSA-N 1 0 450.623 4.886 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 ZINC001435274549 1064653276 /nfs/dbraw/zinc/65/32/76/1064653276.db2.gz TVLFJFJUGISUHN-HSZRJFAPSA-N 1 0 450.623 4.886 20 0 JJADRO CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001359932894 1064672173 /nfs/dbraw/zinc/67/21/73/1064672173.db2.gz IJHGGHMVFZDRQI-JOCHJYFZSA-N 1 0 486.680 4.598 20 0 JJADRO CN1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c2cc(Cl)ccc21 ZINC001435300481 1064675985 /nfs/dbraw/zinc/67/59/85/1064675985.db2.gz FIHPCSNREFLUSB-JOCHJYFZSA-N 1 0 451.920 4.968 20 0 JJADRO CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001359933854 1064676228 /nfs/dbraw/zinc/67/62/28/1064676228.db2.gz ZBEWERUXJYWSDA-QFIPXVFZSA-N 1 0 486.680 4.598 20 0 JJADRO Cc1ccc(Cl)cc1OCC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435316717 1064689163 /nfs/dbraw/zinc/68/91/63/1064689163.db2.gz PFYKBTZUZWPWTG-LJQANCHMSA-N 1 0 454.920 4.940 20 0 JJADRO Cc1ccc(Cl)cc1OCC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435316716 1064689270 /nfs/dbraw/zinc/68/92/70/1064689270.db2.gz PFYKBTZUZWPWTG-IBGZPJMESA-N 1 0 454.920 4.940 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C2SCCCS2)cc1 ZINC001435319047 1064691914 /nfs/dbraw/zinc/69/19/14/1064691914.db2.gz KLQNPUAKBJZHPE-UHFFFAOYSA-N 1 0 457.665 4.958 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001359948290 1064700174 /nfs/dbraw/zinc/70/01/74/1064700174.db2.gz UAZYAJCKRSSMIS-UNMCSNQZSA-N 1 0 476.710 4.509 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001359948690 1064700569 /nfs/dbraw/zinc/70/05/69/1064700569.db2.gz YTKDNZVRNNGXID-QFIPXVFZSA-N 1 0 476.710 4.511 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001359948689 1064700717 /nfs/dbraw/zinc/70/07/17/1064700717.db2.gz YTKDNZVRNNGXID-JOCHJYFZSA-N 1 0 476.710 4.511 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccccc3F)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001359948955 1064701073 /nfs/dbraw/zinc/70/10/73/1064701073.db2.gz UJIBKAFQIUXOSB-OYRHEFFESA-N 1 0 457.638 4.847 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001359948777 1064701133 /nfs/dbraw/zinc/70/11/33/1064701133.db2.gz QKIXWSKDZBJOSI-HSZRJFAPSA-N 1 0 471.665 4.629 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001359948993 1064701702 /nfs/dbraw/zinc/70/17/02/1064701702.db2.gz VGCMPDFTLLGLKI-WOJBJXKFSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(O)c3)CC2)CC1 ZINC001359949209 1064702036 /nfs/dbraw/zinc/70/20/36/1064702036.db2.gz ZCFRSJCKGGCECG-UHFFFAOYSA-N 1 0 482.717 4.657 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CC(C)C)CC1 ZINC001359949226 1064702097 /nfs/dbraw/zinc/70/20/97/1064702097.db2.gz ZNALVWNTBUACLR-UHFFFAOYSA-N 1 0 463.674 4.981 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001359950025 1064703214 /nfs/dbraw/zinc/70/32/14/1064703214.db2.gz CMDGWGGMYMCHAH-FGZHOGPDSA-N 1 0 469.674 4.573 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001359950139 1064703786 /nfs/dbraw/zinc/70/37/86/1064703786.db2.gz FLHPRRLCUMUTIH-VWLOTQADSA-N 1 0 493.700 4.860 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001359950686 1064706369 /nfs/dbraw/zinc/70/63/69/1064706369.db2.gz MQRVPKNJLFYFTB-NHCUHLMSSA-N 1 0 469.674 4.856 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N3CCCC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001359950890 1064707665 /nfs/dbraw/zinc/70/76/65/1064707665.db2.gz PRHYREODIJQGEX-MHZLTWQESA-N 1 0 475.722 4.703 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001435339313 1064709442 /nfs/dbraw/zinc/70/94/42/1064709442.db2.gz MZNAQRXZWVGSHP-OXJNMPFZSA-N 1 0 454.368 4.745 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2(O)CCCC2)cc1 ZINC001359951817 1064711255 /nfs/dbraw/zinc/71/12/55/1064711255.db2.gz GUVSHTUKXXTQJK-UHFFFAOYSA-N 1 0 469.674 4.596 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001359954032 1064717738 /nfs/dbraw/zinc/71/77/38/1064717738.db2.gz CHEKRGLBEAITOR-JOCHJYFZSA-N 1 0 468.671 4.736 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001359954004 1064717925 /nfs/dbraw/zinc/71/79/25/1064717925.db2.gz AGVNCGXHPNKTFN-RCZVLFRGSA-N 1 0 469.674 4.716 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)cc1 ZINC001545890450 1064720846 /nfs/dbraw/zinc/72/08/46/1064720846.db2.gz AZVMFBJUIQXGGS-SANMLTNESA-N 1 0 458.558 4.502 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001359954851 1064722087 /nfs/dbraw/zinc/72/20/87/1064722087.db2.gz MBCJDHVJXYSGBK-DBXWQHBBSA-N 1 0 467.580 4.955 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3cccc4cccnc43)n2CC[N@H+](C)C(C)C)CC1 ZINC001359955257 1064723780 /nfs/dbraw/zinc/72/37/80/1064723780.db2.gz YHUXARUHEUGYKA-UHFFFAOYSA-N 1 0 464.658 4.865 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001359955285 1064724442 /nfs/dbraw/zinc/72/44/42/1064724442.db2.gz SPIZOHVKLBDSFN-ZJSXRUAMSA-N 1 0 469.674 4.716 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001359955317 1064724653 /nfs/dbraw/zinc/72/46/53/1064724653.db2.gz ZMWJXMOWAMOVKD-UHFFFAOYSA-N 1 0 478.106 4.679 20 0 JJADRO O=C(Cc1cc(Br)ccc1F)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001359957414 1064725916 /nfs/dbraw/zinc/72/59/16/1064725916.db2.gz SJPPMLMSANVGBV-IBGZPJMESA-N 1 0 453.783 4.955 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001359957973 1064726959 /nfs/dbraw/zinc/72/69/59/1064726959.db2.gz JBQKFYLGSMIPOT-UHFFFAOYSA-N 1 0 471.665 4.771 20 0 JJADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435386910 1064734320 /nfs/dbraw/zinc/73/43/20/1064734320.db2.gz OGWNCNAVNWMXFJ-LAUBAEHRSA-N 1 0 456.512 4.982 20 0 JJADRO CC(C)CCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001359965265 1064740377 /nfs/dbraw/zinc/74/03/77/1064740377.db2.gz WRZOAWPYNFEUSN-HXUWFJFHSA-N 1 0 490.490 4.835 20 0 JJADRO CC(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001359965366 1064740979 /nfs/dbraw/zinc/74/09/79/1064740979.db2.gz ZBAZQUVXHOCEQN-FQEVSTJZSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359970991 1064747005 /nfs/dbraw/zinc/74/70/05/1064747005.db2.gz KOQKDVOOXIKUBY-FQEVSTJZSA-N 1 0 465.484 4.649 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359971069 1064747611 /nfs/dbraw/zinc/74/76/11/1064747611.db2.gz MHIJHEJRFUTMEG-QZTJIDSGSA-N 1 0 465.484 4.886 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359971122 1064747670 /nfs/dbraw/zinc/74/76/70/1064747670.db2.gz NIZNVOCXGIIKNK-SFHVURJKSA-N 1 0 464.383 4.835 20 0 JJADRO Cc1ccccc1-c1cc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c2cnn(C(C)C)c2n1 ZINC001435418162 1064747570 /nfs/dbraw/zinc/74/75/70/1064747570.db2.gz YQDJJNOVOFNGGL-UHFFFAOYSA-N 1 0 459.569 4.989 20 0 JJADRO Cc1ccc2nc(COc3ccccc3C(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)cn2c1 ZINC001435426177 1064750955 /nfs/dbraw/zinc/75/09/55/1064750955.db2.gz YVDHLIZSNSHBSH-QFIPXVFZSA-N 1 0 456.590 4.862 20 0 JJADRO C[C@H](CCNC(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1)[N@H+](C)Cc1ccccc1 ZINC001435426321 1064751013 /nfs/dbraw/zinc/75/10/13/1064751013.db2.gz ZUFDZHQISSDXLT-GOSISDBHSA-N 1 0 455.002 4.724 20 0 JJADRO C[C@@H](CCNC(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1)[N@H+](C)Cc1ccccc1 ZINC001435426323 1064751659 /nfs/dbraw/zinc/75/16/59/1064751659.db2.gz ZUFDZHQISSDXLT-SFHVURJKSA-N 1 0 455.002 4.724 20 0 JJADRO CC(C)CN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1([NH+](C)C)CCSC1)C(C)C ZINC001359982588 1064758183 /nfs/dbraw/zinc/75/81/83/1064758183.db2.gz CLQQOSPIFPVEFL-DVECYGJZSA-N 1 0 463.667 4.865 20 0 JJADRO CC(C)CN(c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)CCCCC1)C1CCCC1 ZINC001359982543 1064758302 /nfs/dbraw/zinc/75/83/02/1064758302.db2.gz BLVAXDQEBSRZPT-UHFFFAOYSA-N 1 0 467.662 4.595 20 0 JJADRO CC(C)CN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC001359984566 1064762058 /nfs/dbraw/zinc/76/20/58/1064762058.db2.gz APIGIIJKDLPGBC-FQEVSTJZSA-N 1 0 460.066 4.972 20 0 JJADRO O=C(NCCOc1ncccc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001435449372 1064763533 /nfs/dbraw/zinc/76/35/33/1064763533.db2.gz AUPCUSYBRNDPKT-FCHUYYIVSA-N 1 0 470.400 4.799 20 0 JJADRO CC(C)CN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC001359993300 1064776725 /nfs/dbraw/zinc/77/67/25/1064776725.db2.gz QHUSFQPNLQJFKO-NHCUHLMSSA-N 1 0 475.653 4.755 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCC(O)(c3c(F)cccc3F)CC2)C1 ZINC001360007626 1064795322 /nfs/dbraw/zinc/79/53/22/1064795322.db2.gz FNBQHFJDDVQWAF-FQEVSTJZSA-N 1 0 475.628 4.536 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(CO)CC2)C1 ZINC001360007602 1064795396 /nfs/dbraw/zinc/79/53/96/1064795396.db2.gz FEZPZGGZSVGZEB-HSZRJFAPSA-N 1 0 467.702 4.819 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)C1 ZINC001360008208 1064796604 /nfs/dbraw/zinc/79/66/04/1064796604.db2.gz MYPOLLUNFPHBSV-RTBURBONSA-N 1 0 465.564 4.771 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)C1 ZINC001360008206 1064796773 /nfs/dbraw/zinc/79/67/73/1064796773.db2.gz MYPOLLUNFPHBSV-OALUTQOASA-N 1 0 465.564 4.771 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCCO[C@@H](C)C2)C1 ZINC001360008551 1064798292 /nfs/dbraw/zinc/79/82/92/1064798292.db2.gz SXPDOBYWJRCFCP-PMACEKPBSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360009419 1064798765 /nfs/dbraw/zinc/79/87/65/1064798765.db2.gz BCHGIWOFVUJCPF-YTFSRNRJSA-N 1 0 461.695 4.672 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001360010013 1064800712 /nfs/dbraw/zinc/80/07/12/1064800712.db2.gz ITUAWYRGCBJIOR-PKOBYXMFSA-N 1 0 496.519 4.610 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001360010425 1064801530 /nfs/dbraw/zinc/80/15/30/1064801530.db2.gz PRURJIZSFPNWHN-UFYCRDLUSA-N 1 0 457.585 4.666 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010187 1064801573 /nfs/dbraw/zinc/80/15/73/1064801573.db2.gz LYZUJTWKBRJNJJ-JTHBVZDNSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)C(C)C ZINC001360010525 1064802569 /nfs/dbraw/zinc/80/25/69/1064802569.db2.gz RDRYRQYWSLQCER-OAQYLSRUSA-N 1 0 455.647 4.913 20 0 JJADRO CN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435519541 1064802454 /nfs/dbraw/zinc/80/24/54/1064802454.db2.gz SCFKVIHUKQOSRZ-BJKOFHAPSA-N 1 0 451.611 4.766 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)C2)C1 ZINC001360010866 1064804387 /nfs/dbraw/zinc/80/43/87/1064804387.db2.gz XJWIKCQYDZDLIN-RJGXRXQPSA-N 1 0 488.721 4.607 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N(C)CC2CCCC2)C1 ZINC001360011408 1064805320 /nfs/dbraw/zinc/80/53/20/1064805320.db2.gz DDOZABQWEVMKLR-QFIPXVFZSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C)CC2)C1 ZINC001360011530 1064806548 /nfs/dbraw/zinc/80/65/48/1064806548.db2.gz FMPCYCUWPVRXBU-NRFANRHFSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(N3CC[C@@](O)(Cc4cccc(Cl)c4)C3)nnc2C(C)(C)C)C1 ZINC001360012058 1064807142 /nfs/dbraw/zinc/80/71/42/1064807142.db2.gz LOUJBDCUQDSZFX-AJTFRIOCSA-N 1 0 488.120 4.781 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC001360012331 1064809291 /nfs/dbraw/zinc/80/92/91/1064809291.db2.gz POQYGRYBRZZMHE-GMAHTHKFSA-N 1 0 462.642 4.535 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCSC(C)(C)C2)C1 ZINC001360012671 1064810209 /nfs/dbraw/zinc/81/02/09/1064810209.db2.gz UNUKEUDIAFUFQL-HSZRJFAPSA-N 1 0 455.716 4.763 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(F)(F)CC2)C1 ZINC001360012805 1064811040 /nfs/dbraw/zinc/81/10/40/1064811040.db2.gz WOBFNFVXGBQGPG-NJDAHSKKSA-N 1 0 467.649 4.800 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCc2ccccc2)CC1 ZINC001360014858 1064813749 /nfs/dbraw/zinc/81/37/49/1064813749.db2.gz KHBBFWJQVSVBQG-UHFFFAOYSA-N 1 0 499.501 4.847 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001360015991 1064814810 /nfs/dbraw/zinc/81/48/10/1064814810.db2.gz VMYANOIOCIBDHT-AZUAARDMSA-N 1 0 460.464 4.922 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccccc2Cl)CC1 ZINC001360017051 1064816282 /nfs/dbraw/zinc/81/62/82/1064816282.db2.gz BPMXTASXLSMZBT-UHFFFAOYSA-N 1 0 477.838 4.515 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001360018081 1064818264 /nfs/dbraw/zinc/81/82/64/1064818264.db2.gz MIWHFNQSMBAXRY-MSOLQXFVSA-N 1 0 496.519 4.752 20 0 JJADRO CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1 ZINC001360019489 1064822691 /nfs/dbraw/zinc/82/26/91/1064822691.db2.gz QRORAZWKIHFSLM-SFHVURJKSA-N 1 0 459.428 4.982 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC001360019743 1064822866 /nfs/dbraw/zinc/82/28/66/1064822866.db2.gz XTACVRFWAWZBQL-HXUWFJFHSA-N 1 0 451.792 4.654 20 0 JJADRO CC(C)CN1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1=O ZINC001360021819 1064825436 /nfs/dbraw/zinc/82/54/36/1064825436.db2.gz SQSZADLPFWAEPY-BHIFYINESA-N 1 0 498.691 4.534 20 0 JJADRO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCCCC2)[C@@H](C)C1=O ZINC001360022019 1064826153 /nfs/dbraw/zinc/82/61/53/1064826153.db2.gz XRWPMGQTPYZRGA-FQEVSTJZSA-N 1 0 487.092 4.556 20 0 JJADRO Cc1c(Br)cccc1CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001360028647 1064830173 /nfs/dbraw/zinc/83/01/73/1064830173.db2.gz OTNHFNHVGQFAQS-UHFFFAOYSA-N 1 0 457.334 4.909 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(F)(F)F)c2)CC1 ZINC001360029179 1064831027 /nfs/dbraw/zinc/83/10/27/1064831027.db2.gz JBNWGTFRGWCVMQ-UHFFFAOYSA-N 1 0 463.573 4.776 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)c2cccs2)CC1 ZINC001360031004 1064832806 /nfs/dbraw/zinc/83/28/06/1064832806.db2.gz TWULQIADWHIAST-UHFFFAOYSA-N 1 0 473.637 4.964 20 0 JJADRO C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001435561456 1064832865 /nfs/dbraw/zinc/83/28/65/1064832865.db2.gz DWQSJHFFOKGWIY-KHVXQDHOSA-N 1 0 455.602 4.669 20 0 JJADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001360031825 1064833697 /nfs/dbraw/zinc/83/36/97/1064833697.db2.gz FUENCFGDMSPKJZ-SFHVURJKSA-N 1 0 453.371 4.886 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001360033598 1064835904 /nfs/dbraw/zinc/83/59/04/1064835904.db2.gz FDOPBFKEEVJVHL-DMUCDLKOSA-N 1 0 488.721 4.824 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)COCc2ccccc2)CC1 ZINC001360033702 1064837216 /nfs/dbraw/zinc/83/72/16/1064837216.db2.gz IMKUBYSGLYXYOX-LGPLSSKUSA-N 1 0 497.728 4.828 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001435565098 1064837184 /nfs/dbraw/zinc/83/71/84/1064837184.db2.gz HWQQOESYYIGCKO-SFTDATJTSA-N 1 0 455.643 4.535 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H]2CCSC2)C1 ZINC001360034964 1064839375 /nfs/dbraw/zinc/83/93/75/1064839375.db2.gz IFLMTGSOGSNCIE-GOTSBHOMSA-N 1 0 471.715 4.541 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H]2C(C)C)C1 ZINC001360035513 1064841380 /nfs/dbraw/zinc/84/13/80/1064841380.db2.gz NRRLDAFMBOXBAC-QZTJIDSGSA-N 1 0 496.519 4.751 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001360035929 1064842269 /nfs/dbraw/zinc/84/22/69/1064842269.db2.gz RGKHQLIGPKGICN-AREMUKBSSA-N 1 0 497.728 4.993 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001360035930 1064842533 /nfs/dbraw/zinc/84/25/33/1064842533.db2.gz RGKHQLIGPKGICN-SANMLTNESA-N 1 0 497.728 4.993 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(CC3CCCC3)nnc2N(C)[C@@H](C)c2ccccc2F)C1 ZINC001360038205 1064849572 /nfs/dbraw/zinc/84/95/72/1064849572.db2.gz CJWOPINZTPFAPI-UNMCSNQZSA-N 1 0 457.638 4.704 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360038201 1064849887 /nfs/dbraw/zinc/84/98/87/1064849887.db2.gz CJWOPINZTPFAPI-IRLDBZIGSA-N 1 0 457.638 4.704 20 0 JJADRO C[C@@H]1C[C@@H](CCNC(=O)Cc2noc3ccc(Br)cc32)C[N@@H+]1Cc1ccccc1 ZINC001435585593 1064850278 /nfs/dbraw/zinc/85/02/78/1064850278.db2.gz KGTXJCZYFIAPOM-SJLPKXTDSA-N 1 0 456.384 4.550 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(C(C)C)n2C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC001360038771 1064850467 /nfs/dbraw/zinc/85/04/67/1064850467.db2.gz JMFQTLZDVKMIDF-VWLOTQADSA-N 1 0 496.700 4.617 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(CCCc3ccccc3)nnc2N(C)C2CCCCC2)C1 ZINC001360039043 1064852439 /nfs/dbraw/zinc/85/24/39/1064852439.db2.gz LTHMHVJFBZIDEU-VWLOTQADSA-N 1 0 453.675 4.579 20 0 JJADRO C[C@@H]1C[C@@H](CCNC(=O)C(F)(F)c2ccccc2Br)C[N@@H+]1Cc1ccccc1 ZINC001435587949 1064852774 /nfs/dbraw/zinc/85/27/74/1064852774.db2.gz TZBBFWKXOZJFDI-SJLPKXTDSA-N 1 0 451.355 4.958 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)C[N@@H+]1Cc1ccccc1 ZINC001435588516 1064853777 /nfs/dbraw/zinc/85/37/77/1064853777.db2.gz XYAWJETXDYNVIA-HKUYNNGSSA-N 1 0 455.396 4.642 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)/C=C/c2nc3ccccc3s2)ccc1Cl ZINC001435592653 1064858710 /nfs/dbraw/zinc/85/87/10/1064858710.db2.gz JQMSZDQUBQNPAB-VAWYXSNFSA-N 1 0 456.999 4.673 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ncoc2-c2ccc(C)cc2)ccc1Cl ZINC001435593544 1064859220 /nfs/dbraw/zinc/85/92/20/1064859220.db2.gz QCRJNQXLGFBTOL-UHFFFAOYSA-N 1 0 454.958 4.627 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001435593950 1064860019 /nfs/dbraw/zinc/86/00/19/1064860019.db2.gz RYBLFCBAIJSGCZ-FPCALVHFSA-N 1 0 459.638 4.619 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccccc3OCc3ccc(Cl)cc3)CC2)CC1 ZINC001435605203 1064868685 /nfs/dbraw/zinc/86/86/85/1064868685.db2.gz FDBWYPATFNJIPX-UHFFFAOYSA-N 1 0 456.030 4.550 20 0 JJADRO CCOc1c(Cl)cccc1CC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435613807 1064876921 /nfs/dbraw/zinc/87/69/21/1064876921.db2.gz KKDOAMVJVUCOQG-NRFANRHFSA-N 1 0 452.986 4.872 20 0 JJADRO CCCO[C@H](C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1C ZINC001435616622 1064879062 /nfs/dbraw/zinc/87/90/62/1064879062.db2.gz FRLWMHGSOMUIEN-DHLKQENFSA-N 1 0 450.558 4.884 20 0 JJADRO CCCO[C@H](C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1C ZINC001435616625 1064879396 /nfs/dbraw/zinc/87/93/96/1064879396.db2.gz FRLWMHGSOMUIEN-RDGATRHJSA-N 1 0 450.558 4.884 20 0 JJADRO COc1ccc(SCCCC(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001435616990 1064880012 /nfs/dbraw/zinc/88/00/12/1064880012.db2.gz MBGGVTJLDJMVOC-NRFANRHFSA-N 1 0 450.608 4.850 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC001360055410 1064885000 /nfs/dbraw/zinc/88/50/00/1064885000.db2.gz SRRLBHGISIGKRB-TUNNFDKTSA-N 1 0 459.704 4.972 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001360058772 1064895861 /nfs/dbraw/zinc/89/58/61/1064895861.db2.gz VRFPTUXFBJRECY-OFNKIYASSA-N 1 0 474.049 4.585 20 0 JJADRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(Br)cc3Br)CC2)CC1 ZINC001435640903 1064901477 /nfs/dbraw/zinc/90/14/77/1064901477.db2.gz HWLNYDYDBNHRDM-UHFFFAOYSA-N 1 0 458.238 4.985 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360061773 1064901756 /nfs/dbraw/zinc/90/17/56/1064901756.db2.gz BNYRORIMFJDPJL-SFTDATJTSA-N 1 0 475.628 4.663 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001360063889 1064904615 /nfs/dbraw/zinc/90/46/15/1064904615.db2.gz SUZSWEQHQGOHCL-NHCUHLMSSA-N 1 0 475.628 4.519 20 0 JJADRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1F ZINC001435655945 1064912454 /nfs/dbraw/zinc/91/24/54/1064912454.db2.gz GAYUCVCMUTVNAK-CQOQZXRMSA-N 1 0 451.586 4.841 20 0 JJADRO CC(C)COCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360067575 1064912881 /nfs/dbraw/zinc/91/28/81/1064912881.db2.gz ZQWABBROZLQSOC-UHFFFAOYSA-N 1 0 461.054 4.511 20 0 JJADRO C[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001435658311 1064913587 /nfs/dbraw/zinc/91/35/87/1064913587.db2.gz YIXGNIGPSDOEQV-RJJVWVDVSA-N 1 0 457.412 4.633 20 0 JJADRO CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC001435661959 1064916374 /nfs/dbraw/zinc/91/63/74/1064916374.db2.gz KTZGYDXPDZCUAH-ZGWPDQKKSA-N 1 0 450.579 4.665 20 0 JJADRO CC(C)COCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360073432 1064919312 /nfs/dbraw/zinc/91/93/12/1064919312.db2.gz LTYMDETWHCNPSE-UHFFFAOYSA-N 1 0 462.082 4.896 20 0 JJADRO CC(C)CSCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001360076114 1064923647 /nfs/dbraw/zinc/92/36/47/1064923647.db2.gz FSPFSFFPMGTFHC-QFIPXVFZSA-N 1 0 481.714 4.559 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C[C@H]2CCC3(CCOCC3)CO2)cc1)C[C@H]1CCCCO1 ZINC001435672340 1064925825 /nfs/dbraw/zinc/92/58/25/1064925825.db2.gz FTEQHRLUCCTERM-JWQCQUIFSA-N 1 0 458.643 4.771 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001435675415 1064927919 /nfs/dbraw/zinc/92/79/19/1064927919.db2.gz VSQSUSANQBTIAQ-RPWUZVMVSA-N 1 0 457.659 4.832 20 0 JJADRO CC(C)CSCCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360083098 1064944509 /nfs/dbraw/zinc/94/45/09/1064944509.db2.gz WWOYAMUXOFTBHL-DEOSSOPVSA-N 1 0 464.683 4.830 20 0 JJADRO CC(C)CSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001360083110 1064944783 /nfs/dbraw/zinc/94/47/83/1064944783.db2.gz XDFNEXKYNOKICH-QFIPXVFZSA-N 1 0 456.704 4.822 20 0 JJADRO CC(C)CSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360086010 1064948832 /nfs/dbraw/zinc/94/88/32/1064948832.db2.gz OAKWPKAWRVUXHP-GMKZXUHWSA-N 1 0 471.715 4.661 20 0 JJADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001360088924 1064954791 /nfs/dbraw/zinc/95/47/91/1064954791.db2.gz CYYUWJNLKWHLQH-RUZDIDTESA-N 1 0 494.728 4.666 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)/C=C\c3cnc(C(C)(C)C)s3)cc2)C[C@H]1C ZINC001435723556 1064956121 /nfs/dbraw/zinc/95/61/21/1064956121.db2.gz JTYHUWZSTGTSGG-RAKWIPDMSA-N 1 0 455.668 4.779 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)/C=C\c3cnc(C(C)(C)C)s3)cc2)C[C@H]1C ZINC001435723555 1064956373 /nfs/dbraw/zinc/95/63/73/1064956373.db2.gz JTYHUWZSTGTSGG-AOVBRVLXSA-N 1 0 455.668 4.779 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccnc(Oc4ccc(F)cc4F)c3)cc2)CC1 ZINC001435724520 1064957068 /nfs/dbraw/zinc/95/70/68/1064957068.db2.gz DMCOGPMGIXWYHI-UHFFFAOYSA-N 1 0 452.505 4.935 20 0 JJADRO Cc1cc(C(=O)NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C1CCCCC1 ZINC001435725733 1064957527 /nfs/dbraw/zinc/95/75/27/1064957527.db2.gz VEMJRCKAFRSEQT-OYRHEFFESA-N 1 0 452.643 4.636 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC=CO2)CC1 ZINC001360092517 1064961232 /nfs/dbraw/zinc/96/12/32/1064961232.db2.gz IKCFPAYNXCVQRY-HXUWFJFHSA-N 1 0 462.013 4.987 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC001360092549 1064962045 /nfs/dbraw/zinc/96/20/45/1064962045.db2.gz JMYGFZISYOUREC-UHFFFAOYSA-N 1 0 467.637 4.505 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001360092689 1064962871 /nfs/dbraw/zinc/96/28/71/1064962871.db2.gz OIXJXRHWSFQSOY-HSZRJFAPSA-N 1 0 496.744 4.520 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360092913 1064964680 /nfs/dbraw/zinc/96/46/80/1064964680.db2.gz XFZDQZXMJFOSAT-UHFFFAOYSA-N 1 0 471.690 4.591 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001360094651 1064966515 /nfs/dbraw/zinc/96/65/15/1064966515.db2.gz HSOWQKBVTYSMHJ-QHCPKHFHSA-N 1 0 488.721 4.892 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)C(C)C)CC1 ZINC001360094742 1064966640 /nfs/dbraw/zinc/96/66/40/1064966640.db2.gz KWBZGRDCUSCFJX-UHFFFAOYSA-N 1 0 479.673 4.833 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2CCN(C)c2ccccc2)CC1 ZINC001360095404 1064970031 /nfs/dbraw/zinc/97/00/31/1064970031.db2.gz HXLBDPFNAORUOR-UHFFFAOYSA-N 1 0 452.691 4.704 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001360096098 1064971572 /nfs/dbraw/zinc/97/15/72/1064971572.db2.gz XATQZAZZAFNPSX-UHFFFAOYSA-N 1 0 467.555 4.993 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CCSC(F)(F)F)CC1 ZINC001360096146 1064972438 /nfs/dbraw/zinc/97/24/38/1064972438.db2.gz YXJNEHAUFSFUKH-UHFFFAOYSA-N 1 0 473.584 4.818 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1(c2ccccc2)CC1 ZINC001360097476 1064974516 /nfs/dbraw/zinc/97/45/16/1064974516.db2.gz ISPGOPBITOQGMQ-UHFFFAOYSA-N 1 0 453.034 4.892 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001360097503 1064974736 /nfs/dbraw/zinc/97/47/36/1064974736.db2.gz JJDDAODJPSVWTB-OAQYLSRUSA-N 1 0 477.600 4.530 20 0 JJADRO Cc1cc(Br)c(CC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC001435750015 1064974790 /nfs/dbraw/zinc/97/47/90/1064974790.db2.gz WPFBHIMJYSQTOG-YJYMSZOUSA-N 1 0 459.812 4.963 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3cscn3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435750525 1064975410 /nfs/dbraw/zinc/97/54/10/1064975410.db2.gz RLRWGAWRVSTVGQ-HTAPYJJXSA-N 1 0 459.974 4.937 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360097593 1064975424 /nfs/dbraw/zinc/97/54/24/1064975424.db2.gz MSPQHBSGCMRTJE-INIZCTEOSA-N 1 0 454.446 4.986 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001360097520 1064975598 /nfs/dbraw/zinc/97/55/98/1064975598.db2.gz JVOCJOGFPARARG-HSZRJFAPSA-N 1 0 497.728 4.995 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC001360097521 1064975756 /nfs/dbraw/zinc/97/57/56/1064975756.db2.gz JVOCJOGFPARARG-QHCPKHFHSA-N 1 0 497.728 4.995 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001360097653 1064975777 /nfs/dbraw/zinc/97/57/77/1064975777.db2.gz OYWYTJSQQLBYAJ-RTWAWAEBSA-N 1 0 450.002 4.616 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001360097651 1064975846 /nfs/dbraw/zinc/97/58/46/1064975846.db2.gz OYWYTJSQQLBYAJ-LEWJYISDSA-N 1 0 450.002 4.616 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001360098141 1064976993 /nfs/dbraw/zinc/97/69/93/1064976993.db2.gz HXNSKGDEDRSVRF-XMMPIXPASA-N 1 0 483.060 4.674 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001360097928 1064977062 /nfs/dbraw/zinc/97/70/62/1064977062.db2.gz FJFFFZRJAGQGOC-VWNXMTODSA-N 1 0 450.631 4.608 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCc2sccc2C1 ZINC001360098104 1064977483 /nfs/dbraw/zinc/97/74/83/1064977483.db2.gz YMROYHXMPADUCI-UHFFFAOYSA-N 1 0 477.476 4.780 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001360099642 1064978752 /nfs/dbraw/zinc/97/87/52/1064978752.db2.gz AGZCAVNMUDUTDL-OAQYLSRUSA-N 1 0 494.663 4.519 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001360099855 1064979642 /nfs/dbraw/zinc/97/96/42/1064979642.db2.gz CSYABFOAEHLYHC-ROUUACIJSA-N 1 0 468.067 4.543 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001360100863 1064979997 /nfs/dbraw/zinc/97/99/97/1064979997.db2.gz XHFINSGXHHHKQJ-UHFFFAOYSA-N 1 0 488.080 4.570 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360100310 1064980174 /nfs/dbraw/zinc/98/01/74/1064980174.db2.gz KBNRZHREVUQEKF-VSKRKVRLSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001360103187 1064982597 /nfs/dbraw/zinc/98/25/97/1064982597.db2.gz BKPGULHXHSYALZ-VSKRKVRLSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CCOc2ccccc2)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001360103225 1064982978 /nfs/dbraw/zinc/98/29/78/1064982978.db2.gz CMQNOPXMGZSAHR-UHFFFAOYSA-N 1 0 465.642 4.812 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001360103571 1064983087 /nfs/dbraw/zinc/98/30/87/1064983087.db2.gz QVBPGNLUDYGNLL-ISJGIBHGSA-N 1 0 467.702 4.996 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1ccco1 ZINC001360103497 1064983244 /nfs/dbraw/zinc/98/32/44/1064983244.db2.gz NQQKORCAIVCRLP-HBMCJLEFSA-N 1 0 486.661 4.714 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(C1)CCOCC2 ZINC001360103353 1064983461 /nfs/dbraw/zinc/98/34/61/1064983461.db2.gz IYZGUEUREWCWGM-UHFFFAOYSA-N 1 0 478.106 4.961 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CCCc2ccccc2)nnc1N1CCCC2(CCOCC2)C1 ZINC001360103722 1064984032 /nfs/dbraw/zinc/98/40/32/1064984032.db2.gz VUBPIHPXZJWFFB-UHFFFAOYSA-N 1 0 453.675 4.581 20 0 JJADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)c1ccc(F)cc1OC(F)F ZINC001435768398 1064984202 /nfs/dbraw/zinc/98/42/02/1064984202.db2.gz MNFIQACILXGOLV-CWFSZBLJSA-N 1 0 475.536 4.977 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360103941 1064984922 /nfs/dbraw/zinc/98/49/22/1064984922.db2.gz DYCVHKJCKBKKFW-AWEZNQCLSA-N 1 0 474.369 4.668 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC(c2nccs2)CC1 ZINC001360104361 1064985952 /nfs/dbraw/zinc/98/59/52/1064985952.db2.gz PVAXYYOYOBLCAJ-UHFFFAOYSA-N 1 0 495.516 4.950 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360104449 1064986078 /nfs/dbraw/zinc/98/60/78/1064986078.db2.gz RQFUBXHEUXYCAH-UHFFFAOYSA-N 1 0 480.398 4.888 20 0 JJADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001435774707 1064986855 /nfs/dbraw/zinc/98/68/55/1064986855.db2.gz KLCKXORZGKIYJM-UHFFFAOYSA-N 1 0 459.432 4.529 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 ZINC001360106431 1064987486 /nfs/dbraw/zinc/98/74/86/1064987486.db2.gz CNPWKDCYQRJVBO-FQEVSTJZSA-N 1 0 475.996 4.856 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001360106768 1064988803 /nfs/dbraw/zinc/98/88/03/1064988803.db2.gz QJWLQQSDWPRCSJ-UHFFFAOYSA-N 1 0 494.728 4.812 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC001360107039 1064989641 /nfs/dbraw/zinc/98/96/41/1064989641.db2.gz ZXUBGBKELDIUPI-QFIPXVFZSA-N 1 0 483.701 4.605 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001360107689 1064989820 /nfs/dbraw/zinc/98/98/20/1064989820.db2.gz VYYNGAVISUDCEZ-UHFFFAOYSA-N 1 0 495.981 4.612 20 0 JJADRO CC(C)[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001360109853 1064991803 /nfs/dbraw/zinc/99/18/03/1064991803.db2.gz GALHSYHFRMNJRJ-NRFANRHFSA-N 1 0 469.630 4.509 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001360112834 1064993880 /nfs/dbraw/zinc/99/38/80/1064993880.db2.gz MJXHAFZNKDTCMO-LJQANCHMSA-N 1 0 496.483 4.757 20 0 JJADRO CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cccc(F)c1)C(C)C ZINC001360123005 1065012770 /nfs/dbraw/zinc/01/27/70/1065012770.db2.gz BDKODPJGNKMVPQ-HSZRJFAPSA-N 1 0 470.637 4.504 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1CC[NH+]1CCCCCC1 ZINC001360123020 1065013515 /nfs/dbraw/zinc/01/35/15/1065013515.db2.gz BLZVRLOYWRSHNZ-UHFFFAOYSA-N 1 0 486.711 4.622 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C)C(C)C ZINC001360123718 1065014729 /nfs/dbraw/zinc/01/47/29/1065014729.db2.gz LVYCTDQUTBXBIZ-HDICACEKSA-N 1 0 463.468 4.637 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nccs2)C1)C(C)C ZINC001360123811 1065015329 /nfs/dbraw/zinc/01/53/29/1065015329.db2.gz NZIFISYMKJNSHK-IBGZPJMESA-N 1 0 490.077 4.537 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001360124027 1065015663 /nfs/dbraw/zinc/01/56/63/1065015663.db2.gz SYFCBTUQLUPGLE-QHCPKHFHSA-N 1 0 484.689 4.948 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC001360125527 1065018305 /nfs/dbraw/zinc/01/83/05/1065018305.db2.gz NMUDSNNOBOFYOA-PXDATVDWSA-N 1 0 480.632 4.955 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCCO[C@H](c2ccccc2)C1)C(C)C ZINC001360125781 1065018725 /nfs/dbraw/zinc/01/87/25/1065018725.db2.gz VRSFVEYZZTUMIE-DEOSSOPVSA-N 1 0 450.631 4.750 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)o1)C(C)C ZINC001360125903 1065018896 /nfs/dbraw/zinc/01/88/96/1065018896.db2.gz YUWHTWDUTCJJLL-UHFFFAOYSA-N 1 0 477.451 4.784 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCOC2)nnc1N1CCc2cccc(Br)c2C1)C(C)C ZINC001360126344 1065019960 /nfs/dbraw/zinc/01/99/60/1065019960.db2.gz OJBUNAMGUFUARG-HXUWFJFHSA-N 1 0 490.490 4.616 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2CCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C(C)C ZINC001360126474 1065020352 /nfs/dbraw/zinc/02/03/52/1065020352.db2.gz RYMBYRITXCVBTF-OAQYLSRUSA-N 1 0 492.709 4.522 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)C(C)C ZINC001360128114 1065021539 /nfs/dbraw/zinc/02/15/39/1065021539.db2.gz AGDZPVOVOIQLPP-HCGNOCCLSA-N 1 0 467.702 4.959 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1)C(C)C ZINC001360128270 1065022013 /nfs/dbraw/zinc/02/20/13/1065022013.db2.gz CMRLHHCGBLCEDC-DEOSSOPVSA-N 1 0 461.658 4.564 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCOCC2)C1)C(C)C ZINC001360128175 1065022032 /nfs/dbraw/zinc/02/20/32/1065022032.db2.gz CMFMYJIVVPTWNQ-UHFFFAOYSA-N 1 0 483.701 4.747 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(C)(C)C)C1)C(C)C ZINC001360128119 1065022077 /nfs/dbraw/zinc/02/20/77/1065022077.db2.gz AMFYFUVTYNSPNJ-NRFANRHFSA-N 1 0 479.616 4.917 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCOC2)C1)C(C)C ZINC001360128115 1065022214 /nfs/dbraw/zinc/02/22/14/1065022214.db2.gz AHYCFJMNKNQRQK-HHHXNRCGSA-N 1 0 453.675 4.978 20 0 JJADRO CC(C)[NH+](CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(CC(F)(F)F)CC1)C(C)C ZINC001360128433 1065022620 /nfs/dbraw/zinc/02/26/20/1065022620.db2.gz FIOUAQUYOABYPI-UHFFFAOYSA-N 1 0 491.606 4.620 20 0 JJADRO C[C@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435851352 1065022923 /nfs/dbraw/zinc/02/29/23/1065022923.db2.gz IMGIAMSDBCAWFT-NWDGAFQWSA-N 1 0 451.302 4.990 20 0 JJADRO C[C@@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435851347 1065023101 /nfs/dbraw/zinc/02/31/01/1065023101.db2.gz IMGIAMSDBCAWFT-NEPJUHHUSA-N 1 0 451.302 4.990 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)C(C)C ZINC001360128805 1065023878 /nfs/dbraw/zinc/02/38/78/1065023878.db2.gz JIQRZQJYIGMCPM-UHFFFAOYSA-N 1 0 484.595 4.785 20 0 JJADRO C[C@H](NC(=O)Cc1ccc(Br)c(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435852452 1065024149 /nfs/dbraw/zinc/02/41/49/1065024149.db2.gz OUFCTGHCGPNYOA-ZFWWWQNUSA-N 1 0 458.238 4.523 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001360129034 1065024279 /nfs/dbraw/zinc/02/42/79/1065024279.db2.gz QZEZPTSYPVZMKL-NRFANRHFSA-N 1 0 491.080 4.821 20 0 JJADRO CC(C)n1nc(-c2nnc(N(C)CC(C)(C)C)n2CC[NH+](C(C)C)C(C)C)c2ccccc2c1=O ZINC001360129120 1065024499 /nfs/dbraw/zinc/02/44/99/1065024499.db2.gz NOKZUTWTJAUHEA-UHFFFAOYSA-N 1 0 481.689 4.837 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2Cl)nnc1N1CCC(OC[C@H]2CCOC2)CC1)C(C)C ZINC001360129359 1065024725 /nfs/dbraw/zinc/02/47/25/1065024725.db2.gz VISCGLMVWKRJGS-NRFANRHFSA-N 1 0 490.092 4.739 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]1c1cnn(C)c1)C(C)C ZINC001360129495 1065025234 /nfs/dbraw/zinc/02/52/34/1065025234.db2.gz WEBLCAUTPNPAPU-QFIPXVFZSA-N 1 0 487.599 4.740 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1)C(C)C ZINC001360129421 1065025249 /nfs/dbraw/zinc/02/52/49/1065025249.db2.gz WEBLCAUTPNPAPU-JOCHJYFZSA-N 1 0 487.599 4.740 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)c[nH]2)nnc1N(CC1CC1)C1CCC1)C(C)C ZINC001360129621 1065025261 /nfs/dbraw/zinc/02/52/61/1065025261.db2.gz YIOJZAUAVZPSDE-UHFFFAOYSA-N 1 0 463.468 4.923 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C(C)C ZINC001360131631 1065026713 /nfs/dbraw/zinc/02/67/13/1065026713.db2.gz BPWNDQQCOAIROI-VQTJNVASSA-N 1 0 497.610 4.695 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCC(CC(F)(F)F)CC1)C(C)C ZINC001360132214 1065027241 /nfs/dbraw/zinc/02/72/41/1065027241.db2.gz GXDKFAPIQSRPGO-UHFFFAOYSA-N 1 0 452.569 4.552 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1)C(C)C ZINC001360132046 1065027348 /nfs/dbraw/zinc/02/73/48/1065027348.db2.gz FRYRPMWELXQMOS-JIMJEQGWSA-N 1 0 483.701 4.895 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1)C(C)C ZINC001360132779 1065027640 /nfs/dbraw/zinc/02/76/40/1065027640.db2.gz MBRGUAPFFWJSNJ-UHFFFAOYSA-N 1 0 466.674 4.910 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CCC(OCc2ccccc2)CC1)C(C)C ZINC001360133305 1065028147 /nfs/dbraw/zinc/02/81/47/1065028147.db2.gz QYWKXHRJPMVJFC-RUZDIDTESA-N 1 0 469.674 4.824 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1)C(C)C ZINC001360133534 1065029064 /nfs/dbraw/zinc/02/90/64/1065029064.db2.gz UNDVOTHSVVKACO-VXKWHMMOSA-N 1 0 489.655 4.909 20 0 JJADRO CC(C)[NH+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1)C(C)C ZINC001360134020 1065029527 /nfs/dbraw/zinc/02/95/27/1065029527.db2.gz BRXFWXQWUREQGW-XZOQPEGZSA-N 1 0 476.065 4.777 20 0 JJADRO CC(C)[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)C(C)C ZINC001360134002 1065029667 /nfs/dbraw/zinc/02/96/67/1065029667.db2.gz BGDKTVBRIXDKHC-NRFANRHFSA-N 1 0 498.672 4.521 20 0 JJADRO CC(C)[NH+](CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cccs2)CC1)C(C)C ZINC001360134326 1065030588 /nfs/dbraw/zinc/03/05/88/1065030588.db2.gz JTRSKJXDPDGEQP-UHFFFAOYSA-N 1 0 486.661 4.503 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCCCCC1)C(C)C ZINC001360134593 1065030617 /nfs/dbraw/zinc/03/06/17/1065030617.db2.gz LWUJZEQPESHOPK-SZPZYZBQSA-N 1 0 476.710 4.938 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2)C1)C(C)C ZINC001360134939 1065031150 /nfs/dbraw/zinc/03/11/50/1065031150.db2.gz PYTBNYMXEYPYGM-UBFVSLLYSA-N 1 0 483.701 4.893 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(O)cc2C1)C(C)C ZINC001360134759 1065031230 /nfs/dbraw/zinc/03/12/30/1065031230.db2.gz OEXBTMXDYSFHNF-DNQXCXABSA-N 1 0 469.674 4.584 20 0 JJADRO CC(C)[NH+](CCn1c(Cn2ccc3ccccc32)nnc1N1CCSC(C)(C)C1)C(C)C ZINC001360135069 1065031729 /nfs/dbraw/zinc/03/17/29/1065031729.db2.gz RCNZFQBBKRTVOZ-UHFFFAOYSA-N 1 0 454.688 4.732 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC001360137342 1065033006 /nfs/dbraw/zinc/03/30/06/1065033006.db2.gz WJKWNIRRNRRWPT-GOSISDBHSA-N 1 0 489.636 4.641 20 0 JJADRO CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435865431 1065033436 /nfs/dbraw/zinc/03/34/36/1065033436.db2.gz MJDZDYGIRDCFGK-LOSJGSFVSA-N 1 0 455.046 4.811 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)cc2)C1 ZINC001360138497 1065034294 /nfs/dbraw/zinc/03/42/94/1065034294.db2.gz HCHCFSHVXNZKCP-LJQANCHMSA-N 1 0 471.447 4.793 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360138824 1065035120 /nfs/dbraw/zinc/03/51/20/1065035120.db2.gz KHBDBKVGZWEVAS-BBWFWOEESA-N 1 0 482.492 4.503 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001360139315 1065035812 /nfs/dbraw/zinc/03/58/12/1065035812.db2.gz PXFOFMFNJYCFDV-RTBURBONSA-N 1 0 499.025 4.792 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(N(C)Cc3cc4c(cc3OC(F)F)OCO4)nnc2C(C)(C)C)C1 ZINC001360140295 1065037490 /nfs/dbraw/zinc/03/74/90/1065037490.db2.gz BMAJWPNCMRALRY-QGZVFWFLSA-N 1 0 493.599 4.663 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(N3CCN(c4ncc(Cl)cc4Cl)CC3)nnc2C(C)(C)C)C1 ZINC001360141058 1065039052 /nfs/dbraw/zinc/03/90/52/1065039052.db2.gz LQHQAIAOOVBNBE-GOSISDBHSA-N 1 0 494.515 4.724 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@H]2C)C1 ZINC001360141587 1065040434 /nfs/dbraw/zinc/04/04/34/1065040434.db2.gz QMSYJKPFRXXNOA-RTBURBONSA-N 1 0 464.079 4.573 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001360141589 1065040558 /nfs/dbraw/zinc/04/05/58/1065040558.db2.gz QMYJJDZFERLLRS-NSHGMRRFSA-N 1 0 451.631 4.778 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CCCOc2ccccc2)C1 ZINC001360142448 1065042535 /nfs/dbraw/zinc/04/25/35/1065042535.db2.gz WNEBXHAYJNMEQJ-ISKFKSNPSA-N 1 0 455.647 4.545 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@H]2C)C1 ZINC001360142487 1065042675 /nfs/dbraw/zinc/04/26/75/1065042675.db2.gz XIWDEIJYZYBJTF-RTBURBONSA-N 1 0 476.463 4.729 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@H]2C)C1 ZINC001360142484 1065042703 /nfs/dbraw/zinc/04/27/03/1065042703.db2.gz XIWDEIJYZYBJTF-MOPGFXCFSA-N 1 0 476.463 4.729 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)C1 ZINC001360142760 1065043120 /nfs/dbraw/zinc/04/31/20/1065043120.db2.gz ZNVQVDBXGGCJLD-GOSISDBHSA-N 1 0 492.437 4.606 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccsc2)CC1 ZINC001360143314 1065043689 /nfs/dbraw/zinc/04/36/89/1065043689.db2.gz DRSVNBCNQNJOKX-UHFFFAOYSA-N 1 0 460.445 4.738 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCSC(F)(F)F)CC1 ZINC001360143679 1065044461 /nfs/dbraw/zinc/04/44/61/1065044461.db2.gz LBXMMVZLZDOLDE-UHFFFAOYSA-N 1 0 498.438 4.943 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C)CC2)CC1 ZINC001360143643 1065044758 /nfs/dbraw/zinc/04/47/58/1065044758.db2.gz KKZWJRZYPZVVIT-UHFFFAOYSA-N 1 0 450.400 4.567 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2(C)CC2)CC1 ZINC001360144116 1065044979 /nfs/dbraw/zinc/04/49/79/1065044979.db2.gz VFKKXSAZEYFGOL-UHFFFAOYSA-N 1 0 464.427 4.957 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001360143994 1065045300 /nfs/dbraw/zinc/04/53/00/1065045300.db2.gz QTJAITRPEKAAJO-GAJHUEQPSA-N 1 0 466.457 4.724 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001360144079 1065045559 /nfs/dbraw/zinc/04/55/59/1065045559.db2.gz ULGHVDSUBYZCLT-UHFFFAOYSA-N 1 0 491.080 4.824 20 0 JJADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c1 ZINC001435889530 1065046681 /nfs/dbraw/zinc/04/66/81/1065046681.db2.gz OJQJSLMTYXHWSZ-UHFFFAOYSA-N 1 0 453.608 4.810 20 0 JJADRO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001435890741 1065048079 /nfs/dbraw/zinc/04/80/79/1065048079.db2.gz RZQCAHDSGFLKOP-NDEPHWFRSA-N 1 0 457.618 4.734 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2OC2CCCC2)CC1 ZINC001360146508 1065048357 /nfs/dbraw/zinc/04/83/57/1065048357.db2.gz NRSKASAHCFTAOC-UHFFFAOYSA-N 1 0 454.663 4.552 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001360147164 1065049205 /nfs/dbraw/zinc/04/92/05/1065049205.db2.gz KFUMYFROALLYAU-OAQYLSRUSA-N 1 0 478.106 4.959 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)c2cccs2)CC1 ZINC001360146926 1065049313 /nfs/dbraw/zinc/04/93/13/1065049313.db2.gz AIRFRKUVHNYPII-UHFFFAOYSA-N 1 0 467.683 4.859 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2OC(F)F)CC1 ZINC001360147347 1065049905 /nfs/dbraw/zinc/04/99/05/1065049905.db2.gz RDEAITDSXADFKC-IFMALSPDSA-N 1 0 491.627 4.767 20 0 JJADRO O=C(CCSc1ccccc1Br)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360147734 1065050740 /nfs/dbraw/zinc/05/07/40/1065050740.db2.gz GRKKGUXTNXWIIS-UHFFFAOYSA-N 1 0 457.503 4.799 20 0 JJADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001360147807 1065050838 /nfs/dbraw/zinc/05/08/38/1065050838.db2.gz ILQDOZKCXCCVRD-UHFFFAOYSA-N 1 0 453.439 4.661 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCS2)CC1 ZINC001360149283 1065052280 /nfs/dbraw/zinc/05/22/80/1065052280.db2.gz IWKHLRIXNHXHPE-IBGZPJMESA-N 1 0 464.477 4.524 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001360150258 1065053992 /nfs/dbraw/zinc/05/39/92/1065053992.db2.gz WWSCHXQZKNMGAA-HNNXBMFYSA-N 1 0 486.380 4.813 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@H](C)C1 ZINC001360150598 1065054300 /nfs/dbraw/zinc/05/43/00/1065054300.db2.gz HASMUDJKJKKEIQ-NVXWUHKLSA-N 1 0 457.562 4.501 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001360150557 1065054526 /nfs/dbraw/zinc/05/45/26/1065054526.db2.gz GFNUPVRYFBFNID-DNVCBOLYSA-N 1 0 453.505 4.536 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001360150559 1065054588 /nfs/dbraw/zinc/05/45/88/1065054588.db2.gz GFNUPVRYFBFNID-KXBFYZLASA-N 1 0 453.505 4.536 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)C(C)C)CC1 ZINC001360152507 1065055673 /nfs/dbraw/zinc/05/56/73/1065055673.db2.gz NLCWJKMCQVVCBH-NRFANRHFSA-N 1 0 476.710 4.605 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)c3cccs3)CC2)CC1 ZINC001360155947 1065057433 /nfs/dbraw/zinc/05/74/33/1065057433.db2.gz LXQFAJVMIHKXJP-UHFFFAOYSA-N 1 0 472.747 4.610 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(C(C)(C)C)n3[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC001360156170 1065058058 /nfs/dbraw/zinc/05/80/58/1065058058.db2.gz SSLJGLLPKPCANQ-FPOVZHCZSA-N 1 0 484.655 4.864 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC001360182482 1065069178 /nfs/dbraw/zinc/06/91/78/1065069178.db2.gz SYAOVYLPWUZVOH-JYRVWZFOSA-N 1 0 455.986 4.558 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001545894315 1065071987 /nfs/dbraw/zinc/07/19/87/1065071987.db2.gz UFUHSIZEJGSHMB-HXUWFJFHSA-N 1 0 472.703 4.722 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001360203480 1065079253 /nfs/dbraw/zinc/07/92/53/1065079253.db2.gz GTMWGGFYMVHZEB-GMAHTHKFSA-N 1 0 472.722 4.724 20 0 JJADRO CC(C)c1cccc(-c2ccc(C(=O)NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)o2)c1 ZINC001360210761 1065081456 /nfs/dbraw/zinc/08/14/56/1065081456.db2.gz ONGLLRWLKQPITP-DEOSSOPVSA-N 1 0 459.590 4.697 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001545894475 1065081834 /nfs/dbraw/zinc/08/18/34/1065081834.db2.gz XIOCGDCHJUILEV-LADGPHEKSA-N 1 0 468.690 4.680 20 0 JJADRO CCc1c(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cnn1-c1cccc(Cl)c1 ZINC001360213759 1065083266 /nfs/dbraw/zinc/08/32/66/1065083266.db2.gz KLIOPHSXGGKRCR-UHFFFAOYSA-N 1 0 459.034 4.632 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1CC[NH+](C(C)C)C(C)C ZINC001360216912 1065084777 /nfs/dbraw/zinc/08/47/77/1065084777.db2.gz WUWAIHFHROWCAN-UHFFFAOYSA-N 1 0 498.716 4.523 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC001360249075 1065098278 /nfs/dbraw/zinc/09/82/78/1065098278.db2.gz XPNKNFBVIAHUKL-NFBKMPQASA-N 1 0 475.511 4.622 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2cccc(F)c2OC(F)(F)F)c1 ZINC001360249076 1065098336 /nfs/dbraw/zinc/09/83/36/1065098336.db2.gz XTRWBQALWWYEAG-UHFFFAOYSA-N 1 0 453.436 4.791 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC001435996054 1065099471 /nfs/dbraw/zinc/09/94/71/1065099471.db2.gz XYGBLFYSBZOYMZ-IBGZPJMESA-N 1 0 453.808 4.998 20 0 JJADRO O=C(Nc1cccc(OC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1)c1ccco1 ZINC001360252427 1065100311 /nfs/dbraw/zinc/10/03/11/1065100311.db2.gz JTKKOPMPKIJAKA-HSZRJFAPSA-N 1 0 458.436 4.892 20 0 JJADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360274587 1065115268 /nfs/dbraw/zinc/11/52/68/1065115268.db2.gz NLJYIGDQJCFPKF-UHFFFAOYSA-N 1 0 486.730 4.501 20 0 JJADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360275057 1065115814 /nfs/dbraw/zinc/11/58/14/1065115814.db2.gz WXOCSFYCEJEYLZ-NRFANRHFSA-N 1 0 482.698 4.568 20 0 JJADRO COC(=O)NCc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001360279307 1065121511 /nfs/dbraw/zinc/12/15/11/1065121511.db2.gz XSFJNYQEECOBBL-IZZNHLLZSA-N 1 0 457.574 4.705 20 0 JJADRO C[C@H](CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)[N@H+](C)Cc1ccccc1 ZINC001360281577 1065122193 /nfs/dbraw/zinc/12/21/93/1065122193.db2.gz GRBYYGMXRZPTLS-MRXNPFEDSA-N 1 0 457.405 4.918 20 0 JJADRO CC1CCC([NH+]2CCN(C(=O)c3csc(-c4ccc(Br)s4)n3)CC2)CC1 ZINC001360294243 1065128868 /nfs/dbraw/zinc/12/88/68/1065128868.db2.gz FOQDCAMIRPPNJW-UHFFFAOYSA-N 1 0 454.459 4.971 20 0 JJADRO CC(=O)N(Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1)C(C)C ZINC001360299040 1065132358 /nfs/dbraw/zinc/13/23/58/1065132358.db2.gz ANEGRCVQCHDXFY-WUFINQPMSA-N 1 0 470.617 4.693 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360304598 1065137949 /nfs/dbraw/zinc/13/79/49/1065137949.db2.gz CFOURINLLQVZSH-DLBZAZTESA-N 1 0 494.453 4.629 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360305014 1065139323 /nfs/dbraw/zinc/13/93/23/1065139323.db2.gz HMOAUYLBSZTFRK-REPLKXPHSA-N 1 0 490.490 4.878 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2CCOCC2)CC1 ZINC001360304953 1065139362 /nfs/dbraw/zinc/13/93/62/1065139362.db2.gz GVFNFFUEDGLHEF-UHFFFAOYSA-N 1 0 496.881 4.754 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001360305015 1065139445 /nfs/dbraw/zinc/13/94/45/1065139445.db2.gz HMOAUYLBSZTFRK-ROUUACIJSA-N 1 0 490.490 4.878 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)NC(C)(C)C)CC1 ZINC001360305452 1065139928 /nfs/dbraw/zinc/13/99/28/1065139928.db2.gz QIIWBZFGTNIWNO-UHFFFAOYSA-N 1 0 486.730 4.547 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CC2(C)C)CC1 ZINC001360305629 1065141245 /nfs/dbraw/zinc/14/12/45/1065141245.db2.gz YBFHYIGZFIPSAP-OAHLLOKOSA-N 1 0 464.427 4.860 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001360305662 1065141307 /nfs/dbraw/zinc/14/13/07/1065141307.db2.gz ZEFZAUYOEAVHQC-UHFFFAOYSA-N 1 0 460.051 4.589 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001360307079 1065142656 /nfs/dbraw/zinc/14/26/56/1065142656.db2.gz PBBNEBHJJJKQKG-UHFFFAOYSA-N 1 0 469.033 4.796 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Cl)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360307132 1065142676 /nfs/dbraw/zinc/14/26/76/1065142676.db2.gz QLKAQHNBZWLCDK-UHFFFAOYSA-N 1 0 491.080 4.822 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccccc3F)n2Cc2nc(C(C)C)cs2)CC1 ZINC001360308082 1065143118 /nfs/dbraw/zinc/14/31/18/1065143118.db2.gz CFVTXCNLJLHWNP-UHFFFAOYSA-N 1 0 456.635 4.603 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2nccs2)CC1 ZINC001360309493 1065145283 /nfs/dbraw/zinc/14/52/83/1065145283.db2.gz FNVWOSIRKGAERJ-UHFFFAOYSA-N 1 0 477.103 4.890 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCSC2)CC1 ZINC001360309685 1065145860 /nfs/dbraw/zinc/14/58/60/1065145860.db2.gz JFFIATANVSGDOE-KRWDZBQOSA-N 1 0 466.120 4.944 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001360309634 1065145980 /nfs/dbraw/zinc/14/59/80/1065145980.db2.gz IDROHUQUEBFKNW-YADHBBJMSA-N 1 0 483.701 4.794 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2cccs2)CC1 ZINC001360309541 1065145994 /nfs/dbraw/zinc/14/59/94/1065145994.db2.gz GUHSZUYPFSWPBY-NRFANRHFSA-N 1 0 488.702 4.621 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001360309631 1065146001 /nfs/dbraw/zinc/14/60/01/1065146001.db2.gz IDROHUQUEBFKNW-FGZHOGPDSA-N 1 0 483.701 4.794 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001360309865 1065146382 /nfs/dbraw/zinc/14/63/82/1065146382.db2.gz PVSBBDXUZVRDGF-MHECFPHRSA-N 1 0 478.106 4.742 20 0 JJADRO CCCc1c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)nnn1-c1cccc(Cl)c1 ZINC001360314766 1065149160 /nfs/dbraw/zinc/14/91/60/1065149160.db2.gz SYZPUAQGZHEKGI-GOSISDBHSA-N 1 0 452.002 4.829 20 0 JJADRO COc1ccc(-c2nc(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)cs2)cc1OC ZINC001360314439 1065149284 /nfs/dbraw/zinc/14/92/84/1065149284.db2.gz IYWGYHBMDXMLHO-KRWDZBQOSA-N 1 0 451.592 4.783 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccccc3F)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001360319760 1065154993 /nfs/dbraw/zinc/15/49/93/1065154993.db2.gz MNVYEBIMZJUEKQ-KDYSTLNUSA-N 1 0 487.664 4.920 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)c3ccccc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001360320745 1065157164 /nfs/dbraw/zinc/15/71/64/1065157164.db2.gz DXKSUYZKHYMDDB-VYKTZEHYSA-N 1 0 483.701 4.679 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2sc(-c3ccccc3)cc2OC)cc1 ZINC001360323017 1065160030 /nfs/dbraw/zinc/16/00/30/1065160030.db2.gz PVPHAHFLSNLJEP-UHFFFAOYSA-N 1 0 452.576 4.715 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001360324303 1065162596 /nfs/dbraw/zinc/16/25/96/1065162596.db2.gz NKAHHGMIOCAUHT-NTKDMRAZSA-N 1 0 496.121 4.790 20 0 JJADRO Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001360328009 1065170596 /nfs/dbraw/zinc/17/05/96/1065170596.db2.gz XAJJUZFMEADENR-JTHBVZDNSA-N 1 0 453.602 4.786 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCOC1 ZINC001360332636 1065177685 /nfs/dbraw/zinc/17/76/85/1065177685.db2.gz BDBBJMBPNZJMEB-QHWMMSMNSA-N 1 0 475.722 4.846 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)CCOC1 ZINC001360336786 1065185527 /nfs/dbraw/zinc/18/55/27/1065185527.db2.gz YALKWIFECNMNCZ-UXWDXCIHSA-N 1 0 483.701 4.690 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)CCOC1 ZINC001360336783 1065185613 /nfs/dbraw/zinc/18/56/13/1065185613.db2.gz YALKWIFECNMNCZ-AWVRMFGXSA-N 1 0 483.701 4.690 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC4(CCCC4)C3)n2CCC[NH+](C(C)C)C(C)C)CCOC1 ZINC001360340287 1065188931 /nfs/dbraw/zinc/18/89/31/1065188931.db2.gz CAPDHCLTSZJPFW-AREMUKBSSA-N 1 0 461.695 4.598 20 0 JJADRO Cc1cc(SCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)cc1Br ZINC001436116370 1065191002 /nfs/dbraw/zinc/19/10/02/1065191002.db2.gz QZDYNTRXEQWBPN-BGYRXZFFSA-N 1 0 459.453 4.748 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360348007 1065195647 /nfs/dbraw/zinc/19/56/47/1065195647.db2.gz QVRSAKXXSBKHRX-XMMPIXPASA-N 1 0 496.121 4.640 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CCCC(C)(C)C)CCOC1 ZINC001360348553 1065196427 /nfs/dbraw/zinc/19/64/27/1065196427.db2.gz YGOZQRZFTQKAGM-QDPGVEIFSA-N 1 0 483.701 4.856 20 0 JJADRO Cc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)ccc1NC(=O)c1cccs1 ZINC001360355180 1065204901 /nfs/dbraw/zinc/20/49/01/1065204901.db2.gz NIUFRCCTVHGCHE-UHFFFAOYSA-N 1 0 457.665 4.790 20 0 JJADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001360355449 1065205342 /nfs/dbraw/zinc/20/53/42/1065205342.db2.gz WDCKKKUXYMEMCA-UHFFFAOYSA-N 1 0 453.530 4.842 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001360359651 1065211969 /nfs/dbraw/zinc/21/19/69/1065211969.db2.gz HKOFQEGTECGHQL-NRFANRHFSA-N 1 0 450.631 4.961 20 0 JJADRO CC1CC[NH+](Cc2ccccc2CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC001436160947 1065222140 /nfs/dbraw/zinc/22/21/40/1065222140.db2.gz GLEUUHQSJRRDKH-UHFFFAOYSA-N 1 0 456.586 4.845 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001545895850 1065226250 /nfs/dbraw/zinc/22/62/50/1065226250.db2.gz GVGYPVBCAUGCBN-QFIPXVFZSA-N 1 0 480.701 4.857 20 0 JJADRO CC(C)OC1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360368164 1065227897 /nfs/dbraw/zinc/22/78/97/1065227897.db2.gz VEGFHBOHZYUDBX-UHFFFAOYSA-N 1 0 473.637 4.655 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545895915 1065231349 /nfs/dbraw/zinc/23/13/49/1065231349.db2.gz HYJZMIQDMQQTSU-SQJMNOBHSA-N 1 0 480.701 4.660 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C)c1ccc(Cl)cc1 ZINC001436197205 1065244814 /nfs/dbraw/zinc/24/48/14/1065244814.db2.gz DZCMTDYKJJGVHJ-HSZRJFAPSA-N 1 0 451.998 4.921 20 0 JJADRO CC(C)OCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001360383342 1065245860 /nfs/dbraw/zinc/24/58/60/1065245860.db2.gz QKZBHFZPJYYYGH-IRLDBZIGSA-N 1 0 476.065 4.951 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)COc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC001436198248 1065246119 /nfs/dbraw/zinc/24/61/19/1065246119.db2.gz VZKCSKQZUNKLNM-SFHVURJKSA-N 1 0 457.771 4.820 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001436200752 1065247209 /nfs/dbraw/zinc/24/72/09/1065247209.db2.gz FVDFHHYNWBXXHM-HBMCJLEFSA-N 1 0 452.039 4.923 20 0 JJADRO CC(C)OCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001360385736 1065249294 /nfs/dbraw/zinc/24/92/94/1065249294.db2.gz JJGJUDKUGYPBTF-UHFFFAOYSA-N 1 0 483.701 4.606 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001360387499 1065251980 /nfs/dbraw/zinc/25/19/80/1065251980.db2.gz IXRDGNMGKCNIAE-WOJBJXKFSA-N 1 0 451.464 4.521 20 0 JJADRO CC(C)OCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360389011 1065253040 /nfs/dbraw/zinc/25/30/40/1065253040.db2.gz AUFDUKLJOQGWLM-UHFFFAOYSA-N 1 0 452.647 4.800 20 0 JJADRO CC(C)OCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001360393528 1065257212 /nfs/dbraw/zinc/25/72/12/1065257212.db2.gz OYUBEJKNPOULNP-HSZRJFAPSA-N 1 0 459.704 4.838 20 0 JJADRO CC(C)OCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001360398651 1065263176 /nfs/dbraw/zinc/26/31/76/1065263176.db2.gz HPTZUDJSNUSEEX-FQEVSTJZSA-N 1 0 469.033 4.519 20 0 JJADRO CC(C)OCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001360398931 1065263919 /nfs/dbraw/zinc/26/39/19/1065263919.db2.gz OJVSSZOGMYODRY-HXUWFJFHSA-N 1 0 461.054 4.511 20 0 JJADRO COc1cccc(-n2c3ccccc3nc2NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001360404984 1065268259 /nfs/dbraw/zinc/26/82/59/1065268259.db2.gz FKPUQLJRDKWVDJ-UHFFFAOYSA-N 1 0 458.562 4.546 20 0 JJADRO CSc1cccc(N(C(=O)c2nn(C(C)C)cc2Br)C2CC[NH+](C)CC2)c1 ZINC001360408645 1065271959 /nfs/dbraw/zinc/27/19/59/1065271959.db2.gz PRLZDZKRNGQUQW-UHFFFAOYSA-N 1 0 451.434 4.689 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001360409478 1065272945 /nfs/dbraw/zinc/27/29/45/1065272945.db2.gz IUQJJQKJBUNUME-ZJSXRUAMSA-N 1 0 490.092 4.741 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C(C)C)CC2)CC1 ZINC001360409693 1065273175 /nfs/dbraw/zinc/27/31/75/1065273175.db2.gz QKEXBZKOLXZLJA-UHFFFAOYSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001360409476 1065273323 /nfs/dbraw/zinc/27/33/23/1065273323.db2.gz IUQJJQKJBUNUME-URXFXBBRSA-N 1 0 490.092 4.741 20 0 JJADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001360411929 1065275086 /nfs/dbraw/zinc/27/50/86/1065275086.db2.gz JDBLPMQQXGAYOW-MRXNPFEDSA-N 1 0 457.290 4.742 20 0 JJADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CCCc2nnc(-c3ccccc3)o2)CC1 ZINC001436255884 1065277014 /nfs/dbraw/zinc/27/70/14/1065277014.db2.gz UQILXSTZKYSKKJ-UHFFFAOYSA-N 1 0 454.958 4.824 20 0 JJADRO Cc1ccc(CCCC(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)s1 ZINC001436257200 1065277277 /nfs/dbraw/zinc/27/72/77/1065277277.db2.gz OQOOCWNKBYPMDP-HNNXBMFYSA-N 1 0 450.446 4.921 20 0 JJADRO CC(C)SCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001360417661 1065282249 /nfs/dbraw/zinc/28/22/49/1065282249.db2.gz ZMIZOFXSJPVXBF-UHFFFAOYSA-N 1 0 484.497 4.695 20 0 JJADRO CC(C)SCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001360423556 1065291411 /nfs/dbraw/zinc/29/14/11/1065291411.db2.gz WOTQHYPODXVRIZ-UNMCSNQZSA-N 1 0 471.715 4.969 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436337818 1065297599 /nfs/dbraw/zinc/29/75/99/1065297599.db2.gz XEZFIEVJGFSUSK-NZQKXSOJSA-N 1 0 457.659 4.781 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(C2CCCC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001360428094 1065299464 /nfs/dbraw/zinc/29/94/64/1065299464.db2.gz CFALJVUDPUXDKR-NQIIRXRSSA-N 1 0 461.601 4.648 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360428422 1065300813 /nfs/dbraw/zinc/30/08/13/1065300813.db2.gz JAYPNQJBWHBUFI-LJQANCHMSA-N 1 0 468.596 4.862 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cc2ccccc2o1)C(C)C ZINC001360432201 1065308601 /nfs/dbraw/zinc/30/86/01/1065308601.db2.gz NZBWQWUMTCTCGV-CTNGQTDRSA-N 1 0 466.630 4.682 20 0 JJADRO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C)c1cccs1 ZINC001436435751 1065318851 /nfs/dbraw/zinc/31/88/51/1065318851.db2.gz YYEIWUPWKHWJRD-RPWUZVMVSA-N 1 0 455.668 4.507 20 0 JJADRO O=C(c1ccoc1Br)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001436443564 1065320195 /nfs/dbraw/zinc/32/01/95/1065320195.db2.gz AGCGVJDMUXZIQF-HXUWFJFHSA-N 1 0 454.368 4.744 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC001360439334 1065321083 /nfs/dbraw/zinc/32/10/83/1065321083.db2.gz HYMCIRUVKMVHAW-FQEVSTJZSA-N 1 0 475.703 4.655 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC1CC(C)(C)C1 ZINC001545898328 1065321099 /nfs/dbraw/zinc/32/10/99/1065321099.db2.gz RMWRWSCNKGWAJF-OAQYLSRUSA-N 1 0 472.722 4.725 20 0 JJADRO COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC001436464644 1065325192 /nfs/dbraw/zinc/32/51/92/1065325192.db2.gz FQCYNYXGFBSFCP-UQBPGWFLSA-N 1 0 451.563 4.961 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360442576 1065328234 /nfs/dbraw/zinc/32/82/34/1065328234.db2.gz PJBGCMDOGMLAPD-KBWAVLNXSA-N 1 0 471.715 4.676 20 0 JJADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360448451 1065339304 /nfs/dbraw/zinc/33/93/04/1065339304.db2.gz RDIYZONPWIJSRP-RBBKRZOGSA-N 1 0 496.725 4.887 20 0 JJADRO C[C@@H](c1cccs1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC[NH+]1CCCC1 ZINC001360461316 1065366472 /nfs/dbraw/zinc/36/64/72/1065366472.db2.gz SESZQPJCVKTIHL-SFHVURJKSA-N 1 0 487.073 4.606 20 0 JJADRO CCC[C@H]1CN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)CC[N@@H+]1CCOC ZINC001545899527 1065367233 /nfs/dbraw/zinc/36/72/33/1065367233.db2.gz SUZOUXDNBWVEKY-IBGZPJMESA-N 1 0 451.398 4.705 20 0 JJADRO CC(C)CN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)C1CC[NH+](C)CC1 ZINC001436589264 1065385953 /nfs/dbraw/zinc/38/59/53/1065385953.db2.gz PCJXRSQQCHYTPG-UHFFFAOYSA-N 1 0 459.660 4.714 20 0 JJADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001360485668 1065405552 /nfs/dbraw/zinc/40/55/52/1065405552.db2.gz LZORBKUVDRGAMY-KNQAVFIVSA-N 1 0 494.709 4.841 20 0 JJADRO C[C@@H]1[C@@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C ZINC001436646993 1065415842 /nfs/dbraw/zinc/41/58/42/1065415842.db2.gz IXSDLTUHGTYNQD-NQIIRXRSSA-N 1 0 450.023 4.804 20 0 JJADRO C[C@@H](CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCO1)[NH+]1CCCCC1 ZINC001360505162 1065439123 /nfs/dbraw/zinc/43/91/23/1065439123.db2.gz JBCBTWJXZXBXOO-PKOBYXMFSA-N 1 0 450.002 4.617 20 0 JJADRO C[C@H](CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC001360505382 1065440716 /nfs/dbraw/zinc/44/07/16/1065440716.db2.gz NPPLTZNUOKIALM-UXHICEINSA-N 1 0 490.490 4.835 20 0 JJADRO C[C@@H](CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCCCC1 ZINC001360505385 1065440735 /nfs/dbraw/zinc/44/07/35/1065440735.db2.gz NQCSPXARNJBBPZ-INIZCTEOSA-N 1 0 477.476 4.998 20 0 JJADRO C[C@@H](N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H](C)[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001360505415 1065440822 /nfs/dbraw/zinc/44/08/22/1065440822.db2.gz NZCAXGMEMRYVNX-RBUKOAKNSA-N 1 0 499.025 4.936 20 0 JJADRO C[C@@H](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCSCC1)[NH+]1CCCCC1 ZINC001360505613 1065441403 /nfs/dbraw/zinc/44/14/03/1065441403.db2.gz RJKRVQSQTYAMLN-INIZCTEOSA-N 1 0 482.467 4.664 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC001545901692 1065442544 /nfs/dbraw/zinc/44/25/44/1065442544.db2.gz UTXLZAAJDPYKIU-KRWDZBQOSA-N 1 0 457.478 4.527 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCSC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509447 1065449763 /nfs/dbraw/zinc/44/97/63/1065449763.db2.gz SKXVOCFMTVAPAR-IRLDBZIGSA-N 1 0 457.688 4.762 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1N1CCOCC1)[NH+]1CCCCC1 ZINC001360509331 1065449791 /nfs/dbraw/zinc/44/97/91/1065449791.db2.gz QMRMSTIKZFYBOP-QHCPKHFHSA-N 1 0 482.717 4.604 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H](C)c2ccccc2)CC1 ZINC001360509580 1065450794 /nfs/dbraw/zinc/45/07/94/1065450794.db2.gz VHAHBTPRGRBIRV-DHLKQENFSA-N 1 0 453.675 4.923 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC001436847780 1065452302 /nfs/dbraw/zinc/45/23/02/1065452302.db2.gz RSVCDLSTJFWNLY-SJLPKXTDSA-N 1 0 462.040 4.792 20 0 JJADRO C[C@H](CCn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360510261 1065453411 /nfs/dbraw/zinc/45/34/11/1065453411.db2.gz HCJNWCUOKMRLLD-GGAORHGYSA-N 1 0 498.716 4.837 20 0 JJADRO C[C@@H](CCn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360510311 1065453480 /nfs/dbraw/zinc/45/34/80/1065453480.db2.gz HWEZVAVGZLEQAK-URXFXBBRSA-N 1 0 496.700 4.635 20 0 JJADRO C[C@H](CCn1c(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360510287 1065453578 /nfs/dbraw/zinc/45/35/78/1065453578.db2.gz HJRXRJHXLFTTQH-HXUWFJFHSA-N 1 0 499.679 4.770 20 0 JJADRO C[C@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCCO)CC1)[NH+]1CCCCC1 ZINC001360510377 1065454451 /nfs/dbraw/zinc/45/44/51/1065454451.db2.gz JHIRYYOIPOSJTA-OAQYLSRUSA-N 1 0 474.093 4.776 20 0 JJADRO C[C@H](CCn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360511212 1065456536 /nfs/dbraw/zinc/45/65/36/1065456536.db2.gz VJOMDKYKMRVCIY-GOSISDBHSA-N 1 0 479.591 4.834 20 0 JJADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(C(C)(C)C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360511534 1065457110 /nfs/dbraw/zinc/45/71/10/1065457110.db2.gz XSCWLIBFTSQNNE-LEWJYISDSA-N 1 0 482.673 4.994 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001360511531 1065457176 /nfs/dbraw/zinc/45/71/76/1065457176.db2.gz XPHXZJDCDLYKNA-QHCPKHFHSA-N 1 0 496.700 4.590 20 0 JJADRO O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001360511620 1065457187 /nfs/dbraw/zinc/45/71/87/1065457187.db2.gz QQTNTXSFOLNURX-LJQANCHMSA-N 1 0 454.442 4.618 20 0 JJADRO C[C@H](CCn1c(N2CCN(Cc3ccsc3)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360513527 1065461063 /nfs/dbraw/zinc/46/10/63/1065461063.db2.gz BNVIWANGYUMWCW-JOCHJYFZSA-N 1 0 480.726 4.870 20 0 JJADRO CC(C)c1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360513822 1065462667 /nfs/dbraw/zinc/46/26/67/1065462667.db2.gz ITYNOAPOPHIYGZ-LADGPHEKSA-N 1 0 498.716 4.863 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC2(C)C)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001545902590 1065463595 /nfs/dbraw/zinc/46/35/95/1065463595.db2.gz SLTXWZKFBYMADZ-LJQANCHMSA-N 1 0 454.663 4.705 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001545902696 1065466079 /nfs/dbraw/zinc/46/60/79/1065466079.db2.gz VQYQWSUXUJKZKF-DEOSSOPVSA-N 1 0 484.664 4.799 20 0 JJADRO C[C@@H](CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360514718 1065468965 /nfs/dbraw/zinc/46/89/65/1065468965.db2.gz YGSMRWZIQGTXQR-XKCSPQBFSA-N 1 0 465.646 4.584 20 0 JJADRO CN(C(=O)CCc1cc(Br)c(Br)s1)C(C)(C)C[NH+]1CCCC1 ZINC001436924343 1065472177 /nfs/dbraw/zinc/47/21/77/1065472177.db2.gz ZYOCSDHTAGKMFA-UHFFFAOYSA-N 1 0 452.256 4.539 20 0 JJADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001360515402 1065473168 /nfs/dbraw/zinc/47/31/68/1065473168.db2.gz HSOIXKJGSVUXOG-YADHBBJMSA-N 1 0 488.721 4.751 20 0 JJADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001436959942 1065480973 /nfs/dbraw/zinc/48/09/73/1065480973.db2.gz OPUDTGCXOCBEPN-UHFFFAOYSA-N 1 0 450.396 4.892 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545903681 1065489138 /nfs/dbraw/zinc/48/91/38/1065489138.db2.gz GHOHKMSCWGZUDZ-DHLKQENFSA-N 1 0 480.701 4.967 20 0 JJADRO Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C(C)C)cc1 ZINC001437009880 1065494582 /nfs/dbraw/zinc/49/45/82/1065494582.db2.gz UZDAZXUESYZRTK-DEOSSOPVSA-N 1 0 453.652 4.966 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545903919 1065494591 /nfs/dbraw/zinc/49/45/91/1065494591.db2.gz KSCAJBAFLOHOQN-FBLLAGFSSA-N 1 0 480.701 4.906 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001545904319 1065503313 /nfs/dbraw/zinc/50/33/13/1065503313.db2.gz SCCYZUPILWYTHV-NRFANRHFSA-N 1 0 472.703 4.864 20 0 JJADRO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001545904929 1065509654 /nfs/dbraw/zinc/50/96/54/1065509654.db2.gz KDWMJZWYHJBBEZ-FZKQIMNGSA-N 1 0 450.423 4.578 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1nc(-c2cccnc2Cl)ns1 ZINC001437135597 1065511926 /nfs/dbraw/zinc/51/19/26/1065511926.db2.gz STLXQSXUBHQJBV-HNNXBMFYSA-N 1 0 457.987 4.759 20 0 JJADRO CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H](C)Sc1ccccc1 ZINC001360531102 1065512103 /nfs/dbraw/zinc/51/21/03/1065512103.db2.gz MKSJZCLKTRCUQE-QFIPXVFZSA-N 1 0 470.731 4.577 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001360536230 1065518434 /nfs/dbraw/zinc/51/84/34/1065518434.db2.gz LMRFGGXAALAVCY-GFCCVEGCSA-N 1 0 469.861 4.870 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1c1ccco1)[NH+](C)C ZINC001360536236 1065518511 /nfs/dbraw/zinc/51/85/11/1065518511.db2.gz LOFJODLYXHLISS-KBXCAEBGSA-N 1 0 462.367 4.731 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001545905452 1065518916 /nfs/dbraw/zinc/51/89/16/1065518916.db2.gz BJSZVQRPUHGVMY-QFIPXVFZSA-N 1 0 472.722 4.869 20 0 JJADRO O=C(NCC1(c2cccc(Br)c2)CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001545905352 1065523725 /nfs/dbraw/zinc/52/37/25/1065523725.db2.gz ZATQLKPPDSKDPQ-HXUWFJFHSA-N 1 0 451.474 4.595 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1Cc1ccccc1)[NH+](C)C ZINC001360539837 1065524445 /nfs/dbraw/zinc/52/44/45/1065524445.db2.gz AZXMTSSKSXAXFW-WMZOPIPTSA-N 1 0 474.472 4.931 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](c2ccco2)C1)[NH+](C)C ZINC001360540610 1065525581 /nfs/dbraw/zinc/52/55/81/1065525581.db2.gz HNQZPDGTHDDIIM-HUUCEWRRSA-N 1 0 478.822 4.898 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccsc1)[N@H+](C)C1CC1 ZINC001360541522 1065528646 /nfs/dbraw/zinc/52/86/46/1065528646.db2.gz QLXPBGSWBNKAGC-ZDUSSCGKSA-N 1 0 466.474 4.950 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1c1ccco1)[NH+](C)C ZINC001360541443 1065528727 /nfs/dbraw/zinc/52/87/27/1065528727.db2.gz LPKOETFADDYDEY-KSSFIOAISA-N 1 0 462.367 4.731 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001360542236 1065530802 /nfs/dbraw/zinc/53/08/02/1065530802.db2.gz YXESUTAUSQITBO-GFCCVEGCSA-N 1 0 459.219 4.691 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360544836 1065534907 /nfs/dbraw/zinc/53/49/07/1065534907.db2.gz QXNQLQAIBGHYDO-QYZOEREBSA-N 1 0 489.064 4.527 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360545063 1065535373 /nfs/dbraw/zinc/53/53/73/1065535373.db2.gz WBJSAHQBMJVDAR-MJGOQNOKSA-N 1 0 490.490 4.974 20 0 JJADRO CCCCCCOc1ccc(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001437368941 1065543623 /nfs/dbraw/zinc/54/36/23/1065543623.db2.gz BPXFWGJYGOKSGJ-RRPNLBNLSA-N 1 0 450.623 4.690 20 0 JJADRO CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001437376464 1065544911 /nfs/dbraw/zinc/54/49/11/1065544911.db2.gz KOKNVNRXCZJOTQ-FTJBHMTQSA-N 1 0 450.623 4.645 20 0 JJADRO C[C@@H](Cn1c(C2CC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360555980 1065546181 /nfs/dbraw/zinc/54/61/81/1065546181.db2.gz ZXRSRFQLOGPEDR-NZQKXSOJSA-N 1 0 482.673 4.512 20 0 JJADRO C[C@H](Cn1c(C2CCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360557767 1065546774 /nfs/dbraw/zinc/54/67/74/1065546774.db2.gz FLRPVTMGTOLHLH-RTWAWAEBSA-N 1 0 482.673 4.512 20 0 JJADRO C[C@@H](CSc1ccccc1)N(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001437412796 1065548549 /nfs/dbraw/zinc/54/85/49/1065548549.db2.gz OHYDMUZOQIOCLS-WWPVKYPJSA-N 1 0 451.661 4.998 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360559577 1065549225 /nfs/dbraw/zinc/54/92/25/1065549225.db2.gz JNEMWTISLYHEKY-IBGZPJMESA-N 1 0 497.581 4.970 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@]2(CC=CCC2)C1)[NH+](C)C ZINC001360562271 1065552678 /nfs/dbraw/zinc/55/26/78/1065552678.db2.gz AVRUDFGTJOWQIB-VHFRWLAGSA-N 1 0 486.705 4.669 20 0 JJADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC001360565524 1065556160 /nfs/dbraw/zinc/55/61/60/1065556160.db2.gz XTGCUVOHIBHNGT-PLMTUMEDSA-N 1 0 494.453 4.564 20 0 JJADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001437468445 1065556463 /nfs/dbraw/zinc/55/64/63/1065556463.db2.gz LXSINRALUJZVHV-NRFANRHFSA-N 1 0 458.002 4.674 20 0 JJADRO CC[NH+](CC)CCN(C(=O)c1cn(-c2cccc(Cl)c2F)nn1)c1ccc(Cl)cc1 ZINC001437468534 1065557031 /nfs/dbraw/zinc/55/70/31/1065557031.db2.gz PERZPIZTUOBOKG-UHFFFAOYSA-N 1 0 450.345 4.702 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC=C(Br)C1)[N@H+](C)Cc1ccccc1 ZINC001360568723 1065560518 /nfs/dbraw/zinc/56/05/18/1065560518.db2.gz FWIMUDQRWJELEP-SFHVURJKSA-N 1 0 460.464 4.876 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1nccs1 ZINC001360569002 1065561442 /nfs/dbraw/zinc/56/14/42/1065561442.db2.gz ICTHQNNWSZCKEI-VQTJNVASSA-N 1 0 452.672 4.838 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1)[N@H+](C)C1CC1 ZINC001360569088 1065561565 /nfs/dbraw/zinc/56/15/65/1065561565.db2.gz GGYSXRLJQSPGFG-NRFANRHFSA-N 1 0 453.675 4.783 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)[N@H+](C)C1CC1 ZINC001360570992 1065565000 /nfs/dbraw/zinc/56/50/00/1065565000.db2.gz XVZNLBFDFIJBIU-QUCCMNQESA-N 1 0 455.622 4.588 20 0 JJADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360574210 1065568170 /nfs/dbraw/zinc/56/81/70/1065568170.db2.gz BJYQVKLLLVJOMU-DHLKQENFSA-N 1 0 476.669 4.568 20 0 JJADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC001360574931 1065570717 /nfs/dbraw/zinc/57/07/17/1065570717.db2.gz QFPPQPOHRUAQBD-KNQAVFIVSA-N 1 0 472.559 4.563 20 0 JJADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC=C(C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360575626 1065571148 /nfs/dbraw/zinc/57/11/48/1065571148.db2.gz XKTWIVJELMAIDC-JOCHJYFZSA-N 1 0 458.654 4.967 20 0 JJADRO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001360581602 1065578973 /nfs/dbraw/zinc/57/89/73/1065578973.db2.gz FPUPGLYCEFZQSP-JOCHJYFZSA-N 1 0 498.716 4.629 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+](C)C ZINC001360583797 1065582289 /nfs/dbraw/zinc/58/22/89/1065582289.db2.gz KPWDEWFCFHULLH-GHTZIAJQSA-N 1 0 497.606 4.652 20 0 JJADRO C[C@H](Cn1c(N2CCC[C@H](Oc3ncccc3F)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360587483 1065588980 /nfs/dbraw/zinc/58/89/80/1065588980.db2.gz QHJPZIMEMFFGFU-IRLDBZIGSA-N 1 0 480.632 4.678 20 0 JJADRO C[C@@H](Cn1c(N2CCc3cc(OCC(C)(C)F)ccc3C2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360587501 1065589331 /nfs/dbraw/zinc/58/93/31/1065589331.db2.gz QSEBZFHFBMPFBG-SFHVURJKSA-N 1 0 457.638 4.748 20 0 JJADRO C[C@@H](Cn1c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C)c1nccs1 ZINC001360587763 1065589922 /nfs/dbraw/zinc/58/99/22/1065589922.db2.gz TXGDOULQWDAFTK-SFHVURJKSA-N 1 0 456.635 4.687 20 0 JJADRO C[C@H](Cn1c(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360587937 1065590619 /nfs/dbraw/zinc/59/06/19/1065590619.db2.gz VFSGBGCKPYUHAR-UZLBHIALSA-N 1 0 465.564 4.655 20 0 JJADRO C[C@@H](Cn1c(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360588353 1065591784 /nfs/dbraw/zinc/59/17/84/1065591784.db2.gz ZRIOZQPJXGOBPG-LEWJYISDSA-N 1 0 484.689 4.542 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)S[C@@H](C)C1)C[NH+]1CCCC1 ZINC001360591296 1065598394 /nfs/dbraw/zinc/59/83/94/1065598394.db2.gz ALKMPRPLXGIJTJ-OAGGEKHMSA-N 1 0 484.533 4.831 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCCC1(C)C)C[NH+]1CCCC1 ZINC001360591492 1065599046 /nfs/dbraw/zinc/59/90/46/1065599046.db2.gz DMZLUMRZVNMMGM-HNNXBMFYSA-N 1 0 452.466 4.880 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C)[C@@H]1C)C[NH+]1CCCC1 ZINC001360592130 1065600021 /nfs/dbraw/zinc/60/00/21/1065600021.db2.gz PUVIEGMSNMYJOT-FUMNGEBKSA-N 1 0 461.651 4.619 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001360592164 1065600047 /nfs/dbraw/zinc/60/00/47/1065600047.db2.gz QJWGKGNBODKBNT-FQEVSTJZSA-N 1 0 492.634 4.659 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC001360592256 1065600062 /nfs/dbraw/zinc/60/00/62/1065600062.db2.gz RXIAJODMPKAHTC-ROUUACIJSA-N 1 0 477.495 4.650 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C)C[NH+]1CCCC1 ZINC001360592131 1065600072 /nfs/dbraw/zinc/60/00/72/1065600072.db2.gz PUVIEGMSNMYJOT-FYQPLNBISA-N 1 0 461.651 4.619 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@H](C)[C@@H]1C)C[NH+]1CCCC1 ZINC001360592684 1065601737 /nfs/dbraw/zinc/60/17/37/1065601737.db2.gz ZUTFCLCNBVBZNO-FGTMMUONSA-N 1 0 478.504 4.770 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@@H](C)[C@H]1C)C[NH+]1CCCC1 ZINC001360592685 1065601860 /nfs/dbraw/zinc/60/18/60/1065601860.db2.gz ZUTFCLCNBVBZNO-KURKYZTESA-N 1 0 478.504 4.770 20 0 JJADRO CC(C)OC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001360592947 1065602499 /nfs/dbraw/zinc/60/24/99/1065602499.db2.gz BCAZGXBWDHOFGP-FQEVSTJZSA-N 1 0 460.066 4.648 20 0 JJADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC001360593227 1065602689 /nfs/dbraw/zinc/60/26/89/1065602689.db2.gz FAXWNKYZZJCIKE-LJQANCHMSA-N 1 0 472.559 4.651 20 0 JJADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCC1)C[NH+]1CCCC1 ZINC001360593536 1065603293 /nfs/dbraw/zinc/60/32/93/1065603293.db2.gz HEDWLYNVWXXJIR-INIZCTEOSA-N 1 0 464.427 4.815 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@](C)(C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594152 1065604043 /nfs/dbraw/zinc/60/40/43/1065604043.db2.gz LUGJMYPFBFTVGR-DFBJGRDBSA-N 1 0 460.066 4.972 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC001360594441 1065604886 /nfs/dbraw/zinc/60/48/86/1065604886.db2.gz OAYBAUCWLYLSOS-MRXNPFEDSA-N 1 0 468.390 4.675 20 0 JJADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCc1cccs1)C[NH+]1CCCC1 ZINC001360595360 1065606651 /nfs/dbraw/zinc/60/66/51/1065606651.db2.gz ZKXUOHOUTCLZCI-IBGZPJMESA-N 1 0 458.075 4.995 20 0 JJADRO CC(C)c1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360596755 1065610607 /nfs/dbraw/zinc/61/06/07/1065610607.db2.gz GSLHPJTWHBDIDT-NHCUHLMSSA-N 1 0 474.644 4.685 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360597358 1065612938 /nfs/dbraw/zinc/61/29/38/1065612938.db2.gz NQJFWFSSYAKVNA-CEXWTWQISA-N 1 0 477.495 4.650 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597588 1065614540 /nfs/dbraw/zinc/61/45/40/1065614540.db2.gz PWFSZKWLERQYJJ-MSOLQXFVSA-N 1 0 494.453 4.584 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597565 1065614685 /nfs/dbraw/zinc/61/46/85/1065614685.db2.gz POCINSBPCLQPMI-SJORKVTESA-N 1 0 482.492 4.506 20 0 JJADRO CC(C)c1ncc(CN(C)c2nnc(-c3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC001360597592 1065615227 /nfs/dbraw/zinc/61/52/27/1065615227.db2.gz PXACCTAMKMJLNO-FQEVSTJZSA-N 1 0 465.621 4.756 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)C[NH+]2CCCCC2)CCS1 ZINC001360598112 1065616709 /nfs/dbraw/zinc/61/67/09/1065616709.db2.gz VMNDBQSOOHTABR-AZUAARDMSA-N 1 0 463.095 4.693 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCCC2)CCS1 ZINC001360598158 1065616781 /nfs/dbraw/zinc/61/67/81/1065616781.db2.gz VSAUIQPPMVVLQJ-FXAWDEMLSA-N 1 0 495.535 4.736 20 0 JJADRO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1ccco1)C[NH+]1CCCCC1 ZINC001360598282 1065617668 /nfs/dbraw/zinc/61/76/68/1065617668.db2.gz WHNPDRDNYGVNIE-PMACEKPBSA-N 1 0 499.059 4.774 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)C[NH+]2CCCCC2)CCS1 ZINC001360598161 1065617683 /nfs/dbraw/zinc/61/76/83/1065617683.db2.gz VSAUIQPPMVVLQJ-YLJYHZDGSA-N 1 0 495.535 4.736 20 0 JJADRO CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360598475 1065618488 /nfs/dbraw/zinc/61/84/88/1065618488.db2.gz YCNXUFSGSCONDG-ZWKOTPCHSA-N 1 0 452.068 4.816 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CCOCC1)C[NH+]1CCCCC1 ZINC001360598543 1065618962 /nfs/dbraw/zinc/61/89/62/1065618962.db2.gz ZEQFXFKGPRJEJI-SFHVURJKSA-N 1 0 464.029 4.722 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360598555 1065619117 /nfs/dbraw/zinc/61/91/17/1065619117.db2.gz ZLKYCLWKPBDICY-RTBURBONSA-N 1 0 490.490 4.833 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CO)(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC001360599109 1065620031 /nfs/dbraw/zinc/62/00/31/1065620031.db2.gz KIENJGFAIZLTBX-XMMPIXPASA-N 1 0 481.729 4.810 20 0 JJADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccccn1)C[NH+]1CCCCC1 ZINC001360599815 1065621522 /nfs/dbraw/zinc/62/15/22/1065621522.db2.gz XIBUNWPAQHLLRI-HXUWFJFHSA-N 1 0 453.034 4.676 20 0 JJADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1Br)C[NH+]1CCCCC1 ZINC001360599833 1065622581 /nfs/dbraw/zinc/62/25/81/1065622581.db2.gz XMPZBCQXJVOANP-HXUWFJFHSA-N 1 0 497.485 4.785 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001360601476 1065623913 /nfs/dbraw/zinc/62/39/13/1065623913.db2.gz AFWKXQJCAILAFR-NTKDMRAZSA-N 1 0 496.121 4.792 20 0 JJADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360601558 1065624093 /nfs/dbraw/zinc/62/40/93/1065624093.db2.gz BMNOQXUUBHSYLQ-RBUKOAKNSA-N 1 0 483.554 4.897 20 0 JJADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360601605 1065624616 /nfs/dbraw/zinc/62/46/16/1065624616.db2.gz CVHBUOFTLPYMHQ-JPYJTQIMSA-N 1 0 499.647 4.582 20 0 JJADRO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360601963 1065625575 /nfs/dbraw/zinc/62/55/75/1065625575.db2.gz KEJYPRRIBSDZTM-LADGPHEKSA-N 1 0 486.749 4.512 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H](C)c1cccs1)C[NH+]1CCOCC1 ZINC001360602881 1065626922 /nfs/dbraw/zinc/62/69/22/1065626922.db2.gz DMHDZKIZBHPQBQ-QZTJIDSGSA-N 1 0 491.608 4.774 20 0 JJADRO C[C@H](Cn1c(N(Cc2ccccc2)C[C@@H]2CCCO2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360602655 1065627089 /nfs/dbraw/zinc/62/70/89/1065627089.db2.gz QAELYHIEOVBNLC-UPVQGACJSA-N 1 0 453.675 4.883 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)CC(C)(C)C1)C[NH+]1CCOCC1 ZINC001360602971 1065627955 /nfs/dbraw/zinc/62/79/55/1065627955.db2.gz FIYGYCFZTIMWTH-DLBZAZTESA-N 1 0 496.519 4.610 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCC(C)(C)C1)C[NH+]1CCOCC1 ZINC001360604610 1065630698 /nfs/dbraw/zinc/63/06/98/1065630698.db2.gz UXZAKRBLQPNSPZ-KRWDZBQOSA-N 1 0 466.457 4.847 20 0 JJADRO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001360609420 1065640550 /nfs/dbraw/zinc/64/05/50/1065640550.db2.gz FJAGDWFMMFICKE-OAQYLSRUSA-N 1 0 488.721 4.799 20 0 JJADRO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001360610283 1065643763 /nfs/dbraw/zinc/64/37/63/1065643763.db2.gz GKWOZRDNHMBBHW-VXKWHMMOSA-N 1 0 498.716 4.738 20 0 JJADRO O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001360611272 1065646969 /nfs/dbraw/zinc/64/69/69/1065646969.db2.gz PAOMDJZPKSUYRW-UHFFFAOYSA-N 1 0 457.977 4.568 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)/C=C/c2ccnc3ccccc23)C1 ZINC001438032366 1065655843 /nfs/dbraw/zinc/65/58/43/1065655843.db2.gz JCFAKWIESJMDMC-MEJUDOHFSA-N 1 0 450.380 4.920 20 0 JJADRO Cc1cc(Br)oc1C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438032357 1065655860 /nfs/dbraw/zinc/65/58/60/1065655860.db2.gz JAZBDOOESFCIMD-AWEZNQCLSA-N 1 0 456.178 4.636 20 0 JJADRO CC1=NN(c2ccc(C(=O)N3C[C@H]([NH+](C)C)CCc4cc(Br)ccc43)cc2)CC1 ZINC001438037426 1065657792 /nfs/dbraw/zinc/65/77/92/1065657792.db2.gz WWZIYXFGBKYREK-OAQYLSRUSA-N 1 0 455.400 4.558 20 0 JJADRO C[C@@H](COCc1ccccc1)Cn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360613825 1065657675 /nfs/dbraw/zinc/65/76/75/1065657675.db2.gz IAOZQAQQFORXED-ISKFKSNPSA-N 1 0 469.674 4.683 20 0 JJADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CCO1 ZINC001438058512 1065660902 /nfs/dbraw/zinc/66/09/02/1065660902.db2.gz IPVLUIATROLJKD-SIKLNZKXSA-N 1 0 451.394 4.683 20 0 JJADRO C[C@H](COCc1ccccc1)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360615231 1065662616 /nfs/dbraw/zinc/66/26/16/1065662616.db2.gz RAXICGGLDLLNOJ-QHCPKHFHSA-N 1 0 476.669 4.751 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc4ccn(CC[NH+](C)C)c4c3)cc2)c1 ZINC001360620070 1065666271 /nfs/dbraw/zinc/66/62/71/1065666271.db2.gz MDJBIFURHGQOCX-UHFFFAOYSA-N 1 0 454.574 4.694 20 0 JJADRO Cc1ccoc1CC(=O)Nc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(Cl)c1Cl ZINC001438097057 1065669968 /nfs/dbraw/zinc/66/99/68/1065669968.db2.gz VXXVHZLVFOWMKE-INIZCTEOSA-N 1 0 454.398 4.782 20 0 JJADRO CC(C)c1ncc(OCc2ccccc2)c(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)n1 ZINC001438110398 1065672206 /nfs/dbraw/zinc/67/22/06/1065672206.db2.gz DBCFYKPMFPLHHC-UHFFFAOYSA-N 1 0 458.606 4.572 20 0 JJADRO CC(F)(F)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001360626865 1065673159 /nfs/dbraw/zinc/67/31/59/1065673159.db2.gz XEMIRBPEQMDXQM-HNNXBMFYSA-N 1 0 472.353 4.567 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001360637248 1065699059 /nfs/dbraw/zinc/69/90/59/1065699059.db2.gz SZLJNZKTVJGYAG-FYYLOGMGSA-N 1 0 488.721 4.941 20 0 JJADRO CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cc1 ZINC001438247674 1065701633 /nfs/dbraw/zinc/70/16/33/1065701633.db2.gz FOGYIJSNWPILNL-OAQYLSRUSA-N 1 0 450.410 4.641 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC001438263387 1065704139 /nfs/dbraw/zinc/70/41/39/1065704139.db2.gz QRGTWFFTFDPEOC-DWTUOHSQSA-N 1 0 469.670 4.827 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001360639014 1065706410 /nfs/dbraw/zinc/70/64/10/1065706410.db2.gz MOHLEIDQADSILF-IBGZPJMESA-N 1 0 476.710 4.580 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001360639190 1065707038 /nfs/dbraw/zinc/70/70/38/1065707038.db2.gz NPLKLWGGMVNMRL-FQEVSTJZSA-N 1 0 499.704 4.525 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001360640195 1065709814 /nfs/dbraw/zinc/70/98/14/1065709814.db2.gz UZVIDLFNEKFUJB-GMAHTHKFSA-N 1 0 482.673 4.561 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001438325328 1065709991 /nfs/dbraw/zinc/70/99/91/1065709991.db2.gz KVNNBLWRBNWGCU-FDDCHVKYSA-N 1 0 451.014 4.700 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001438338476 1065712060 /nfs/dbraw/zinc/71/20/60/1065712060.db2.gz WYYBHQFNNSHASY-FGCOXFRFSA-N 1 0 457.659 4.734 20 0 JJADRO C[C@H](Cn1c(C2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360641102 1065712548 /nfs/dbraw/zinc/71/25/48/1065712548.db2.gz CVJGGWVSQXGVRK-RTWAWAEBSA-N 1 0 496.700 4.806 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360642808 1065717200 /nfs/dbraw/zinc/71/72/00/1065717200.db2.gz WVEPKMCSRDABHF-FQEVSTJZSA-N 1 0 488.721 4.940 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(F)(F)F)c1ccccc1 ZINC001360644560 1065718887 /nfs/dbraw/zinc/71/88/87/1065718887.db2.gz ATXMNUKSIFRFKQ-MRXNPFEDSA-N 1 0 492.546 4.524 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1)c1ccccc1 ZINC001360644788 1065719412 /nfs/dbraw/zinc/71/94/12/1065719412.db2.gz CPNHBMWGMCUGSA-WIYYLYMNSA-N 1 0 454.569 4.951 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccccc1 ZINC001360644930 1065719914 /nfs/dbraw/zinc/71/99/14/1065719914.db2.gz DRBJNZLVBJGQPN-PXNSSMCTSA-N 1 0 492.590 4.527 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@H](C)C1)c1ccccc1 ZINC001360644968 1065719932 /nfs/dbraw/zinc/71/99/32/1065719932.db2.gz FAOQVDCKYVWZEN-HBMCJLEFSA-N 1 0 475.641 4.537 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccccc1 ZINC001360644931 1065720021 /nfs/dbraw/zinc/72/00/21/1065720021.db2.gz DRBJNZLVBJGQPN-XLIONFOSSA-N 1 0 492.590 4.527 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(F)F)C1)c1ccccc1 ZINC001360645194 1065720088 /nfs/dbraw/zinc/72/00/88/1065720088.db2.gz GWSMAXMSQUAKOV-UYAOXDASSA-N 1 0 456.585 4.895 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001360645299 1065720451 /nfs/dbraw/zinc/72/04/51/1065720451.db2.gz GZBWQELRIKPGJV-RTWAWAEBSA-N 1 0 463.674 4.508 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001360645300 1065720569 /nfs/dbraw/zinc/72/05/69/1065720569.db2.gz GZBWQELRIKPGJV-SFTDATJTSA-N 1 0 463.674 4.508 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H]1C)c1ccccc1 ZINC001360645592 1065721079 /nfs/dbraw/zinc/72/10/79/1065721079.db2.gz KIQMNTRTXPNUHO-HSALFYBXSA-N 1 0 480.682 4.634 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)C(C)(C)C1)c1ccccc1 ZINC001360645947 1065721583 /nfs/dbraw/zinc/72/15/83/1065721583.db2.gz MNJQZOCTIPMYMH-LEWJYISDSA-N 1 0 466.674 4.516 20 0 JJADRO CC(C)N(C)C(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001360646223 1065721690 /nfs/dbraw/zinc/72/16/90/1065721690.db2.gz OIXSLGDHQKFICE-OAQYLSRUSA-N 1 0 482.717 4.788 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 ZINC001360645948 1065721698 /nfs/dbraw/zinc/72/16/98/1065721698.db2.gz MNJQZOCTIPMYMH-NHCUHLMSSA-N 1 0 466.674 4.516 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001360647030 1065722776 /nfs/dbraw/zinc/72/27/76/1065722776.db2.gz VCLCDIQGDNSCNS-DENIHFKCSA-N 1 0 480.682 4.835 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)CC1CC(F)(F)C1)c1ccccc1 ZINC001360647522 1065723775 /nfs/dbraw/zinc/72/37/75/1065723775.db2.gz YJRLDJKNBZAXMT-LJQANCHMSA-N 1 0 468.596 4.875 20 0 JJADRO C/C(=C/C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccccc1Cl ZINC001360678540 1065733929 /nfs/dbraw/zinc/73/39/29/1065733929.db2.gz RNCOERRPAJMBMZ-SSZFMOIBSA-N 1 0 451.920 4.830 20 0 JJADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001360681209 1065734886 /nfs/dbraw/zinc/73/48/86/1065734886.db2.gz ANVZRTUTIHXZRL-NRFANRHFSA-N 1 0 456.011 4.699 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001360706344 1065742407 /nfs/dbraw/zinc/74/24/07/1065742407.db2.gz CINZEZIDUBEFAV-FMGHJNRGSA-N 1 0 469.670 4.927 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Br)cc2F)CC1 ZINC001438748584 1065748825 /nfs/dbraw/zinc/74/88/25/1065748825.db2.gz OEGXVTDGJKYNQH-UHFFFAOYSA-N 1 0 454.771 4.565 20 0 JJADRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1cc(Cl)c(Br)cc1F ZINC001438881180 1065761691 /nfs/dbraw/zinc/76/16/91/1065761691.db2.gz GZWXTIKFGJPJJO-HNNXBMFYSA-N 1 0 452.755 4.778 20 0 JJADRO CCc1c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC001360735898 1065763878 /nfs/dbraw/zinc/76/38/78/1065763878.db2.gz ZJEQEXNOQJZVOU-RXVVDRJESA-N 1 0 452.002 4.608 20 0 JJADRO CCc1c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC001360735894 1065763914 /nfs/dbraw/zinc/76/39/14/1065763914.db2.gz ZJEQEXNOQJZVOU-GHTZIAJQSA-N 1 0 452.002 4.608 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001360735912 1065764495 /nfs/dbraw/zinc/76/44/95/1065764495.db2.gz ZMRPDQYEWHDCRL-WMZOPIPTSA-N 1 0 458.393 4.699 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001360735909 1065764653 /nfs/dbraw/zinc/76/46/53/1065764653.db2.gz ZMRPDQYEWHDCRL-FUHWJXTLSA-N 1 0 458.393 4.699 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(F)(F)F)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001360736454 1065765192 /nfs/dbraw/zinc/76/51/92/1065765192.db2.gz BCSNHRWKCDVHMU-GOSISDBHSA-N 1 0 499.553 4.591 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@H]2CCCOC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360739781 1065772009 /nfs/dbraw/zinc/77/20/09/1065772009.db2.gz WPLWEZYVPOSVFP-LEWJYISDSA-N 1 0 473.637 4.685 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@H]2CCCOC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360739782 1065772057 /nfs/dbraw/zinc/77/20/57/1065772057.db2.gz WPLWEZYVPOSVFP-NHCUHLMSSA-N 1 0 473.637 4.685 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCOC(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001360740166 1065773069 /nfs/dbraw/zinc/77/30/69/1065773069.db2.gz CNOULUDVEBYZQT-LJQANCHMSA-N 1 0 461.626 4.683 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001438988802 1065775031 /nfs/dbraw/zinc/77/50/31/1065775031.db2.gz YUKULMUEWDEGIC-UWJYYQICSA-N 1 0 450.549 4.679 20 0 JJADRO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001360742410 1065777871 /nfs/dbraw/zinc/77/78/71/1065777871.db2.gz XDFIXUPINWIECH-DYESRHJHSA-N 1 0 456.637 4.853 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360744272 1065781614 /nfs/dbraw/zinc/78/16/14/1065781614.db2.gz QJYNYOXFINNIJI-KXBFYZLASA-N 1 0 465.545 4.767 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@H]1CCCCO1 ZINC001360745744 1065785886 /nfs/dbraw/zinc/78/58/86/1065785886.db2.gz PAIOFKXOQDHUGU-IFMALSPDSA-N 1 0 473.637 4.827 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@@H]1CCCCO1 ZINC001360745746 1065785939 /nfs/dbraw/zinc/78/59/39/1065785939.db2.gz PAIOFKXOQDHUGU-IRLDBZIGSA-N 1 0 473.637 4.827 20 0 JJADRO C[C@]12CN(C(=O)c3ccc(Cl)c(I)c3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001439112058 1065788490 /nfs/dbraw/zinc/78/84/90/1065788490.db2.gz UGNPULXYYAJQPE-UTKZUKDTSA-N 1 0 480.777 4.539 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)[C@H]1c1cccs1 ZINC001360746958 1065789077 /nfs/dbraw/zinc/78/90/77/1065789077.db2.gz INBUSPGQZNHFSH-FKRYTKDZSA-N 1 0 461.672 4.817 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCSC1 ZINC001360748972 1065790902 /nfs/dbraw/zinc/79/09/02/1065790902.db2.gz JFHNNSOMFNJKEX-WOJBJXKFSA-N 1 0 475.678 4.869 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCSC1 ZINC001360748969 1065791144 /nfs/dbraw/zinc/79/11/44/1065791144.db2.gz JFHNNSOMFNJKEX-PMACEKPBSA-N 1 0 475.678 4.869 20 0 JJADRO C[C@@H](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCCCC1 ZINC001360749481 1065792097 /nfs/dbraw/zinc/79/20/97/1065792097.db2.gz DWIJRSFXONFWHQ-ACRUOGEOSA-N 1 0 473.637 4.825 20 0 JJADRO CC(C)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCCC1 ZINC001360749899 1065793502 /nfs/dbraw/zinc/79/35/02/1065793502.db2.gz IYDUYLFHFZKMPH-MZKRTTBSSA-N 1 0 473.637 4.681 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCSc1ccccc1 ZINC001545920837 1065793920 /nfs/dbraw/zinc/79/39/20/1065793920.db2.gz AOKBTCXXCKHNGW-UHFFFAOYSA-N 1 0 498.741 4.690 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001360750671 1065795368 /nfs/dbraw/zinc/79/53/68/1065795368.db2.gz YNFXOTAJNQNIGR-CLOONOSVSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360753665 1065800647 /nfs/dbraw/zinc/80/06/47/1065800647.db2.gz GUDBYHBLWTWZRK-PMACEKPBSA-N 1 0 476.065 4.666 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360753820 1065801205 /nfs/dbraw/zinc/80/12/05/1065801205.db2.gz JKSPKZXFICVNGE-IAGOWNOFSA-N 1 0 461.035 4.649 20 0 JJADRO C[C@]1(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CCCN1C(=O)c1ccccc1 ZINC001439224298 1065801280 /nfs/dbraw/zinc/80/12/80/1065801280.db2.gz LEARXWYVBSIVFF-XMMPIXPASA-N 1 0 459.512 4.935 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360754464 1065805101 /nfs/dbraw/zinc/80/51/01/1065805101.db2.gz VDOIUECYRKQMGM-KDOFPFPSSA-N 1 0 459.944 4.800 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1c(C)cc(C)cc1C ZINC001545921575 1065805327 /nfs/dbraw/zinc/80/53/27/1065805327.db2.gz YJOTWDNTPBKDEV-UHFFFAOYSA-N 1 0 494.728 4.871 20 0 JJADRO C[C@H](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC001360754508 1065805934 /nfs/dbraw/zinc/80/59/34/1065805934.db2.gz VYCMWEVYDFCHGI-HKBOAZHASA-N 1 0 476.065 4.809 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cnccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001360754594 1065806527 /nfs/dbraw/zinc/80/65/27/1065806527.db2.gz YAXZCEPEQYHJRX-LJQANCHMSA-N 1 0 484.048 4.762 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cnccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001360754593 1065806734 /nfs/dbraw/zinc/80/67/34/1065806734.db2.gz YAXZCEPEQYHJRX-IBGZPJMESA-N 1 0 484.048 4.762 20 0 JJADRO CC(C)Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001439271804 1065807837 /nfs/dbraw/zinc/80/78/37/1065807837.db2.gz KOPOMRQZDFLALK-PSWAGMNNSA-N 1 0 455.643 4.573 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001360755228 1065808184 /nfs/dbraw/zinc/80/81/84/1065808184.db2.gz AUNNZYBPFFZRPZ-PWRODBHTSA-N 1 0 476.065 4.665 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001360756231 1065813558 /nfs/dbraw/zinc/81/35/58/1065813558.db2.gz QTVLLYCIWAXBGI-VQTJNVASSA-N 1 0 490.092 4.791 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001360756230 1065813585 /nfs/dbraw/zinc/81/35/85/1065813585.db2.gz QTVLLYCIWAXBGI-UXHICEINSA-N 1 0 490.092 4.791 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCCCC2)n1CCCC[NH+]1CCOCC1 ZINC001360758972 1065826953 /nfs/dbraw/zinc/82/69/53/1065826953.db2.gz WRNSSORSUFSXIU-FQEVSTJZSA-N 1 0 462.038 4.564 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCOC(F)F)CC1 ZINC001360759074 1065827830 /nfs/dbraw/zinc/82/78/30/1065827830.db2.gz XUEGCHOJWWSPLX-QGZVFWFLSA-N 1 0 471.980 4.621 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC[C@@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001360759910 1065829788 /nfs/dbraw/zinc/82/97/88/1065829788.db2.gz DOBAMHPNFHWGGO-RBUKOAKNSA-N 1 0 462.038 4.561 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001545922846 1065833376 /nfs/dbraw/zinc/83/33/76/1065833376.db2.gz VUTUTEGXCOVRFV-FQEVSTJZSA-N 1 0 484.664 4.594 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360760709 1065834069 /nfs/dbraw/zinc/83/40/69/1065834069.db2.gz ROWGSMUCONFMNS-FHWLQOOXSA-N 1 0 462.038 4.560 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360762850 1065841384 /nfs/dbraw/zinc/84/13/84/1065841384.db2.gz LXUFFOQSOSFKOS-HSALFYBXSA-N 1 0 476.065 4.807 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(Nc2ccn(C)n2)n1CC[N@H+](C)C1CCCCC1 ZINC001360763185 1065842609 /nfs/dbraw/zinc/84/26/09/1065842609.db2.gz RPOUIEHDHDFTDW-QGZVFWFLSA-N 1 0 458.010 4.813 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001360765025 1065847607 /nfs/dbraw/zinc/84/76/07/1065847607.db2.gz JOUQAMHNTZSVLW-YADHBBJMSA-N 1 0 485.648 4.585 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001360765022 1065847723 /nfs/dbraw/zinc/84/77/23/1065847723.db2.gz JOUQAMHNTZSVLW-FCHUYYIVSA-N 1 0 485.648 4.585 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCc1sccc1C ZINC001545924064 1065855166 /nfs/dbraw/zinc/85/51/66/1065855166.db2.gz OTMATPIOTNPPST-OAQYLSRUSA-N 1 0 494.709 4.520 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1)[N@H+](C)C1CC1 ZINC001360769619 1065862612 /nfs/dbraw/zinc/86/26/12/1065862612.db2.gz LDSINTJOBHYKRH-GJZGRUSLSA-N 1 0 468.404 4.939 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001360770062 1065864685 /nfs/dbraw/zinc/86/46/85/1065864685.db2.gz SFMJACONZGYIDF-GOSISDBHSA-N 1 0 490.027 4.589 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360770351 1065866024 /nfs/dbraw/zinc/86/60/24/1065866024.db2.gz XOMCDCHGONBBKQ-DNVCBOLYSA-N 1 0 469.527 4.676 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[NH+]1CCCCCC1 ZINC001360771355 1065868069 /nfs/dbraw/zinc/86/80/69/1065868069.db2.gz ADHHGLRUYOZVKM-RBUKOAKNSA-N 1 0 465.564 4.915 20 0 JJADRO CC(=O)CCc1ccc(OCC(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001439755975 1065870955 /nfs/dbraw/zinc/87/09/55/1065870955.db2.gz BGOJBQZBIJWQBZ-MFMCTBQISA-N 1 0 470.613 4.762 20 0 JJADRO CC1CCN(C(=S)SCC(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001439757970 1065871769 /nfs/dbraw/zinc/87/17/69/1065871769.db2.gz QCYGWYOIWNDXCT-RPLLCQBOSA-N 1 0 481.731 4.911 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360774825 1065875432 /nfs/dbraw/zinc/87/54/32/1065875432.db2.gz UGHBKVBJXYQLKU-AWRGLXIESA-N 1 0 487.664 4.929 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CC(F)(F)C2)CC1 ZINC001360775023 1065875986 /nfs/dbraw/zinc/87/59/86/1065875986.db2.gz WSSNZEZLIZXZAF-KRWDZBQOSA-N 1 0 451.537 4.523 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCc1cc(C)cc(C)c1 ZINC001545925411 1065878687 /nfs/dbraw/zinc/87/86/87/1065878687.db2.gz LDMSEJNDIMAWAD-UHFFFAOYSA-N 1 0 482.717 4.614 20 0 JJADRO Cc1ccc(C(=O)N[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C(C)C)cc1 ZINC001439818893 1065881308 /nfs/dbraw/zinc/88/13/08/1065881308.db2.gz LFKLNNCZSTUZST-UPRLRBBYSA-N 1 0 469.629 4.534 20 0 JJADRO CC(=O)N(Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC001360799534 1065910618 /nfs/dbraw/zinc/91/06/18/1065910618.db2.gz GJRCUJKWLWIMOL-XMMPIXPASA-N 1 0 459.512 4.591 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)c1 ZINC001440091665 1065910721 /nfs/dbraw/zinc/91/07/21/1065910721.db2.gz YIRDVDHRBFDGQD-UHFFFAOYSA-N 1 0 450.558 4.863 20 0 JJADRO CC1(C)CCCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[NH+]2CCCC2)C1 ZINC001360805186 1065916955 /nfs/dbraw/zinc/91/69/55/1065916955.db2.gz JYXZWWJSLRKADR-UHFFFAOYSA-N 1 0 464.427 4.959 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)c1cccc(I)c1C)c1ccccc1 ZINC001440146428 1065917040 /nfs/dbraw/zinc/91/70/40/1065917040.db2.gz ZJESCBPCSLAQET-HXUWFJFHSA-N 1 0 450.364 4.803 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCCCCC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360808048 1065920104 /nfs/dbraw/zinc/92/01/04/1065920104.db2.gz DKJPDYFNIDOLBH-JOCHJYFZSA-N 1 0 488.721 4.895 20 0 JJADRO CC(C)(C)[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360807901 1065920198 /nfs/dbraw/zinc/92/01/98/1065920198.db2.gz BJVATOULMFVXOV-FQEVSTJZSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)(C)c1nnc(N2Cc3ccc(Br)cc3C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360808281 1065921007 /nfs/dbraw/zinc/92/10/07/1065921007.db2.gz JEVAUZARQXTGLT-UHFFFAOYSA-N 1 0 460.464 4.980 20 0 JJADRO CC(C)(C)[C@@]1(C)CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808528 1065921352 /nfs/dbraw/zinc/92/13/52/1065921352.db2.gz OPNALXSZSMXDET-AREMUKBSSA-N 1 0 457.638 4.848 20 0 JJADRO CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808493 1065921414 /nfs/dbraw/zinc/92/14/14/1065921414.db2.gz NHYGYVZETZGVGO-OAQYLSRUSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)(C)[C@]1(C)CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808529 1065922054 /nfs/dbraw/zinc/92/20/54/1065922054.db2.gz OPNALXSZSMXDET-SANMLTNESA-N 1 0 457.638 4.848 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCCCCC2)C1 ZINC001360808620 1065922251 /nfs/dbraw/zinc/92/22/51/1065922251.db2.gz QFGPORMTPPXAOP-UHFFFAOYSA-N 1 0 487.092 4.754 20 0 JJADRO CC(C)(C)O[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360808967 1065923224 /nfs/dbraw/zinc/92/32/24/1065923224.db2.gz XXRSVRUHJPPQIY-DEOSSOPVSA-N 1 0 483.701 4.806 20 0 JJADRO O=C(Nc1nn(CC(F)F)c2ccccc21)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001440205776 1065923657 /nfs/dbraw/zinc/92/36/57/1065923657.db2.gz COGVBGZTIKMLML-OAQYLSRUSA-N 1 0 452.427 4.695 20 0 JJADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001440368071 1065932902 /nfs/dbraw/zinc/93/29/02/1065932902.db2.gz DKGQPWGDWUVYOH-SFHVURJKSA-N 1 0 452.426 4.651 20 0 JJADRO C[NH+](C)C1(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001440368300 1065933098 /nfs/dbraw/zinc/93/30/98/1065933098.db2.gz FTGZCGPFLUALCY-SFHVURJKSA-N 1 0 457.537 4.652 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)Cc1cc(Cl)ccc1Br)[NH+]1CCCC1 ZINC001440373517 1065933659 /nfs/dbraw/zinc/93/36/59/1065933659.db2.gz QAIFZAXEEVHIEH-LJQANCHMSA-N 1 0 451.792 4.607 20 0 JJADRO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440384559 1065935908 /nfs/dbraw/zinc/93/59/08/1065935908.db2.gz KBCUKYQULLNIMO-OXJNMPFZSA-N 1 0 450.004 4.508 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1cc2c([nH]1)c(C)ccc2Br)[NH+]1CCCC1 ZINC001440389242 1065936894 /nfs/dbraw/zinc/93/68/94/1065936894.db2.gz NKDLZKMCAOMMIL-FQEVSTJZSA-N 1 0 456.384 4.814 20 0 JJADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(C)CCCO2)CC1 ZINC001360834174 1065945638 /nfs/dbraw/zinc/94/56/38/1065945638.db2.gz BEBWUOATWDEVOL-NRFANRHFSA-N 1 0 482.492 4.649 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccs1 ZINC001440530130 1065948541 /nfs/dbraw/zinc/94/85/41/1065948541.db2.gz MIKOIEWOBFQZFU-INIZCTEOSA-N 1 0 453.395 4.847 20 0 JJADRO C[N@H+](CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CCCCC1 ZINC001440567585 1065950702 /nfs/dbraw/zinc/95/07/02/1065950702.db2.gz YUFOQDOZUWRRTE-UHFFFAOYSA-N 1 0 450.004 4.734 20 0 JJADRO C[NH+](C)C1(CNC(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)CCCCCC1 ZINC001440613151 1065954176 /nfs/dbraw/zinc/95/41/76/1065954176.db2.gz LQFCWZYGELBEII-NRFANRHFSA-N 1 0 457.615 4.639 20 0 JJADRO C[NH+](C)C1(CNC(=O)[C@@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)CCCCCC1 ZINC001440613153 1065954214 /nfs/dbraw/zinc/95/42/14/1065954214.db2.gz LQFCWZYGELBEII-OAQYLSRUSA-N 1 0 457.615 4.639 20 0 JJADRO CC1(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001440615194 1065954778 /nfs/dbraw/zinc/95/47/78/1065954778.db2.gz AYMCDYRCVNGYPY-UHFFFAOYSA-N 1 0 459.556 4.652 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2cc(Br)cs2)n1)Cc1ccccc1 ZINC001440666843 1065960972 /nfs/dbraw/zinc/96/09/72/1065960972.db2.gz RYFLCNZHUUHBFJ-OAHLLOKOSA-N 1 0 450.427 4.537 20 0 JJADRO CCc1ccc([C@H](CNC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001440669919 1065961269 /nfs/dbraw/zinc/96/12/69/1065961269.db2.gz DPGLCLBXAIUKHN-DEOSSOPVSA-N 1 0 453.627 4.691 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)[C@@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001440672350 1065961991 /nfs/dbraw/zinc/96/19/91/1065961991.db2.gz NATONCOOLZACCM-BJKOFHAPSA-N 1 0 451.611 4.643 20 0 JJADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1c(F)c(F)c(Br)c(F)c1F ZINC001440675606 1065962438 /nfs/dbraw/zinc/96/24/38/1065962438.db2.gz LHKKQFCEOWSOMG-SECBINFHSA-N 1 0 451.283 4.634 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1cccc(F)c1 ZINC001440675837 1065963090 /nfs/dbraw/zinc/96/30/90/1065963090.db2.gz NJNOTJZCWHUBJG-QHCPKHFHSA-N 1 0 454.929 4.508 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360851098 1065963212 /nfs/dbraw/zinc/96/32/12/1065963212.db2.gz AQGHMPLPDOXHAO-HDICACEKSA-N 1 0 475.479 4.910 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccccc3Br)n2C[C@H](C)[NH+](C)C)CC1 ZINC001360851576 1065964956 /nfs/dbraw/zinc/96/49/56/1065964956.db2.gz MUVWNCPCEOTZEZ-AWEZNQCLSA-N 1 0 483.252 4.537 20 0 JJADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001440708630 1065968405 /nfs/dbraw/zinc/96/84/05/1065968405.db2.gz HBAQLTJARWPGSH-FQEVSTJZSA-N 1 0 459.428 4.557 20 0 JJADRO CC1=C(Br)CN(c2nnc(CC(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360853605 1065970337 /nfs/dbraw/zinc/97/03/37/1065970337.db2.gz IHGMOIVCHPUTEN-HDICACEKSA-N 1 0 452.485 4.724 20 0 JJADRO Cc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001360853707 1065970608 /nfs/dbraw/zinc/97/06/08/1065970608.db2.gz NVCAADQNDJLVLY-UHFFFAOYSA-N 1 0 499.432 4.799 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440731094 1065971522 /nfs/dbraw/zinc/97/15/22/1065971522.db2.gz AXBMZCRIYIKGDV-AUUYWEPGSA-N 1 0 456.940 4.772 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001360854171 1065972548 /nfs/dbraw/zinc/97/25/48/1065972548.db2.gz RNOAYCPMWZMBKE-QFIPXVFZSA-N 1 0 499.432 4.585 20 0 JJADRO CC1=C(Br)CN(c2nnc(CC3CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001360854288 1065973234 /nfs/dbraw/zinc/97/32/34/1065973234.db2.gz UHTHYLAWQVRMCE-INIZCTEOSA-N 1 0 450.469 4.620 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)Cc1ccccc1 ZINC001440741710 1065974318 /nfs/dbraw/zinc/97/43/18/1065974318.db2.gz YWOQGVBPHFWYQN-QFIPXVFZSA-N 1 0 458.528 4.882 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)Cc1ccccc1 ZINC001440741702 1065974471 /nfs/dbraw/zinc/97/44/71/1065974471.db2.gz YWOQGVBPHFWYQN-JOCHJYFZSA-N 1 0 458.528 4.882 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C)=C(Br)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001360857515 1065975234 /nfs/dbraw/zinc/97/52/34/1065975234.db2.gz BNIGMRWTBULVKN-UHFFFAOYSA-N 1 0 492.510 4.528 20 0 JJADRO O=C(/C=C/c1ccc(Cl)cc1)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440748826 1065975907 /nfs/dbraw/zinc/97/59/07/1065975907.db2.gz UFNIQKKLVMAXLK-JXMROGBWSA-N 1 0 451.920 4.701 20 0 JJADRO Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001360858253 1065977418 /nfs/dbraw/zinc/97/74/18/1065977418.db2.gz DTFMFBICPIRVCD-NHCUHLMSSA-N 1 0 498.716 4.533 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCC[C@H](C)C2)c1C ZINC001360862827 1065981276 /nfs/dbraw/zinc/98/12/76/1065981276.db2.gz XUXXXTUJMGQXES-FQEVSTJZSA-N 1 0 468.690 4.779 20 0 JJADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C[C@H](C)O1 ZINC001440826756 1065982084 /nfs/dbraw/zinc/98/20/84/1065982084.db2.gz NNXACICWTYIYSC-HYFFOGBASA-N 1 0 451.007 4.928 20 0 JJADRO C[C@@H]1C[NH+](CCCNC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@@H](C)O1 ZINC001440830329 1065982661 /nfs/dbraw/zinc/98/26/61/1065982661.db2.gz TVEGAAOFNPXZRN-DRSNIGMVSA-N 1 0 451.394 4.729 20 0 JJADRO Cc1ccc(C2(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)CCCCC2)c(Br)c1 ZINC001440830537 1065982713 /nfs/dbraw/zinc/98/27/13/1065982713.db2.gz URTHZVDLGLHSNG-RTBURBONSA-N 1 0 451.449 4.575 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)c1C ZINC001360864989 1065983677 /nfs/dbraw/zinc/98/36/77/1065983677.db2.gz NSWUONISWOMVRB-QHCPKHFHSA-N 1 0 492.668 4.989 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)c1C ZINC001360865606 1065985353 /nfs/dbraw/zinc/98/53/53/1065985353.db2.gz FKVWSTZFRLYBFK-FJIJXJHWSA-N 1 0 496.700 4.532 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360866152 1065987381 /nfs/dbraw/zinc/98/73/81/1065987381.db2.gz NJSCTSYHOPZNSW-WSTZPKSXSA-N 1 0 497.606 4.921 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)C1(Cc2ccccc2Br)CC1)c1cccc(OC)c1 ZINC001440884615 1065989633 /nfs/dbraw/zinc/98/96/33/1065989633.db2.gz XVNKFAVQGBBPQW-QFIPXVFZSA-N 1 0 459.428 4.980 20 0 JJADRO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001360866678 1065989693 /nfs/dbraw/zinc/98/96/93/1065989693.db2.gz XGNCTUMAEYJEBO-DYESRHJHSA-N 1 0 466.630 4.759 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1cccc(OC)c1 ZINC001440884805 1065989713 /nfs/dbraw/zinc/98/97/13/1065989713.db2.gz YECVSLWCRCTMGT-JOCHJYFZSA-N 1 0 455.505 4.974 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC001360868367 1065991769 /nfs/dbraw/zinc/99/17/69/1065991769.db2.gz CJOBCKPUCIRJEL-DNQXCXABSA-N 1 0 493.700 4.773 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CCC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC001360868647 1065993322 /nfs/dbraw/zinc/99/33/22/1065993322.db2.gz JJBOPQBXCBRTGB-MQSCRBSSSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)CC(=O)Nc2ccccc2Cl)c1 ZINC001440907740 1065993503 /nfs/dbraw/zinc/99/35/03/1065993503.db2.gz NVLAHLLHADKXSL-BJKOFHAPSA-N 1 0 476.020 4.961 20 0 JJADRO CCOc1cc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440954327 1065996909 /nfs/dbraw/zinc/99/69/09/1065996909.db2.gz PFNLWEOFWSGXFD-FHWLQOOXSA-N 1 0 453.583 4.936 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001360869271 1065997050 /nfs/dbraw/zinc/99/70/50/1065997050.db2.gz NMLKJZVSJDXSHQ-YADHBBJMSA-N 1 0 466.630 4.780 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)c1C ZINC001360869244 1065997115 /nfs/dbraw/zinc/99/71/15/1065997115.db2.gz NERXSHJLVZCQTA-HSZRJFAPSA-N 1 0 491.684 4.626 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360869367 1065997555 /nfs/dbraw/zinc/99/75/55/1065997555.db2.gz OHVJNGUQPXMZFY-UYAOXDASSA-N 1 0 486.064 4.543 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1ccsc1 ZINC001441009982 1065999755 /nfs/dbraw/zinc/99/97/55/1065999755.db2.gz WBIISEKZJMARKR-KNQAVFIVSA-N 1 0 457.640 4.725 20 0 JJADRO COc1ccc2cc(CN(C)C(=O)CC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc2c1 ZINC001441018000 1066001259 /nfs/dbraw/zinc/00/12/59/1066001259.db2.gz WQYHQEUQQNJOEG-UHFFFAOYSA-N 1 0 451.998 4.673 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C(C)C)C3)n2CCCC[NH+]2CCOCC2)c1C ZINC001360870220 1066001525 /nfs/dbraw/zinc/00/15/25/1066001525.db2.gz NPXRODRCCSQVEX-BJKOFHAPSA-N 1 0 469.674 4.630 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360870564 1066002847 /nfs/dbraw/zinc/00/28/47/1066002847.db2.gz YFEASOLOVHTYQK-LADGPHEKSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccco3)n2CC[N@@H+]2CCC[C@H](C)C2)c1C ZINC001360870775 1066003817 /nfs/dbraw/zinc/00/38/17/1066003817.db2.gz ZBCRISQTYAOSDS-UGKGYDQZSA-N 1 0 451.615 4.996 20 0 JJADRO CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001441062085 1066004875 /nfs/dbraw/zinc/00/48/75/1066004875.db2.gz RTUZOUWCBXGEIX-NTKDMRAZSA-N 1 0 454.590 4.520 20 0 JJADRO CN(CC1CCCCC1)C(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001441079688 1066006142 /nfs/dbraw/zinc/00/61/42/1066006142.db2.gz PLBXRCPZMCNOJW-UHFFFAOYSA-N 1 0 457.659 4.975 20 0 JJADRO CCN(C(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(Br)c1 ZINC001441085385 1066006615 /nfs/dbraw/zinc/00/66/15/1066006615.db2.gz QIBZCFXEOZMBOZ-UHFFFAOYSA-N 1 0 450.808 4.668 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)c1C ZINC001360872821 1066006757 /nfs/dbraw/zinc/00/67/57/1066006757.db2.gz BDLRGQANDMAYGL-OFVILXPXSA-N 1 0 457.688 4.709 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)c1C ZINC001360872820 1066006841 /nfs/dbraw/zinc/00/68/41/1066006841.db2.gz BDLRGQANDMAYGL-BWKNWUBXSA-N 1 0 457.688 4.709 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360873255 1066008360 /nfs/dbraw/zinc/00/83/60/1066008360.db2.gz DFVFPLFZJMLJLL-QDPGVEIFSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CCC(C)C)c1C ZINC001360873276 1066008533 /nfs/dbraw/zinc/00/85/33/1066008533.db2.gz GGFZKJDSBFTKGG-LOSJGSFVSA-N 1 0 482.717 4.686 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCC3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1C ZINC001360873562 1066009225 /nfs/dbraw/zinc/00/92/25/1066009225.db2.gz FPDCOGNSNPHOEP-RPWUZVMVSA-N 1 0 469.674 4.652 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CC(F)(F)F)c1C ZINC001360873473 1066009254 /nfs/dbraw/zinc/00/92/54/1066009254.db2.gz HRXSWPWXRITAHG-UXHICEINSA-N 1 0 465.564 4.909 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1C ZINC001360873563 1066009309 /nfs/dbraw/zinc/00/93/09/1066009309.db2.gz FPDCOGNSNPHOEP-ZEQRLZLVSA-N 1 0 469.674 4.652 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H](C)[NH+](C)C)c1C ZINC001360873924 1066010810 /nfs/dbraw/zinc/01/08/10/1066010810.db2.gz LKLWQAGDZFLKGO-DOTOQJQBSA-N 1 0 452.430 4.884 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1C ZINC001360873970 1066011274 /nfs/dbraw/zinc/01/12/74/1066011274.db2.gz IYLUDAMJTIMILT-FTBPSBKWSA-N 1 0 483.701 4.898 20 0 JJADRO CC[C@](O)(CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC001441173256 1066011401 /nfs/dbraw/zinc/01/14/01/1066011401.db2.gz POTNCEXEJPTVLY-LJAQVGFWSA-N 1 0 457.618 4.631 20 0 JJADRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001441176088 1066011547 /nfs/dbraw/zinc/01/15/47/1066011547.db2.gz KDGZKCZGRLHSOY-UHFFFAOYSA-N 1 0 450.627 4.591 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC001360874419 1066013449 /nfs/dbraw/zinc/01/34/49/1066013449.db2.gz MSCFSPQVMUCJFW-ZJSXRUAMSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC001360874417 1066013493 /nfs/dbraw/zinc/01/34/93/1066013493.db2.gz MSCFSPQVMUCJFW-URXFXBBRSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccc(F)cn2)c1C ZINC001360874739 1066014829 /nfs/dbraw/zinc/01/48/29/1066014829.db2.gz OIQIWCNZDPVRIT-OAQYLSRUSA-N 1 0 480.632 4.928 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCCC1 ZINC001441220168 1066016108 /nfs/dbraw/zinc/01/61/08/1066016108.db2.gz BMEVUYKMWUPFQS-ZEQRLZLVSA-N 1 0 457.659 4.879 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@](C)(O)c2ccco2)c1C ZINC001360875439 1066017784 /nfs/dbraw/zinc/01/77/84/1066017784.db2.gz ZVOBLGFLYLNISC-JIPXPUAJSA-N 1 0 481.641 4.502 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(C(F)(F)F)c(F)c3C)CC2)c1 ZINC001441236231 1066017763 /nfs/dbraw/zinc/01/77/63/1066017763.db2.gz BZBHWBVBSSNNCK-UHFFFAOYSA-N 1 0 451.508 4.794 20 0 JJADRO CN1CC[N@H+](CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC001441238078 1066018007 /nfs/dbraw/zinc/01/80/07/1066018007.db2.gz FPIAACWSCMEIHB-VMPREFPWSA-N 1 0 455.646 4.898 20 0 JJADRO CC[C@@H](CNC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001441241295 1066019036 /nfs/dbraw/zinc/01/90/36/1066019036.db2.gz NTQUVEKZZVJBLE-DVECYGJZSA-N 1 0 451.611 4.839 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cc(Oc4ccccc4)ccc3O)CC2)c1 ZINC001441244679 1066019634 /nfs/dbraw/zinc/01/96/34/1066019634.db2.gz LARFLRMELDOPQM-UHFFFAOYSA-N 1 0 459.590 4.825 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@](C)(O)c2ccsc2)c1C ZINC001360877089 1066021913 /nfs/dbraw/zinc/02/19/13/1066021913.db2.gz HRSHVBRTYZAPGU-IDISGSTGSA-N 1 0 497.709 4.925 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@](C)(O)c2ccsc2)c1C ZINC001360877092 1066021989 /nfs/dbraw/zinc/02/19/89/1066021989.db2.gz HRSHVBRTYZAPGU-ZBLYBZFDSA-N 1 0 497.709 4.925 20 0 JJADRO C[C@]1(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCc2ccccc21 ZINC001441319150 1066027205 /nfs/dbraw/zinc/02/72/05/1066027205.db2.gz ICLFVEGXGNRGCL-VWLOTQADSA-N 1 0 459.556 4.628 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOCC4(CC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1C ZINC001360879114 1066028969 /nfs/dbraw/zinc/02/89/69/1066028969.db2.gz GAZVIEWSADCLME-XZOQPEGZSA-N 1 0 469.674 4.628 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001441339251 1066030541 /nfs/dbraw/zinc/03/05/41/1066030541.db2.gz GULCOBHIGCOKOT-NRSPTQNISA-N 1 0 450.023 4.677 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c1C ZINC001360879490 1066030779 /nfs/dbraw/zinc/03/07/79/1066030779.db2.gz LRVVJGRHKAPVDZ-MQSCRBSSSA-N 1 0 455.647 4.525 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001441353733 1066032562 /nfs/dbraw/zinc/03/25/62/1066032562.db2.gz JEXWMPNTZPWOBC-OFNKIYASSA-N 1 0 455.643 4.714 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc3cncc(Br)c3n2)cc1 ZINC001441355868 1066033040 /nfs/dbraw/zinc/03/30/40/1066033040.db2.gz BXSIDIVPYVVXGJ-MRXNPFEDSA-N 1 0 453.384 4.697 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 ZINC001441375713 1066036564 /nfs/dbraw/zinc/03/65/64/1066036564.db2.gz NCGYFBMRSFRFEB-KRWDZBQOSA-N 1 0 457.500 4.591 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCc2c(cnn2-c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001441397043 1066037275 /nfs/dbraw/zinc/03/72/75/1066037275.db2.gz KHBQWWZPVRGTNB-HSZRJFAPSA-N 1 0 456.512 4.859 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCCCC2)CC1 ZINC001360885079 1066040113 /nfs/dbraw/zinc/04/01/13/1066040113.db2.gz RXPMVVLWFSUXPY-UHFFFAOYSA-N 1 0 462.411 4.879 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC001441441397 1066041343 /nfs/dbraw/zinc/04/13/43/1066041343.db2.gz AUTUKNJNYWOGJB-UHFFFAOYSA-N 1 0 457.372 4.812 20 0 JJADRO COc1cccc(N(CC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C(=O)OC(C)(C)C)c1 ZINC001441446484 1066041599 /nfs/dbraw/zinc/04/15/99/1066041599.db2.gz PFIUSBHFEDUOKV-UHFFFAOYSA-N 1 0 455.599 4.593 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2cccc(OCc3cccnc3)c2)C1 ZINC001441447019 1066041788 /nfs/dbraw/zinc/04/17/88/1066041788.db2.gz NBQFEMOBNJLBGN-GOTSBHOMSA-N 1 0 457.618 4.997 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)cc1 ZINC001441461925 1066043218 /nfs/dbraw/zinc/04/32/18/1066043218.db2.gz ROQISZNFUOXEDW-UHFFFAOYSA-N 1 0 450.558 4.781 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CSc3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001441463869 1066043665 /nfs/dbraw/zinc/04/36/65/1066043665.db2.gz NICOWUVWDGFLHD-IAGOWNOFSA-N 1 0 451.558 4.987 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001441489094 1066046073 /nfs/dbraw/zinc/04/60/73/1066046073.db2.gz YDFCKLHPVLALHP-TZYAJKAJSA-N 1 0 457.659 4.864 20 0 JJADRO Cc1nc([C@H]2CCCN(c3nnc([C@H]4CCCCO4)n3CC(C)(C)C[NH+](C)C)C2)sc1C ZINC001360896144 1066049658 /nfs/dbraw/zinc/04/96/58/1066049658.db2.gz VHVGPQGAUWNGOO-VQTJNVASSA-N 1 0 460.692 4.565 20 0 JJADRO Cc1c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cnn1-c1cc(C)ccc1C ZINC001441588902 1066051920 /nfs/dbraw/zinc/05/19/20/1066051920.db2.gz GVBRHWUWGLASQZ-UHFFFAOYSA-N 1 0 459.594 4.864 20 0 JJADRO Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3ccccc3)CC2)sc1C ZINC001360899841 1066053171 /nfs/dbraw/zinc/05/31/71/1066053171.db2.gz SMITYKFSFSRHFA-UHFFFAOYSA-N 1 0 466.699 4.895 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CCOCC1 ZINC001441608916 1066053405 /nfs/dbraw/zinc/05/34/05/1066053405.db2.gz FAKDXXWMNWDTOO-FQEVSTJZSA-N 1 0 459.631 4.567 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001441624808 1066055460 /nfs/dbraw/zinc/05/54/60/1066055460.db2.gz RQLIQTDFIYQKMJ-UHFFFAOYSA-N 1 0 453.627 4.868 20 0 JJADRO Cc1nc(N2CCN(c3nnc(C(C)C)n3CC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)sc1C ZINC001360905189 1066059047 /nfs/dbraw/zinc/05/90/47/1066059047.db2.gz MGPWHGLUEPXCOH-HXUWFJFHSA-N 1 0 481.714 4.712 20 0 JJADRO Cc1nc(N2CCN(c3nnc(C(C)C)n3CC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)sc1C ZINC001360905188 1066059126 /nfs/dbraw/zinc/05/91/26/1066059126.db2.gz MGPWHGLUEPXCOH-FQEVSTJZSA-N 1 0 481.714 4.712 20 0 JJADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001441669772 1066059465 /nfs/dbraw/zinc/05/94/65/1066059465.db2.gz WNOMIVXTUYVGJN-DEOSSOPVSA-N 1 0 453.558 4.974 20 0 JJADRO Cc1nc(N2CCN(c3nnc(C(C)C)n3CC3CC[NH+](CCC(C)C)CC3)CC2)sc1C ZINC001360905664 1066059971 /nfs/dbraw/zinc/05/99/71/1066059971.db2.gz YCGBILQKLRERJJ-UHFFFAOYSA-N 1 0 473.735 4.560 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCC(C)C)n1CCC[NH+]1CCC(O)CC1 ZINC001360908097 1066063073 /nfs/dbraw/zinc/06/30/73/1066063073.db2.gz BAWAVPJHIRXTTI-UHFFFAOYSA-N 1 0 482.698 4.706 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001360908999 1066064792 /nfs/dbraw/zinc/06/47/92/1066064792.db2.gz UQUTWYBLQMPKBO-UNMCSNQZSA-N 1 0 482.698 4.826 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C(F)(F)F ZINC001360909437 1066065878 /nfs/dbraw/zinc/06/58/78/1066065878.db2.gz RZZYMLLKCLQYSX-HXUWFJFHSA-N 1 0 456.512 4.794 20 0 JJADRO O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CCC([NH+]2CCOCC2)CC1 ZINC001441744726 1066067412 /nfs/dbraw/zinc/06/74/12/1066067412.db2.gz DBTNIWHMTLAKJD-UHFFFAOYSA-N 1 0 454.423 4.870 20 0 JJADRO Cc1n[nH]cc1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001360913028 1066069680 /nfs/dbraw/zinc/06/96/80/1066069680.db2.gz KDCATIUPEOHMKB-UHFFFAOYSA-N 1 0 463.674 4.685 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@@H](C)C1 ZINC001360913834 1066070300 /nfs/dbraw/zinc/07/03/00/1066070300.db2.gz KDTVIPOSRKRAKB-KKSFZXQISA-N 1 0 458.400 4.504 20 0 JJADRO Cc1ncsc1CCn1c(-c2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360920121 1066075922 /nfs/dbraw/zinc/07/59/22/1066075922.db2.gz ONJLJYMTWNTVCU-UHFFFAOYSA-N 1 0 456.635 4.650 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)[NH+]1CCCCC1 ZINC001441877793 1066076365 /nfs/dbraw/zinc/07/63/65/1066076365.db2.gz AGYDPWRSQOHRTQ-XMMPIXPASA-N 1 0 451.611 4.945 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)[NH+]1CCCCC1 ZINC001441886796 1066078048 /nfs/dbraw/zinc/07/80/48/1066078048.db2.gz PLQJZCLSQNQUCR-JOCHJYFZSA-N 1 0 455.574 4.776 20 0 JJADRO Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001360923429 1066079069 /nfs/dbraw/zinc/07/90/69/1066079069.db2.gz STAAQSIOXORNFB-NRFANRHFSA-N 1 0 452.672 4.585 20 0 JJADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001442013155 1066085474 /nfs/dbraw/zinc/08/54/74/1066085474.db2.gz WMQINHBFGZALDR-RUZDIDTESA-N 1 0 452.639 4.906 20 0 JJADRO Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](c2ccco2)[NH+](C)C)cnn1C ZINC001360929640 1066085692 /nfs/dbraw/zinc/08/56/92/1066085692.db2.gz LFGJBOIERAOCRU-GCJKJVERSA-N 1 0 498.031 4.646 20 0 JJADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001442029613 1066086585 /nfs/dbraw/zinc/08/65/85/1066086585.db2.gz RGWPGJVQECSTOR-HXUWFJFHSA-N 1 0 454.368 4.539 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001442064840 1066089092 /nfs/dbraw/zinc/08/90/92/1066089092.db2.gz VBESGTMENWSTGM-VMODYCNZSA-N 1 0 455.643 4.756 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001442071311 1066089501 /nfs/dbraw/zinc/08/95/01/1066089501.db2.gz JKXUJJPEJJYDSX-GOTSBHOMSA-N 1 0 455.643 4.613 20 0 JJADRO CCN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001442072576 1066090246 /nfs/dbraw/zinc/09/02/46/1066090246.db2.gz LCGDVDKSILBIIN-GJZUVCINSA-N 1 0 456.586 4.980 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001442078261 1066090597 /nfs/dbraw/zinc/09/05/97/1066090597.db2.gz KYBJXFKPEZOQIO-CUNXSJBXSA-N 1 0 455.643 4.714 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)CCN1C(=O)CCc2cc(F)ccc21)C1CCCCC1 ZINC001442081917 1066091237 /nfs/dbraw/zinc/09/12/37/1066091237.db2.gz WRDBBSDCXCGWEF-UHFFFAOYSA-N 1 0 451.586 4.576 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001442082224 1066091451 /nfs/dbraw/zinc/09/14/51/1066091451.db2.gz XZNNNVASIJAVBR-YIXXDRMTSA-N 1 0 455.643 4.714 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2CCCC[C@H]2C)cnn1C ZINC001360935394 1066095165 /nfs/dbraw/zinc/09/51/65/1066095165.db2.gz IVWRGSMLXSQASD-LJQANCHMSA-N 1 0 470.065 4.931 20 0 JJADRO COc1cc(/C=C(/C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)ccc1O ZINC001442112044 1066095506 /nfs/dbraw/zinc/09/55/06/1066095506.db2.gz XLOBEVIRASMFIY-NLRVBDNBSA-N 1 0 456.586 4.970 20 0 JJADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC001442129974 1066097195 /nfs/dbraw/zinc/09/71/95/1066097195.db2.gz CMVIKLYPQFIKNK-NRFANRHFSA-N 1 0 451.611 4.609 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360944595 1066099328 /nfs/dbraw/zinc/09/93/28/1066099328.db2.gz BTJQNHBRZFGTQI-UHFFFAOYSA-N 1 0 474.625 4.670 20 0 JJADRO Cc1c(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cnn1C ZINC001360945239 1066100102 /nfs/dbraw/zinc/10/01/02/1066100102.db2.gz ZKCPDJAGMQWOGE-NIYFSFCBSA-N 1 0 484.092 4.711 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001360944973 1066100117 /nfs/dbraw/zinc/10/01/17/1066100117.db2.gz PTBQYWJLJJXBKM-HXUWFJFHSA-N 1 0 458.610 4.931 20 0 JJADRO C[NH+]1CCN(Cc2cccc(C(=O)NCC3(c4cccc(C(F)(F)F)c4)CCCC3)c2)CC1 ZINC001442188370 1066100570 /nfs/dbraw/zinc/10/05/70/1066100570.db2.gz SAWQLYPLPWXRBO-UHFFFAOYSA-N 1 0 459.556 4.695 20 0 JJADRO Cc1c(CN(C)c2nnc(CC3CCCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)cnn1C ZINC001360947473 1066102299 /nfs/dbraw/zinc/10/22/99/1066102299.db2.gz MWUBLDCXPZYUFU-UHFFFAOYSA-N 1 0 463.674 4.578 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+](C)Cc1ccccc1 ZINC001360949322 1066104321 /nfs/dbraw/zinc/10/43/21/1066104321.db2.gz CAUXQVLLSRZAEG-DNQXCXABSA-N 1 0 465.642 4.867 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)[NH+](C)C ZINC001360949466 1066104950 /nfs/dbraw/zinc/10/49/50/1066104950.db2.gz HQQPPWFHTPLMIG-QGZVFWFLSA-N 1 0 456.660 4.506 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCC1 ZINC001360949510 1066105478 /nfs/dbraw/zinc/10/54/78/1066105478.db2.gz JKAWMWXCVLMZTG-UHFFFAOYSA-N 1 0 451.615 4.788 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2Cl)CC1 ZINC001442233270 1066105934 /nfs/dbraw/zinc/10/59/34/1066105934.db2.gz NBTGSXJJBGJZSQ-RTBURBONSA-N 1 0 479.065 4.894 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2ccc(F)cc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360949860 1066107516 /nfs/dbraw/zinc/10/75/16/1066107516.db2.gz WLYYWIXXCXXQNO-IBGZPJMESA-N 1 0 455.578 4.799 20 0 JJADRO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951823 1066108556 /nfs/dbraw/zinc/10/85/56/1066108556.db2.gz KNTKIOXLTHVYRE-DFQSSKMNSA-N 1 0 452.467 4.981 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(-c3cnc4[nH]ccc4c3)ccn2)ccc1OC ZINC001360958800 1066115684 /nfs/dbraw/zinc/11/56/84/1066115684.db2.gz LIVKRXFHWWJXET-UHFFFAOYSA-N 1 0 459.550 4.558 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)ccc1O)c1ccc(C(F)(F)F)cc1 ZINC001442329545 1066116405 /nfs/dbraw/zinc/11/64/05/1066116405.db2.gz REQDZLJZSKBDGR-QGZVFWFLSA-N 1 0 459.306 4.986 20 0 JJADRO C[N@H+](CCNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)C1CCCCC1 ZINC001442337270 1066118104 /nfs/dbraw/zinc/11/81/04/1066118104.db2.gz NDAPCBUUCWWUAA-UHFFFAOYSA-N 1 0 458.400 4.696 20 0 JJADRO O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001442362624 1066120312 /nfs/dbraw/zinc/12/03/12/1066120312.db2.gz CHCRVPGWSIXOMW-UHFFFAOYSA-N 1 0 455.002 4.706 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC001360961446 1066120627 /nfs/dbraw/zinc/12/06/27/1066120627.db2.gz KAXAFAHCFLZJBR-DEOSSOPVSA-N 1 0 455.602 4.947 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001360961141 1066120644 /nfs/dbraw/zinc/12/06/44/1066120644.db2.gz BHMBPDWWARXURH-RUZDIDTESA-N 1 0 455.602 4.704 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCOc1ccccc1Br ZINC001360961126 1066120685 /nfs/dbraw/zinc/12/06/85/1066120685.db2.gz ARZWSILICFRZDO-OAQYLSRUSA-N 1 0 459.428 4.979 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001360961490 1066121115 /nfs/dbraw/zinc/12/11/15/1066121115.db2.gz LCVXEDVIPIAXAV-FQEVSTJZSA-N 1 0 453.583 4.845 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC001360961463 1066121245 /nfs/dbraw/zinc/12/12/45/1066121245.db2.gz KJSCDBCAASYHMC-IBGZPJMESA-N 1 0 459.403 4.990 20 0 JJADRO O=C(N[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1)c1ccccc1 ZINC001442392687 1066123033 /nfs/dbraw/zinc/12/30/33/1066123033.db2.gz MGJXRQPQCMXNDF-MHZLTWQESA-N 1 0 455.602 4.850 20 0 JJADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC001442393856 1066123650 /nfs/dbraw/zinc/12/36/50/1066123650.db2.gz ITJNXCDMDGIURK-HSZRJFAPSA-N 1 0 457.412 4.690 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)n[nH]1)[NH+](C)C ZINC001442465358 1066128056 /nfs/dbraw/zinc/12/80/56/1066128056.db2.gz MUIMAKFUXAZSLN-MRXNPFEDSA-N 1 0 451.320 4.964 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nnc(-c2ccco2)o1)[NH+](C)C ZINC001442473295 1066129152 /nfs/dbraw/zinc/12/91/52/1066129152.db2.gz VFJWVPKMAQMHGG-KRWDZBQOSA-N 1 0 451.354 4.865 20 0 JJADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1nc(C)c2c1nc(C(C)C)cc2C(F)(F)F ZINC001442527848 1066133619 /nfs/dbraw/zinc/13/36/19/1066133619.db2.gz NJHOFBKQXRLVJI-QGZVFWFLSA-N 1 0 453.553 4.653 20 0 JJADRO CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545950174 1066142301 /nfs/dbraw/zinc/14/23/01/1066142301.db2.gz MEHFNBDZPQTSNF-FQEVSTJZSA-N 1 0 462.683 4.502 20 0 JJADRO Cc1c(Cl)cccc1Cn1c(N2CC[NH+](CCCOCC(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360982697 1066142832 /nfs/dbraw/zinc/14/28/32/1066142832.db2.gz SNKVDZTZTMFKLL-UHFFFAOYSA-N 1 0 487.998 4.677 20 0 JJADRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC001442618392 1066145826 /nfs/dbraw/zinc/14/58/26/1066145826.db2.gz QXFWRLGESKVKJZ-FQEVSTJZSA-N 1 0 450.435 4.859 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360985484 1066147227 /nfs/dbraw/zinc/14/72/27/1066147227.db2.gz BVNXKLVZWMKKJR-FCHUYYIVSA-N 1 0 496.681 4.576 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc[nH]2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001360985535 1066147901 /nfs/dbraw/zinc/14/79/01/1066147901.db2.gz DMKHUFWFSRQQQJ-NHCUHLMSSA-N 1 0 491.684 4.723 20 0 JJADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001442657991 1066148219 /nfs/dbraw/zinc/14/82/19/1066148219.db2.gz GVUOPMJRZHJGLL-RZUBCFFCSA-N 1 0 458.647 4.538 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccnc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001360985594 1066148388 /nfs/dbraw/zinc/14/83/88/1066148388.db2.gz GNPSZXDRFDTWMA-NGOKVRLYSA-N 1 0 489.668 4.542 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001360985589 1066148498 /nfs/dbraw/zinc/14/84/98/1066148498.db2.gz GLFXUHRTBUDESC-REWPJTCUSA-N 1 0 496.700 4.722 20 0 JJADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC001442666939 1066149418 /nfs/dbraw/zinc/14/94/18/1066149418.db2.gz QHZDTYJSFKHKAX-DBXWQHBBSA-N 1 0 457.665 4.956 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360985940 1066149631 /nfs/dbraw/zinc/14/96/31/1066149631.db2.gz PEOQLXGWXDIJME-OAQYLSRUSA-N 1 0 464.614 4.523 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001360986270 1066150155 /nfs/dbraw/zinc/15/01/55/1066150155.db2.gz ZCZCUWBIPBLOPF-VXKWHMMOSA-N 1 0 496.700 4.515 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001360986269 1066150247 /nfs/dbraw/zinc/15/02/47/1066150247.db2.gz ZCZCUWBIPBLOPF-SZPZYZBQSA-N 1 0 496.700 4.515 20 0 JJADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Cc2cccc(OCCCOc3ccccc3)c2)C1 ZINC001442672307 1066150701 /nfs/dbraw/zinc/15/07/01/1066150701.db2.gz VWWRXAFXZGSFLZ-OYRHQHFDSA-N 1 0 450.623 4.941 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360986323 1066151445 /nfs/dbraw/zinc/15/14/45/1066151445.db2.gz ASUSBOBWZDWWMR-OAQYLSRUSA-N 1 0 468.671 4.533 20 0 JJADRO Cc1ccc(SCc2cccc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c2)c(C)c1 ZINC001442685331 1066152023 /nfs/dbraw/zinc/15/20/23/1066152023.db2.gz ZBHLRUVRSZACBO-UHFFFAOYSA-N 1 0 456.652 4.941 20 0 JJADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442715632 1066154720 /nfs/dbraw/zinc/15/47/20/1066154720.db2.gz DLUBAPMFSBBYLJ-WMZHIEFXSA-N 1 0 457.590 4.618 20 0 JJADRO CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H](C)[NH+]1CCC(Cc3ccccc3)CC1)CC2 ZINC001442727725 1066156132 /nfs/dbraw/zinc/15/61/32/1066156132.db2.gz YDMVNLPZKLZOHW-OAQYLSRUSA-N 1 0 450.623 4.712 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001360987070 1066156578 /nfs/dbraw/zinc/15/65/78/1066156578.db2.gz RQNZMBDYQWWLAX-HSZRJFAPSA-N 1 0 480.701 4.967 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001360989254 1066160049 /nfs/dbraw/zinc/16/00/49/1066160049.db2.gz BPDVGKWTFOIIOY-OAQYLSRUSA-N 1 0 490.092 4.916 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)C2)n1CCCC[NH+]1CCOCC1 ZINC001360990046 1066165249 /nfs/dbraw/zinc/16/52/49/1066165249.db2.gz PHRAXWYQKVMOAB-LJQANCHMSA-N 1 0 498.018 4.646 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001360990212 1066166451 /nfs/dbraw/zinc/16/64/51/1066166451.db2.gz RCKOVOFHIPYIBV-NNXSRULWSA-N 1 0 490.092 4.627 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCCCCCO ZINC001360991644 1066170265 /nfs/dbraw/zinc/17/02/65/1066170265.db2.gz DQCMFKMDFMBOLS-GMAHTHKFSA-N 1 0 490.092 4.916 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOCC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001360992291 1066171529 /nfs/dbraw/zinc/17/15/29/1066171529.db2.gz MLAINAIPBXIKHX-FGZHOGPDSA-N 1 0 490.092 4.893 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOCC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001360992293 1066171567 /nfs/dbraw/zinc/17/15/67/1066171567.db2.gz MLAINAIPBXIKHX-YADHBBJMSA-N 1 0 490.092 4.893 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001360992797 1066172596 /nfs/dbraw/zinc/17/25/96/1066172596.db2.gz UWMYRZDGSMMLDH-IPVFLDMMSA-N 1 0 490.092 4.770 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOCC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001360993034 1066172950 /nfs/dbraw/zinc/17/29/50/1066172950.db2.gz WYAKDOLYOFHMIE-TZIWHRDSSA-N 1 0 464.054 4.501 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3C[C@H](C)[N@H+](C)Cc3ccccc3)CC2)c(C)o1 ZINC001360994387 1066173632 /nfs/dbraw/zinc/17/36/32/1066173632.db2.gz JQGRHOWFWSZZGX-FQEVSTJZSA-N 1 0 492.668 4.531 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)[C@H]1c1cccs1 ZINC001360996945 1066175504 /nfs/dbraw/zinc/17/55/04/1066175504.db2.gz XAWVZZCJAPIKLU-HJNYFJLDSA-N 1 0 457.640 4.588 20 0 JJADRO Cc1cccc([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCOC(C)C)CC2)c1 ZINC001361004235 1066182487 /nfs/dbraw/zinc/18/24/87/1066182487.db2.gz JYOWWJHDUHFDST-NRFANRHFSA-N 1 0 483.060 4.653 20 0 JJADRO Cc1cc(C)c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001361011762 1066195526 /nfs/dbraw/zinc/19/55/26/1066195526.db2.gz CKYYLCSSDCBJEE-ZRZAMGCNSA-N 1 0 496.700 4.553 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC001361012457 1066198206 /nfs/dbraw/zinc/19/82/06/1066198206.db2.gz YPTFZNZMVCIWRF-QHCPKHFHSA-N 1 0 482.717 4.944 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)c(C)c1 ZINC001361014474 1066201286 /nfs/dbraw/zinc/20/12/86/1066201286.db2.gz ONVJSMONZXHAMF-QFIPXVFZSA-N 1 0 482.698 4.841 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2CC(C)(C)[NH+]2CCCCC2)c(C)c1 ZINC001361014839 1066202214 /nfs/dbraw/zinc/20/22/14/1066202214.db2.gz UGSJGWWIDDVBRI-UHFFFAOYSA-N 1 0 468.690 4.741 20 0 JJADRO Cc1cc(C)cc(CCn2c(Cc3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001361017419 1066206290 /nfs/dbraw/zinc/20/62/90/1066206290.db2.gz SPLTXZUXKJQCPG-UHFFFAOYSA-N 1 0 460.670 4.680 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361017976 1066207370 /nfs/dbraw/zinc/20/73/70/1066207370.db2.gz HEPZGQPFFGLVEQ-DNVJHFABSA-N 1 0 471.715 4.784 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001361020749 1066211104 /nfs/dbraw/zinc/21/11/04/1066211104.db2.gz GJFAABXUTATGHX-JOCHJYFZSA-N 1 0 482.698 4.996 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001361020731 1066211146 /nfs/dbraw/zinc/21/11/46/1066211146.db2.gz FQTCPAMWXPPBCQ-IBGZPJMESA-N 1 0 451.615 4.744 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001361020724 1066211163 /nfs/dbraw/zinc/21/11/63/1066211163.db2.gz FOKMRDPRHFKTRE-OAQYLSRUSA-N 1 0 468.671 4.831 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccsc3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361021371 1066214348 /nfs/dbraw/zinc/21/43/48/1066214348.db2.gz VYZYRPDYWYVVIX-DEOSSOPVSA-N 1 0 471.696 4.609 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CC3CC(F)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001361022094 1066216425 /nfs/dbraw/zinc/21/64/25/1066216425.db2.gz GCUKRRMXHVUIFI-DDRJZQQSSA-N 1 0 457.638 4.923 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001361022572 1066218683 /nfs/dbraw/zinc/21/86/83/1066218683.db2.gz VIKSRZMFYILBSC-HXUWFJFHSA-N 1 0 465.564 4.879 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001361024373 1066221908 /nfs/dbraw/zinc/22/19/08/1066221908.db2.gz LDWWQIFGENMTFT-XPNTWCBSSA-N 1 0 451.615 4.852 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001361024369 1066222139 /nfs/dbraw/zinc/22/21/39/1066222139.db2.gz LDWWQIFGENMTFT-MQSCRBSSSA-N 1 0 451.615 4.852 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361024943 1066223148 /nfs/dbraw/zinc/22/31/48/1066223148.db2.gz RNFWILWYGNYMPE-NOZRDPDXSA-N 1 0 469.674 4.600 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1)OC ZINC001545951985 1066223446 /nfs/dbraw/zinc/22/34/46/1066223446.db2.gz GCZIRZCIXZWWLZ-ISKFKSNPSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2OCCC2(C)C)c1 ZINC001361026407 1066226087 /nfs/dbraw/zinc/22/60/87/1066226087.db2.gz BCNNPTQBWQEXSX-RUZDIDTESA-N 1 0 483.701 4.846 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361026833 1066227607 /nfs/dbraw/zinc/22/76/07/1066227607.db2.gz IANPXHDRDNRNMK-RSXGOPAZSA-N 1 0 483.701 4.703 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001442842346 1066230687 /nfs/dbraw/zinc/23/06/87/1066230687.db2.gz NYDIHTOWDVMUAY-UHFFFAOYSA-N 1 0 451.611 4.743 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001361027769 1066231069 /nfs/dbraw/zinc/23/10/69/1066231069.db2.gz CPARSHHMRSKATC-RBBKRZOGSA-N 1 0 495.590 4.506 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCC[NH+]2CCCC2)c1 ZINC001361028131 1066232005 /nfs/dbraw/zinc/23/20/05/1066232005.db2.gz GYSWBLLLQJCBNQ-UHFFFAOYSA-N 1 0 465.564 4.739 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)/C=C\c3csc(C(F)(F)F)c3)C2)ccn1 ZINC001454006740 1066232777 /nfs/dbraw/zinc/23/27/77/1066232777.db2.gz BTBQLUJBONUYAO-HMECNJMJSA-N 1 0 453.530 4.695 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(N4CCCCCC4)cc3)C2)ccn1 ZINC001454018302 1066235738 /nfs/dbraw/zinc/23/57/38/1066235738.db2.gz VJVTZPKDFAQUDJ-AREMUKBSSA-N 1 0 450.627 4.596 20 0 JJADRO CCSc1ccc(CC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c(Br)c1 ZINC001442877909 1066236082 /nfs/dbraw/zinc/23/60/82/1066236082.db2.gz KOYVQANZJWLAQW-LJQANCHMSA-N 1 0 451.430 4.958 20 0 JJADRO CCCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442879710 1066236318 /nfs/dbraw/zinc/23/63/18/1066236318.db2.gz QVUSEFYTBHEWGL-DHIUTWEWSA-N 1 0 457.659 4.783 20 0 JJADRO CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)O1 ZINC001546056715 1066236134 /nfs/dbraw/zinc/23/61/34/1066236134.db2.gz JBJLZLCNRYBWNQ-RDGATRHJSA-N 1 0 459.704 4.835 20 0 JJADRO Cc1ccc([C@H](CNC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)[NH+]2CCCC2)o1 ZINC001442881255 1066237084 /nfs/dbraw/zinc/23/70/84/1066237084.db2.gz OAJKJEZUBAAIPC-DEOSSOPVSA-N 1 0 459.590 4.527 20 0 JJADRO CCOc1ccc([C@@]2(C(=O)NC[C@@H](c3ccc(C)o3)[NH+]3CCCC3)CC2(Cl)Cl)cc1 ZINC001442891153 1066237969 /nfs/dbraw/zinc/23/79/69/1066237969.db2.gz XSISSGMPJSGDPW-SIKLNZKXSA-N 1 0 451.394 4.755 20 0 JJADRO CC(C)(C)OC(=O)C1(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CCCCC1 ZINC001442900757 1066238053 /nfs/dbraw/zinc/23/80/53/1066238053.db2.gz AGDFYXTZTDTNNF-UHFFFAOYSA-N 1 0 457.615 4.732 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001361031280 1066241713 /nfs/dbraw/zinc/24/17/13/1066241713.db2.gz MYJWAEMQMCBJCB-ZCYQVOJMSA-N 1 0 483.701 4.846 20 0 JJADRO CC[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001545952905 1066246137 /nfs/dbraw/zinc/24/61/37/1066246137.db2.gz QMGOQSDXDOTJJL-XLIONFOSSA-N 1 0 465.564 4.913 20 0 JJADRO CC[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001545952904 1066246430 /nfs/dbraw/zinc/24/64/30/1066246430.db2.gz QMGOQSDXDOTJJL-PXNSSMCTSA-N 1 0 465.564 4.913 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454116390 1066246726 /nfs/dbraw/zinc/24/67/26/1066246726.db2.gz FUWOAYKMPILSGL-PKTZIBPZSA-N 1 0 455.643 4.585 20 0 JJADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nc(Br)sc1Cl ZINC001454124709 1066248671 /nfs/dbraw/zinc/24/86/71/1066248671.db2.gz XJVFISVHVVQESJ-AWEZNQCLSA-N 1 0 454.821 4.591 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545953385 1066250538 /nfs/dbraw/zinc/25/05/38/1066250538.db2.gz XGZYQVOVGNCDFI-CNNODRBYSA-N 1 0 476.065 4.807 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2ccc(C)nc2)c1 ZINC001361035873 1066255094 /nfs/dbraw/zinc/25/50/94/1066255094.db2.gz QSWVPKXHWJPZJW-UHFFFAOYSA-N 1 0 476.669 4.784 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001361038531 1066257190 /nfs/dbraw/zinc/25/71/90/1066257190.db2.gz KUGNCNMWAOMKQQ-MUUNZHRXSA-N 1 0 483.701 4.991 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001361038783 1066258547 /nfs/dbraw/zinc/25/85/47/1066258547.db2.gz OVJQEPXESCSWOC-ZCYQVOJMSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361038996 1066258934 /nfs/dbraw/zinc/25/89/34/1066258934.db2.gz VELTUUCNBJNXCY-PSWAGMNNSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1NC(=O)c1ccc(Br)cc1 ZINC001454265674 1066260175 /nfs/dbraw/zinc/26/01/75/1066260175.db2.gz FRKBPLHLTHBLHM-UHFFFAOYSA-N 1 0 458.400 4.566 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001361039640 1066261872 /nfs/dbraw/zinc/26/18/72/1066261872.db2.gz OULJSPNBFWSPBV-TZIWHRDSSA-N 1 0 471.696 4.780 20 0 JJADRO Cc1cc(C)cc(OCCn2c(Cc3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001361041688 1066265057 /nfs/dbraw/zinc/26/50/57/1066265057.db2.gz GUOLEIVAKFIGOY-UHFFFAOYSA-N 1 0 476.669 4.516 20 0 JJADRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3c(F)ccc(C(F)(F)F)c3Br)C2)c1 ZINC001454307737 1066267585 /nfs/dbraw/zinc/26/75/85/1066267585.db2.gz CUSZXUURVWRWIL-AWEZNQCLSA-N 1 0 459.281 4.920 20 0 JJADRO Cc1cc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CCOCC[NH+](C)C)c2ccccc2n1 ZINC001361044941 1066268698 /nfs/dbraw/zinc/26/86/98/1066268698.db2.gz JBBQLHZPCIZCPM-LJQANCHMSA-N 1 0 464.639 4.639 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001546059696 1066268847 /nfs/dbraw/zinc/26/88/47/1066268847.db2.gz OMIQWIRDDOVFAL-SANMLTNESA-N 1 0 452.647 4.650 20 0 JJADRO Cc1cc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361045533 1066270531 /nfs/dbraw/zinc/27/05/31/1066270531.db2.gz ALVSPFINECGEPI-FGZHOGPDSA-N 1 0 464.658 4.783 20 0 JJADRO CCOCCCn1c2ccccc2nc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001443124904 1066270841 /nfs/dbraw/zinc/27/08/41/1066270841.db2.gz LFWRWHWECJVHSJ-HXUWFJFHSA-N 1 0 456.537 4.559 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CCC[N@@H+](C(C)C)CC2)O1 ZINC001546059909 1066270887 /nfs/dbraw/zinc/27/08/87/1066270887.db2.gz SMUSSNJZKLDDKO-HFZDXXHNSA-N 1 0 487.714 4.847 20 0 JJADRO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)c1 ZINC001454394616 1066276488 /nfs/dbraw/zinc/27/64/88/1066276488.db2.gz BBEYJFQILTZRJC-MKPDMIMOSA-N 1 0 451.586 4.795 20 0 JJADRO C[C@@]12CN(C(=O)CSc3ccccc3Br)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001454405002 1066278980 /nfs/dbraw/zinc/27/89/80/1066278980.db2.gz OORPSLZWXXJIDQ-DHIUTWEWSA-N 1 0 459.453 4.912 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001454404500 1066279336 /nfs/dbraw/zinc/27/93/36/1066279336.db2.gz UNGSSKOJUCPHIE-SVTDKJBASA-N 1 0 453.671 4.659 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N3CCC[C@@H]3C[NH+](C)C)cc12 ZINC001443211226 1066280171 /nfs/dbraw/zinc/28/01/71/1066280171.db2.gz BOVFJLBWGHPZIU-CQSZACIVSA-N 1 0 451.423 4.928 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c1 ZINC001443238494 1066283020 /nfs/dbraw/zinc/28/30/20/1066283020.db2.gz QUSXBJHDQGGOCK-UHFFFAOYSA-N 1 0 456.656 4.711 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC001443259969 1066285600 /nfs/dbraw/zinc/28/56/00/1066285600.db2.gz DBUVDARKNXZFGN-GOSISDBHSA-N 1 0 459.512 4.644 20 0 JJADRO COc1ccc(F)c(OC)c1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001443266756 1066287283 /nfs/dbraw/zinc/28/72/83/1066287283.db2.gz OQTZNXHFHJWGBU-UHFFFAOYSA-N 1 0 454.464 4.598 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)no1 ZINC001361053191 1066288332 /nfs/dbraw/zinc/28/83/32/1066288332.db2.gz BMPCIWHXMGPBOS-IEBWSBKVSA-N 1 0 473.021 4.736 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@H](SC)C1)[NH+]1CCCC1 ZINC001545956688 1066289945 /nfs/dbraw/zinc/28/99/45/1066289945.db2.gz HJBJFMHRQSLLST-MOPGFXCFSA-N 1 0 495.535 4.642 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)C[NH+]2CCCC2)no1 ZINC001361054653 1066290159 /nfs/dbraw/zinc/29/01/59/1066290159.db2.gz AHIWTXIKYIBTBV-UHFFFAOYSA-N 1 0 487.446 4.762 20 0 JJADRO O=C(N[C@H](CCO)c1cc(Cl)cc(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001454480625 1066290624 /nfs/dbraw/zinc/29/06/24/1066290624.db2.gz QGRWAXUOKHIGPU-WOJBJXKFSA-N 1 0 457.348 4.691 20 0 JJADRO O=C(N=c1sccn1Cc1ccc(Cl)cc1Cl)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001443298186 1066291211 /nfs/dbraw/zinc/29/12/11/1066291211.db2.gz UOWZEAOUBQJAFJ-KRWDZBQOSA-N 1 0 456.464 4.550 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)c1cccc(C)c1)[NH+]1CCCC1 ZINC001545956767 1066291346 /nfs/dbraw/zinc/29/13/46/1066291346.db2.gz IVODGPXHBULIIP-LJQANCHMSA-N 1 0 471.447 4.997 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)no1 ZINC001361054857 1066291581 /nfs/dbraw/zinc/29/15/81/1066291581.db2.gz IXNTUQCDPOJECY-CABCVRRESA-N 1 0 493.475 4.822 20 0 JJADRO Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C3)cc1 ZINC001443301883 1066292434 /nfs/dbraw/zinc/29/24/34/1066292434.db2.gz GDNUXOAFHVOFCP-SANMLTNESA-N 1 0 452.574 4.736 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccco1)C(C)C)[NH+]1CCCC1 ZINC001545957239 1066298022 /nfs/dbraw/zinc/29/80/22/1066298022.db2.gz SAVIKQGKTWGVLW-LJQANCHMSA-N 1 0 489.462 4.929 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001443356666 1066300095 /nfs/dbraw/zinc/30/00/95/1066300095.db2.gz JSKMKIBKOBEMQD-HHHXNRCGSA-N 1 0 457.659 4.627 20 0 JJADRO CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC001443357375 1066300360 /nfs/dbraw/zinc/30/03/60/1066300360.db2.gz NZJVBNNUHWIGIG-QHCPKHFHSA-N 1 0 456.030 4.538 20 0 JJADRO Cc1cc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CC2CC[NH+](CCC(C)C)CC2)no1 ZINC001361061075 1066301015 /nfs/dbraw/zinc/30/10/15/1066301015.db2.gz CUIUFBLEKFUFRE-UHFFFAOYSA-N 1 0 486.611 4.838 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545957462 1066301942 /nfs/dbraw/zinc/30/19/42/1066301942.db2.gz WQOHUMSEOCVZTI-HKUYNNGSSA-N 1 0 477.495 4.793 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)c(Cl)c1 ZINC001454573470 1066303011 /nfs/dbraw/zinc/30/30/11/1066303011.db2.gz DSGFDXOSUPKPCR-WBAXXEDZSA-N 1 0 458.430 4.652 20 0 JJADRO Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001454575662 1066303725 /nfs/dbraw/zinc/30/37/25/1066303725.db2.gz HQMWOMAHSYGUJC-SFHVURJKSA-N 1 0 453.995 4.619 20 0 JJADRO Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC001443389927 1066304875 /nfs/dbraw/zinc/30/48/75/1066304875.db2.gz PRCWYJANHYPRJX-UHFFFAOYSA-N 1 0 455.599 4.792 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)no1 ZINC001361066925 1066307272 /nfs/dbraw/zinc/30/72/72/1066307272.db2.gz XWJUIHUMVNHGTQ-IUVOSCESSA-N 1 0 472.678 4.640 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001545958325 1066308613 /nfs/dbraw/zinc/30/86/13/1066308613.db2.gz AYAKBZOIDHIKLT-ATZDWAIDSA-N 1 0 471.955 4.629 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001545958365 1066309067 /nfs/dbraw/zinc/30/90/67/1066309067.db2.gz BMOWFBZHMNXWRH-UIFIKXQLSA-N 1 0 489.064 4.575 20 0 JJADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC001443432349 1066310876 /nfs/dbraw/zinc/31/08/76/1066310876.db2.gz WOXNXLCRKFMGQF-UHFFFAOYSA-N 1 0 456.700 4.664 20 0 JJADRO CCNc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1Cl ZINC001454630741 1066312552 /nfs/dbraw/zinc/31/25/52/1066312552.db2.gz AIVTWWVSJQUKCS-LADGPHEKSA-N 1 0 464.997 4.573 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2c(Cl)cncc2Cl)cc1 ZINC001454634277 1066313084 /nfs/dbraw/zinc/31/30/84/1066313084.db2.gz NJADTWZLFLNGSL-SIKLNZKXSA-N 1 0 456.373 4.795 20 0 JJADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC001443459495 1066314346 /nfs/dbraw/zinc/31/43/46/1066314346.db2.gz IDEODKZRHWKZLO-UHFFFAOYSA-N 1 0 451.014 4.559 20 0 JJADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)CC1 ZINC001443469596 1066315607 /nfs/dbraw/zinc/31/56/07/1066315607.db2.gz YGRMMSPZMOROFR-UHFFFAOYSA-N 1 0 457.043 4.620 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)OC ZINC001545958884 1066315964 /nfs/dbraw/zinc/31/59/64/1066315964.db2.gz MWPOBJZEBQEHTK-HXUWFJFHSA-N 1 0 493.494 4.553 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001546064240 1066317621 /nfs/dbraw/zinc/31/76/21/1066317621.db2.gz LLRJJIZCQFUDPX-BCHFMIIMSA-N 1 0 499.681 4.962 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001454665746 1066318519 /nfs/dbraw/zinc/31/85/19/1066318519.db2.gz FGYQDFCCDUMFNW-RPWUZVMVSA-N 1 0 451.611 4.813 20 0 JJADRO Cc1cc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)cc(N2CCCC2)[nH+]1 ZINC001361078622 1066318547 /nfs/dbraw/zinc/31/85/47/1066318547.db2.gz WIMKMBYUGGGYOM-PGUFJCEWSA-N 1 0 494.709 4.592 20 0 JJADRO CC[C@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+]1CCCC1 ZINC001545959382 1066321320 /nfs/dbraw/zinc/32/13/20/1066321320.db2.gz VDJPHMWHGZLZRK-TZIWHRDSSA-N 1 0 485.673 4.718 20 0 JJADRO Cc1cc(CN2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCC[N@@H+](C)C(C)C)CC2)no1 ZINC001361083620 1066322300 /nfs/dbraw/zinc/32/23/00/1066322300.db2.gz DQITYFOSESWLLO-UHFFFAOYSA-N 1 0 493.700 4.592 20 0 JJADRO CCCC[NH+]1CCC(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CC1 ZINC001443532003 1066324573 /nfs/dbraw/zinc/32/45/73/1066324573.db2.gz AVZPXCIVOCPXBY-UHFFFAOYSA-N 1 0 456.427 4.563 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001546064806 1066327014 /nfs/dbraw/zinc/32/70/14/1066327014.db2.gz WQEPZOJNZKLPRU-FGZHOGPDSA-N 1 0 478.504 4.771 20 0 JJADRO Nc1cc(Br)c(F)cc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001443541485 1066327400 /nfs/dbraw/zinc/32/74/00/1066327400.db2.gz RENANSXOUZFFOY-UHFFFAOYSA-N 1 0 454.771 4.562 20 0 JJADRO COc1ccc(C2(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CCC2)cc1OC ZINC001443579099 1066331313 /nfs/dbraw/zinc/33/13/13/1066331313.db2.gz KQXAYGVGRYSVEH-UHFFFAOYSA-N 1 0 457.014 4.807 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001361088823 1066333318 /nfs/dbraw/zinc/33/33/18/1066333318.db2.gz LYKAQHCTDKEXRR-RXVVDRJESA-N 1 0 472.033 4.994 20 0 JJADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc(F)c(F)cc3I)c2C1 ZINC001546065368 1066334051 /nfs/dbraw/zinc/33/40/51/1066334051.db2.gz MTUBXRWVAFVIIC-UHFFFAOYSA-N 1 0 456.274 4.793 20 0 JJADRO CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001443600199 1066335457 /nfs/dbraw/zinc/33/54/57/1066335457.db2.gz GOCBFCLLNSQNAD-NDEPHWFRSA-N 1 0 456.634 4.643 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC[NH+]2CCCC2)C1 ZINC001546065932 1066337634 /nfs/dbraw/zinc/33/76/34/1066337634.db2.gz CJZNAMFXJDGFPC-HSZRJFAPSA-N 1 0 476.463 4.829 20 0 JJADRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)C1 ZINC001443615575 1066337903 /nfs/dbraw/zinc/33/79/03/1066337903.db2.gz BWOGGWFHCVTFLQ-GPXOXTDOSA-N 1 0 454.659 4.822 20 0 JJADRO COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001454886021 1066338495 /nfs/dbraw/zinc/33/84/95/1066338495.db2.gz XSJYXNFKJFYYHS-NRFANRHFSA-N 1 0 453.558 4.614 20 0 JJADRO CCCN(C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443623604 1066338970 /nfs/dbraw/zinc/33/89/70/1066338970.db2.gz KIWPVAYYTKQCLM-XUZZJYLKSA-N 1 0 457.659 4.578 20 0 JJADRO CCCOc1ccccc1C(=O)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001454892505 1066339586 /nfs/dbraw/zinc/33/95/86/1066339586.db2.gz LIKSNPLJPWOVHR-RRPNLBNLSA-N 1 0 470.613 4.999 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CC=CCO1 ZINC001361091072 1066340657 /nfs/dbraw/zinc/34/06/57/1066340657.db2.gz MJPXXFSWAIXVPA-QFIPXVFZSA-N 1 0 488.076 4.517 20 0 JJADRO Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443630523 1066340716 /nfs/dbraw/zinc/34/07/16/1066340716.db2.gz IAULJXJOXBKZCR-UHFFFAOYSA-N 1 0 457.899 4.748 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001546066556 1066341307 /nfs/dbraw/zinc/34/13/07/1066341307.db2.gz QPRZZJZONMDXCI-PMACEKPBSA-N 1 0 484.533 4.833 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](C(C)C)CC2)n1CCC1(C)CC1 ZINC001361091672 1066341649 /nfs/dbraw/zinc/34/16/49/1066341649.db2.gz SLJFYAIPYRWVSS-UHFFFAOYSA-N 1 0 460.066 4.972 20 0 JJADRO Cc1cccc(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001361099928 1066349728 /nfs/dbraw/zinc/34/97/28/1066349728.db2.gz PSDSIJHFDRPEGM-RXFWQSSRSA-N 1 0 461.614 4.512 20 0 JJADRO Cc1cccc(N(C)c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCSCC2)c1 ZINC001361100128 1066349962 /nfs/dbraw/zinc/34/99/62/1066349962.db2.gz XPHGCXKPSBMPQS-UHFFFAOYSA-N 1 0 478.485 4.894 20 0 JJADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC001454997409 1066350730 /nfs/dbraw/zinc/35/07/30/1066350730.db2.gz BGSKLGKYACGNPY-UHFFFAOYSA-N 1 0 450.623 4.748 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@@H](COC)C1)[NH+]1CCCC1 ZINC001545961323 1066355256 /nfs/dbraw/zinc/35/52/56/1066355256.db2.gz SWEZBIRKVUREEZ-DENIHFKCSA-N 1 0 490.490 4.835 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@@H](COC)C1)[NH+]1CCCC1 ZINC001545961324 1066355320 /nfs/dbraw/zinc/35/53/20/1066355320.db2.gz SWEZBIRKVUREEZ-KNQAVFIVSA-N 1 0 490.490 4.835 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001546068602 1066360105 /nfs/dbraw/zinc/36/01/05/1066360105.db2.gz SILLYVGBILBSJQ-NTKDMRAZSA-N 1 0 490.490 4.691 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3cccc(C)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC001361112161 1066362883 /nfs/dbraw/zinc/36/28/83/1066362883.db2.gz NIBKZPDMJGAYEY-QFIPXVFZSA-N 1 0 451.615 4.791 20 0 JJADRO CC(C)(C)OC(=O)NCC1(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CCCCC1 ZINC001443763417 1066363905 /nfs/dbraw/zinc/36/39/05/1066363905.db2.gz UOGHRFFDHRJOPQ-JLHYYAGUSA-N 1 0 455.643 4.709 20 0 JJADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC001443777555 1066367182 /nfs/dbraw/zinc/36/71/82/1066367182.db2.gz WLXCKVJEFKLSTF-XLIONFOSSA-N 1 0 456.412 4.631 20 0 JJADRO CN(C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001443781889 1066367362 /nfs/dbraw/zinc/36/73/62/1066367362.db2.gz RWPTZYDMRFKINO-QFIPXVFZSA-N 1 0 457.703 4.547 20 0 JJADRO CC(C)N1C(=O)C[C@@H](C(=O)N(C)CCCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001455200357 1066369814 /nfs/dbraw/zinc/36/98/14/1066369814.db2.gz UYSZXJHASPWZHH-XXBNENTESA-N 1 0 452.014 4.502 20 0 JJADRO Cc1ccc(C(=O)N2CCN(c3nnc(CC4CCCC4)n3CCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC001361118382 1066369952 /nfs/dbraw/zinc/36/99/52/1066369952.db2.gz YQLZUBBUABRNRR-UHFFFAOYSA-N 1 0 494.728 4.791 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC001443804758 1066370026 /nfs/dbraw/zinc/37/00/26/1066370026.db2.gz SCQYHRJVXMIJER-HSZRJFAPSA-N 1 0 452.002 4.664 20 0 JJADRO C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001443828967 1066372636 /nfs/dbraw/zinc/37/26/36/1066372636.db2.gz ZGEOVDUNQGWXJA-FOFDUXLLSA-N 1 0 455.643 4.738 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545962550 1066373455 /nfs/dbraw/zinc/37/34/55/1066373455.db2.gz FNPDHSPFEINJQH-OAQYLSRUSA-N 1 0 488.677 4.706 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[NH+]1CCCCC1 ZINC001361123624 1066374487 /nfs/dbraw/zinc/37/44/87/1066374487.db2.gz HYAHNVWQKNXXMT-UHFFFAOYSA-N 1 0 493.700 4.762 20 0 JJADRO CCC1([NH+]2CCCCC2)CCN(C(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001455251574 1066375120 /nfs/dbraw/zinc/37/51/20/1066375120.db2.gz HDXPQJVESGWAIG-QHCPKHFHSA-N 1 0 457.659 4.770 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)cc1Cl ZINC001443851213 1066376305 /nfs/dbraw/zinc/37/63/05/1066376305.db2.gz QMGNOQUESZOIEX-UHFFFAOYSA-N 1 0 456.949 4.736 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3cnccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361124100 1066377038 /nfs/dbraw/zinc/37/70/38/1066377038.db2.gz WZFKRXWMDGBZCT-HSZRJFAPSA-N 1 0 491.684 4.836 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1 ZINC001455271087 1066377786 /nfs/dbraw/zinc/37/77/86/1066377786.db2.gz AOSVMDJEOOZJRI-DHIUTWEWSA-N 1 0 457.659 4.831 20 0 JJADRO CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001455277419 1066379326 /nfs/dbraw/zinc/37/93/26/1066379326.db2.gz WENAGXAWFMGHLN-JOCHJYFZSA-N 1 0 455.643 4.585 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001361125969 1066381169 /nfs/dbraw/zinc/38/11/69/1066381169.db2.gz IDRUEACSCYSTFB-SMIHKQSGSA-N 1 0 483.701 4.761 20 0 JJADRO O=C(/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001455312949 1066382566 /nfs/dbraw/zinc/38/25/66/1066382566.db2.gz YYNDHPFPQWITNH-QYJRXKHCSA-N 1 0 456.533 4.588 20 0 JJADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)C1 ZINC001443897525 1066382636 /nfs/dbraw/zinc/38/26/36/1066382636.db2.gz QDQINUZVWZVUJD-URXFXBBRSA-N 1 0 451.611 4.671 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361126263 1066382943 /nfs/dbraw/zinc/38/29/43/1066382943.db2.gz PDVJBGPGAYSQEA-FCHUYYIVSA-N 1 0 469.674 4.777 20 0 JJADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)C1 ZINC001443897522 1066383083 /nfs/dbraw/zinc/38/30/83/1066383083.db2.gz QDQINUZVWZVUJD-QPPBQGQZSA-N 1 0 451.611 4.671 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCCOC(F)F)c1 ZINC001361126301 1066383704 /nfs/dbraw/zinc/38/37/04/1066383704.db2.gz PWDBSPSNHYLPPO-WOJBJXKFSA-N 1 0 477.600 4.591 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCCC1 ZINC001545963180 1066385142 /nfs/dbraw/zinc/38/51/42/1066385142.db2.gz RAVOHHDIXTYLAV-ICSRJNTNSA-N 1 0 476.463 4.506 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001361126563 1066385259 /nfs/dbraw/zinc/38/52/59/1066385259.db2.gz UYCRSMHGSIVJOO-VXNXHJTFSA-N 1 0 483.701 4.618 20 0 JJADRO CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC001455392139 1066386031 /nfs/dbraw/zinc/38/60/31/1066386031.db2.gz MESRGKWJKQIHKP-OAQYLSRUSA-N 1 0 455.574 4.744 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361126715 1066386019 /nfs/dbraw/zinc/38/60/19/1066386019.db2.gz ZBNRTLGCYXMJSQ-VABKMULXSA-N 1 0 469.674 4.634 20 0 JJADRO C[C@@H]([NH2+]C1(CNC(=O)c2cc(-c3cccc(Cl)c3F)no2)CCOCC1)c1ccccc1 ZINC001443927579 1066386244 /nfs/dbraw/zinc/38/62/44/1066386244.db2.gz ODBFKIDSEDHFJE-MRXNPFEDSA-N 1 0 457.933 4.764 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([NH+](CC)CC)CC1)OC ZINC001545963334 1066387616 /nfs/dbraw/zinc/38/76/16/1066387616.db2.gz UVJLOSGOKOZLIB-HXUWFJFHSA-N 1 0 478.479 4.752 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CCC=CO2)c1 ZINC001361128001 1066390430 /nfs/dbraw/zinc/39/04/30/1066390430.db2.gz QSGRHROEOCCJNN-HSZRJFAPSA-N 1 0 467.658 4.902 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@](C)(O)c2ccco2)c1 ZINC001361127942 1066390489 /nfs/dbraw/zinc/39/04/89/1066390489.db2.gz QOIUFPLGMVMGGF-NDEPHWFRSA-N 1 0 495.668 4.756 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCCCC3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001361128267 1066391450 /nfs/dbraw/zinc/39/14/50/1066391450.db2.gz VVLCOEAKYUZSCS-UHFFFAOYSA-N 1 0 496.744 4.943 20 0 JJADRO Cc1noc(C)c1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001361129541 1066393268 /nfs/dbraw/zinc/39/32/68/1066393268.db2.gz AAQCZBHSKXUUEE-UHFFFAOYSA-N 1 0 480.657 4.720 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@]2(C)CCCO2)c1 ZINC001361129907 1066394404 /nfs/dbraw/zinc/39/44/04/1066394404.db2.gz GCRGSDXIEDNRJV-MHZLTWQESA-N 1 0 469.674 4.779 20 0 JJADRO Cc1n[nH]cc1CCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001361130107 1066394834 /nfs/dbraw/zinc/39/48/34/1066394834.db2.gz JKBVTTPCCSXYMX-UHFFFAOYSA-N 1 0 493.700 4.874 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(F)(F)F)c1 ZINC001361130319 1066395572 /nfs/dbraw/zinc/39/55/72/1066395572.db2.gz MENMEYGZCZXCSI-UHFFFAOYSA-N 1 0 453.553 4.629 20 0 JJADRO C[C@@H]1C[C@H](C(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001455496006 1066398179 /nfs/dbraw/zinc/39/81/79/1066398179.db2.gz NNNRDEQKVQAUJQ-FYYLOGMGSA-N 1 0 457.659 4.973 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(Nc3cnn(C)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361131288 1066398771 /nfs/dbraw/zinc/39/87/71/1066398771.db2.gz DJNJGJVRYHVJOA-QHCPKHFHSA-N 1 0 465.646 4.886 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(Nc3cnn(C)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361131287 1066398939 /nfs/dbraw/zinc/39/89/39/1066398939.db2.gz DJNJGJVRYHVJOA-HSZRJFAPSA-N 1 0 465.646 4.886 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCC2)C1 ZINC001546073291 1066399720 /nfs/dbraw/zinc/39/97/20/1066399720.db2.gz QVRWXFDJHXHMOV-RLWLMLJZSA-N 1 0 474.694 4.505 20 0 JJADRO CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001455508976 1066400929 /nfs/dbraw/zinc/40/09/29/1066400929.db2.gz HSZGVLHAUOUCPV-BCHFMIIMSA-N 1 0 453.558 4.767 20 0 JJADRO CC(C)(C)c1csc(C2CCN(C(=O)CCC[NH+]3CCN(c4ccccc4)CC3)CC2)n1 ZINC001444082308 1066401566 /nfs/dbraw/zinc/40/15/66/1066401566.db2.gz JITXRWOXIWMSNH-UHFFFAOYSA-N 1 0 454.684 4.749 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361132185 1066401785 /nfs/dbraw/zinc/40/17/85/1066401785.db2.gz VHQLZYWCARIFBL-CPJSRVTESA-N 1 0 489.755 4.668 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001361132045 1066401829 /nfs/dbraw/zinc/40/18/29/1066401829.db2.gz UBJFFYKGNFJHTN-QFIPXVFZSA-N 1 0 471.715 4.961 20 0 JJADRO O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001444084631 1066402226 /nfs/dbraw/zinc/40/22/26/1066402226.db2.gz GZMHTNHTSGRICV-YVMONPNESA-N 1 0 452.904 4.645 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)=C(Br)C1)[NH+]1CCCC1 ZINC001545964253 1066403978 /nfs/dbraw/zinc/40/39/78/1066403978.db2.gz ALGSMKKORMEPOP-QGZVFWFLSA-N 1 0 479.854 4.747 20 0 JJADRO CCC(CC)(CNC(=O)Cn1c(=O)sc(C)c1-c1ccccc1)[NH2+][C@H](C)c1ccccc1 ZINC001444089274 1066403804 /nfs/dbraw/zinc/40/38/04/1066403804.db2.gz GZOGXRXKNKPOQX-LJQANCHMSA-N 1 0 451.636 4.911 20 0 JJADRO C[C@H]([NH2+]C1(CNC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CCCC1)c1ccccc1 ZINC001444088600 1066403884 /nfs/dbraw/zinc/40/38/84/1066403884.db2.gz LKSIRWQFDQYVIZ-KRWDZBQOSA-N 1 0 457.500 4.680 20 0 JJADRO CCC(CC)(CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[NH2+][C@@H](C)c1ccccc1 ZINC001444095303 1066405633 /nfs/dbraw/zinc/40/56/33/1066405633.db2.gz UJSDJINOHQGNMM-KRWDZBQOSA-N 1 0 459.516 4.926 20 0 JJADRO 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CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(C[NH+](C)C)c(C(F)(F)F)c3)c2C1 ZINC001455650862 1066419678 /nfs/dbraw/zinc/41/96/78/1066419678.db2.gz SALGJIAOCVUDSO-UHFFFAOYSA-N 1 0 456.512 4.946 20 0 JJADRO Cc1ccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)OC(C)(C)C2)[NH+](C)C)cc1 ZINC001361141265 1066420114 /nfs/dbraw/zinc/42/01/14/1066420114.db2.gz LVYXPSULTHTBMB-CAUSLRQDSA-N 1 0 483.701 4.812 20 0 JJADRO Cc1ccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)OC(C)(C)C2)[NH+](C)C)cc1 ZINC001361141267 1066420182 /nfs/dbraw/zinc/42/01/82/1066420182.db2.gz LVYXPSULTHTBMB-MSNJVRRCSA-N 1 0 483.701 4.812 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC001361141285 1066420217 /nfs/dbraw/zinc/42/02/17/1066420217.db2.gz MBPBIDWKLCDLJJ-MSYCTHLASA-N 1 0 452.672 4.870 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001361141646 1066421818 /nfs/dbraw/zinc/42/18/18/1066421818.db2.gz PNCKAOPRUISQOE-NRFANRHFSA-N 1 0 466.680 4.943 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CC[N@@H+]1C1CCCC1 ZINC001455686572 1066424258 /nfs/dbraw/zinc/42/42/58/1066424258.db2.gz IGYLSRSEVRXHGE-HXUWFJFHSA-N 1 0 457.684 4.659 20 0 JJADRO CC(C)C[C@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC001444196281 1066427444 /nfs/dbraw/zinc/42/74/44/1066427444.db2.gz JTHFBMQZCMYCKQ-DEOSSOPVSA-N 1 0 456.030 4.612 20 0 JJADRO CCCOc1ccc(C(=O)c2ccccc2C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1OCCC ZINC001455764770 1066429026 /nfs/dbraw/zinc/42/90/26/1066429026.db2.gz ZQAGIUQWHWGVBK-FCHUYYIVSA-N 1 0 464.606 4.804 20 0 JJADRO C[C@@H]1CCC[C@@H](C)N(C(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001444217565 1066430982 /nfs/dbraw/zinc/43/09/82/1066430982.db2.gz JPRHVJQPXVASNZ-FGZHOGPDSA-N 1 0 457.659 4.973 20 0 JJADRO C[C@@H]1CCC[C@H](C)N(C(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001444217586 1066431047 /nfs/dbraw/zinc/43/10/47/1066431047.db2.gz JPRHVJQPXVASNZ-YADHBBJMSA-N 1 0 457.659 4.973 20 0 JJADRO 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CC[C@H](Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001545966230 1066431811 /nfs/dbraw/zinc/43/18/11/1066431811.db2.gz AMNGEFWIZYXKNJ-AOHZBQACSA-N 1 0 469.674 4.858 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CC[N@H+](C)C2CCCC2)s1 ZINC001361148303 1066434229 /nfs/dbraw/zinc/43/42/29/1066434229.db2.gz GTFHKSAKXHUVHH-UHFFFAOYSA-N 1 0 468.671 4.750 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CC3CC(F)C3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001361148432 1066435263 /nfs/dbraw/zinc/43/52/63/1066435263.db2.gz KMXLUUNRYRGOBO-DDRJZQQSSA-N 1 0 457.638 4.923 20 0 JJADRO Cc1ccc(C)n1-c1c(C(=O)Nc2ccc(C[N@H+](C)CCOc3ccccc3)cc2)cnn1C ZINC001455808728 1066435388 /nfs/dbraw/zinc/43/53/88/1066435388.db2.gz BFEZGPRECHCNIO-UHFFFAOYSA-N 1 0 457.578 4.591 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361148728 1066436626 /nfs/dbraw/zinc/43/66/26/1066436626.db2.gz UVEUFAYJEWJFRE-JRFVFWCSSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361151902 1066444803 /nfs/dbraw/zinc/44/48/03/1066444803.db2.gz GFERXMDCRNGNNI-LVXARBLLSA-N 1 0 471.715 4.784 20 0 JJADRO Cc1csc(C[C@H]2CCCN(C(=O)[C@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001455887520 1066446244 /nfs/dbraw/zinc/44/62/44/1066446244.db2.gz KQFUWCYBAPVXSV-KNQAVFIVSA-N 1 0 451.558 4.687 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361152492 1066446462 /nfs/dbraw/zinc/44/64/62/1066446462.db2.gz MMYUDDGRUIOJFZ-DHIUTWEWSA-N 1 0 469.674 4.598 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)C1CCCCC1)[NH+]1CCCC1 ZINC001545966818 1066450477 /nfs/dbraw/zinc/45/04/77/1066450477.db2.gz KYTJTXRSJOHGKB-FQEVSTJZSA-N 1 0 455.647 4.996 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Cc3ccccc3OCc3ccncc3)cc2)CC1 ZINC001444342399 1066451699 /nfs/dbraw/zinc/45/16/99/1066451699.db2.gz FVDXBYLQQJXSFM-UHFFFAOYSA-N 1 0 458.606 4.620 20 0 JJADRO Cc1nc(C)c(Cn2c(COc3cc(C)ccc3C)nnc2N2CCC([NH2+]C(C)C)CC2)s1 ZINC001361155192 1066453063 /nfs/dbraw/zinc/45/30/63/1066453063.db2.gz OQZKTFXBWGFMBS-UHFFFAOYSA-N 1 0 468.671 4.562 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2)CC1 ZINC001444352261 1066453921 /nfs/dbraw/zinc/45/39/21/1066453921.db2.gz PEJIZSJFQTVSGG-UHFFFAOYSA-N 1 0 456.030 4.805 20 0 JJADRO CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)c1 ZINC001444362466 1066455358 /nfs/dbraw/zinc/45/53/58/1066455358.db2.gz MAIFKYFDFZFMCN-UHFFFAOYSA-N 1 0 450.560 4.731 20 0 JJADRO Cc1sc(CCNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)nc1-c1ccccc1 ZINC001444383109 1066456806 /nfs/dbraw/zinc/45/68/06/1066456806.db2.gz GBWWDYQVEQPHAI-UHFFFAOYSA-N 1 0 459.619 4.516 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCSC(F)(F)F)c1 ZINC001361156099 1066457500 /nfs/dbraw/zinc/45/75/00/1066457500.db2.gz NHQXCZOBGHHHIC-LJQANCHMSA-N 1 0 483.604 4.792 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361156304 1066458193 /nfs/dbraw/zinc/45/81/93/1066458193.db2.gz SEWNOJPHAFKQFY-OYDLWJJNSA-N 1 0 469.674 4.600 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC(F)(F)F)[NH+]1CCCC1 ZINC001545967029 1066458269 /nfs/dbraw/zinc/45/82/69/1066458269.db2.gz OPKCSLGZUJGVAI-SFHVURJKSA-N 1 0 469.552 4.614 20 0 JJADRO COc1cc(CCC(=O)N(CC[NH+]2CCCC2)c2ccccc2)ccc1OCC(F)(F)F ZINC001444425678 1066461371 /nfs/dbraw/zinc/46/13/71/1066461371.db2.gz VMUGGRPNVBZZKA-UHFFFAOYSA-N 1 0 450.501 4.698 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2CCSC2(C)C)c1 ZINC001361158938 1066462707 /nfs/dbraw/zinc/46/27/07/1066462707.db2.gz JCOKQJYIHGGELY-QFIPXVFZSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361160003 1066466545 /nfs/dbraw/zinc/46/65/45/1066466545.db2.gz RAGILDFEPJGJIF-NDEPHWFRSA-N 1 0 483.701 4.726 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cn4cc(Cl)cc(Cl)c4n3)cc2F)CC1 ZINC001455988851 1066467924 /nfs/dbraw/zinc/46/79/24/1066467924.db2.gz XKWQVUPHVLVKCV-UHFFFAOYSA-N 1 0 450.345 4.563 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CCc4cccs4)CC3)n2CCC(C)C)c1 ZINC001361161940 1066468385 /nfs/dbraw/zinc/46/83/85/1066468385.db2.gz CVXVIKRZEYAKNF-UHFFFAOYSA-N 1 0 467.683 4.946 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001444500318 1066468920 /nfs/dbraw/zinc/46/89/20/1066468920.db2.gz GDOJITRXKDIZSK-UHFFFAOYSA-N 1 0 455.643 4.681 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001361162999 1066471591 /nfs/dbraw/zinc/47/15/91/1066471591.db2.gz JNHNYMDGUBDQBS-YADHBBJMSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001361162996 1066471608 /nfs/dbraw/zinc/47/16/08/1066471608.db2.gz JNHNYMDGUBDQBS-FCHUYYIVSA-N 1 0 457.688 4.680 20 0 JJADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)C1 ZINC001456009850 1066471656 /nfs/dbraw/zinc/47/16/56/1066471656.db2.gz LACLPPZNXLSPAB-SFHVURJKSA-N 1 0 452.352 4.770 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)cc1)C(C)C ZINC001361163222 1066471738 /nfs/dbraw/zinc/47/17/38/1066471738.db2.gz JWRCEDRFGMDDRG-UHFFFAOYSA-N 1 0 454.567 4.634 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1sc(SC(F)(F)F)nc1C ZINC001444561951 1066476434 /nfs/dbraw/zinc/47/64/34/1066476434.db2.gz XBILTVQHPFMTEA-KRWDZBQOSA-N 1 0 457.587 4.977 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3CCCCC[NH+]3CCCC3)CC2)cc1 ZINC001361165416 1066476255 /nfs/dbraw/zinc/47/62/55/1066476255.db2.gz GVKDUVUBIZYSLS-UHFFFAOYSA-N 1 0 480.701 4.549 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001361164587 1066476363 /nfs/dbraw/zinc/47/63/63/1066476363.db2.gz AOCIYMJQCVERMO-OAQYLSRUSA-N 1 0 456.030 4.596 20 0 JJADRO Cc1cccc(-n2ccnc2SCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC001444562932 1066477172 /nfs/dbraw/zinc/47/71/72/1066477172.db2.gz GELRBNJFUILEIS-CVDCTZTESA-N 1 0 454.665 4.842 20 0 JJADRO Cc1cccc(-n2ccnc2SCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC001444562936 1066477223 /nfs/dbraw/zinc/47/72/23/1066477223.db2.gz GELRBNJFUILEIS-WMZHIEFXSA-N 1 0 454.665 4.842 20 0 JJADRO Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCCC3)C2)cc1 ZINC001361166921 1066479397 /nfs/dbraw/zinc/47/93/97/1066479397.db2.gz BUUSJVOCCKQNFG-HHHXNRCGSA-N 1 0 453.675 4.539 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C[C@@H]1C ZINC001444614542 1066483728 /nfs/dbraw/zinc/48/37/28/1066483728.db2.gz KJNZAWABGGQZKL-ICSRJNTNSA-N 1 0 455.002 4.600 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361169666 1066484250 /nfs/dbraw/zinc/48/42/50/1066484250.db2.gz ITYZRBVFCOHYIO-SIKLNZKXSA-N 1 0 455.578 4.540 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H]3CCCN(c4ccccc4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361170990 1066486436 /nfs/dbraw/zinc/48/64/36/1066486436.db2.gz KTPHCRGXPRVHCZ-BJKOFHAPSA-N 1 0 464.658 4.928 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H]3CCCN(c4ccccc4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361170991 1066486509 /nfs/dbraw/zinc/48/65/09/1066486509.db2.gz KTPHCRGXPRVHCZ-DNQXCXABSA-N 1 0 464.658 4.928 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cnc(Cl)c4ccccc34)CC2)c1C ZINC001456038739 1066487034 /nfs/dbraw/zinc/48/70/34/1066487034.db2.gz NGRILBULGCVCOM-UHFFFAOYSA-N 1 0 452.986 4.645 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2CCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC001361171506 1066487182 /nfs/dbraw/zinc/48/71/82/1066487182.db2.gz VMPHCRPFCPHCNV-VXKWHMMOSA-N 1 0 451.615 4.589 20 0 JJADRO Cc1ccc(NC(=O)c2cc(Br)cc(Br)c2)c(OCC[NH+](C)C)c1 ZINC001444644933 1066487249 /nfs/dbraw/zinc/48/72/49/1066487249.db2.gz BGOMSJRBNIIXPB-UHFFFAOYSA-N 1 0 456.178 4.713 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2Br)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001545968316 1066487438 /nfs/dbraw/zinc/48/74/38/1066487438.db2.gz CDRYIKRFKCJXCG-GOSISDBHSA-N 1 0 490.490 4.976 20 0 JJADRO CC(C)(CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)c1ccccc1 ZINC001444647633 1066488033 /nfs/dbraw/zinc/48/80/33/1066488033.db2.gz IPWCABODSCVAIO-UHFFFAOYSA-N 1 0 459.428 4.776 20 0 JJADRO CCCCc1nc(C)c(CC(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)s1 ZINC001444646876 1066488052 /nfs/dbraw/zinc/48/80/52/1066488052.db2.gz HMILSRPMTJHMBW-UHFFFAOYSA-N 1 0 450.048 4.650 20 0 JJADRO O=C(CC/C=C/c1ccccc1)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC001444655260 1066489726 /nfs/dbraw/zinc/48/97/26/1066489726.db2.gz ZCTZFKXPEKTBLT-XBXARRHUSA-N 1 0 457.412 4.902 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCC[N@H+]2CCCC[C@H]2C)cc1Br ZINC001361174466 1066491325 /nfs/dbraw/zinc/49/13/25/1066491325.db2.gz RRNFLDDTUJKDFI-QUCCMNQESA-N 1 0 476.463 4.506 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[NH+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001545968493 1066492803 /nfs/dbraw/zinc/49/28/03/1066492803.db2.gz GPZPWQFBNJUFJS-OAQYLSRUSA-N 1 0 482.673 4.621 20 0 JJADRO COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)s1 ZINC001361176656 1066494631 /nfs/dbraw/zinc/49/46/31/1066494631.db2.gz TYSTWVHWUANWAU-UHFFFAOYSA-N 1 0 458.628 4.790 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)s3)n2CC[N@@H+](C)C(C)C)o1 ZINC001361177559 1066495751 /nfs/dbraw/zinc/49/57/51/1066495751.db2.gz IZHKGBFHGSZHQW-UHFFFAOYSA-N 1 0 452.422 4.647 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001546078912 1066496016 /nfs/dbraw/zinc/49/60/16/1066496016.db2.gz BOFJBTIIFDNRCN-KYALDGGBSA-N 1 0 496.700 4.978 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccnc(-c2ccccn2)n1 ZINC001456058267 1066497395 /nfs/dbraw/zinc/49/73/95/1066497395.db2.gz POLDMSIKOWXHRU-UHFFFAOYSA-N 1 0 458.393 4.830 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2CCC[N@@H+]2CCCO[C@H](C)C2)o1 ZINC001361178087 1066498243 /nfs/dbraw/zinc/49/82/43/1066498243.db2.gz ZRMWASOVOXTKTK-GOSISDBHSA-N 1 0 475.996 4.776 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361181333 1066502778 /nfs/dbraw/zinc/50/27/78/1066502778.db2.gz JTMJVAWEJKQGBU-GOSISDBHSA-N 1 0 482.032 4.780 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2CCC[NH+]2CCCCC2)cc1Br ZINC001361181504 1066503348 /nfs/dbraw/zinc/50/33/48/1066503348.db2.gz MCJLKGKLPUNCCS-UHFFFAOYSA-N 1 0 489.487 4.985 20 0 JJADRO O=C(CCc1ccc2c(c1)OC(F)(F)O2)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001456076832 1066504021 /nfs/dbraw/zinc/50/40/21/1066504021.db2.gz ROZJMQMEDGVVSV-UHFFFAOYSA-N 1 0 450.913 4.719 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC001361181812 1066504145 /nfs/dbraw/zinc/50/41/45/1066504145.db2.gz XILBPXCXAZJQLF-KRWDZBQOSA-N 1 0 460.026 4.524 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccco1)[NH+]1CCCC1 ZINC001545969203 1066504761 /nfs/dbraw/zinc/50/47/61/1066504761.db2.gz SYZWOXTXSZKLFP-QGZVFWFLSA-N 1 0 458.404 4.811 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC001361184252 1066507159 /nfs/dbraw/zinc/50/71/59/1066507159.db2.gz DDQRKKSMYNZQIG-FQEVSTJZSA-N 1 0 492.506 4.999 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC001361187120 1066510896 /nfs/dbraw/zinc/51/08/96/1066510896.db2.gz GEEARTXINSJZSA-SFTDATJTSA-N 1 0 457.663 4.858 20 0 JJADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCc1cc(Br)c(Br)s1 ZINC001444841603 1066511580 /nfs/dbraw/zinc/51/15/80/1066511580.db2.gz AQTZWBMGTHYWPS-GFCCVEGCSA-N 1 0 452.256 4.539 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCCCCO)n2CC[N@@H+]2CCCC(C)(C)C2)cc1Br ZINC001361187345 1066511973 /nfs/dbraw/zinc/51/19/73/1066511973.db2.gz NMLFSVGAKAWDCX-UHFFFAOYSA-N 1 0 492.506 4.737 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CC[C@H](C)[NH+]2CCCCC2)cc1Br ZINC001361190004 1066515171 /nfs/dbraw/zinc/51/51/71/1066515171.db2.gz AUDHJBQVIKWCNL-PZJWPPBQSA-N 1 0 490.490 4.896 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001361190578 1066515594 /nfs/dbraw/zinc/51/55/94/1066515594.db2.gz LVMIWOYBSRTSIF-SFHVURJKSA-N 1 0 478.479 4.752 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2CCC[N@H+]2CCCC[C@H]2C)o1 ZINC001361190779 1066516205 /nfs/dbraw/zinc/51/62/05/1066516205.db2.gz SDCABOWEHVIDKA-LJQANCHMSA-N 1 0 455.578 4.765 20 0 JJADRO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001444894901 1066517072 /nfs/dbraw/zinc/51/70/72/1066517072.db2.gz TZCPZOJBVYQHEV-RDPSFJRHSA-N 1 0 456.030 4.608 20 0 JJADRO Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC001444917932 1066518389 /nfs/dbraw/zinc/51/83/89/1066518389.db2.gz FOEAMDBPTLKFAP-UHFFFAOYSA-N 1 0 458.484 4.613 20 0 JJADRO Cc1ccc(-c2nnc(N(CC3CC3)CC3CCC3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001361191544 1066518760 /nfs/dbraw/zinc/51/87/60/1066518760.db2.gz XLPYPFGFTATVIH-QGZVFWFLSA-N 1 0 460.464 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001361194841 1066521391 /nfs/dbraw/zinc/52/13/91/1066521391.db2.gz XUSKSMHYAXUWRZ-GOSISDBHSA-N 1 0 490.490 4.894 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](c4ccccc4)O[C@@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361195565 1066522033 /nfs/dbraw/zinc/52/20/33/1066522033.db2.gz CWWXHKPZWMXUED-SSPYTLHUSA-N 1 0 451.615 4.789 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)[C@H]4CCCC[C@@H]43)n2CCOCC[NH+](C)C)cc1Br ZINC001361196187 1066523475 /nfs/dbraw/zinc/52/34/75/1066523475.db2.gz LIKAPJCXTWBFRR-DWLFOUALSA-N 1 0 490.490 4.609 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361198052 1066526334 /nfs/dbraw/zinc/52/63/34/1066526334.db2.gz HGFMCGCUJVZPQY-MRXNPFEDSA-N 1 0 481.563 4.705 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361198051 1066526388 /nfs/dbraw/zinc/52/63/88/1066526388.db2.gz HGFMCGCUJVZPQY-INIZCTEOSA-N 1 0 481.563 4.705 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCCOCC(C)C)cc1Br ZINC001361198181 1066526897 /nfs/dbraw/zinc/52/68/97/1066526897.db2.gz LAFRHOLXPXODGJ-FPOVZHCZSA-N 1 0 490.490 4.752 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001545971359 1066528826 /nfs/dbraw/zinc/52/88/26/1066528826.db2.gz WGNXSGVPPDDJQF-QZTJIDSGSA-N 1 0 484.998 4.546 20 0 JJADRO CCNC(=O)NCc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001445018543 1066529937 /nfs/dbraw/zinc/52/99/37/1066529937.db2.gz FOGAUXKZTJCALI-GGXMVOPNSA-N 1 0 470.617 4.534 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(Br)sc2Br)C1 ZINC001445025049 1066530495 /nfs/dbraw/zinc/53/04/95/1066530495.db2.gz GMZPDKWOJNDYQL-ZDUSSCGKSA-N 1 0 458.219 4.620 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361200458 1066530552 /nfs/dbraw/zinc/53/05/52/1066530552.db2.gz WZIXTIIKCLDRFW-HOYKHHGWSA-N 1 0 497.606 4.888 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(c4ccc(O)cc4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361201623 1066531456 /nfs/dbraw/zinc/53/14/56/1066531456.db2.gz GCIKEKCRNOBHFR-JOCHJYFZSA-N 1 0 451.615 4.912 20 0 JJADRO COC(=O)CCCOc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1 ZINC001456191937 1066533750 /nfs/dbraw/zinc/53/37/50/1066533750.db2.gz CPZCUBLLSCXNKF-DNQXCXABSA-N 1 0 478.614 4.934 20 0 JJADRO Cc1nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)ccc1I ZINC001361205147 1066535999 /nfs/dbraw/zinc/53/59/99/1066535999.db2.gz SROXABSAWWWLDU-RTBURBONSA-N 1 0 477.390 4.727 20 0 JJADRO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+](C)C)c12 ZINC001445080257 1066536976 /nfs/dbraw/zinc/53/69/76/1066536976.db2.gz AGLZXSBRWWKKIA-IBGZPJMESA-N 1 0 453.999 4.691 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCN(C)c2ccccc2)o1 ZINC001361205908 1066537929 /nfs/dbraw/zinc/53/79/29/1066537929.db2.gz XCGZVWGYZISCBV-UHFFFAOYSA-N 1 0 450.631 4.540 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC(F)(F)F)cc1Br ZINC001361206982 1066538719 /nfs/dbraw/zinc/53/87/19/1066538719.db2.gz DUAXZMUWJYERCZ-MRXNPFEDSA-N 1 0 472.353 4.643 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001456215323 1066539068 /nfs/dbraw/zinc/53/90/68/1066539068.db2.gz SGNXUEWULXGIDS-RBUKOAKNSA-N 1 0 457.537 4.556 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCCCC2)o1 ZINC001361207564 1066540559 /nfs/dbraw/zinc/54/05/59/1066540559.db2.gz VNPSAEJHXGNZSI-FQEVSTJZSA-N 1 0 486.661 4.557 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546080818 1066540773 /nfs/dbraw/zinc/54/07/73/1066540773.db2.gz BXMMXCRQFJSGGI-FIPFOOKPSA-N 1 0 496.700 4.521 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001361208559 1066541361 /nfs/dbraw/zinc/54/13/61/1066541361.db2.gz BHSUSDJMWILTEJ-BGYRXZFFSA-N 1 0 457.663 4.997 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1Br ZINC001361209286 1066542269 /nfs/dbraw/zinc/54/22/69/1066542269.db2.gz SFPDLTVHYYOKLZ-RXVVDRJESA-N 1 0 490.490 4.750 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001361211841 1066545935 /nfs/dbraw/zinc/54/59/35/1066545935.db2.gz BIVRRNMLKQTXGJ-NRFANRHFSA-N 1 0 488.677 4.660 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361211825 1066545947 /nfs/dbraw/zinc/54/59/47/1066545947.db2.gz BGVIPMYCRDFKHV-HOFKKMOUSA-N 1 0 471.690 4.982 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCC(C)(C)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1Br ZINC001361213256 1066547817 /nfs/dbraw/zinc/54/78/17/1066547817.db2.gz VTEVOGHYQUJWJB-FQEVSTJZSA-N 1 0 460.464 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2CC2([NH+](C)C)CCOCC2)cc1Br ZINC001361213483 1066548197 /nfs/dbraw/zinc/54/81/97/1066548197.db2.gz XXWWHPNTFBULMG-SFHVURJKSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCC3(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC001361214058 1066549783 /nfs/dbraw/zinc/54/97/83/1066549783.db2.gz HRZVGBVYXCKLDL-HXUWFJFHSA-N 1 0 490.490 4.752 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC001445286101 1066553424 /nfs/dbraw/zinc/55/34/24/1066553424.db2.gz NFSFGSNCYLUSBQ-HSZRJFAPSA-N 1 0 456.428 4.715 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC001456278697 1066553936 /nfs/dbraw/zinc/55/39/36/1066553936.db2.gz YHBIVNGTFPHONC-UHFFFAOYSA-N 1 0 450.510 4.909 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCOc2ccccc2Cl)o1 ZINC001361218256 1066554615 /nfs/dbraw/zinc/55/46/15/1066554615.db2.gz REQBKBBRQJTACM-UHFFFAOYSA-N 1 0 458.006 4.890 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCCCC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC001361218634 1066555125 /nfs/dbraw/zinc/55/51/25/1066555125.db2.gz PMKRHORRNQIQMF-NRFANRHFSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361218941 1066555877 /nfs/dbraw/zinc/55/58/77/1066555877.db2.gz XSFNURAWDKQYCM-HXUWFJFHSA-N 1 0 488.677 4.706 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@@H](C)C1 ZINC001456300293 1066557921 /nfs/dbraw/zinc/55/79/21/1066557921.db2.gz JTHGLMOOMOVXQC-WMLDXEAASA-N 1 0 456.439 4.984 20 0 JJADRO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220647 1066557836 /nfs/dbraw/zinc/55/78/36/1066557836.db2.gz XZLZBFAKUHIPMP-YFVAEKQCSA-N 1 0 452.467 4.981 20 0 JJADRO O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220645 1066557958 /nfs/dbraw/zinc/55/79/58/1066557958.db2.gz XZLZBFAKUHIPMP-HFSMHLIXSA-N 1 0 452.467 4.981 20 0 JJADRO C[NH+](C)CCCOC1CCN(C(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC001445334553 1066558391 /nfs/dbraw/zinc/55/83/91/1066558391.db2.gz BJVHETACXFULPK-LYBHJNIJSA-N 1 0 458.549 4.788 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001361221032 1066559618 /nfs/dbraw/zinc/55/96/18/1066559618.db2.gz LXBOISNZLBRLLT-UGKGYDQZSA-N 1 0 494.640 4.595 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2OCCC2(C)C)cc1Br ZINC001361223924 1066561965 /nfs/dbraw/zinc/56/19/65/1066561965.db2.gz DGRZWEQOPGNANF-NRFANRHFSA-N 1 0 490.490 4.609 20 0 JJADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC001445369569 1066563405 /nfs/dbraw/zinc/56/34/05/1066563405.db2.gz ULGPOTPOVOXSHE-LJQANCHMSA-N 1 0 451.489 4.554 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)n2CC(C)(C)C(C)C)o1 ZINC001361225865 1066564456 /nfs/dbraw/zinc/56/44/56/1066564456.db2.gz OWMPUDWYQWGIEY-SFTDATJTSA-N 1 0 456.679 4.524 20 0 JJADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546081606 1066565995 /nfs/dbraw/zinc/56/59/95/1066565995.db2.gz SODLGIORDNGUSA-HFZDXXHNSA-N 1 0 496.681 4.517 20 0 JJADRO CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)Oc1ccccc1F ZINC001545975081 1066569956 /nfs/dbraw/zinc/56/99/56/1066569956.db2.gz KNADAVHMDWHHEV-OAQYLSRUSA-N 1 0 468.621 4.827 20 0 JJADRO Cc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1Br ZINC001361230737 1066569997 /nfs/dbraw/zinc/56/99/97/1066569997.db2.gz BABAIJOEMBVSCR-PKOBYXMFSA-N 1 0 480.520 4.934 20 0 JJADRO Cc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CC[N@H+]2CC=CCC2)cc1Br ZINC001361231786 1066572403 /nfs/dbraw/zinc/57/24/03/1066572403.db2.gz USZRPTMTAFCISZ-OAQYLSRUSA-N 1 0 490.515 4.856 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)[NH+](C)C)o1 ZINC001361234023 1066574916 /nfs/dbraw/zinc/57/49/16/1066574916.db2.gz LCGQPDZHUSRHDM-BEFAXECRSA-N 1 0 458.404 4.901 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(COc3ccccc3F)n2CCC[N@@H+](C)C(C)C)o1 ZINC001361236009 1066576195 /nfs/dbraw/zinc/57/61/95/1066576195.db2.gz CFUIXHWEIFJUOC-NRFANRHFSA-N 1 0 455.578 4.969 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(Cl)cc3F)n2CCOCC[NH+](C)C)o1 ZINC001361236277 1066576770 /nfs/dbraw/zinc/57/67/70/1066576770.db2.gz ICZGSFHEQNPKPC-FQEVSTJZSA-N 1 0 461.969 4.559 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc(COc3ccccc3F)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361238010 1066578535 /nfs/dbraw/zinc/57/85/35/1066578535.db2.gz SDAAMYDKUFFFCS-HXUWFJFHSA-N 1 0 455.578 4.827 20 0 JJADRO COc1cccc(C2(C(=O)NCCCOC3CC[NH+](Cc4ccccc4)CC3)CCCC2)c1 ZINC001445513653 1066579154 /nfs/dbraw/zinc/57/91/54/1066579154.db2.gz MVXOCMFGEUSUJA-UHFFFAOYSA-N 1 0 450.623 4.695 20 0 JJADRO CN(c1ccccc1)c1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001445518807 1066580503 /nfs/dbraw/zinc/58/05/03/1066580503.db2.gz YOQJXUONZRSYTB-UHFFFAOYSA-N 1 0 458.606 4.651 20 0 JJADRO COCCc1ccc(OCCCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001445523109 1066580983 /nfs/dbraw/zinc/58/09/83/1066580983.db2.gz JHPWFTOLDCWVOI-BDYUSTAISA-N 1 0 450.623 4.548 20 0 JJADRO CC(C)COc1ccc(C(C)(C)C(=O)N2CCC[N@H+](Cc3ccccc3)CCOCC2)cc1 ZINC001456437362 1066585779 /nfs/dbraw/zinc/58/57/79/1066585779.db2.gz MWYKEONNXXVQHX-UHFFFAOYSA-N 1 0 452.639 4.750 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC001456448506 1066589557 /nfs/dbraw/zinc/58/95/57/1066589557.db2.gz XCLJPMUPTZIUGK-INIZCTEOSA-N 1 0 458.400 4.588 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546082753 1066594777 /nfs/dbraw/zinc/59/47/77/1066594777.db2.gz CCNXITCNYVLTGJ-IOZGHAEBSA-N 1 0 487.645 4.927 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cccc(Cl)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC001361250135 1066596111 /nfs/dbraw/zinc/59/61/11/1066596111.db2.gz RXHGTCPWKFJTAL-UHFFFAOYSA-N 1 0 473.090 4.631 20 0 JJADRO COc1ccc2cc(/C=C\C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@H+](C)C4)cc3)ccc2c1 ZINC001456489904 1066597200 /nfs/dbraw/zinc/59/72/00/1066597200.db2.gz NEBSKPBUCCTUDP-MIJQOLBWSA-N 1 0 457.574 4.667 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC001361250875 1066597707 /nfs/dbraw/zinc/59/77/07/1066597707.db2.gz CGVFIMHRINKAEV-QGZVFWFLSA-N 1 0 475.062 4.501 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C/C=C\c1ccc(Br)cc1 ZINC001361251140 1066598286 /nfs/dbraw/zinc/59/82/86/1066598286.db2.gz YBXGOUIGINPYQP-PLNGDYQASA-N 1 0 458.400 4.642 20 0 JJADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)c2C1 ZINC001361253782 1066601879 /nfs/dbraw/zinc/60/18/79/1066601879.db2.gz HTRYYRGQPNUTMD-GOSISDBHSA-N 1 0 456.384 4.875 20 0 JJADRO COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@H+](C)C4)cc3)ccc2c1 ZINC001456501814 1066603023 /nfs/dbraw/zinc/60/30/23/1066603023.db2.gz YECSYEADNOJQBE-UQBPGWFLSA-N 1 0 459.590 4.757 20 0 JJADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cc(Cl)sc2Cl)CC1 ZINC001456509346 1066606298 /nfs/dbraw/zinc/60/62/98/1066606298.db2.gz UMPPXAZVDIPGST-UHFFFAOYSA-N 1 0 452.329 4.756 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361257670 1066606319 /nfs/dbraw/zinc/60/63/19/1066606319.db2.gz GDYBDFRUVBWALQ-FGZHOGPDSA-N 1 0 465.642 4.603 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546082973 1066609049 /nfs/dbraw/zinc/60/90/49/1066609049.db2.gz HBSZMHBSJYZBIB-BCQCSXDESA-N 1 0 487.664 4.931 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)o1 ZINC001361261001 1066610979 /nfs/dbraw/zinc/61/09/79/1066610979.db2.gz DHOYSKJJNBPTTC-UHFFFAOYSA-N 1 0 455.578 4.656 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361261343 1066612828 /nfs/dbraw/zinc/61/28/28/1066612828.db2.gz PQBMDRYYZXMRCS-ZRZAMGCNSA-N 1 0 495.668 4.900 20 0 JJADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001445790294 1066617998 /nfs/dbraw/zinc/61/79/98/1066617998.db2.gz RWMMBGFNZFLDIQ-FMEYXAORSA-N 1 0 456.414 4.500 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2ccnc(Cl)c2Cl)cc1Cl ZINC001445799054 1066619852 /nfs/dbraw/zinc/61/98/52/1066619852.db2.gz QAVXUIXXCNGCCG-UHFFFAOYSA-N 1 0 457.789 4.756 20 0 JJADRO Cc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)C)CC2)s1 ZINC001361268258 1066621328 /nfs/dbraw/zinc/62/13/28/1066621328.db2.gz RMIZDOHXWOYYQZ-OAQYLSRUSA-N 1 0 453.656 4.984 20 0 JJADRO Cn1ccnc1[C@@H](CC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(F)(F)F ZINC001456554593 1066624274 /nfs/dbraw/zinc/62/42/74/1066624274.db2.gz UPNMPENYPBDWTA-OTNCWRBYSA-N 1 0 470.539 4.631 20 0 JJADRO CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001546083354 1066627867 /nfs/dbraw/zinc/62/78/67/1066627867.db2.gz MJRVHVSKAGJMTC-LVXARBLLSA-N 1 0 473.637 4.685 20 0 JJADRO Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c(F)c1 ZINC001361278507 1066635975 /nfs/dbraw/zinc/63/59/75/1066635975.db2.gz ZKXBNCLGZCDJRI-UHFFFAOYSA-N 1 0 450.606 4.703 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC001361279279 1066636709 /nfs/dbraw/zinc/63/67/09/1066636709.db2.gz RWRIMILKZDRZRK-UHFFFAOYSA-N 1 0 456.565 4.715 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC001446001623 1066644091 /nfs/dbraw/zinc/64/40/91/1066644091.db2.gz PZYAAHAWIXISJJ-UHFFFAOYSA-N 1 0 458.444 4.685 20 0 JJADRO CC(C)[N@@H+]1CC[C@H](C(=O)O[C@@H]2CCOc3cc(Cl)cc(Cl)c32)[C@H](c2cnn(C)c2)C1 ZINC001361288024 1066646387 /nfs/dbraw/zinc/64/63/87/1066646387.db2.gz GFBGXGGEVNALJX-JENIJYKNSA-N 1 0 452.382 4.608 20 0 JJADRO Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492598527 1066647811 /nfs/dbraw/zinc/64/78/11/1066647811.db2.gz NSVPQUWSTASDGZ-VXNXHJTFSA-N 1 0 483.701 4.578 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001492599070 1066649775 /nfs/dbraw/zinc/64/97/75/1066649775.db2.gz UMCAAHDSMJCXEH-RUZDIDTESA-N 1 0 476.669 4.598 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492600143 1066652524 /nfs/dbraw/zinc/65/25/24/1066652524.db2.gz ISVKIQGCQBZMJU-ZBLYBZFDSA-N 1 0 462.642 4.674 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@H]2CCCCO2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492602553 1066658990 /nfs/dbraw/zinc/65/89/90/1066658990.db2.gz UVHCERJSPMOPEZ-OTNCWRBYSA-N 1 0 469.674 4.711 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1(C)C ZINC001456652495 1066659266 /nfs/dbraw/zinc/65/92/66/1066659266.db2.gz ZNCMENCIUPXTIV-LIONHTAISA-N 1 0 477.649 4.710 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC001456676806 1066665015 /nfs/dbraw/zinc/66/50/15/1066665015.db2.gz ZMRFVDKPAVAQKH-UHFFFAOYSA-N 1 0 450.764 4.880 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001492607908 1066667708 /nfs/dbraw/zinc/66/77/08/1066667708.db2.gz JSEKPTOUYCQKIT-HSZRJFAPSA-N 1 0 476.669 4.748 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001456710845 1066672224 /nfs/dbraw/zinc/67/22/24/1066672224.db2.gz HSCLVAIOMVQOGM-ZRGWGRIASA-N 1 0 458.430 4.843 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001456710841 1066672323 /nfs/dbraw/zinc/67/23/23/1066672323.db2.gz HSCLVAIOMVQOGM-VCBZYWHSSA-N 1 0 458.430 4.843 20 0 JJADRO C[N@@H+]1CC[C@@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@@H]1c1ccc(F)cc1 ZINC001446191974 1066673396 /nfs/dbraw/zinc/67/33/96/1066673396.db2.gz LJUVNYMYYDBLQW-IERDGZPVSA-N 1 0 451.489 4.948 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC=C(C)C2)n1CC1([NH+](C)C)CCC1 ZINC001492613169 1066675593 /nfs/dbraw/zinc/67/55/93/1066675593.db2.gz JOWUWKVGCWWNHF-UHFFFAOYSA-N 1 0 458.050 4.892 20 0 JJADRO CC[C@H](Cn1c(C2CC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982714 1066675724 /nfs/dbraw/zinc/67/57/24/1066675724.db2.gz QEBWKFFRIGCEOC-NZQKXSOJSA-N 1 0 482.673 4.560 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001456734487 1066677502 /nfs/dbraw/zinc/67/75/02/1066677502.db2.gz IXRJVKSVVDMQSV-GOSISDBHSA-N 1 0 458.484 4.740 20 0 JJADRO Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1Cl ZINC001446244034 1066678688 /nfs/dbraw/zinc/67/86/88/1066678688.db2.gz DZSRPIJHSMHVRJ-UHFFFAOYSA-N 1 0 456.015 4.598 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=C(C)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001492615074 1066679747 /nfs/dbraw/zinc/67/97/47/1066679747.db2.gz YRTASTLCPXPPEF-GMAHTHKFSA-N 1 0 488.076 4.692 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC001446259325 1066680330 /nfs/dbraw/zinc/68/03/30/1066680330.db2.gz NQSIOBQCUVCEAC-MITOLCNKSA-N 1 0 455.643 4.607 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)C[N@@H+]1Cc1ccccc1 ZINC001446263591 1066681295 /nfs/dbraw/zinc/68/12/95/1066681295.db2.gz UVBHLQBEJSZHSR-HKUYNNGSSA-N 1 0 454.412 4.890 20 0 JJADRO CC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001492615398 1066681241 /nfs/dbraw/zinc/68/12/41/1066681241.db2.gz LGKKWZBSBZZOOT-QGZVFWFLSA-N 1 0 461.452 4.703 20 0 JJADRO CC1=CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001492615569 1066681702 /nfs/dbraw/zinc/68/17/02/1066681702.db2.gz REUKPBKSKGTJMS-KDURUIRLSA-N 1 0 475.479 4.571 20 0 JJADRO CC1=CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001492615571 1066681730 /nfs/dbraw/zinc/68/17/30/1066681730.db2.gz REUKPBKSKGTJMS-RTBURBONSA-N 1 0 475.479 4.571 20 0 JJADRO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC001456769972 1066684520 /nfs/dbraw/zinc/68/45/20/1066684520.db2.gz IRYGEFCEVLTZJL-CPJSRVTESA-N 1 0 453.608 4.674 20 0 JJADRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1OCc1cscn1 ZINC001456771733 1066686257 /nfs/dbraw/zinc/68/62/57/1066686257.db2.gz OHCQZPKORCJOAR-VGOFRKELSA-N 1 0 457.621 4.605 20 0 JJADRO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001446293204 1066686830 /nfs/dbraw/zinc/68/68/30/1066686830.db2.gz ZQVMDFZPHVFTAA-SXTVDBKBSA-N 1 0 450.579 4.567 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)[C@H]1c1cccs1 ZINC001456775053 1066687888 /nfs/dbraw/zinc/68/78/88/1066687888.db2.gz YJVLFRTWHYVGQB-KUHUBIRLSA-N 1 0 451.405 4.881 20 0 JJADRO CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001492619858 1066688184 /nfs/dbraw/zinc/68/81/84/1066688184.db2.gz MBHSTFYGGAGAFY-OAQYLSRUSA-N 1 0 488.474 4.896 20 0 JJADRO CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001545984392 1066688931 /nfs/dbraw/zinc/68/89/31/1066688931.db2.gz JKDGINCLXLPSHH-FCHUYYIVSA-N 1 0 474.694 4.646 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(Cl)c(Br)c1 ZINC001446320065 1066689616 /nfs/dbraw/zinc/68/96/16/1066689616.db2.gz ARNPTSXESZPPRE-QGZVFWFLSA-N 1 0 451.792 4.935 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(Br)c(F)cc1F ZINC001446324327 1066690513 /nfs/dbraw/zinc/69/05/13/1066690513.db2.gz PUKSHVFBKSYALK-HNNXBMFYSA-N 1 0 453.327 4.560 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC001492620681 1066691447 /nfs/dbraw/zinc/69/14/47/1066691447.db2.gz JQIVXMGXUSKHBA-XZOQPEGZSA-N 1 0 455.695 4.868 20 0 JJADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001446355728 1066695653 /nfs/dbraw/zinc/69/56/53/1066695653.db2.gz NSKHIWTWYXIZQC-GOSISDBHSA-N 1 0 450.410 4.617 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(CC)C1)[NH+]1CCCC1 ZINC001545986320 1066707500 /nfs/dbraw/zinc/70/75/00/1066707500.db2.gz CVJYISPATZAVDT-VHFRWLAGSA-N 1 0 488.721 4.893 20 0 JJADRO CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C(C)C)[NH+]1CCCC1 ZINC001545986344 1066707577 /nfs/dbraw/zinc/70/75/77/1066707577.db2.gz DNDIAZHTYSCTTE-LEWJYISDSA-N 1 0 462.683 4.502 20 0 JJADRO Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(=O)[nH]1 ZINC001446514103 1066712928 /nfs/dbraw/zinc/71/29/28/1066712928.db2.gz HRACXMMZSTWXAP-FQEVSTJZSA-N 1 0 450.627 4.816 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@@H](C)[NH+](C)C)CC2)s1 ZINC001492633637 1066714955 /nfs/dbraw/zinc/71/49/55/1066714955.db2.gz JIYGVZLDDPXPOA-LJQANCHMSA-N 1 0 468.671 4.573 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001546085485 1066715854 /nfs/dbraw/zinc/71/58/54/1066715854.db2.gz LYQDEVPMUPNTQI-JOCHJYFZSA-N 1 0 482.442 4.582 20 0 JJADRO C[C@@H](C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001456892524 1066715879 /nfs/dbraw/zinc/71/58/79/1066715879.db2.gz YLSYVEAGVQKBCJ-URXFXBBRSA-N 1 0 457.659 4.626 20 0 JJADRO Cc1csc([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001492637290 1066723103 /nfs/dbraw/zinc/72/31/03/1066723103.db2.gz OHQUJZARQSSKRM-MRXNPFEDSA-N 1 0 476.597 4.646 20 0 JJADRO Cc1ccc([C@@H](Cn2ccnc2)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585732 1066723907 /nfs/dbraw/zinc/72/39/07/1066723907.db2.gz RABJHFIPOAHHLX-DNQXCXABSA-N 1 0 452.549 4.515 20 0 JJADRO Cc1cccc2c1C[C@H](C(=O)NC1CCC([NH+]3CCC(C)CC3)CC1)N2C(=O)OC(C)(C)C ZINC001446616773 1066726253 /nfs/dbraw/zinc/72/62/53/1066726253.db2.gz PXDUMFQUYDQJBV-SLXFGWRHSA-N 1 0 455.643 4.821 20 0 JJADRO Cc1csc([C@H]2CN(c3nnc(-c4ccccc4C)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)n1 ZINC001492640986 1066733276 /nfs/dbraw/zinc/73/32/76/1066733276.db2.gz IGOQIFLCJHZMJC-IFMALSPDSA-N 1 0 468.671 4.573 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(C)(C)C ZINC001446716663 1066734082 /nfs/dbraw/zinc/73/40/82/1066734082.db2.gz RUXZKSNPIIGFBM-MYDTUXCISA-N 1 0 457.659 4.733 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)C2)n1 ZINC001492641603 1066734954 /nfs/dbraw/zinc/73/49/54/1066734954.db2.gz HOGVRQFIJKDWMR-NJDAHSKKSA-N 1 0 488.746 4.903 20 0 JJADRO O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981186 1066735003 /nfs/dbraw/zinc/73/50/03/1066735003.db2.gz DNGYSRKTCMUXSO-IPMKNSEASA-N 1 0 452.467 4.981 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2cc(OC)c(OC)cc2Br)CC1)CC(C)C ZINC001446745590 1066735283 /nfs/dbraw/zinc/73/52/83/1066735283.db2.gz XGBZAEUWTQTWPU-UHFFFAOYSA-N 1 0 455.437 4.687 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001546085931 1066735411 /nfs/dbraw/zinc/73/54/11/1066735411.db2.gz VLIGMGFWXPOJKS-QFQXNSOFSA-N 1 0 455.647 4.614 20 0 JJADRO CC(C)(Oc1ccc(F)cc1)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456988727 1066736553 /nfs/dbraw/zinc/73/65/53/1066736553.db2.gz VDRUXGFTZFTLFK-LJQANCHMSA-N 1 0 452.492 4.896 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001546086005 1066738064 /nfs/dbraw/zinc/73/80/64/1066738064.db2.gz XBYTVOYGUNWLMQ-VGOFRKELSA-N 1 0 496.519 4.895 20 0 JJADRO Cc1csc(CCCCn2c(Cc3ccsc3)nnc2N2CCC([NH2+]C(C)C)CC2)n1 ZINC001492643471 1066739774 /nfs/dbraw/zinc/73/97/74/1066739774.db2.gz JXUHEGBRUPDMRR-UHFFFAOYSA-N 1 0 458.701 4.685 20 0 JJADRO Cc1csc(CCCCn2c(CCc3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001492643512 1066739803 /nfs/dbraw/zinc/73/98/03/1066739803.db2.gz KXWIPSDYNAISSN-UHFFFAOYSA-N 1 0 466.699 4.772 20 0 JJADRO CCC[C@@H]1CN(C(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001446813967 1066743978 /nfs/dbraw/zinc/74/39/78/1066743978.db2.gz JQCMYLVUXBIQKH-QREDHFMISA-N 1 0 455.643 4.703 20 0 JJADRO Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001492645495 1066745919 /nfs/dbraw/zinc/74/59/19/1066745919.db2.gz XXOKGBTVJWQHDM-IBGZPJMESA-N 1 0 466.655 4.636 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2csc(Br)n2)cc1)C[C@@H]1CCCCO1 ZINC001446837853 1066746888 /nfs/dbraw/zinc/74/68/88/1066746888.db2.gz PXMFDSZIJNVANW-KRWDZBQOSA-N 1 0 452.418 4.937 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCC2)c1 ZINC001492645775 1066747481 /nfs/dbraw/zinc/74/74/81/1066747481.db2.gz IRYMFUXMHYKXNO-UHFFFAOYSA-N 1 0 460.445 4.810 20 0 JJADRO C[C@H](Cc1cnc2ccccc2n1)C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001457038526 1066750077 /nfs/dbraw/zinc/75/00/77/1066750077.db2.gz NCCFDZTXBUBILC-HSZRJFAPSA-N 1 0 452.602 4.969 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001492647043 1066750973 /nfs/dbraw/zinc/75/09/73/1066750973.db2.gz DLHBAEOJAPBQTN-WOJBJXKFSA-N 1 0 452.672 4.638 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492647708 1066752478 /nfs/dbraw/zinc/75/24/78/1066752478.db2.gz UQDSUIITDAQTRH-KDURUIRLSA-N 1 0 473.712 4.825 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001457087709 1066758609 /nfs/dbraw/zinc/75/86/09/1066758609.db2.gz DVRCNPZVARDBBX-JPYJTQIMSA-N 1 0 454.039 4.957 20 0 JJADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC001545991620 1066765623 /nfs/dbraw/zinc/76/56/23/1066765623.db2.gz VHLUOUAXDQBRRM-ZDUSSCGKSA-N 1 0 456.306 4.818 20 0 JJADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC001545991729 1066766729 /nfs/dbraw/zinc/76/67/29/1066766729.db2.gz YHRSENYOMYIWTR-GOSISDBHSA-N 1 0 456.428 4.998 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001546087018 1066769600 /nfs/dbraw/zinc/76/96/00/1066769600.db2.gz DHMDYVICJUJMAC-IZZNHLLZSA-N 1 0 471.715 4.685 20 0 JJADRO Cc1nc(C)c(CCn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001492656889 1066769963 /nfs/dbraw/zinc/76/99/63/1066769963.db2.gz OVNDCSLJGNCPMY-QFIPXVFZSA-N 1 0 452.672 4.503 20 0 JJADRO Cc1nc(C)c(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)s1 ZINC001492658550 1066773057 /nfs/dbraw/zinc/77/30/57/1066773057.db2.gz GGGMSTYZZXCVBP-UHFFFAOYSA-N 1 0 489.487 4.796 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447103034 1066773242 /nfs/dbraw/zinc/77/32/42/1066773242.db2.gz LJQZJJUCOGLUBJ-IKVWTGGYSA-N 1 0 468.013 4.672 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCCCC2)CCO1 ZINC001546087596 1066774063 /nfs/dbraw/zinc/77/40/63/1066774063.db2.gz PASRVDBJXQXMPV-DEOSSOPVSA-N 1 0 476.065 4.877 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNC(=O)c1cnn(-c2ccc(F)cc2)c1)C1CCCC1 ZINC001457163689 1066777489 /nfs/dbraw/zinc/77/74/89/1066777489.db2.gz MWRBMCUYAQLAIM-UHFFFAOYSA-N 1 0 450.558 4.585 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001492661652 1066780789 /nfs/dbraw/zinc/78/07/89/1066780789.db2.gz KQQAFSNDTUPFDX-JKSUJKDBSA-N 1 0 460.598 4.594 20 0 JJADRO CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457187043 1066782391 /nfs/dbraw/zinc/78/23/91/1066782391.db2.gz MSAWQJCTFXXAMS-QHCPKHFHSA-N 1 0 455.643 4.537 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2C[C@H](C)C[NH+]2CCCC2)cs1 ZINC001492662460 1066782321 /nfs/dbraw/zinc/78/23/21/1066782321.db2.gz UBYHGNJWXITKLI-SJORKVTESA-N 1 0 474.625 4.841 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC001447204189 1066782329 /nfs/dbraw/zinc/78/23/29/1066782329.db2.gz UYNAOKIIGZWHKX-XGICHPGQSA-N 1 0 456.011 4.776 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccccc2C[N@@H+](C)C(C)C)cs1 ZINC001492664982 1066785464 /nfs/dbraw/zinc/78/54/64/1066785464.db2.gz SMZKDLHHSBHREM-UHFFFAOYSA-N 1 0 466.577 4.521 20 0 JJADRO C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001447304918 1066789987 /nfs/dbraw/zinc/78/99/87/1066789987.db2.gz GSUACKMUXNPNPG-ZSQFBXSQSA-N 1 0 450.671 4.701 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2C[C@@H](C)C[NH+]2CCCCC2)cs1 ZINC001492666245 1066790522 /nfs/dbraw/zinc/79/05/22/1066790522.db2.gz MMJWHVWYLXNFOX-INIZCTEOSA-N 1 0 492.615 4.810 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC[C@H](C)[NH+]2CCCCC2)cs1 ZINC001492666327 1066791045 /nfs/dbraw/zinc/79/10/45/1066791045.db2.gz PSTXBVJOBOFMGI-INIZCTEOSA-N 1 0 492.615 4.952 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCC[NH+]2CCC(C)CC2)cs1 ZINC001492666353 1066791109 /nfs/dbraw/zinc/79/11/09/1066791109.db2.gz QQPUHTOXWWLZIU-UHFFFAOYSA-N 1 0 456.635 4.531 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2CC[NH+](C(C)C)C(C)C)cs1 ZINC001492666428 1066791350 /nfs/dbraw/zinc/79/13/50/1066791350.db2.gz SXRXMMVYOFYBBV-UHFFFAOYSA-N 1 0 462.614 4.667 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001457237563 1066796414 /nfs/dbraw/zinc/79/64/14/1066796414.db2.gz JDKAPOBMRYAYCB-SVTDKJBASA-N 1 0 453.671 4.801 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)COc2ccc(Br)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001457237282 1066796481 /nfs/dbraw/zinc/79/64/81/1066796481.db2.gz HLPNYDDOIIHUBF-YJBOKZPZSA-N 1 0 451.792 4.651 20 0 JJADRO Cc1nc(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)cs1 ZINC001492669552 1066798185 /nfs/dbraw/zinc/79/81/85/1066798185.db2.gz AXDVQFMWDJFWMF-IBGZPJMESA-N 1 0 456.660 4.762 20 0 JJADRO CS[C@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)C[C@@H]1[NH+]1CCCC1 ZINC001447362537 1066798715 /nfs/dbraw/zinc/79/87/15/1066798715.db2.gz MFJHXSWMWWDOQH-LPHOPBHVSA-N 1 0 451.455 4.829 20 0 JJADRO Cc1nc(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cs1 ZINC001492670695 1066799948 /nfs/dbraw/zinc/79/99/48/1066799948.db2.gz ZFAKQBBXLLZWML-KRWDZBQOSA-N 1 0 484.636 4.923 20 0 JJADRO Cc1nc(Cc2nnc(N(Cc3ccccc3F)C3CC3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492670309 1066800065 /nfs/dbraw/zinc/80/00/65/1066800065.db2.gz RZUFCNSDWZIPEW-UHFFFAOYSA-N 1 0 456.635 4.530 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001492671344 1066801912 /nfs/dbraw/zinc/80/19/12/1066801912.db2.gz VBZWPUKASZPYIJ-JKSBSHDWSA-N 1 0 456.635 4.558 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC001492671562 1066802781 /nfs/dbraw/zinc/80/27/81/1066802781.db2.gz ZBECSSPIPGRXLW-YVHKJVDXSA-N 1 0 456.635 4.701 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](c4ccccc4)C[C@@H]3C)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492671736 1066803259 /nfs/dbraw/zinc/80/32/59/1066803259.db2.gz DCZYKFKFMISZSN-GHTZIAJQSA-N 1 0 452.672 4.604 20 0 JJADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001457288112 1066804503 /nfs/dbraw/zinc/80/45/03/1066804503.db2.gz LVDLAWKKLWCDFQ-UHFFFAOYSA-N 1 0 457.412 4.866 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001492673800 1066808034 /nfs/dbraw/zinc/80/80/34/1066808034.db2.gz BUXSVYWRJBTYMR-LJQANCHMSA-N 1 0 484.636 4.923 20 0 JJADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545995678 1066808161 /nfs/dbraw/zinc/80/81/61/1066808161.db2.gz WSSIQOZMFVKECN-TUNNFDKTSA-N 1 0 488.721 4.623 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+]1CCCC1 ZINC001545995715 1066808734 /nfs/dbraw/zinc/80/87/34/1066808734.db2.gz XGIKDUYFBVJMRC-OAHLLOKOSA-N 1 0 455.491 4.672 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCC(C)(C)[NH2+]C(C)(C)C3)[C@@H]2c2cccs2)cc1 ZINC001457316662 1066808639 /nfs/dbraw/zinc/80/86/39/1066808639.db2.gz ZIZYAMYGTKQQON-NFBKMPQASA-N 1 0 453.652 4.920 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(c4ccccc4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001492674520 1066809122 /nfs/dbraw/zinc/80/91/22/1066809122.db2.gz SWRQOMCEQOOGNI-XMMPIXPASA-N 1 0 466.699 4.994 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001492676039 1066811993 /nfs/dbraw/zinc/81/19/93/1066811993.db2.gz SFHSFIBFDSHAEU-JOCHJYFZSA-N 1 0 488.746 4.786 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001492677160 1066815618 /nfs/dbraw/zinc/81/56/18/1066815618.db2.gz XLWVBGIUQYOYSL-FUHWJXTLSA-N 1 0 466.646 4.626 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1)[NH+]1CCCC1 ZINC001545996952 1066817322 /nfs/dbraw/zinc/81/73/22/1066817322.db2.gz HJSFGOSSJVIQQD-IRLDBZIGSA-N 1 0 477.600 4.530 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](C)Oc2ccccc2F)cs1 ZINC001492678578 1066818802 /nfs/dbraw/zinc/81/88/02/1066818802.db2.gz ZOCAVJSZWAQFSB-GOSISDBHSA-N 1 0 486.661 4.551 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC001447554945 1066820917 /nfs/dbraw/zinc/82/09/17/1066820917.db2.gz HXNXRAPAMVWZJB-BOCKYXSRSA-N 1 0 479.612 4.890 20 0 JJADRO C[N@H+](CCNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)Cc1ccc(F)cc1 ZINC001457393013 1066821301 /nfs/dbraw/zinc/82/13/01/1066821301.db2.gz FBCDMMXYVVREMA-UHFFFAOYSA-N 1 0 454.977 4.796 20 0 JJADRO CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)OC ZINC001545997242 1066821419 /nfs/dbraw/zinc/82/14/19/1066821419.db2.gz LSDZOZBUMBVXBV-SQJMNOBHSA-N 1 0 471.665 4.914 20 0 JJADRO Cc1cc(CSc2ccccc2C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)on1 ZINC001447568937 1066823115 /nfs/dbraw/zinc/82/31/15/1066823115.db2.gz QFJUHLLZDFZGSP-UHFFFAOYSA-N 1 0 451.592 4.657 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCc2ccc(F)cc2C)cs1 ZINC001492681489 1066824851 /nfs/dbraw/zinc/82/48/51/1066824851.db2.gz YNXMWGWLLBOCJV-UHFFFAOYSA-N 1 0 484.689 4.882 20 0 JJADRO C[C@H](CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001457421994 1066828004 /nfs/dbraw/zinc/82/80/04/1066828004.db2.gz MKGKLPBJDDJLGW-BUZMGHMJSA-N 1 0 457.659 4.972 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)[NH+]1CCCC1 ZINC001545997469 1066829295 /nfs/dbraw/zinc/82/92/95/1066829295.db2.gz PGBJPDUHWSMEHJ-MSOLQXFVSA-N 1 0 452.068 4.644 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCCc3cc[nH+]c(N)c3)cc12 ZINC001457431430 1066831338 /nfs/dbraw/zinc/83/13/38/1066831338.db2.gz ZCFCXFXHJZCBFE-UHFFFAOYSA-N 1 0 453.999 4.838 20 0 JJADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001457462427 1066835908 /nfs/dbraw/zinc/83/59/08/1066835908.db2.gz GRPMLLLOSXMIJI-PKTZIBPZSA-N 1 0 456.428 4.539 20 0 JJADRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)CC1 ZINC001447662904 1066839267 /nfs/dbraw/zinc/83/92/67/1066839267.db2.gz KISUTXFWKMVERH-UHFFFAOYSA-N 1 0 455.046 4.647 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC001492695344 1066841740 /nfs/dbraw/zinc/84/17/40/1066841740.db2.gz XSVVGVWXHDCLIA-DBXWQHBBSA-N 1 0 474.719 4.861 20 0 JJADRO CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+]1CCCC1 ZINC001545999358 1066842048 /nfs/dbraw/zinc/84/20/48/1066842048.db2.gz LRZROHKDWGBIRF-FQEVSTJZSA-N 1 0 456.997 4.567 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3cccn3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)s1 ZINC001492695425 1066842106 /nfs/dbraw/zinc/84/21/06/1066842106.db2.gz BBDAMLZNWVKYKE-GOSISDBHSA-N 1 0 463.655 4.814 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@@H]2C)s1 ZINC001492695686 1066843508 /nfs/dbraw/zinc/84/35/08/1066843508.db2.gz KZNCIGVTXRZMKU-HNNXBMFYSA-N 1 0 475.460 4.593 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCC[N@@H+](C)C(C)C)s1 ZINC001492695998 1066844617 /nfs/dbraw/zinc/84/46/17/1066844617.db2.gz SWZNPNSGVSDQEZ-UHFFFAOYSA-N 1 0 477.476 4.839 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2CC2([NH+](C)C)CCCCC2)s1 ZINC001492697599 1066849468 /nfs/dbraw/zinc/84/94/68/1066849468.db2.gz AFUYAEPZTUVCJD-UHFFFAOYSA-N 1 0 452.672 4.843 20 0 JJADRO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC001457519063 1066850330 /nfs/dbraw/zinc/85/03/30/1066850330.db2.gz LRVFKUMLRZBOTL-LJQANCHMSA-N 1 0 452.986 4.850 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001492698417 1066851759 /nfs/dbraw/zinc/85/17/59/1066851759.db2.gz WSZHFHBMASKIHU-JOCHJYFZSA-N 1 0 466.699 4.947 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001546091630 1066852415 /nfs/dbraw/zinc/85/24/15/1066852415.db2.gz UBCDYSOADZILLQ-HHHXNRCGSA-N 1 0 479.673 4.645 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3Cl)c3ccccc3)nc2)CC1 ZINC001457544588 1066857204 /nfs/dbraw/zinc/85/72/04/1066857204.db2.gz XRWGAXCBRAYNJU-QHCPKHFHSA-N 1 0 453.011 4.959 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)[NH+]1CCCCC1 ZINC001457549214 1066858661 /nfs/dbraw/zinc/85/86/61/1066858661.db2.gz BRZIRCVBOHBPSB-OAQYLSRUSA-N 1 0 456.384 4.896 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC001447797937 1066860273 /nfs/dbraw/zinc/86/02/73/1066860273.db2.gz JLARANCRCCNJHB-LNLFQRSKSA-N 1 0 454.455 4.688 20 0 JJADRO CC[NH+](CC)Cc1ccc(NC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 ZINC001447805391 1066862651 /nfs/dbraw/zinc/86/26/51/1066862651.db2.gz XRTTUWOCUYHPGF-UHFFFAOYSA-N 1 0 456.637 4.599 20 0 JJADRO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001447805914 1066862938 /nfs/dbraw/zinc/86/29/38/1066862938.db2.gz SNCQXSAJBPGNML-AWEZNQCLSA-N 1 0 454.398 4.689 20 0 JJADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001457565242 1066863634 /nfs/dbraw/zinc/86/36/34/1066863634.db2.gz PDUDIDFGDKLSSW-UHFFFAOYSA-N 1 0 458.549 4.556 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[NH+](C)C ZINC001447824412 1066866350 /nfs/dbraw/zinc/86/63/50/1066866350.db2.gz VMCHCASGNTZJAF-JTSKRJEESA-N 1 0 457.640 4.771 20 0 JJADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[NH+](C)C ZINC001447824409 1066866386 /nfs/dbraw/zinc/86/63/86/1066866386.db2.gz VMCHCASGNTZJAF-HTAPYJJXSA-N 1 0 457.640 4.771 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[NH+](C)C ZINC001447824414 1066866507 /nfs/dbraw/zinc/86/65/07/1066866507.db2.gz VMCHCASGNTZJAF-VGSWGCGISA-N 1 0 457.640 4.771 20 0 JJADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)ccc21 ZINC001457579441 1066870299 /nfs/dbraw/zinc/87/02/99/1066870299.db2.gz CZEFSJYKSXKAPK-TZIWHRDSSA-N 1 0 456.631 4.957 20 0 JJADRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3cc(Br)ccc3OC(F)F)c2)C1 ZINC001457588361 1066872032 /nfs/dbraw/zinc/87/20/32/1066872032.db2.gz RJSOATDINZQDCY-INIZCTEOSA-N 1 0 453.327 4.790 20 0 JJADRO Cc1nccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001492710832 1066877113 /nfs/dbraw/zinc/87/71/13/1066877113.db2.gz DCQOYJGIEBOYFT-QPPBQGQZSA-N 1 0 463.674 4.561 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)cc2C1 ZINC001457617859 1066880334 /nfs/dbraw/zinc/88/03/34/1066880334.db2.gz ZPTKQLYCOKWIML-DEOSSOPVSA-N 1 0 455.643 4.754 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001492717187 1066883660 /nfs/dbraw/zinc/88/36/60/1066883660.db2.gz MLIBJGXAKKYQPF-SFHVURJKSA-N 1 0 470.065 4.706 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+](C(C)C)C(C)C ZINC001492717954 1066885435 /nfs/dbraw/zinc/88/54/35/1066885435.db2.gz YNOJIKPBLHRGNO-UHFFFAOYSA-N 1 0 476.044 4.843 20 0 JJADRO O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001457646304 1066890436 /nfs/dbraw/zinc/89/04/36/1066890436.db2.gz SQMNACZVXGDGGG-SFHVURJKSA-N 1 0 452.352 4.779 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1)c1cccc(C(F)(F)F)c1 ZINC001448072321 1066896882 /nfs/dbraw/zinc/89/68/82/1066896882.db2.gz YTTBJVSRGWEUEN-FPOVZHCZSA-N 1 0 453.892 4.661 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccsc1NC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC001448072483 1066896934 /nfs/dbraw/zinc/89/69/34/1066896934.db2.gz ZESLXYHWWXVNQN-MRXNPFEDSA-N 1 0 451.470 4.645 20 0 JJADRO Cc1cc(C)n(-c2ccccc2Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC001492729189 1066898892 /nfs/dbraw/zinc/89/88/92/1066898892.db2.gz WUWRSORJVDMFDX-UHFFFAOYSA-N 1 0 463.674 4.638 20 0 JJADRO COc1cc(/C=C(/C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c2ccccc2)ccc1O ZINC001448128590 1066903064 /nfs/dbraw/zinc/90/30/64/1066903064.db2.gz UYWUFWORCOJART-MMSVHKANSA-N 1 0 456.586 4.968 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)C2)n1 ZINC001492731788 1066903396 /nfs/dbraw/zinc/90/33/96/1066903396.db2.gz XDGMNIRGHRBCHZ-FCHUYYIVSA-N 1 0 469.703 4.886 20 0 JJADRO Cc1ncc2n1CC[C@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C)C2 ZINC001457717041 1066903981 /nfs/dbraw/zinc/90/39/81/1066903981.db2.gz VLYAVMZIGYBAEC-AVRDEDQJSA-N 1 0 451.442 4.676 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)n1 ZINC001492732227 1066904263 /nfs/dbraw/zinc/90/42/63/1066904263.db2.gz LQVZMUVMNYUVTL-FYYLOGMGSA-N 1 0 461.614 4.541 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492732424 1066905211 /nfs/dbraw/zinc/90/52/11/1066905211.db2.gz OODIPPBAWGYRKJ-JTHBVZDNSA-N 1 0 479.673 4.697 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492732988 1066906629 /nfs/dbraw/zinc/90/66/29/1066906629.db2.gz YYHUBKOWJATHQE-FQEVSTJZSA-N 1 0 473.616 4.734 20 0 JJADRO CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001546003326 1066907604 /nfs/dbraw/zinc/90/76/04/1066907604.db2.gz HKHYQIHBDPYAJA-JOCHJYFZSA-N 1 0 471.646 4.848 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492733781 1066907622 /nfs/dbraw/zinc/90/76/22/1066907622.db2.gz SLJORXCGVQHZQG-MIZPHKNDSA-N 1 0 455.695 4.665 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492733930 1066907850 /nfs/dbraw/zinc/90/78/50/1066907850.db2.gz WUVFPDQZDSHSJG-ZJSXRUAMSA-N 1 0 455.695 4.667 20 0 JJADRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)cc1 ZINC001457741809 1066908517 /nfs/dbraw/zinc/90/85/17/1066908517.db2.gz GNNFMOBDFMXWTO-LJQANCHMSA-N 1 0 455.356 4.538 20 0 JJADRO Cc1cc(NC(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001457743963 1066909386 /nfs/dbraw/zinc/90/93/86/1066909386.db2.gz LEOCNSGRBDDTCC-MEMLXQNLSA-N 1 0 458.647 4.547 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492736549 1066911566 /nfs/dbraw/zinc/91/15/66/1066911566.db2.gz JZJFTMKHWVGXOI-UHFFFAOYSA-N 1 0 491.606 4.914 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2ccc3nccc(C)c3c2)cc1Cl ZINC001457754143 1066912356 /nfs/dbraw/zinc/91/23/56/1066912356.db2.gz XBDKYPPGONZOEK-UHFFFAOYSA-N 1 0 452.986 4.911 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC001492738705 1066913448 /nfs/dbraw/zinc/91/34/48/1066913448.db2.gz HEPWRKRNOCHIOE-GHTZIAJQSA-N 1 0 495.619 4.673 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492742093 1066917880 /nfs/dbraw/zinc/91/78/80/1066917880.db2.gz LOXWJLZIHDALOV-XXBNENTESA-N 1 0 455.695 4.523 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC001492742541 1066917932 /nfs/dbraw/zinc/91/79/32/1066917932.db2.gz DUCDMGODJZZFOO-NRFANRHFSA-N 1 0 467.706 4.834 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001492743264 1066918957 /nfs/dbraw/zinc/91/89/57/1066918957.db2.gz NWQNXXMRNMMADM-QHCPKHFHSA-N 1 0 467.706 4.690 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492744284 1066919675 /nfs/dbraw/zinc/91/96/75/1066919675.db2.gz LNDJANOFSZKSBN-LJQANCHMSA-N 1 0 481.611 4.573 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001492744224 1066919850 /nfs/dbraw/zinc/91/98/50/1066919850.db2.gz JLNGOAUALFENJI-NRFANRHFSA-N 1 0 469.722 4.770 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492746008 1066921792 /nfs/dbraw/zinc/92/17/92/1066921792.db2.gz DYBFHQZYXVFVDZ-UHFFFAOYSA-N 1 0 480.488 4.551 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2cccc(C(F)F)c2)n1 ZINC001492746166 1066921874 /nfs/dbraw/zinc/92/18/74/1066921874.db2.gz JRUBFEVHXKQZET-UHFFFAOYSA-N 1 0 485.627 4.682 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001448399289 1066923337 /nfs/dbraw/zinc/92/33/37/1066923337.db2.gz IDJUFAWJXAXXPY-VWLOTQADSA-N 1 0 453.030 4.862 20 0 JJADRO CC[C@H](Cn1c(CC2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001546005857 1066925888 /nfs/dbraw/zinc/92/58/88/1066925888.db2.gz KRDARXWEBJQNGE-JOCHJYFZSA-N 1 0 473.065 4.614 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3c3ccccc3C)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001492751150 1066926001 /nfs/dbraw/zinc/92/60/01/1066926001.db2.gz SFLKPTKOKLWOQP-NOZRDPDXSA-N 1 0 463.674 4.766 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H](C)Cc2cccs2)n1 ZINC001492753107 1066926229 /nfs/dbraw/zinc/92/62/29/1066926229.db2.gz MLTCDSQOPYUXHO-HXUWFJFHSA-N 1 0 483.730 4.638 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCOC4(C3)CCCCCC4)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492755394 1066927271 /nfs/dbraw/zinc/92/72/71/1066927271.db2.gz YKMLTCAGIMEDGM-UHFFFAOYSA-N 1 0 485.721 4.578 20 0 JJADRO Cc1nnc(CCCn2c(CC(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001492766113 1066938488 /nfs/dbraw/zinc/93/84/88/1066938488.db2.gz BCJQPCNVIMBOEK-FQEVSTJZSA-N 1 0 473.735 4.750 20 0 JJADRO COc1ccc(OC(F)F)c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c1 ZINC001457900346 1066938909 /nfs/dbraw/zinc/93/89/09/1066938909.db2.gz AOEPGHQGAWQXTG-XZOQPEGZSA-N 1 0 458.549 4.851 20 0 JJADRO CC[C@]1(C)CN(c2nnc(Cc3ccccc3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001546095044 1066940842 /nfs/dbraw/zinc/94/08/42/1066940842.db2.gz FDZIUFCQPQJCLR-WXVAWEFUSA-N 1 0 453.675 4.695 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546095042 1066941053 /nfs/dbraw/zinc/94/10/53/1066941053.db2.gz FDZIUFCQPQJCLR-AMGIVPHBSA-N 1 0 453.675 4.695 20 0 JJADRO Cc1nc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)sc1Cc1cccc(Cl)c1F ZINC001448614026 1066942012 /nfs/dbraw/zinc/94/20/12/1066942012.db2.gz JPVFOBIVBPKQSV-UHFFFAOYSA-N 1 0 451.995 4.808 20 0 JJADRO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492776168 1066946635 /nfs/dbraw/zinc/94/66/35/1066946635.db2.gz SQVRACAHAMITSI-CQWAJIKYSA-N 1 0 488.721 4.710 20 0 JJADRO Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492775971 1066946653 /nfs/dbraw/zinc/94/66/53/1066946653.db2.gz NLNBNWSPOCDNOG-RTBURBONSA-N 1 0 466.424 4.860 20 0 JJADRO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)C/C(C)=C/c1ccccc1)[NH+]1CCCC1 ZINC001546008711 1066946777 /nfs/dbraw/zinc/94/67/77/1066946777.db2.gz VRDIBJDTVWNVSC-KZTQLJDNSA-N 1 0 461.658 4.554 20 0 JJADRO Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492778151 1066947238 /nfs/dbraw/zinc/94/72/38/1066947238.db2.gz PQNCSFRZQQKIRZ-ISKFKSNPSA-N 1 0 453.675 4.917 20 0 JJADRO Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492783476 1066948489 /nfs/dbraw/zinc/94/84/89/1066948489.db2.gz FASJQYHXMAXWKN-PEARBKPGSA-N 1 0 453.675 4.947 20 0 JJADRO Cc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492785831 1066948975 /nfs/dbraw/zinc/94/89/75/1066948975.db2.gz WWFGFMYLFPGWKL-UIOOFZCWSA-N 1 0 453.675 4.949 20 0 JJADRO Cc1nnc(N(C)CCCOc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001492786245 1066949020 /nfs/dbraw/zinc/94/90/20/1066949020.db2.gz JUNIVKJOISTCPC-CVDCTZTESA-N 1 0 457.619 4.776 20 0 JJADRO Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492785716 1066949037 /nfs/dbraw/zinc/94/90/37/1066949037.db2.gz SLWHRKPDFVIYJT-LIOHBJMPSA-N 1 0 453.675 4.949 20 0 JJADRO Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001492786296 1066949425 /nfs/dbraw/zinc/94/94/25/1066949425.db2.gz BVYHMFILOSKHFW-AVRDEDQJSA-N 1 0 460.047 4.900 20 0 JJADRO Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001492788524 1066949457 /nfs/dbraw/zinc/94/94/57/1066949457.db2.gz SPWNZQRTTAUPIA-FQEVSTJZSA-N 1 0 498.897 4.512 20 0 JJADRO Cc1nnc(N(C)CCCOc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001492786246 1066949573 /nfs/dbraw/zinc/94/95/73/1066949573.db2.gz JUNIVKJOISTCPC-WMZHIEFXSA-N 1 0 457.619 4.776 20 0 JJADRO CC[C@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001546095548 1066950696 /nfs/dbraw/zinc/95/06/96/1066950696.db2.gz OVWFSEVGMBZDPY-RCZVLFRGSA-N 1 0 453.656 4.547 20 0 JJADRO Cc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492796699 1066950836 /nfs/dbraw/zinc/95/08/36/1066950836.db2.gz FXFJCRKBHPKQFA-WOJBJXKFSA-N 1 0 455.622 4.583 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546095783 1066953235 /nfs/dbraw/zinc/95/32/35/1066953235.db2.gz UDIJKZNUBYBRJJ-OZXSUGGESA-N 1 0 457.638 4.524 20 0 JJADRO Cc1c(Br)ccc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1F ZINC001448734630 1066954602 /nfs/dbraw/zinc/95/46/02/1066954602.db2.gz IHVVKIGLIVDTPK-UHFFFAOYSA-N 1 0 454.771 4.701 20 0 JJADRO Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1Cc1sccc1Br ZINC001492846734 1066957171 /nfs/dbraw/zinc/95/71/71/1066957171.db2.gz HBVFBAMPTBPVEE-NVXWUHKLSA-N 1 0 452.466 4.550 20 0 JJADRO Cc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CCCCCCC[NH+]1CCCC1 ZINC001492866489 1066959311 /nfs/dbraw/zinc/95/93/11/1066959311.db2.gz DDWXSPXQHUOBKZ-UHFFFAOYSA-N 1 0 487.092 4.639 20 0 JJADRO Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001492940573 1066960346 /nfs/dbraw/zinc/96/03/46/1066960346.db2.gz BQIZUZNGAMOHPP-JOCHJYFZSA-N 1 0 465.564 4.839 20 0 JJADRO Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001492940632 1066960434 /nfs/dbraw/zinc/96/04/34/1066960434.db2.gz CDHUPMXOOHOEGI-JOCHJYFZSA-N 1 0 476.463 4.583 20 0 JJADRO Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001492941288 1066960673 /nfs/dbraw/zinc/96/06/73/1066960673.db2.gz HAFLCIYCDNKDOK-HXUWFJFHSA-N 1 0 452.430 4.736 20 0 JJADRO Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492944949 1066961340 /nfs/dbraw/zinc/96/13/40/1066961340.db2.gz VKCSYZLERHWCKI-QHCPKHFHSA-N 1 0 490.490 4.685 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC001458055966 1066963056 /nfs/dbraw/zinc/96/30/56/1066963056.db2.gz DGHWVWCWTZMFIF-QUCCMNQESA-N 1 0 456.512 4.922 20 0 JJADRO C[C@@H]1C[C@@H](CCNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C[N@@H+]1Cc1ccccc1 ZINC001458061100 1066964998 /nfs/dbraw/zinc/96/49/98/1066964998.db2.gz VJHUVRBPDXRCBK-UYAOXDASSA-N 1 0 453.533 4.969 20 0 JJADRO CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@@H](COC)C1)[NH+]1CCCC1 ZINC001546010112 1066965428 /nfs/dbraw/zinc/96/54/28/1066965428.db2.gz GBMOLXVLBMQOIW-DNQXCXABSA-N 1 0 469.674 4.601 20 0 JJADRO CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@H](COC)C1)[NH+]1CCCC1 ZINC001546010114 1066965606 /nfs/dbraw/zinc/96/56/06/1066965606.db2.gz GBMOLXVLBMQOIW-ZEQRLZLVSA-N 1 0 469.674 4.601 20 0 JJADRO CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+]1CCCC1 ZINC001546010506 1066969565 /nfs/dbraw/zinc/96/95/65/1066969565.db2.gz MVHFXXDLUVMNCL-LXFBAYGMSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1cccc(Br)c1 ZINC001458091577 1066971903 /nfs/dbraw/zinc/97/19/03/1066971903.db2.gz ANHPPPUINZGMDF-OAQYLSRUSA-N 1 0 453.384 4.582 20 0 JJADRO CC[C@@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545719642 1066973462 /nfs/dbraw/zinc/97/34/62/1066973462.db2.gz KDILCDCSPCMSIT-AOHZBQACSA-N 1 0 496.744 4.927 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)OC1CCCC1)[NH+]1CCCC1 ZINC001546010860 1066975452 /nfs/dbraw/zinc/97/54/52/1066975452.db2.gz TYDUULJBLKZQJN-LJQANCHMSA-N 1 0 492.462 4.804 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)OC1CCCC1)[NH+]1CCCC1 ZINC001546010859 1066975492 /nfs/dbraw/zinc/97/54/92/1066975492.db2.gz TYDUULJBLKZQJN-IBGZPJMESA-N 1 0 492.462 4.804 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545721681 1066976000 /nfs/dbraw/zinc/97/60/00/1066976000.db2.gz DWXSWMHUEWDOQY-HSZRJFAPSA-N 1 0 495.741 4.634 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545721682 1066976066 /nfs/dbraw/zinc/97/60/66/1066976066.db2.gz DWXSWMHUEWDOQY-QHCPKHFHSA-N 1 0 495.741 4.634 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2scnc2C)n1CC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545722022 1066976969 /nfs/dbraw/zinc/97/69/69/1066976969.db2.gz MBSYCPZPIXMQGE-KNQAVFIVSA-N 1 0 452.672 4.953 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545722097 1066977408 /nfs/dbraw/zinc/97/74/08/1066977408.db2.gz NTFYZWQDOMDCJT-DHLKQENFSA-N 1 0 463.674 4.793 20 0 JJADRO CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1c(C)nn(C)c1C)[NH+]1CCCC1 ZINC001545722700 1066978862 /nfs/dbraw/zinc/97/88/62/1066978862.db2.gz YYGZMRKPJVHPPT-DNQXCXABSA-N 1 0 463.674 4.681 20 0 JJADRO CC[C@@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CCC[NH+]1CCCCC1)c1ccccc1 ZINC001545723682 1066979460 /nfs/dbraw/zinc/97/94/60/1066979460.db2.gz DAOKUWGUTGWXSO-XMMPIXPASA-N 1 0 469.674 4.531 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2nccs2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545724433 1066981182 /nfs/dbraw/zinc/98/11/82/1066981182.db2.gz QGSQSCVAHLDIOP-PMACEKPBSA-N 1 0 450.612 4.809 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2ccsc2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001545724662 1066981595 /nfs/dbraw/zinc/98/15/95/1066981595.db2.gz VEJQKIUFKGJKPM-ZJSXRUAMSA-N 1 0 466.699 4.544 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001545730940 1066989168 /nfs/dbraw/zinc/98/91/68/1066989168.db2.gz IAUBKQNVCRCDLI-ZKMPZPQNSA-N 1 0 467.702 4.929 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546012140 1066990113 /nfs/dbraw/zinc/99/01/13/1066990113.db2.gz CFSIEFCVRZLELH-GGAORHGYSA-N 1 0 473.637 4.655 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731388 1066991248 /nfs/dbraw/zinc/99/12/48/1066991248.db2.gz NRRNIGFVHBRNTM-XMVJUMSVSA-N 1 0 453.675 4.680 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)C[C@H]2CC)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545731469 1066991302 /nfs/dbraw/zinc/99/13/02/1066991302.db2.gz OQCXQKYYONEOGH-PEISPCAHSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731968 1066992793 /nfs/dbraw/zinc/99/27/93/1066992793.db2.gz VSJSNBRKSCFLEJ-WMTXJRDZSA-N 1 0 461.658 4.636 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545733437 1066994369 /nfs/dbraw/zinc/99/43/69/1066994369.db2.gz BLZLMDSHOVFBET-JQYIIUTOSA-N 1 0 494.728 4.681 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001546097674 1066994717 /nfs/dbraw/zinc/99/47/17/1066994717.db2.gz NWYRZPLSCGIERF-MHZLTWQESA-N 1 0 453.675 4.723 20 0 JJADRO CC[C@@H](c1nnc(N2CC=C(COC)CC2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545733627 1066995722 /nfs/dbraw/zinc/99/57/22/1066995722.db2.gz FJBAPJWOKVODDS-XMMPIXPASA-N 1 0 451.659 4.867 20 0 JJADRO CC[C@@H](Cn1c(COc2ccccc2F)nnc1N(C)Cc1cc(C)cs1)[NH+]1CCCC1 ZINC001546012863 1066995902 /nfs/dbraw/zinc/99/59/02/1066995902.db2.gz QAFZQZUALFLLCF-IBGZPJMESA-N 1 0 457.619 4.877 20 0 JJADRO C[C@H]([NH2+]C1(CNc2ncnc(C(F)(F)F)c2Br)CCOCC1)c1ccccc1 ZINC001458173939 1066996310 /nfs/dbraw/zinc/99/63/10/1066996310.db2.gz BVQRUEJCEGHMHM-ZDUSSCGKSA-N 1 0 459.310 4.570 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545734358 1066997203 /nfs/dbraw/zinc/99/72/03/1066997203.db2.gz REAGFMQIQFBFQS-FQEVSTJZSA-N 1 0 465.564 4.508 20 0 JJADRO CC[C@H](c1nnc(N2CC=C(COC)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734621 1066998120 /nfs/dbraw/zinc/99/81/20/1066998120.db2.gz WKJHSVAOKXPXBB-ZEVJAHDQSA-N 1 0 465.686 4.971 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCC=C(Br)C1)[NH+]1CCCC1 ZINC001546013072 1066998271 /nfs/dbraw/zinc/99/82/71/1066998271.db2.gz UGYTVWCWCFJKJQ-HXUWFJFHSA-N 1 0 474.447 4.529 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)C1)[NH+]1CCCC1 ZINC001546013115 1066999670 /nfs/dbraw/zinc/99/96/70/1066999670.db2.gz UZEDCLXEFUCFRR-INIZCTEOSA-N 1 0 474.383 4.884 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001545736355 1067000225 /nfs/dbraw/zinc/00/02/25/1067000225.db2.gz PHVKTQUGTHNOHC-IRLDBZIGSA-N 1 0 484.689 4.654 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC([NH2+]C(C)C)CC1)OC ZINC001546013369 1067002024 /nfs/dbraw/zinc/00/20/24/1067002024.db2.gz ZQLKIAQJNPYOBK-GOSISDBHSA-N 1 0 470.445 4.556 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545738181 1067002199 /nfs/dbraw/zinc/00/21/99/1067002199.db2.gz DELBHZDKHZAGCV-ILBGXUMGSA-N 1 0 467.702 4.928 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(CO)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001545738852 1067003911 /nfs/dbraw/zinc/00/39/11/1067003911.db2.gz PGTHTMOEYCBDAL-JQYIIUTOSA-N 1 0 467.702 4.787 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC001545739401 1067005091 /nfs/dbraw/zinc/00/50/91/1067005091.db2.gz ZMHFIRKGXLKRHC-AHKZPQOWSA-N 1 0 494.728 4.541 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545740637 1067005854 /nfs/dbraw/zinc/00/58/54/1067005854.db2.gz BBBPJPKMBWSHRV-GBXCKJPGSA-N 1 0 496.700 4.796 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1CC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC001545740851 1067006542 /nfs/dbraw/zinc/00/65/42/1067006542.db2.gz FGDZQHUTDKVYDH-AREMUKBSSA-N 1 0 494.728 4.922 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1CCc1nccs1)c1ccccc1 ZINC001545741204 1067007305 /nfs/dbraw/zinc/00/73/05/1067007305.db2.gz LPUCUXLSEAJLAK-QFIPXVFZSA-N 1 0 452.672 4.830 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCOCC(F)F)c1ccccc1 ZINC001545741342 1067007521 /nfs/dbraw/zinc/00/75/21/1067007521.db2.gz ORIYYZUJXUKWGJ-QFIPXVFZSA-N 1 0 461.601 4.556 20 0 JJADRO CC[C@H](c1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001545741384 1067007744 /nfs/dbraw/zinc/00/77/44/1067007744.db2.gz PGEJPIVYENCTKW-NQIIRXRSSA-N 1 0 489.590 4.827 20 0 JJADRO CC[C@H](c1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001545741486 1067007778 /nfs/dbraw/zinc/00/77/78/1067007778.db2.gz RCWKCXJXALJTNI-CVDCTZTESA-N 1 0 494.709 4.539 20 0 JJADRO CC[C@H](c1nnc(N2CCC(F)(F)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545741796 1067008430 /nfs/dbraw/zinc/00/84/30/1067008430.db2.gz WQKXAXMXDZDAMM-ZVDOUQERSA-N 1 0 461.601 4.553 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001545741807 1067008513 /nfs/dbraw/zinc/00/85/13/1067008513.db2.gz WTTFPTQEDFGKPX-JSRBNTPPSA-N 1 0 498.716 4.900 20 0 JJADRO CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001546014126 1067009000 /nfs/dbraw/zinc/00/90/00/1067009000.db2.gz BPDSBBFISLHIDM-UNMCSNQZSA-N 1 0 478.106 4.959 20 0 JJADRO CC[C@@H](Cn1c(N(C)CCc2ccc(Br)cc2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014179 1067009388 /nfs/dbraw/zinc/00/93/88/1067009388.db2.gz CZKLBSHTYMDERA-FQEVSTJZSA-N 1 0 462.480 4.891 20 0 JJADRO CC[C@@H](Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001546014399 1067010024 /nfs/dbraw/zinc/01/00/24/1067010024.db2.gz HZBSQZAOTRWJNW-FGTMMUONSA-N 1 0 469.527 4.505 20 0 JJADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1CC)[NH+]1CCCC1 ZINC001546014578 1067010505 /nfs/dbraw/zinc/01/05/05/1067010505.db2.gz LAKLFYSWJMWJIK-ITBHCLRTSA-N 1 0 474.694 4.548 20 0 JJADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1CC)[NH+]1CCCC1 ZINC001546014577 1067010640 /nfs/dbraw/zinc/01/06/40/1067010640.db2.gz LAKLFYSWJMWJIK-BDHVOXNPSA-N 1 0 474.694 4.548 20 0 JJADRO CC[C@H](Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC001546014707 1067011212 /nfs/dbraw/zinc/01/12/12/1067011212.db2.gz MTHKVKOASMUFKY-BDTNDASRSA-N 1 0 455.647 4.755 20 0 JJADRO CC[C@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545745612 1067012526 /nfs/dbraw/zinc/01/25/26/1067012526.db2.gz DDYUXIGARRGOJL-ZCYQVOJMSA-N 1 0 466.718 4.720 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC001449564966 1067014665 /nfs/dbraw/zinc/01/46/65/1067014665.db2.gz WAWMCOVLSHKCHG-UHFFFAOYSA-N 1 0 450.048 4.644 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545746574 1067014984 /nfs/dbraw/zinc/01/49/84/1067014984.db2.gz RBGPYNWCNYNKSC-PTUXOGIPSA-N 1 0 465.646 4.626 20 0 JJADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC001449580889 1067015552 /nfs/dbraw/zinc/01/55/52/1067015552.db2.gz IBNXRHDHUDMTFX-QFIPXVFZSA-N 1 0 459.631 4.763 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545749303 1067019591 /nfs/dbraw/zinc/01/95/91/1067019591.db2.gz MQUGZHPNECCMDQ-DHIUTWEWSA-N 1 0 498.716 4.901 20 0 JJADRO Cc1cn(CC(=O)Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)nc1C(F)(F)F ZINC001458287017 1067021732 /nfs/dbraw/zinc/02/17/32/1067021732.db2.gz ZNTAYKBDDZTFIZ-FQEVSTJZSA-N 1 0 452.521 4.629 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001545751510 1067024308 /nfs/dbraw/zinc/02/43/08/1067024308.db2.gz GXIWFWCYJXFALU-VDKIKQQVSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@@H+]1CCCC[C@H]1CC)c1ccccc1 ZINC001545751627 1067024366 /nfs/dbraw/zinc/02/43/66/1067024366.db2.gz JDVCETDRQKGMLC-CLJLJLNGSA-N 1 0 494.728 4.779 20 0 JJADRO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545751700 1067025128 /nfs/dbraw/zinc/02/51/28/1067025128.db2.gz KBIDFTSRBYYGJY-ZEQKJWHPSA-N 1 0 480.701 4.533 20 0 JJADRO CC[C@H](Cn1c(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546016940 1067025230 /nfs/dbraw/zinc/02/52/30/1067025230.db2.gz LRABYYHFHUCBBG-MSOLQXFVSA-N 1 0 467.584 4.507 20 0 JJADRO CC[C@@H](Cn1c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017004 1067025475 /nfs/dbraw/zinc/02/54/75/1067025475.db2.gz NFAVUNNXVKAULJ-VXKWHMMOSA-N 1 0 490.737 4.971 20 0 JJADRO CC[C@@H](Cn1c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017005 1067025656 /nfs/dbraw/zinc/02/56/56/1067025656.db2.gz NFAVUNNXVKAULJ-YADHBBJMSA-N 1 0 490.737 4.971 20 0 JJADRO CC[C@H](Cn1c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017003 1067025672 /nfs/dbraw/zinc/02/56/72/1067025672.db2.gz NFAVUNNXVKAULJ-FGZHOGPDSA-N 1 0 490.737 4.971 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccs1)[NH+]1CCCC1 ZINC001546017024 1067025689 /nfs/dbraw/zinc/02/56/89/1067025689.db2.gz NQKRMWLUQGFTRS-CTNGQTDRSA-N 1 0 488.702 4.922 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001545751736 1067025718 /nfs/dbraw/zinc/02/57/18/1067025718.db2.gz KMHXEPFTBYDOHT-DNRSQYFGSA-N 1 0 483.701 4.572 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CC(F)(F)CO1)c1ccccc1 ZINC001545752231 1067027518 /nfs/dbraw/zinc/02/75/18/1067027518.db2.gz SVIUEEQGCMUMIZ-LEWJYISDSA-N 1 0 461.601 4.555 20 0 JJADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001545753070 1067029361 /nfs/dbraw/zinc/02/93/61/1067029361.db2.gz JFYTXEJGLPWKQB-RBUKOAKNSA-N 1 0 454.423 4.615 20 0 JJADRO CC[C@@H](Cn1c(N2CCC(OCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001546017343 1067029740 /nfs/dbraw/zinc/02/97/40/1067029740.db2.gz SQRRCXTYCZRDSL-QFIPXVFZSA-N 1 0 453.675 4.851 20 0 JJADRO CC[C@H](Cn1c(N2CCC(OCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001546017342 1067029804 /nfs/dbraw/zinc/02/98/04/1067029804.db2.gz SQRRCXTYCZRDSL-JOCHJYFZSA-N 1 0 453.675 4.851 20 0 JJADRO CC[C@H](Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017495 1067030163 /nfs/dbraw/zinc/03/01/63/1067030163.db2.gz VRGWNPILWRTZIB-QDPGVEIFSA-N 1 0 483.701 4.823 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545754645 1067031449 /nfs/dbraw/zinc/03/14/49/1067031449.db2.gz RRLIUFNKGUYWNA-ISKFKSNPSA-N 1 0 498.716 4.996 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001545754450 1067031478 /nfs/dbraw/zinc/03/14/78/1067031478.db2.gz NCBGIKWHPPNUTJ-VWNXMTODSA-N 1 0 496.700 4.609 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545754726 1067031773 /nfs/dbraw/zinc/03/17/73/1067031773.db2.gz TZIQZIYJRIXSOP-XMMPIXPASA-N 1 0 494.728 4.779 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756169 1067033013 /nfs/dbraw/zinc/03/30/13/1067033013.db2.gz BVLARBUGOKJNGS-GMAHTHKFSA-N 1 0 484.689 4.511 20 0 JJADRO CC[C@H](c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545756942 1067035194 /nfs/dbraw/zinc/03/51/94/1067035194.db2.gz QICCLKZKXMQIAT-VWLOTQADSA-N 1 0 493.675 4.800 20 0 JJADRO CC[C@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545758177 1067037047 /nfs/dbraw/zinc/03/70/47/1067037047.db2.gz BAJALHKXWMLQRH-GGAORHGYSA-N 1 0 492.634 4.625 20 0 JJADRO CC1(C)CN(C(=O)c2ccc(Br)cc2O)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449910352 1067037146 /nfs/dbraw/zinc/03/71/46/1067037146.db2.gz JYFAVOZUINIPRH-QFIPXVFZSA-N 1 0 457.412 4.918 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545758359 1067037765 /nfs/dbraw/zinc/03/77/65/1067037765.db2.gz FJKAMDRSRJYIJP-XMMPIXPASA-N 1 0 498.716 4.855 20 0 JJADRO FC(F)(F)c1ccc(I)c(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC001458346997 1067037761 /nfs/dbraw/zinc/03/77/61/1067037761.db2.gz NCWLIVNBTZDGQI-ZDUSSCGKSA-N 1 0 453.290 4.914 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCCCO1)c1ccccc1 ZINC001545758551 1067038060 /nfs/dbraw/zinc/03/80/60/1067038060.db2.gz IXEPADLYSSNTLL-ZEQRLZLVSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545758912 1067040564 /nfs/dbraw/zinc/04/05/64/1067040564.db2.gz PAXJXGFIAFKJOC-DEOSSOPVSA-N 1 0 496.700 4.609 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758896 1067040597 /nfs/dbraw/zinc/04/05/97/1067040597.db2.gz OWNXEHMENKMAFU-RBBKRZOGSA-N 1 0 484.689 4.654 20 0 JJADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021666 1067042429 /nfs/dbraw/zinc/04/24/29/1067042429.db2.gz OMVSJAILOYNOCK-WIYYLYMNSA-N 1 0 453.435 4.790 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545760563 1067043526 /nfs/dbraw/zinc/04/35/26/1067043526.db2.gz FUZQGIDWRXIHLZ-LEWJYISDSA-N 1 0 479.591 4.710 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545760564 1067043623 /nfs/dbraw/zinc/04/36/23/1067043623.db2.gz FUZQGIDWRXIHLZ-NHCUHLMSSA-N 1 0 479.591 4.710 20 0 JJADRO C[N@H+](CCc1cccc(NC(=O)c2nn(-c3ccccc3F)cc2Br)c1)C1CC1 ZINC001458375571 1067045741 /nfs/dbraw/zinc/04/57/41/1067045741.db2.gz LNRZMJBTYUMFHU-UHFFFAOYSA-N 1 0 457.347 4.663 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545761838 1067045904 /nfs/dbraw/zinc/04/59/04/1067045904.db2.gz XQWOQSZSBVWQHA-AOHZBQACSA-N 1 0 465.642 4.967 20 0 JJADRO CC[C@H](c1nnc(N2CCOC(C)(C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC001545763177 1067046613 /nfs/dbraw/zinc/04/66/13/1067046613.db2.gz DOUKJSBPJFAFBY-BJKOFHAPSA-N 1 0 453.675 4.946 20 0 JJADRO Cc1nc(C2CCC2)sc1CC(=O)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC001458387293 1067047947 /nfs/dbraw/zinc/04/79/47/1067047947.db2.gz RQESESOCQPKHBX-OALUTQOASA-N 1 0 455.668 4.587 20 0 JJADRO CC[C@@H](c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545764677 1067049420 /nfs/dbraw/zinc/04/94/20/1067049420.db2.gz ZRLURYCDFHSTES-AOHZBQACSA-N 1 0 453.675 4.944 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001545764686 1067049502 /nfs/dbraw/zinc/04/95/02/1067049502.db2.gz ZVOSQYJPQWMSAR-KCWPFWIISA-N 1 0 453.675 4.947 20 0 JJADRO Cc1cc(O[C@H](C)C(=O)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)ccc1Cl ZINC001458396095 1067050584 /nfs/dbraw/zinc/05/05/84/1067050584.db2.gz NSCVUDCRGWTPPJ-NJDAHSKKSA-N 1 0 459.030 4.741 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C3(Cc4cccc(Cl)c4)CC3)cc2)C[C@H]1C ZINC001458395909 1067050635 /nfs/dbraw/zinc/05/06/35/1067050635.db2.gz NOAIKPWIOOCEPY-NHCUHLMSSA-N 1 0 455.042 4.988 20 0 JJADRO CSc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001450127499 1067051744 /nfs/dbraw/zinc/05/17/44/1067051744.db2.gz KRMDACPAOOWYGQ-QFIPXVFZSA-N 1 0 455.624 4.739 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)[NH+](C)C)cc1 ZINC001450132523 1067051924 /nfs/dbraw/zinc/05/19/24/1067051924.db2.gz PXHOMMIEISDSBY-WIYYLYMNSA-N 1 0 454.665 4.654 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[N@@H+]2CCC[C@H]2C)CCO1 ZINC001546100255 1067052567 /nfs/dbraw/zinc/05/25/67/1067052567.db2.gz VTCKVNPLYMTSIC-RLWLMLJZSA-N 1 0 490.092 4.741 20 0 JJADRO CC[C@H](c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545768590 1067054599 /nfs/dbraw/zinc/05/45/99/1067054599.db2.gz ZPZQISOBUBRPGF-JWRIFHQMSA-N 1 0 481.632 4.892 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCCC[NH+]2CCC(C)CC2)CCO1 ZINC001546100395 1067055549 /nfs/dbraw/zinc/05/55/49/1067055549.db2.gz YLGVWKGLNTXJLY-NDEPHWFRSA-N 1 0 483.701 4.991 20 0 JJADRO COc1ccc(-c2nnc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)s2)cc1 ZINC001458421468 1067057190 /nfs/dbraw/zinc/05/71/90/1067057190.db2.gz OUZFRRLNPXOHFK-IFMALSPDSA-N 1 0 450.608 4.947 20 0 JJADRO C[C@H](CCc1ccc(I)cc1)CC(=O)Nc1ccccc1C[NH+](C)C ZINC001450218428 1067060590 /nfs/dbraw/zinc/06/05/90/1067060590.db2.gz IQIRRDMKNSULPS-MRXNPFEDSA-N 1 0 450.364 4.950 20 0 JJADRO Cc1cc2c(c(F)c1)C[C@H](C(=O)NC1CCC3(CC1)CC[NH+](C)CC3)N2C(=O)OC(C)(C)C ZINC001450229020 1067061567 /nfs/dbraw/zinc/06/15/67/1067061567.db2.gz IGAYVMMKAJXBHE-JOCHJYFZSA-N 1 0 459.606 4.571 20 0 JJADRO Cc1ccc(C2(C(=O)NC[C@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)c(F)c3)CCOCC2)cc1C ZINC001458445444 1067062377 /nfs/dbraw/zinc/06/23/77/1067062377.db2.gz CGVYLKKBNCABLY-YKSBVNFPSA-N 1 0 459.005 4.953 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001450240261 1067062931 /nfs/dbraw/zinc/06/29/31/1067062931.db2.gz OQKWHSGPAXMYIY-KWDCZQRMSA-N 1 0 455.643 4.726 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545774259 1067065543 /nfs/dbraw/zinc/06/55/43/1067065543.db2.gz JHBDJGLLKWQBLU-UHFFFAOYSA-N 1 0 488.677 4.851 20 0 JJADRO CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)SC ZINC001545783963 1067079630 /nfs/dbraw/zinc/07/96/30/1067079630.db2.gz HJGJBJLHJONRNI-OAQYLSRUSA-N 1 0 451.725 4.998 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC001458535544 1067083557 /nfs/dbraw/zinc/08/35/57/1067083557.db2.gz GNCQBBZUQZXERC-ALBFYNPWSA-N 1 0 460.643 4.825 20 0 JJADRO CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1)OC ZINC001545788210 1067084137 /nfs/dbraw/zinc/08/41/37/1067084137.db2.gz MPUNLHOHKRORAK-UHFFFAOYSA-N 1 0 475.628 4.807 20 0 JJADRO CC(C)C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001450486920 1067084745 /nfs/dbraw/zinc/08/47/45/1067084745.db2.gz PIRQWBRAWWDFEX-ZBFHGGJFSA-N 1 0 456.439 4.515 20 0 JJADRO CC(C)Oc1ccc([C@H](CNC(=O)C(F)(F)c2ccc(Br)cc2)[NH+](C)C)cc1 ZINC001450538217 1067087475 /nfs/dbraw/zinc/08/74/75/1067087475.db2.gz CHIPULCZDPOTJJ-IBGZPJMESA-N 1 0 455.343 4.747 20 0 JJADRO CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)SC ZINC001545791502 1067089224 /nfs/dbraw/zinc/08/92/24/1067089224.db2.gz UUCAUJZXRZTSOO-UHFFFAOYSA-N 1 0 490.806 4.927 20 0 JJADRO CCC(O)(CC)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001546024352 1067092245 /nfs/dbraw/zinc/09/22/45/1067092245.db2.gz BTSNLMLQTFPFRZ-UHFFFAOYSA-N 1 0 460.066 4.852 20 0 JJADRO CCC(CC)(Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1)OC ZINC001545795146 1067095599 /nfs/dbraw/zinc/09/55/99/1067095599.db2.gz ZQAWXGPCCWEYES-UHFFFAOYSA-N 1 0 475.703 4.705 20 0 JJADRO Cc1ccc(NC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)cc1NC(=O)CC[NH+](C)C ZINC001458655092 1067101177 /nfs/dbraw/zinc/10/11/77/1067101177.db2.gz RXXSCXYDIJKTFW-AUSIDOKSSA-N 1 0 458.400 4.564 20 0 JJADRO CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001458671110 1067105101 /nfs/dbraw/zinc/10/51/01/1067105101.db2.gz RZWSPCRLNAFAPB-QFIPXVFZSA-N 1 0 452.986 4.836 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(F)cc1 ZINC001450704822 1067108107 /nfs/dbraw/zinc/10/81/07/1067108107.db2.gz OCQWRIFYJGAPBT-QHCPKHFHSA-N 1 0 459.521 4.786 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCCCC1)[NH+](C)C ZINC001545803044 1067111141 /nfs/dbraw/zinc/11/11/41/1067111141.db2.gz HBFZGRDQIXVRGH-HSZRJFAPSA-N 1 0 454.663 4.894 20 0 JJADRO CC(C)OCc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccc1O ZINC001450737861 1067113650 /nfs/dbraw/zinc/11/36/50/1067113650.db2.gz GDCYZLSVRKYVCE-FGZHOGPDSA-N 1 0 451.592 4.628 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(OC)CC1)[NH+](C)C ZINC001545804969 1067117535 /nfs/dbraw/zinc/11/75/35/1067117535.db2.gz FZDRXOFPHOBRIC-OFNKIYASSA-N 1 0 495.510 4.798 20 0 JJADRO CC(C)Cc1ccc([C@@H](CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)[NH+](C)C)cc1 ZINC001450776875 1067119058 /nfs/dbraw/zinc/11/90/58/1067119058.db2.gz BEDIWGXUMYTDDN-UBWSJTQOSA-N 1 0 459.590 4.668 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)C1)[NH+](C)C ZINC001545805388 1067119697 /nfs/dbraw/zinc/11/96/97/1067119697.db2.gz MJJGVZQIRVEFLF-SFHVURJKSA-N 1 0 457.516 4.758 20 0 JJADRO CC(C)Cc1ccc([C@H](CNC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)[NH+](C)C)cc1 ZINC001450776883 1067119872 /nfs/dbraw/zinc/11/98/72/1067119872.db2.gz BEDIWGXUMYTDDN-XJMDBVJMSA-N 1 0 459.590 4.668 20 0 JJADRO CC(C)Cc1ccc([C@H](CNC(=O)c2cccc(I)c2)[NH+](C)C)cc1 ZINC001450778472 1067119882 /nfs/dbraw/zinc/11/98/82/1067119882.db2.gz CYHKKJCDPROMAN-FQEVSTJZSA-N 1 0 450.364 4.522 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCOC[C@H](C2CCC2)C1)[NH+](C)C ZINC001545805548 1067120222 /nfs/dbraw/zinc/12/02/22/1067120222.db2.gz OXAWZVNXKYFIKN-NOZRDPDXSA-N 1 0 469.674 4.573 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CO)CC1)[NH+](C)C ZINC001545805725 1067120932 /nfs/dbraw/zinc/12/09/32/1067120932.db2.gz REFCYJVPHDJZOM-AVRDEDQJSA-N 1 0 473.731 4.707 20 0 JJADRO C[C@@H]1[C@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001450789490 1067121090 /nfs/dbraw/zinc/12/10/90/1067121090.db2.gz JOBYHXMSEWGVQU-ZJSXRUAMSA-N 1 0 457.659 4.973 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H]1c1ccc(O)cc1)[NH+]1CCOCC1 ZINC001545805768 1067121673 /nfs/dbraw/zinc/12/16/73/1067121673.db2.gz RUTXHKBMQZNNDK-ZEQRLZLVSA-N 1 0 455.647 4.586 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](OC)C1)[NH+](C)C ZINC001545805974 1067122184 /nfs/dbraw/zinc/12/21/84/1067122184.db2.gz WBTFYZABXFHJAS-SQJMNOBHSA-N 1 0 464.658 4.783 20 0 JJADRO C[C@H]1[C@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001450796597 1067122502 /nfs/dbraw/zinc/12/25/02/1067122502.db2.gz OYKZQCYYPJEJMR-GAJHUEQPSA-N 1 0 452.549 4.976 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C)C1)[NH+](C)C ZINC001545806146 1067122857 /nfs/dbraw/zinc/12/28/57/1067122857.db2.gz ZTWCYRAQESZLMM-OXJNMPFZSA-N 1 0 465.484 4.649 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC=C(C)CC1)[NH+](C)C ZINC001545806121 1067122880 /nfs/dbraw/zinc/12/28/80/1067122880.db2.gz ZJSYCFBISINZBR-FQEVSTJZSA-N 1 0 463.468 4.569 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCC1)[NH+]1CCOCC1 ZINC001545807202 1067124253 /nfs/dbraw/zinc/12/42/53/1067124253.db2.gz CUMYXINLOVDACR-XMMPIXPASA-N 1 0 453.675 4.980 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)[NH+](C)C ZINC001545807408 1067126077 /nfs/dbraw/zinc/12/60/77/1067126077.db2.gz HNZXMWTZMZNFSD-XPNTWCBSSA-N 1 0 460.066 4.828 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)[NH+](C)C ZINC001545807407 1067126180 /nfs/dbraw/zinc/12/61/80/1067126180.db2.gz HNZXMWTZMZNFSD-XJUOHMSHSA-N 1 0 460.066 4.828 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCOC2)C1)[NH+](C)C ZINC001545807584 1067127088 /nfs/dbraw/zinc/12/70/88/1067127088.db2.gz KWRDUKXFKMJCOX-ZJSXRUAMSA-N 1 0 490.490 4.691 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545807622 1067127401 /nfs/dbraw/zinc/12/74/01/1067127401.db2.gz LLQUKNQZYBFLFW-NHCUHLMSSA-N 1 0 488.677 4.706 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545808409 1067127491 /nfs/dbraw/zinc/12/74/91/1067127491.db2.gz XZSCPIRPTMFLLS-OLMNPRSZSA-N 1 0 472.987 4.995 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C ZINC001545807774 1067128185 /nfs/dbraw/zinc/12/81/85/1067128185.db2.gz OCTAHYGRFZMGCW-VWNXMTODSA-N 1 0 469.605 4.930 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C ZINC001545807772 1067128273 /nfs/dbraw/zinc/12/82/73/1067128273.db2.gz OCTAHYGRFZMGCW-LADGPHEKSA-N 1 0 469.605 4.930 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001545807779 1067128872 /nfs/dbraw/zinc/12/88/72/1067128872.db2.gz OEFYYUKMJGJNBQ-MRUHUIDDSA-N 1 0 496.469 4.827 20 0 JJADRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)O2 ZINC001450846971 1067131675 /nfs/dbraw/zinc/13/16/75/1067131675.db2.gz KQYWCKDPLOZBSC-NEKDWFFYSA-N 1 0 450.623 4.820 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC001545808204 1067132287 /nfs/dbraw/zinc/13/22/87/1067132287.db2.gz UQUZPBZSEOJWIP-SQJMNOBHSA-N 1 0 483.701 4.963 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001545808170 1067132345 /nfs/dbraw/zinc/13/23/45/1067132345.db2.gz UGDGVWGRCOJOPC-WOJBJXKFSA-N 1 0 497.034 4.612 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1)[NH+](C)C ZINC001545808235 1067133083 /nfs/dbraw/zinc/13/30/83/1067133083.db2.gz VJSCPTKXKNALAM-FBLLAGFSSA-N 1 0 453.675 4.955 20 0 JJADRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1 ZINC001545809051 1067135104 /nfs/dbraw/zinc/13/51/04/1067135104.db2.gz RRQMYHKIGIBQIO-QHCPKHFHSA-N 1 0 450.583 4.612 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545809531 1067135622 /nfs/dbraw/zinc/13/56/22/1067135622.db2.gz FOSFMPWTRGTTQT-XZOQPEGZSA-N 1 0 471.049 4.871 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC(c2nc(C)no2)CC1)[NH+](C)C ZINC001545809536 1067135673 /nfs/dbraw/zinc/13/56/73/1067135673.db2.gz FQPPVOYIJHZQTM-HSZRJFAPSA-N 1 0 465.646 4.695 20 0 JJADRO CC(C)(C)OC(=O)c1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001458768109 1067136011 /nfs/dbraw/zinc/13/60/11/1067136011.db2.gz MUGHFACIJAISPG-IZZNHLLZSA-N 1 0 472.585 4.996 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545809631 1067136250 /nfs/dbraw/zinc/13/62/50/1067136250.db2.gz HTPFHVZJWRYYJY-ZFGGDYGUSA-N 1 0 471.715 4.721 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]1Cc1cccs1)[NH+](C)C ZINC001545809688 1067136286 /nfs/dbraw/zinc/13/62/86/1067136286.db2.gz INYPTXVLIHUJSD-NFBKMPQASA-N 1 0 454.688 4.923 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545810476 1067138740 /nfs/dbraw/zinc/13/87/40/1067138740.db2.gz XEGRAFBLELHGSR-DEOSSOPVSA-N 1 0 455.622 4.768 20 0 JJADRO CN1CC[C@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@H]1c1ccc(F)cc1 ZINC001545811289 1067139629 /nfs/dbraw/zinc/13/96/29/1067139629.db2.gz RCHIUCLZEFEOEU-QFBILLFUSA-N 1 0 450.739 4.898 20 0 JJADRO CN(C/C=C/C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC001451026839 1067139843 /nfs/dbraw/zinc/13/98/43/1067139843.db2.gz BKINXMMGTXBUJY-UJVYDMDKSA-N 1 0 451.577 4.720 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001545812141 1067140060 /nfs/dbraw/zinc/14/00/60/1067140060.db2.gz JJPDMDAVYWPRFN-AGHHOFFYSA-N 1 0 454.594 4.761 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Br)cs1)[NH+](C)C ZINC001545812028 1067140123 /nfs/dbraw/zinc/14/01/23/1067140123.db2.gz HFCCVJGEDYLWEC-LJQANCHMSA-N 1 0 494.507 4.505 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCc2c(F)cc(F)cc2C1)[NH+](C)C ZINC001545812308 1067140654 /nfs/dbraw/zinc/14/06/54/1067140654.db2.gz LYEQUNNMCUXIOM-XMMPIXPASA-N 1 0 468.596 4.856 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccccc2C)C1)[NH+](C)C ZINC001545812390 1067140726 /nfs/dbraw/zinc/14/07/26/1067140726.db2.gz NYJKVXSDGZVBIK-FTJBHMTQSA-N 1 0 476.669 4.901 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1scnc1C)[NH+](C)C ZINC001545814751 1067143059 /nfs/dbraw/zinc/14/30/59/1067143059.db2.gz GSPYKDVNXMCWDG-UGKGYDQZSA-N 1 0 484.670 4.558 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001545814952 1067143399 /nfs/dbraw/zinc/14/33/99/1067143399.db2.gz JUXNVQOZEGGTDY-SGNDLWITSA-N 1 0 461.695 4.529 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[C@@H]21)[NH+](C)C ZINC001545814903 1067143511 /nfs/dbraw/zinc/14/35/11/1067143511.db2.gz IUCRFCIXESYBCH-VJBWXMMDSA-N 1 0 488.721 4.748 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)[NH+](C)C ZINC001545815119 1067144054 /nfs/dbraw/zinc/14/40/54/1067144054.db2.gz MQKYZHDPIKFEFK-DNQXCXABSA-N 1 0 499.679 4.842 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)[NH+](C)C ZINC001545815118 1067144096 /nfs/dbraw/zinc/14/40/96/1067144096.db2.gz MQKYZHDPIKFEFK-BJKOFHAPSA-N 1 0 499.679 4.842 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1)[NH+](C)C ZINC001545815153 1067144228 /nfs/dbraw/zinc/14/42/28/1067144228.db2.gz MXGXQQZVROAQMD-SDHOMARFSA-N 1 0 468.690 4.967 20 0 JJADRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC001451085177 1067145295 /nfs/dbraw/zinc/14/52/95/1067145295.db2.gz BZNDICFUKGATQX-UHFFFAOYSA-N 1 0 452.555 4.916 20 0 JJADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001451087452 1067145325 /nfs/dbraw/zinc/14/53/25/1067145325.db2.gz LRXRSPOGYDKFMW-MRXNPFEDSA-N 1 0 453.384 4.521 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1)[NH+](C)C ZINC001545815682 1067145144 /nfs/dbraw/zinc/14/51/44/1067145144.db2.gz TXCBURGJMAEFDP-LOSJGSFVSA-N 1 0 497.684 4.691 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](SC)C1)[NH+](C)C ZINC001545817204 1067147421 /nfs/dbraw/zinc/14/74/21/1067147421.db2.gz GJMVBDUJLWESSP-NHCUHLMSSA-N 1 0 464.749 4.722 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCS[C@H](C(C)C)C1)[NH+](C)C ZINC001545817245 1067147868 /nfs/dbraw/zinc/14/78/68/1067147868.db2.gz GZYOQKHCLTXBGM-PKTZIBPZSA-N 1 0 461.695 4.952 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C)c(C)c2)CC1)[NH+]1CCOCC1 ZINC001545817232 1067147903 /nfs/dbraw/zinc/14/79/03/1067147903.db2.gz GUTBXFJCCSYBQH-MHZLTWQESA-N 1 0 496.744 4.557 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)C[C@H]1CC)[NH+]1CCOCC1 ZINC001545817312 1067148598 /nfs/dbraw/zinc/14/85/98/1067148598.db2.gz IBPKTNJMWWECFG-ZPZUNKDASA-N 1 0 471.665 4.770 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cccs2)CC1)[NH+](C)C ZINC001545817432 1067149147 /nfs/dbraw/zinc/14/91/47/1067149147.db2.gz JZMNKGDDQFZBKB-QHCPKHFHSA-N 1 0 484.689 4.763 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@]2(CCc3ccccc32)C1)[NH+](C)C ZINC001545817580 1067149955 /nfs/dbraw/zinc/14/99/55/1067149955.db2.gz LYALQMSHLWVIOP-RPLLCQBOSA-N 1 0 453.675 4.521 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@@]2(CCc3ccccc32)C1)[NH+](C)C ZINC001545817582 1067150397 /nfs/dbraw/zinc/15/03/97/1067150397.db2.gz LYALQMSHLWVIOP-SQHAQQRYSA-N 1 0 453.675 4.521 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC001545817596 1067150412 /nfs/dbraw/zinc/15/04/12/1067150412.db2.gz MBMOZKIHCJZFIW-SFTDATJTSA-N 1 0 471.694 4.878 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCSC2)C1)[NH+](C)C ZINC001545817617 1067150422 /nfs/dbraw/zinc/15/04/22/1067150422.db2.gz MPXACMHYTPBJBC-DHLKQENFSA-N 1 0 459.679 4.708 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@H](c2ccccc2)C1)[NH+]1CCOCC1 ZINC001545817675 1067151225 /nfs/dbraw/zinc/15/12/25/1067151225.db2.gz NZVWMNQPUKUKLB-LOSJGSFVSA-N 1 0 453.675 4.608 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545818001 1067151990 /nfs/dbraw/zinc/15/19/90/1067151990.db2.gz UDPBFXMMCAWGBG-DQEYMECFSA-N 1 0 497.087 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545819327 1067153802 /nfs/dbraw/zinc/15/38/02/1067153802.db2.gz CZTICPRXFBBPNO-MZKRTTBSSA-N 1 0 481.676 4.875 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N(C)[C@H]2CCc3ccccc32)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819353 1067154346 /nfs/dbraw/zinc/15/43/46/1067154346.db2.gz DNHGLBDZVBQJJG-BJKOFHAPSA-N 1 0 453.675 4.836 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1CCN(c2cc(C)ccc2C)CC1)[NH+](C)C ZINC001545819452 1067154747 /nfs/dbraw/zinc/15/47/47/1067154747.db2.gz GIESYXKKXQLODF-VWLOTQADSA-N 1 0 452.691 4.540 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(C)(c2nc(C)no2)CC1)[NH+](C)C ZINC001545819448 1067154807 /nfs/dbraw/zinc/15/48/07/1067154807.db2.gz GEXGYJPLMNYHOV-OAQYLSRUSA-N 1 0 485.702 4.546 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001546029632 1067155170 /nfs/dbraw/zinc/15/51/70/1067155170.db2.gz LMWGQZLOUWFLRC-SFTDATJTSA-N 1 0 457.638 4.726 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545819636 1067155472 /nfs/dbraw/zinc/15/54/72/1067155472.db2.gz JVHCRZLWHXVLPS-PMOQBDJRSA-N 1 0 490.737 4.727 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1)[NH+](C)C ZINC001545819865 1067156127 /nfs/dbraw/zinc/15/61/27/1067156127.db2.gz NRMWYMBXVYFYJV-DYESRHJHSA-N 1 0 466.095 4.815 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC001545819879 1067156146 /nfs/dbraw/zinc/15/61/46/1067156146.db2.gz NUHIONNYCWZKHK-DEOSSOPVSA-N 1 0 484.092 4.722 20 0 JJADRO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001451254695 1067156224 /nfs/dbraw/zinc/15/62/24/1067156224.db2.gz OGUPICGBQPOFOB-OFNKIYASSA-N 1 0 453.602 4.920 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCSC(C)(C)C1)[NH+](C)C ZINC001545819900 1067156552 /nfs/dbraw/zinc/15/65/52/1067156552.db2.gz OGVDTKJRVGRXQX-QHCPKHFHSA-N 1 0 468.715 4.979 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)[NH+](C)C ZINC001545820156 1067157104 /nfs/dbraw/zinc/15/71/04/1067157104.db2.gz RVGLXCKUMZLXNH-YUXAGFNASA-N 1 0 497.606 4.688 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCOC2(CCC2)C1)[NH+](C)C ZINC001545820127 1067157167 /nfs/dbraw/zinc/15/71/67/1067157167.db2.gz RJLFJMQQXCEJTA-HSZRJFAPSA-N 1 0 469.674 4.600 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001545820026 1067157173 /nfs/dbraw/zinc/15/71/73/1067157173.db2.gz QCFGXZBBCVXEOY-ZEVJAHDQSA-N 1 0 483.701 4.785 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001545820105 1067157178 /nfs/dbraw/zinc/15/71/78/1067157178.db2.gz RCFDVODYONVPCT-NFBKMPQASA-N 1 0 459.704 4.782 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001545820153 1067157190 /nfs/dbraw/zinc/15/71/90/1067157190.db2.gz RVGLXCKUMZLXNH-BVYCBKJFSA-N 1 0 497.606 4.688 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CCC[C@@H](c3noc(C4CC4)n3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820212 1067157894 /nfs/dbraw/zinc/15/78/94/1067157894.db2.gz SVDRWYQSNHYEDZ-WOJBJXKFSA-N 1 0 457.667 4.586 20 0 JJADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC[N@@H+]1CCCC1(C)C)c1cccc(Cl)c1Cl ZINC001451299724 1067157909 /nfs/dbraw/zinc/15/79/09/1067157909.db2.gz ITBRBSLGXYHZFF-SFHVURJKSA-N 1 0 458.430 4.892 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CCC[C@H](c3noc(C4CC4)n3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820211 1067158068 /nfs/dbraw/zinc/15/80/68/1067158068.db2.gz SVDRWYQSNHYEDZ-VQTJNVASSA-N 1 0 457.667 4.586 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545820275 1067158479 /nfs/dbraw/zinc/15/84/79/1067158479.db2.gz VCSTWNKIQPYSHJ-GBXCKJPGSA-N 1 0 466.674 4.651 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCOC[C@H](C2CCC2)C1)[NH+](C)C ZINC001545820443 1067159220 /nfs/dbraw/zinc/15/92/20/1067159220.db2.gz XMTJNTARLCZMDA-DHIUTWEWSA-N 1 0 459.704 4.550 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545820425 1067159295 /nfs/dbraw/zinc/15/92/95/1067159295.db2.gz XERLTWALTXLCJY-HFZDXXHNSA-N 1 0 483.701 4.847 20 0 JJADRO CCC(CC)[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(CCOC2)C1)[NH+](C)C ZINC001545820504 1067159726 /nfs/dbraw/zinc/15/97/26/1067159726.db2.gz YQSJXGUACHSGOO-JYFHCDHNSA-N 1 0 471.715 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)C[C@H]1CC)[NH+]1CCOCC1 ZINC001545820516 1067159913 /nfs/dbraw/zinc/15/99/13/1067159913.db2.gz YSMBDLSJNILVBG-PMOQBDJRSA-N 1 0 459.704 4.692 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(C1)CCC(F)(F)CC2)[NH+](C)C ZINC001545821772 1067162349 /nfs/dbraw/zinc/16/23/49/1067162349.db2.gz LQZYOXBVJPBIEI-BDTNDASRSA-N 1 0 497.675 4.774 20 0 JJADRO C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001458833554 1067162426 /nfs/dbraw/zinc/16/24/26/1067162426.db2.gz CDZPJLWENDIHNA-GEWZQDGLSA-N 1 0 458.046 4.504 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@H]1c1cccc(F)c1 ZINC001451392103 1067163740 /nfs/dbraw/zinc/16/37/40/1067163740.db2.gz OTKHDVYZRWIMIL-FCHUYYIVSA-N 1 0 466.557 4.563 20 0 JJADRO Cc1c(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)cnn1-c1ccccc1F ZINC001458836140 1067164203 /nfs/dbraw/zinc/16/42/03/1067164203.db2.gz MBRHBICARDTEHC-QHCPKHFHSA-N 1 0 456.512 4.944 20 0 JJADRO CC(C)([C@@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458839789 1067166134 /nfs/dbraw/zinc/16/61/34/1067166134.db2.gz UQSIDAREIZNYAZ-URXFXBBRSA-N 1 0 458.549 4.868 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001545825932 1067172252 /nfs/dbraw/zinc/17/22/52/1067172252.db2.gz AMXVSQNSTNCMQD-LJQANCHMSA-N 1 0 480.682 4.514 20 0 JJADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001451461024 1067173121 /nfs/dbraw/zinc/17/31/21/1067173121.db2.gz SNQIKZGIFFKQBG-XMMPIXPASA-N 1 0 456.489 4.673 20 0 JJADRO O=C(NCc1cccc(Br)c1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001451519126 1067175944 /nfs/dbraw/zinc/17/59/44/1067175944.db2.gz ALQLZLUHQPHWOF-MRXNPFEDSA-N 1 0 457.746 4.876 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001545829548 1067179838 /nfs/dbraw/zinc/17/98/38/1067179838.db2.gz AAXIOCTWLYERKY-OFVILXPXSA-N 1 0 480.701 4.688 20 0 JJADRO CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC001451650164 1067182264 /nfs/dbraw/zinc/18/22/64/1067182264.db2.gz WIHFAVLDJUAZOL-AYRHNUGRSA-N 1 0 477.649 4.658 20 0 JJADRO C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875663 1067182418 /nfs/dbraw/zinc/18/24/18/1067182418.db2.gz LFKGUBOUDLJVDR-SXSPYAJSSA-N 1 0 453.593 4.995 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)cs2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001545833893 1067184237 /nfs/dbraw/zinc/18/42/37/1067184237.db2.gz OPWXBQTUQDMBBY-UHFFFAOYSA-N 1 0 495.697 4.514 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(CC)C2CCCC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545843781 1067195698 /nfs/dbraw/zinc/19/56/98/1067195698.db2.gz ITMPZWKTJXRBTO-HSZRJFAPSA-N 1 0 458.695 4.763 20 0 JJADRO C[NH+](C)CCn1ncc(C(=O)NCC2(c3cccc(F)c3F)CCCC2)c1-c1ccccc1 ZINC001458916496 1067195847 /nfs/dbraw/zinc/19/58/47/1067195847.db2.gz DNHACYNMMYAHHT-UHFFFAOYSA-N 1 0 452.549 4.632 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546104759 1067198407 /nfs/dbraw/zinc/19/84/07/1067198407.db2.gz IHZPUQNRWRPJTE-QZTJIDSGSA-N 1 0 493.494 4.552 20 0 JJADRO CCc1nnc(N2CCC[C@@H]2c2ccc(OC)cc2OC)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001546510656 1067199276 /nfs/dbraw/zinc/19/92/76/1067199276.db2.gz KAFWTEHXBDBJLC-AWRGLXIESA-N 1 0 469.674 4.957 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001545848527 1067200109 /nfs/dbraw/zinc/20/01/09/1067200109.db2.gz CASVQVXISFREJK-JTOYRKQZSA-N 1 0 480.701 4.589 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001545849430 1067203084 /nfs/dbraw/zinc/20/30/84/1067203084.db2.gz OLDBDTHSDOWWAU-SFTDATJTSA-N 1 0 468.690 4.710 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001545849428 1067203185 /nfs/dbraw/zinc/20/31/85/1067203185.db2.gz OLDBDTHSDOWWAU-NHCUHLMSSA-N 1 0 468.690 4.710 20 0 JJADRO CCC(O)(CC)Cn1c(CC(C)(C)C)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001546035185 1067203571 /nfs/dbraw/zinc/20/35/71/1067203571.db2.gz MYTDFBWZKIZUAP-UHFFFAOYSA-N 1 0 455.691 4.766 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001545849484 1067203712 /nfs/dbraw/zinc/20/37/12/1067203712.db2.gz PEIMIEHFUQKROR-ZJSXRUAMSA-N 1 0 480.701 4.906 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@H+](C)CCOC)C1 ZINC001546105087 1067207530 /nfs/dbraw/zinc/20/75/30/1067207530.db2.gz UPBBPVQXRNEUEU-IBGZPJMESA-N 1 0 459.704 4.726 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001546105192 1067212005 /nfs/dbraw/zinc/21/20/05/1067212005.db2.gz XXTKOAAPMYCDBH-NRFANRHFSA-N 1 0 487.714 4.630 20 0 JJADRO C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)[C@H](c2ccccc2)C1 ZINC001452178686 1067212029 /nfs/dbraw/zinc/21/20/29/1067212029.db2.gz JYPOFMQUYSKIDC-SGNDLWITSA-N 1 0 457.659 4.559 20 0 JJADRO C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)[C@H](c2ccccc2)C1 ZINC001452177310 1067212181 /nfs/dbraw/zinc/21/21/81/1067212181.db2.gz POPYBFJTORCBOJ-NOZRDPDXSA-N 1 0 479.690 4.550 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001546105220 1067212496 /nfs/dbraw/zinc/21/24/96/1067212496.db2.gz ZDLOIHMMNINKFV-QFIPXVFZSA-N 1 0 487.092 4.558 20 0 JJADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001458976053 1067214749 /nfs/dbraw/zinc/21/47/49/1067214749.db2.gz WCNCXBVUSVHKGU-OAQYLSRUSA-N 1 0 458.480 4.986 20 0 JJADRO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001458975634 1067214899 /nfs/dbraw/zinc/21/48/99/1067214899.db2.gz TUKDRMPVRRSHEN-VWLOTQADSA-N 1 0 452.639 4.859 20 0 JJADRO O=C(CSc1cccc2cccc(Cl)c21)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001458977491 1067215829 /nfs/dbraw/zinc/21/58/29/1067215829.db2.gz YIYRRFFEMPLUPB-NRFANRHFSA-N 1 0 455.023 4.993 20 0 JJADRO CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001546038696 1067224829 /nfs/dbraw/zinc/22/48/29/1067224829.db2.gz WHAYKVYWUMSWHT-FQEVSTJZSA-N 1 0 488.746 4.666 20 0 JJADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2cc(Br)ccc2Cl)CC1 ZINC001459001735 1067226153 /nfs/dbraw/zinc/22/61/53/1067226153.db2.gz RCUXARFTKKKVGX-UHFFFAOYSA-N 1 0 451.792 4.524 20 0 JJADRO CCC(O)(CC)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001546039742 1067229980 /nfs/dbraw/zinc/22/99/80/1067229980.db2.gz JNZFDLLHIGYOPI-BJKOFHAPSA-N 1 0 483.701 4.807 20 0 JJADRO CCC(O)(CC)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001546039854 1067231208 /nfs/dbraw/zinc/23/12/08/1067231208.db2.gz NNULXIXVOMUFSU-VWLOTQADSA-N 1 0 497.728 4.973 20 0 JJADRO CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001452531763 1067232124 /nfs/dbraw/zinc/23/21/24/1067232124.db2.gz VSCVLSHQJZZWLE-HSZRJFAPSA-N 1 0 457.659 4.975 20 0 JJADRO CCC(C)(C)[NH+]1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 ZINC001452662726 1067242440 /nfs/dbraw/zinc/24/24/40/1067242440.db2.gz XVECGQCHQGBHDR-UHFFFAOYSA-N 1 0 459.516 4.628 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3cccc(Oc4nccs4)c3)cc2)C[C@H](C)O1 ZINC001452691839 1067244492 /nfs/dbraw/zinc/24/44/92/1067244492.db2.gz OLRDYZFBNDPAEZ-KDURUIRLSA-N 1 0 451.592 4.817 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)[NH+](C)C ZINC001459072384 1067244900 /nfs/dbraw/zinc/24/49/00/1067244900.db2.gz MSCCCUQEIGEGEG-TXQOIQMMSA-N 1 0 459.634 4.639 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(I)c(Cl)c1)[NH+](C)C ZINC001459077902 1067246935 /nfs/dbraw/zinc/24/69/35/1067246935.db2.gz UVSSPCCMLLSDLN-ACJLOTCBSA-N 1 0 456.755 4.674 20 0 JJADRO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001546043665 1067249498 /nfs/dbraw/zinc/24/94/98/1067249498.db2.gz ZUKJVXYZGJZBQU-MOUTVQLLSA-N 1 0 489.749 4.839 20 0 JJADRO Cc1sc2ncnc(SCC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)[C@@H]3C)c2c1C ZINC001452779556 1067251980 /nfs/dbraw/zinc/25/19/80/1067251980.db2.gz XVLKRQVGRMBYMJ-SZMVWBNQSA-N 1 0 454.665 4.910 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546044642 1067254192 /nfs/dbraw/zinc/25/41/92/1067254192.db2.gz DLHLPEMFIQNGFS-KIVTUJJHSA-N 1 0 476.065 4.950 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001546106256 1067261919 /nfs/dbraw/zinc/26/19/19/1067261919.db2.gz OTHKCPMSJYMIKD-UHFFFAOYSA-N 1 0 455.647 4.853 20 0 JJADRO CCOC(=O)c1nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)oc1C ZINC001459228081 1067273847 /nfs/dbraw/zinc/27/38/47/1067273847.db2.gz ODORQOCNONBKDO-LEWJYISDSA-N 1 0 467.953 4.667 20 0 JJADRO C[N@H+](Cc1ccc2nc(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)sc2c1)C1CC1 ZINC001453112967 1067279270 /nfs/dbraw/zinc/27/92/70/1067279270.db2.gz UWNLEDADMICFLA-DEOSSOPVSA-N 1 0 458.628 4.866 20 0 JJADRO CC[NH+]1CCN(c2cccc(NC(=O)CCc3cc(Cl)ccc3Br)c2)CC1 ZINC001459285261 1067282613 /nfs/dbraw/zinc/28/26/13/1067282613.db2.gz KTNQTHMYKBXERN-UHFFFAOYSA-N 1 0 450.808 4.816 20 0 JJADRO COc1cccc(C[NH+]2CCC(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001453139966 1067283273 /nfs/dbraw/zinc/28/32/73/1067283273.db2.gz DHOYOWFZTNUJRF-UHFFFAOYSA-N 1 0 459.468 4.763 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)OCc3ccc(Cl)cc3Br)cc2)CC1 ZINC001459297774 1067285439 /nfs/dbraw/zinc/28/54/39/1067285439.db2.gz HMTULAWINDPWLZ-UHFFFAOYSA-N 1 0 451.792 4.990 20 0 JJADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)O2 ZINC001459316668 1067292162 /nfs/dbraw/zinc/29/21/62/1067292162.db2.gz BKUWTBAYIPROHA-OALUTQOASA-N 1 0 451.405 4.755 20 0 JJADRO CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546048842 1067294536 /nfs/dbraw/zinc/29/45/36/1067294536.db2.gz QQNJMGWSPBAOER-JPYJTQIMSA-N 1 0 494.453 4.725 20 0 JJADRO CC(C)(C)c1cc(NC(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)n(-c2ccccc2)n1 ZINC001459345883 1067299480 /nfs/dbraw/zinc/29/94/80/1067299480.db2.gz UHQLZPFHXSSCHN-UHFFFAOYSA-N 1 0 451.659 4.696 20 0 JJADRO CN(C[C@H](O)C[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)CC(F)(F)F ZINC001459349093 1067300811 /nfs/dbraw/zinc/30/08/11/1067300811.db2.gz KUKCPHOGCORVJA-HNNXBMFYSA-N 1 0 450.423 4.785 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)cc2)C1 ZINC001453394987 1067303027 /nfs/dbraw/zinc/30/30/27/1067303027.db2.gz GBLDHGUMHTWALG-PKTZIBPZSA-N 1 0 457.615 4.731 20 0 JJADRO CC[N@H+](Cc1cccc(Br)c1)CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459370917 1067305354 /nfs/dbraw/zinc/30/53/54/1067305354.db2.gz OAFBANFYLJVCAK-QIDMFYOTSA-N 1 0 453.421 4.564 20 0 JJADRO CCC[N@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1Br ZINC001459383381 1067309005 /nfs/dbraw/zinc/30/90/05/1067309005.db2.gz RVYCILCCKKNMFB-UHFFFAOYSA-N 1 0 458.400 4.582 20 0 JJADRO CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)O1 ZINC001546052162 1067310315 /nfs/dbraw/zinc/31/03/15/1067310315.db2.gz SJKPBMPGJBZPNX-FNZWTVRRSA-N 1 0 455.647 4.612 20 0 JJADRO CC[C@@]1(C)CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)O1 ZINC001546052164 1067310725 /nfs/dbraw/zinc/31/07/25/1067310725.db2.gz SJKPBMPGJBZPNX-IBVKSMDESA-N 1 0 455.647 4.612 20 0 JJADRO C[C@@H]1CCC[C@H]([N@H+](CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001459392868 1067312210 /nfs/dbraw/zinc/31/22/10/1067312210.db2.gz LVPATRCIGNGRIF-PWHSHALESA-N 1 0 459.608 4.525 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001459394395 1067312748 /nfs/dbraw/zinc/31/27/48/1067312748.db2.gz DEFLJWMTDWVQQO-DQEYMECFSA-N 1 0 456.602 4.577 20 0 JJADRO Cc1c(NC(=O)Cc2csc(SCC[NH+](C)C)n2)cccc1NC(=O)OC(C)(C)C ZINC001453547219 1067313355 /nfs/dbraw/zinc/31/33/55/1067313355.db2.gz XSDURAKUGHVFNN-UHFFFAOYSA-N 1 0 450.630 4.633 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001546108741 1067320476 /nfs/dbraw/zinc/32/04/76/1067320476.db2.gz KDVIMOZMYKBHGZ-UHFFFAOYSA-N 1 0 471.665 4.914 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC001459428570 1067323603 /nfs/dbraw/zinc/32/36/03/1067323603.db2.gz QKJGHSNSROHDLJ-UHFFFAOYSA-N 1 0 452.599 4.732 20 0 JJADRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001459431889 1067324269 /nfs/dbraw/zinc/32/42/69/1067324269.db2.gz HQFNVFDNMPLGBI-JOCHJYFZSA-N 1 0 453.384 4.509 20 0 JJADRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001459439675 1067325544 /nfs/dbraw/zinc/32/55/44/1067325544.db2.gz IIIUTQFPLDDHHE-MBSDFSHPSA-N 1 0 450.501 4.862 20 0 JJADRO O=C(CC[NH+]1CCC(n2cc(Br)cn2)CC1)Nc1ccccc1-c1ccccc1 ZINC001459456025 1067328018 /nfs/dbraw/zinc/32/80/18/1067328018.db2.gz SSCPPECAPPJCOX-UHFFFAOYSA-N 1 0 453.384 4.978 20 0 JJADRO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001459460746 1067329431 /nfs/dbraw/zinc/32/94/31/1067329431.db2.gz ZTXXCHOAGIKUIS-UHFFFAOYSA-N 1 0 456.493 4.682 20 0 JJADRO CCS[C@@H]1CCCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001459461399 1067329820 /nfs/dbraw/zinc/32/98/20/1067329820.db2.gz DDUVHAHMTLFVDB-NOZRDPDXSA-N 1 0 451.636 4.981 20 0 JJADRO CCS[C@H]1CCCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001459461451 1067329904 /nfs/dbraw/zinc/32/99/04/1067329904.db2.gz DDUVHAHMTLFVDB-ZCYQVOJMSA-N 1 0 451.636 4.981 20 0 JJADRO O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001453892567 1067334409 /nfs/dbraw/zinc/33/44/09/1067334409.db2.gz RJCLMSRDGIZJLG-OPYAIIAOSA-N 1 0 476.429 4.515 20 0 JJADRO C[C@@H]1C[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001459489203 1067337181 /nfs/dbraw/zinc/33/71/81/1067337181.db2.gz OTEIUNMTSRLEGU-PWHSHALESA-N 1 0 457.640 4.674 20 0 JJADRO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC001459498171 1067339053 /nfs/dbraw/zinc/33/90/53/1067339053.db2.gz VFGFHRYXGNOPLX-NRFANRHFSA-N 1 0 451.945 4.724 20 0 JJADRO CNS(=O)(=O)c1ccc(C[N@H+](C)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)cc1 ZINC001459496209 1067339083 /nfs/dbraw/zinc/33/90/83/1067339083.db2.gz ZMTVHRLEYWPVLA-UHFFFAOYSA-N 1 0 452.620 4.731 20 0 JJADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc(F)ccc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001459508431 1067340938 /nfs/dbraw/zinc/34/09/38/1067340938.db2.gz BDNUZTDKUIYKTP-XZOQPEGZSA-N 1 0 455.574 4.974 20 0 JJADRO C[N@H+](CCN1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1)Cc1ccccc1 ZINC001459526198 1067344808 /nfs/dbraw/zinc/34/48/08/1067344808.db2.gz XVRQQECLKLELCU-OAQYLSRUSA-N 1 0 455.400 4.692 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561072 1067351680 /nfs/dbraw/zinc/35/16/80/1067351680.db2.gz CEYSZFLXEUSPCS-GGAORHGYSA-N 1 0 456.428 4.507 20 0 JJADRO COc1ccc2c(c1)[C@H]([N@@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1)CCO2 ZINC001459566559 1067353528 /nfs/dbraw/zinc/35/35/28/1067353528.db2.gz AYOBKBHWWHKRFZ-MOPGFXCFSA-N 1 0 459.340 4.505 20 0 JJADRO CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC001459571206 1067354754 /nfs/dbraw/zinc/35/47/54/1067354754.db2.gz JDQSAWIBYNREHK-ZJGIAAPESA-N 1 0 462.634 4.514 20 0 JJADRO C[N@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC001459580521 1067356465 /nfs/dbraw/zinc/35/64/65/1067356465.db2.gz DMBJAIZLIJIKAV-WBVHZDCISA-N 1 0 457.434 4.554 20 0 JJADRO COc1ccccc1-c1nc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cs1 ZINC001459595271 1067359797 /nfs/dbraw/zinc/35/97/97/1067359797.db2.gz RPXVWRPYIUCULR-UHFFFAOYSA-N 1 0 450.608 4.849 20 0 JJADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cc1 ZINC001459596812 1067360237 /nfs/dbraw/zinc/36/02/37/1067360237.db2.gz WOECQADJKUPKMT-SFHVURJKSA-N 1 0 454.640 4.542 20 0 JJADRO COc1cc(CNC(=O)C[N@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)cc(OC)c1OC ZINC001459601682 1067360567 /nfs/dbraw/zinc/36/05/67/1067360567.db2.gz XVBNGHVYHYPORS-PKTZIBPZSA-N 1 0 458.643 4.932 20 0 JJADRO CCOC(=O)c1c(NC(=O)C[N@H+](C)C[C@@H]2CCCOC2)sc(Cl)c1-c1ccccc1 ZINC001459602911 1067360597 /nfs/dbraw/zinc/36/05/97/1067360597.db2.gz VNXGTAXKSWSFJQ-HNNXBMFYSA-N 1 0 450.988 4.542 20 0 JJADRO Cc1cc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611894 1067363489 /nfs/dbraw/zinc/36/34/89/1067363489.db2.gz YTSTVFXNNKGQGR-RTWAWAEBSA-N 1 0 456.587 4.688 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001459623516 1067366646 /nfs/dbraw/zinc/36/66/46/1067366646.db2.gz LSUHGYAARRSGMZ-VBOOUTDYSA-N 1 0 452.639 4.828 20 0 JJADRO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@@H]1c1ccccc1 ZINC001459624078 1067366805 /nfs/dbraw/zinc/36/68/05/1067366805.db2.gz CKWBHBDGVZOWRB-QKLQHJQFSA-N 1 0 459.512 4.895 20 0 JJADRO CC[C@@H]1C[N@H+](Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC[C@H]1c1ccccc1 ZINC001459627874 1067367791 /nfs/dbraw/zinc/36/77/91/1067367791.db2.gz PPVUYANZXZJFEY-DENIHFKCSA-N 1 0 454.640 4.609 20 0 JJADRO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1 ZINC001459628492 1067368373 /nfs/dbraw/zinc/36/83/73/1067368373.db2.gz GSWQTQJRMARAIA-UNMCSNQZSA-N 1 0 457.574 4.839 20 0 JJADRO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1 ZINC001459628487 1067368523 /nfs/dbraw/zinc/36/85/23/1067368523.db2.gz GSWQTQJRMARAIA-RBBKRZOGSA-N 1 0 457.574 4.839 20 0 JJADRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C2)cc1 ZINC001459661120 1067374599 /nfs/dbraw/zinc/37/45/99/1067374599.db2.gz DFOZFMGUISEQAM-HXUWFJFHSA-N 1 0 458.002 4.886 20 0 JJADRO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459664542 1067375798 /nfs/dbraw/zinc/37/57/98/1067375798.db2.gz AFQIBKRKXCLXPN-OYDLWJJNSA-N 1 0 454.611 4.639 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001459667374 1067377024 /nfs/dbraw/zinc/37/70/24/1067377024.db2.gz INDNSEZJWFFBSA-YLJYHZDGSA-N 1 0 457.640 4.501 20 0 JJADRO C[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459668598 1067377995 /nfs/dbraw/zinc/37/79/95/1067377995.db2.gz LMHNHUNRUGSEMH-AVRDEDQJSA-N 1 0 459.575 4.555 20 0 JJADRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1)c1cccc2ccccc21 ZINC001459675956 1067380919 /nfs/dbraw/zinc/38/09/19/1067380919.db2.gz FRYZFMPNVZDIJJ-PMACEKPBSA-N 1 0 450.627 4.502 20 0 JJADRO O=C(NC[C@@H]1CCCC[N@H+]1CCOc1cc(F)cc(Br)c1)Nc1ccccc1 ZINC001459695117 1067386460 /nfs/dbraw/zinc/38/64/60/1067386460.db2.gz RWPMJXLHRNFERM-IBGZPJMESA-N 1 0 450.352 4.643 20 0 JJADRO O=C(NC[C@H]1CCCC[N@H+]1CCOc1cc(F)cc(Br)c1)Nc1ccccc1 ZINC001459695118 1067386621 /nfs/dbraw/zinc/38/66/21/1067386621.db2.gz RWPMJXLHRNFERM-LJQANCHMSA-N 1 0 450.352 4.643 20 0 JJADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC001459705977 1067389180 /nfs/dbraw/zinc/38/91/80/1067389180.db2.gz GOVPVTXJBIUNIR-INIZCTEOSA-N 1 0 456.425 4.630 20 0 JJADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001459706649 1067389221 /nfs/dbraw/zinc/38/92/21/1067389221.db2.gz MGGOWIBVXNEBFN-VWLOTQADSA-N 1 0 454.977 4.674 20 0 JJADRO Cc1cc(NC(=O)C[NH2+]C(C)(C)Cc2ccc(Br)cc2)n(-c2ccccc2F)n1 ZINC001459706185 1067389456 /nfs/dbraw/zinc/38/94/56/1067389456.db2.gz INDRSOVMCBGNBA-UHFFFAOYSA-N 1 0 459.363 4.632 20 0 JJADRO Cc1cccc(C[N@H+](Cc2ccccn2)C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)c1 ZINC001459707478 1067389580 /nfs/dbraw/zinc/38/95/80/1067389580.db2.gz ORXWJJFZXUTRRR-MUUNZHRXSA-N 1 0 459.590 4.556 20 0 JJADRO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706985 1067389859 /nfs/dbraw/zinc/38/98/59/1067389859.db2.gz HHLXEWQSFHTJOW-KOSHJBKYSA-N 1 0 452.549 4.592 20 0 JJADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001459707948 1067390505 /nfs/dbraw/zinc/39/05/05/1067390505.db2.gz DCMQGBFCPSGHDD-HNNXBMFYSA-N 1 0 454.514 4.639 20 0 JJADRO Cc1ccc(Oc2ccc(OCC(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)cc2)cc1 ZINC001546111339 1067391972 /nfs/dbraw/zinc/39/19/72/1067391972.db2.gz FTJJDVRMKMFILO-UHFFFAOYSA-N 1 0 452.595 4.517 20 0 JJADRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1)NCc1ccccc1CN1CCCC1=O ZINC001459713343 1067392359 /nfs/dbraw/zinc/39/23/59/1067392359.db2.gz IUUBSLIYELPOKW-UHFFFAOYSA-N 1 0 454.014 4.528 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@H](C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714282 1067392699 /nfs/dbraw/zinc/39/26/99/1067392699.db2.gz ADDMAIKLBZJECC-TZIWHRDSSA-N 1 0 455.599 4.664 20 0 JJADRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001459714860 1067393297 /nfs/dbraw/zinc/39/32/97/1067393297.db2.gz HJSVHJIXQOPPSX-OAQYLSRUSA-N 1 0 450.501 4.972 20 0 JJADRO CC[C@H](NC(=O)C[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC001459714796 1067393317 /nfs/dbraw/zinc/39/33/17/1067393317.db2.gz BXMDBSNIZIBOPX-YQOVMPOYSA-N 1 0 452.039 4.971 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716645 1067393761 /nfs/dbraw/zinc/39/37/61/1067393761.db2.gz UNRZQXLMZBHWBJ-QAPCUYQASA-N 1 0 458.484 4.553 20 0 JJADRO CN(CCCOc1ccc(F)cc1)C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001459716512 1067394179 /nfs/dbraw/zinc/39/41/79/1067394179.db2.gz MAUJKPIVOOZEIS-UHFFFAOYSA-N 1 0 459.949 4.727 20 0 JJADRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC001459717746 1067394930 /nfs/dbraw/zinc/39/49/30/1067394930.db2.gz PXKUGRJKTXZHFY-QPPBQGQZSA-N 1 0 452.620 4.939 20 0 JJADRO CCOC(=O)Nc1ccc2c(C[NH2+]C3(c4ccc(Cl)cc4)CCOCC3)cc(=O)oc2c1 ZINC001459734172 1067398937 /nfs/dbraw/zinc/39/89/37/1067398937.db2.gz LJAWCCLBWADCOI-UHFFFAOYSA-N 1 0 456.926 4.810 20 0 JJADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)n1 ZINC001459744960 1067403443 /nfs/dbraw/zinc/40/34/43/1067403443.db2.gz YJIPXLKALSIBOB-GEIYVISESA-N 1 0 456.631 4.609 20 0 JJADRO CC(C)OCc1ccccc1CNC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001459753829 1067407293 /nfs/dbraw/zinc/40/72/93/1067407293.db2.gz OCMPMHZVTVHKJV-UHFFFAOYSA-N 1 0 452.595 4.791 20 0 JJADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(OC)ncc2Br)[C@H]2CCCC[C@@H]12 ZINC001459758291 1067409921 /nfs/dbraw/zinc/40/99/21/1067409921.db2.gz YBXVDAKBOUOTCS-FVMPEHLCSA-N 1 0 452.437 4.537 20 0 JJADRO CN(CCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459772629 1067416105 /nfs/dbraw/zinc/41/61/05/1067416105.db2.gz DTTUOJPICLANMW-HXUWFJFHSA-N 1 0 453.986 4.553 20 0 JJADRO CCc1c(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cnn1-c1cccc(Cl)c1 ZINC001459790799 1067423996 /nfs/dbraw/zinc/42/39/96/1067423996.db2.gz JSIUMNAGZIVBTH-UHFFFAOYSA-N 1 0 452.002 4.871 20 0 JJADRO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c1 ZINC001459795018 1067427088 /nfs/dbraw/zinc/42/70/88/1067427088.db2.gz FFNJFOJRKRWEFQ-HOFKKMOUSA-N 1 0 451.994 4.724 20 0 JJADRO CCC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459800613 1067429743 /nfs/dbraw/zinc/42/97/43/1067429743.db2.gz NZUPLFGOYAWEOK-HXUWFJFHSA-N 1 0 456.030 4.876 20 0 JJADRO CC(C)([C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccc(F)c(F)c1)N1CCCC1 ZINC001459812882 1067434384 /nfs/dbraw/zinc/43/43/84/1067434384.db2.gz HKBUULJYWMRURJ-NHCUHLMSSA-N 1 0 453.371 4.966 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001546112099 1067439201 /nfs/dbraw/zinc/43/92/01/1067439201.db2.gz CTFBMJIOCKULFU-VWLOTQADSA-N 1 0 457.688 4.619 20 0 JJADRO CC(C)[C@H]([NH2+]C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)c1cccc(C(F)(F)F)c1 ZINC001459827595 1067441773 /nfs/dbraw/zinc/44/17/73/1067441773.db2.gz PCTJXOXTOKLLDR-MSOLQXFVSA-N 1 0 456.505 4.545 20 0 JJADRO CC(C)(C)C[C@H]([NH2+]CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC001459830003 1067443327 /nfs/dbraw/zinc/44/33/27/1067443327.db2.gz HRCXQTJPKASBEL-QHCPKHFHSA-N 1 0 457.640 4.567 20 0 JJADRO Cc1ccccc1C(=O)NC1CCN(C(=O)C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001459830931 1067443650 /nfs/dbraw/zinc/44/36/50/1067443650.db2.gz NEVKMJCNJKRYIJ-XMMPIXPASA-N 1 0 453.602 4.622 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)[C@@H](O)c2ccccc21 ZINC001459835240 1067445858 /nfs/dbraw/zinc/44/58/58/1067445858.db2.gz LCHULOQLVJESPS-GOUWZUTHSA-N 1 0 456.558 4.571 20 0 JJADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 ZINC001459843961 1067450562 /nfs/dbraw/zinc/45/05/62/1067450562.db2.gz YVADTEZDBSFYFJ-KKSFZXQISA-N 1 0 458.400 4.871 20 0 JJADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC001459845109 1067451192 /nfs/dbraw/zinc/45/11/92/1067451192.db2.gz QPXYPBNPOLLEGH-QHCPKHFHSA-N 1 0 459.030 4.890 20 0 JJADRO O=C(CC[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC001459845859 1067451505 /nfs/dbraw/zinc/45/15/05/1067451505.db2.gz CRXBOHJGCISOHV-IBGZPJMESA-N 1 0 453.892 4.641 20 0 JJADRO COc1cc([C@@H](C)[NH2+]CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC001459847260 1067452482 /nfs/dbraw/zinc/45/24/82/1067452482.db2.gz NGPNXBYTWOCGEQ-HXUWFJFHSA-N 1 0 454.611 4.543 20 0 JJADRO COc1cc([C@H](C)[NH2+]CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC001459847258 1067452534 /nfs/dbraw/zinc/45/25/34/1067452534.db2.gz NGPNXBYTWOCGEQ-FQEVSTJZSA-N 1 0 454.611 4.543 20 0 JJADRO CC[C@H](C)[C@@H]([NH2+]Cc1ccnc(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459847748 1067453119 /nfs/dbraw/zinc/45/31/19/1067453119.db2.gz BNPQWUCIRRBRLX-FDDCHVKYSA-N 1 0 458.444 4.830 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(-n2cccn2)cc1 ZINC001459848184 1067453672 /nfs/dbraw/zinc/45/36/72/1067453672.db2.gz GKJYVAYXLMSTGP-MSOLQXFVSA-N 1 0 459.575 4.864 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001546112264 1067456266 /nfs/dbraw/zinc/45/62/66/1067456266.db2.gz KIERMFJIKSQRDK-VWLOTQADSA-N 1 0 457.688 4.619 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH2+][C@H](COc3ccccc3)c3ccccc3)C2)C1 ZINC001459851740 1067456715 /nfs/dbraw/zinc/45/67/15/1067456715.db2.gz SCFPCMLJQCBDRK-CLCZQPDDSA-N 1 0 452.595 4.812 20 0 JJADRO Cc1oc(NC(=O)C[NH2+][C@H](CC(C)C)c2cccc(C(F)(F)F)c2)c2c1c(C)n[nH]c2=O ZINC001459852034 1067457113 /nfs/dbraw/zinc/45/71/13/1067457113.db2.gz AATASNVCMHZLDE-MRXNPFEDSA-N 1 0 450.461 4.880 20 0 JJADRO CC(C)C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001459852101 1067457156 /nfs/dbraw/zinc/45/71/56/1067457156.db2.gz ALPRDJZWFBQCSZ-JOCHJYFZSA-N 1 0 451.508 4.870 20 0 JJADRO CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccccc1OC(F)F ZINC001459854235 1067458639 /nfs/dbraw/zinc/45/86/39/1067458639.db2.gz RSQXFZWIMMAPGL-HNNXBMFYSA-N 1 0 452.523 4.694 20 0 JJADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccncc1 ZINC001459855329 1067458734 /nfs/dbraw/zinc/45/87/34/1067458734.db2.gz VDKJWEBYVCWTJB-CTNGQTDRSA-N 1 0 455.599 4.967 20 0 JJADRO CO[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccc(Br)s1 ZINC001459857157 1067459945 /nfs/dbraw/zinc/45/99/45/1067459945.db2.gz PPVYHNSFBQKDBI-FQEVSTJZSA-N 1 0 451.430 4.746 20 0 JJADRO Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864756 1067463586 /nfs/dbraw/zinc/46/35/86/1067463586.db2.gz USPGISHZTMQUMX-JKSUJKDBSA-N 1 0 458.384 4.643 20 0 JJADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC001459866297 1067464028 /nfs/dbraw/zinc/46/40/28/1067464028.db2.gz XXLCLFIPKKESDL-NRFANRHFSA-N 1 0 456.530 4.815 20 0 JJADRO OC1(Cc2ccc(OC(F)(F)F)cc2)CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC001459866201 1067464093 /nfs/dbraw/zinc/46/40/93/1067464093.db2.gz QAQYJICBFFYUCT-UHFFFAOYSA-N 1 0 450.432 4.949 20 0 JJADRO CCC[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccccc1 ZINC001459868021 1067465376 /nfs/dbraw/zinc/46/53/76/1067465376.db2.gz ZQMCBOWSGYNBAE-DEOSSOPVSA-N 1 0 457.640 4.709 20 0 JJADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC(c2ccccn2)CC1 ZINC001459877202 1067469757 /nfs/dbraw/zinc/46/97/57/1067469757.db2.gz RZLXMKUJAPJSOP-OAQYLSRUSA-N 1 0 456.590 4.733 20 0 JJADRO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1 ZINC001459887860 1067473649 /nfs/dbraw/zinc/47/36/49/1067473649.db2.gz CPHVRBZYMUBOTH-HXUWFJFHSA-N 1 0 457.640 4.546 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001546112553 1067476750 /nfs/dbraw/zinc/47/67/50/1067476750.db2.gz WASUOXFHAKVZNX-UHFFFAOYSA-N 1 0 490.092 4.762 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546112589 1067480870 /nfs/dbraw/zinc/48/08/70/1067480870.db2.gz XFVQGKDFZNCSFM-OYRHEFFESA-N 1 0 473.637 4.512 20 0 JJADRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1 ZINC001459905523 1067482617 /nfs/dbraw/zinc/48/26/17/1067482617.db2.gz RBJTXEFYVNJLSA-ZFWWWQNUSA-N 1 0 456.999 4.809 20 0 JJADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001459906653 1067483644 /nfs/dbraw/zinc/48/36/44/1067483644.db2.gz VWKVYQCVSFKDLE-YCRPNKLZSA-N 1 0 457.546 4.647 20 0 JJADRO COc1ccccc1O[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001459912037 1067486911 /nfs/dbraw/zinc/48/69/11/1067486911.db2.gz QXMLLBSJYASHSF-DSNGMDLFSA-N 1 0 450.623 4.859 20 0 JJADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cs2)c1 ZINC001459922385 1067492787 /nfs/dbraw/zinc/49/27/87/1067492787.db2.gz DXYKZSADEJPZTG-APWZRJJASA-N 1 0 459.612 4.722 20 0 JJADRO O=C1NCCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H]1c1ccccc1C(F)(F)F ZINC001459923803 1067493262 /nfs/dbraw/zinc/49/32/62/1067493262.db2.gz NBLRGAUCBBYPDS-DEOSSOPVSA-N 1 0 459.556 4.523 20 0 JJADRO O=C1NCCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H]1c1ccccc1C(F)(F)F ZINC001459923810 1067493318 /nfs/dbraw/zinc/49/33/18/1067493318.db2.gz NBLRGAUCBBYPDS-XMMPIXPASA-N 1 0 459.556 4.523 20 0 JJADRO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC001459925248 1067494317 /nfs/dbraw/zinc/49/43/17/1067494317.db2.gz REEKDLYWNOYFAZ-ZWKOTPCHSA-N 1 0 450.988 4.731 20 0 JJADRO O=C(CC[N@@H+](CCO)Cc1cc(Br)cs1)Nc1cc(Cl)ccc1Cl ZINC001459931338 1067496518 /nfs/dbraw/zinc/49/65/18/1067496518.db2.gz MWQKAVJZWHBHFN-UHFFFAOYSA-N 1 0 452.201 4.641 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2csc(Cc3ccccc3F)n2)c1 ZINC001459936962 1067499218 /nfs/dbraw/zinc/49/92/18/1067499218.db2.gz SAYHPXUHCKTQKC-UHFFFAOYSA-N 1 0 455.555 4.624 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947888 1067503076 /nfs/dbraw/zinc/50/30/76/1067503076.db2.gz YOHPBGPOBGOQGU-URXFXBBRSA-N 1 0 456.030 4.899 20 0 JJADRO CC(C)[C@@](C)([NH2+]CC(=O)N[C@H](C)Cc1c(F)cccc1F)c1ccc(Br)cc1 ZINC001459949274 1067503884 /nfs/dbraw/zinc/50/38/84/1067503884.db2.gz KPNDQVIWWXXYLI-IVZQSRNASA-N 1 0 453.371 4.936 20 0 JJADRO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc1 ZINC001459957987 1067507225 /nfs/dbraw/zinc/50/72/25/1067507225.db2.gz KBALPFXBUPGNSA-FQEVSTJZSA-N 1 0 450.604 4.603 20 0 JJADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC001459958926 1067507461 /nfs/dbraw/zinc/50/74/61/1067507461.db2.gz CXPVVNDTSJAXAS-JTHBVZDNSA-N 1 0 455.624 4.930 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001459961878 1067508896 /nfs/dbraw/zinc/50/88/96/1067508896.db2.gz JACOQZIEPFMHSB-RSXGOPAZSA-N 1 0 455.602 4.865 20 0 JJADRO CCOc1ccc(C(C)(C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OCC ZINC001459964856 1067509547 /nfs/dbraw/zinc/50/95/47/1067509547.db2.gz UBBQCYQGIRMQCF-UHFFFAOYSA-N 1 0 454.611 4.551 20 0 JJADRO Cc1cc(NC(=O)C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)n(C(C)(C)C)n1 ZINC001459993631 1067518828 /nfs/dbraw/zinc/51/88/28/1067518828.db2.gz RACHFKOYNWAYAR-SFHVURJKSA-N 1 0 451.384 4.918 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC001459996467 1067520000 /nfs/dbraw/zinc/52/00/00/1067520000.db2.gz RRDCTSVZWQEJQD-GMAHTHKFSA-N 1 0 457.659 4.678 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1noc(Cc2ccc(Br)cc2)n1 ZINC001459999270 1067521075 /nfs/dbraw/zinc/52/10/75/1067521075.db2.gz UMEYLEXBWZHZET-NRFANRHFSA-N 1 0 457.416 4.669 20 0 JJADRO C[C@@H]([NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC001459999651 1067521462 /nfs/dbraw/zinc/52/14/62/1067521462.db2.gz SQENNBWDQPEOEN-PEBXRYMYSA-N 1 0 458.375 4.858 20 0 JJADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(Br)c1OC ZINC001460020041 1067530627 /nfs/dbraw/zinc/53/06/27/1067530627.db2.gz IUNVLKWPPIJRJZ-MRXNPFEDSA-N 1 0 457.409 4.592 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)C1 ZINC001460030512 1067534136 /nfs/dbraw/zinc/53/41/36/1067534136.db2.gz PMMJSSTVMMTHTR-QFIPXVFZSA-N 1 0 459.631 4.662 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)C1 ZINC001460031455 1067534431 /nfs/dbraw/zinc/53/44/31/1067534431.db2.gz UJLAHYYJTNYIFJ-FUHWJXTLSA-N 1 0 458.521 4.874 20 0 JJADRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC001460031229 1067534506 /nfs/dbraw/zinc/53/45/06/1067534506.db2.gz YOWNHLUXZVHYIS-MAUKXSAKSA-N 1 0 450.270 4.920 20 0 JJADRO O=C(C[N@H+]1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1)NCCCN1CCCCCC1=O ZINC001460052139 1067539720 /nfs/dbraw/zinc/53/97/20/1067539720.db2.gz KQDRNBFQXAFIJA-NRFANRHFSA-N 1 0 453.549 4.531 20 0 JJADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC001460052925 1067539791 /nfs/dbraw/zinc/53/97/91/1067539791.db2.gz CWVTYLGFHRMIEC-QFIPXVFZSA-N 1 0 459.590 4.782 20 0 JJADRO C[N@H+](CCN1CCC(c2nc(-c3ccccc3Br)no2)CC1)Cc1ccccc1 ZINC001460056964 1067541073 /nfs/dbraw/zinc/54/10/73/1067541073.db2.gz VHSLPNQXEYCJHK-UHFFFAOYSA-N 1 0 455.400 4.811 20 0 JJADRO C[C@H]([NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001460063333 1067543252 /nfs/dbraw/zinc/54/32/52/1067543252.db2.gz TWMJGWYYVASQFQ-WDDJOWQOSA-N 1 0 457.659 4.755 20 0 JJADRO C[C@H](NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC001460063467 1067543375 /nfs/dbraw/zinc/54/33/75/1067543375.db2.gz HTHGVOXOYYDOQR-INIZCTEOSA-N 1 0 454.464 4.583 20 0 JJADRO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2ccc(I)c(Cl)c2)C1 ZINC001460066950 1067544585 /nfs/dbraw/zinc/54/45/85/1067544585.db2.gz VKNZZBRKZDPJJU-LSDHHAIUSA-N 1 0 459.780 4.945 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001460067509 1067544807 /nfs/dbraw/zinc/54/48/07/1067544807.db2.gz DVLICJSLAIXHPE-GOSISDBHSA-N 1 0 454.409 4.547 20 0 JJADRO C[C@H]([NH2+]C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(Oc2cccnc2)cc1 ZINC001460072448 1067545982 /nfs/dbraw/zinc/54/59/82/1067545982.db2.gz VWBDPPJFBVFWRW-RQADYFSKSA-N 1 0 453.583 4.941 20 0 JJADRO CCN(C(=O)C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@@H](C)c1ccc(F)cc1 ZINC001460073967 1067546317 /nfs/dbraw/zinc/54/63/17/1067546317.db2.gz VXBKLALPXRXTBP-SBUREZEXSA-N 1 0 452.492 4.745 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)Nc3ccc(Br)cc3)C2)s1 ZINC001460076320 1067547665 /nfs/dbraw/zinc/54/76/65/1067547665.db2.gz SRQNSXXZXUAPDO-IRXDYDNUSA-N 1 0 450.446 4.600 20 0 JJADRO CCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@H](C)[C@@H](Cc3ccccc3)C(=O)OC)ccc21 ZINC001460093387 1067552576 /nfs/dbraw/zinc/55/25/76/1067552576.db2.gz KLJZXSDMTLSDQR-AUSIDOKSSA-N 1 0 457.574 4.763 20 0 JJADRO CCCc1nc(C)c(C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)s1 ZINC001460095421 1067553546 /nfs/dbraw/zinc/55/35/46/1067553546.db2.gz VBFHWSALDIUVIN-ZDUSSCGKSA-N 1 0 451.434 4.559 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001460103185 1067555469 /nfs/dbraw/zinc/55/54/69/1067555469.db2.gz CHXRKWDDNZFQJN-NRFANRHFSA-N 1 0 451.696 4.625 20 0 JJADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(-c2cc(C)ccc2C)nn1-c1ccccc1 ZINC001460104166 1067555806 /nfs/dbraw/zinc/55/58/06/1067555806.db2.gz DJUJEBBOUUJMQA-VWNXMTODSA-N 1 0 474.605 4.806 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001460105803 1067556232 /nfs/dbraw/zinc/55/62/32/1067556232.db2.gz MLNWUUGTVWQIRC-HMXCVIKNSA-N 1 0 465.679 4.847 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110508 1067557010 /nfs/dbraw/zinc/55/70/10/1067557010.db2.gz PKKGVOUUVRHCSJ-DLBZAZTESA-N 1 0 455.521 4.613 20 0 JJADRO Cc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)ccc1Br ZINC001460116787 1067558669 /nfs/dbraw/zinc/55/86/69/1067558669.db2.gz XGRTXHWSSQSWAU-UXHICEINSA-N 1 0 453.421 4.652 20 0 JJADRO COc1cccc(SCC[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)c1 ZINC001460135380 1067562047 /nfs/dbraw/zinc/56/20/47/1067562047.db2.gz NGBFVMOPMVZIRM-KRWDZBQOSA-N 1 0 453.389 4.957 20 0 JJADRO Fc1ccc(CC2([NH2+]Cc3nc4cc(Br)ccc4[nH]3)CCOCC2)c(Cl)c1 ZINC001460137274 1067562491 /nfs/dbraw/zinc/56/24/91/1067562491.db2.gz LVEUKFQPFYKEOA-UHFFFAOYSA-N 1 0 452.755 4.999 20 0 JJADRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)N(Cc1ccccc1)c1nc2c(ccc(C)c2C)s1 ZINC001460136374 1067562505 /nfs/dbraw/zinc/56/25/05/1067562505.db2.gz AMOUZXWZTFHEQJ-JOCHJYFZSA-N 1 0 450.652 4.862 20 0 JJADRO O[C@H](COc1ccccc1C(F)(F)F)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460139436 1067563187 /nfs/dbraw/zinc/56/31/87/1067563187.db2.gz HZWCGJMSSXTOOT-ZDUSSCGKSA-N 1 0 454.436 4.800 20 0 JJADRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001460140077 1067563224 /nfs/dbraw/zinc/56/32/24/1067563224.db2.gz ZFXKKOHTRVGURN-SFHVURJKSA-N 1 0 459.993 4.788 20 0 JJADRO Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCCC[C@@H]3Cc3ccccc3Br)c2cc1C ZINC001460158109 1067567316 /nfs/dbraw/zinc/56/73/16/1067567316.db2.gz AWAFFBRWNIRJCZ-RTWAWAEBSA-N 1 0 456.428 4.874 20 0 JJADRO CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460160992 1067567724 /nfs/dbraw/zinc/56/77/24/1067567724.db2.gz ZDLJMYSTVVODTO-RTWAWAEBSA-N 1 0 459.631 4.773 20 0 JJADRO CCc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3C(=O)NCc3ccc(C)cc3)C2)cc1 ZINC001460165445 1067568404 /nfs/dbraw/zinc/56/84/04/1067568404.db2.gz KPOFOABNZBHBSQ-RUZDIDTESA-N 1 0 455.602 4.915 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CCC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC001460167543 1067568852 /nfs/dbraw/zinc/56/88/52/1067568852.db2.gz CKWFZXYFALWFGH-IBGZPJMESA-N 1 0 459.400 4.639 20 0 JJADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)cc1Cl ZINC001460172286 1067569724 /nfs/dbraw/zinc/56/97/24/1067569724.db2.gz NROUIAZBVGPFKZ-CYBMUJFWSA-N 1 0 456.764 4.501 20 0 JJADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)cc1Cl ZINC001460172292 1067570087 /nfs/dbraw/zinc/57/00/87/1067570087.db2.gz NROUIAZBVGPFKZ-ZDUSSCGKSA-N 1 0 456.764 4.501 20 0 JJADRO Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@@H](C)c3ccc(N4CCCNC4=O)cc3)cc2)c1 ZINC001460182478 1067573017 /nfs/dbraw/zinc/57/30/17/1067573017.db2.gz RKOLNFPMYZCVDJ-FQEVSTJZSA-N 1 0 458.562 4.996 20 0 JJADRO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCCNC2=O)cc1 ZINC001460183782 1067573793 /nfs/dbraw/zinc/57/37/93/1067573793.db2.gz VUBWWFNUTIWMGR-LBPRGKRZSA-N 1 0 455.773 4.856 20 0 JJADRO O=C1[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CCN1c1cccc(Br)c1 ZINC001460184154 1067573927 /nfs/dbraw/zinc/57/39/27/1067573927.db2.gz IVVHHTXCPAHKKR-XPWALMASSA-N 1 0 451.364 4.619 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001460195927 1067576487 /nfs/dbraw/zinc/57/64/87/1067576487.db2.gz GDEXZRITMQACBP-LRSLUSHPSA-N 1 0 450.570 4.820 20 0 JJADRO CC(C)(C)OC(=O)NCc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4cccs4)cc3)C2)nn1 ZINC001460197918 1067576822 /nfs/dbraw/zinc/57/68/22/1067576822.db2.gz ODFSZJXPZUCUTL-NRFANRHFSA-N 1 0 453.612 4.868 20 0 JJADRO COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)ccc1SC ZINC001460198953 1067577253 /nfs/dbraw/zinc/57/72/53/1067577253.db2.gz RRBUKXRDZBTENG-UGKGYDQZSA-N 1 0 450.645 4.701 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@@H](Oc3ccccc3)c3ccccc3)CC2)cc1 ZINC001460213171 1067580789 /nfs/dbraw/zinc/58/07/89/1067580789.db2.gz NBFMATRJHVENMQ-MHZLTWQESA-N 1 0 457.574 4.546 20 0 JJADRO COc1cccc(-c2nnc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217062 1067581780 /nfs/dbraw/zinc/58/17/80/1067581780.db2.gz WYFFXUTWSBSHNO-CTNGQTDRSA-N 1 0 456.587 4.747 20 0 JJADRO O=C(OCc1ccccc1)N1CCC(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC001460220817 1067582732 /nfs/dbraw/zinc/58/27/32/1067582732.db2.gz LXNOVPYQFNQHCK-NRFANRHFSA-N 1 0 454.533 4.716 20 0 JJADRO COC(=O)[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC001460221452 1067583110 /nfs/dbraw/zinc/58/31/10/1067583110.db2.gz KICSRKLTVSFZBZ-GVAUOCQISA-N 1 0 452.957 4.951 20 0 JJADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(Cl)c1 ZINC001460222240 1067583503 /nfs/dbraw/zinc/58/35/03/1067583503.db2.gz RETPULDOYPSQAA-WIOPSUGQSA-N 1 0 451.973 4.984 20 0 JJADRO C[C@H](NC(=O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001460228641 1067584670 /nfs/dbraw/zinc/58/46/70/1067584670.db2.gz CGNKDDWIUGPDBY-HNNXBMFYSA-N 1 0 456.455 4.995 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](C[NH+]3CCC(Cc4cc(F)ccc4F)CC3)C2)C1 ZINC001460232577 1067585973 /nfs/dbraw/zinc/58/59/73/1067585973.db2.gz DKJICZWAHYUSBP-OFVILXPXSA-N 1 0 450.570 4.635 20 0 JJADRO C[C@H](NC(=O)C[NH+]1CCC(Cc2cc(F)ccc2F)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001460237191 1067587380 /nfs/dbraw/zinc/58/73/80/1067587380.db2.gz XPISVFNGOXDSGZ-HNNXBMFYSA-N 1 0 456.455 4.995 20 0 JJADRO Cc1ccc2c(C[N@H+]3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)cc(=O)oc2c1 ZINC001460242210 1067589528 /nfs/dbraw/zinc/58/95/28/1067589528.db2.gz RVCDVVAQWIHART-RBBKRZOGSA-N 1 0 452.526 4.733 20 0 JJADRO Cc1ccc(Oc2ccccc2NC(=O)C[NH2+]C2(CC(=O)OC(C)(C)C)CCOCC2)cc1 ZINC001460277325 1067596023 /nfs/dbraw/zinc/59/60/23/1067596023.db2.gz NFNZTMJTFOTSRO-UHFFFAOYSA-N 1 0 454.567 4.596 20 0 JJADRO Cc1cccc(Oc2ccc(NC(=O)C[NH2+]C3(CC(=O)OC(C)(C)C)CCOCC3)cc2)c1 ZINC001460276690 1067596088 /nfs/dbraw/zinc/59/60/88/1067596088.db2.gz LRXKCKPEXKBCSW-UHFFFAOYSA-N 1 0 454.567 4.596 20 0 JJADRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C[C@H]1c1ccc(F)cc1F ZINC001460277955 1067596200 /nfs/dbraw/zinc/59/62/00/1067596200.db2.gz OOYKOFYZOQBQEI-ZVDOUQERSA-N 1 0 450.323 4.993 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001460279466 1067596615 /nfs/dbraw/zinc/59/66/15/1067596615.db2.gz KQWUMTISYQROFJ-RTBURBONSA-N 1 0 461.404 4.832 20 0 JJADRO COC(=O)[C@@H]1CN([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279901 1067597153 /nfs/dbraw/zinc/59/71/53/1067597153.db2.gz VGNZVJMPVVLYND-JSMQRPJFSA-N 1 0 466.528 4.572 20 0 JJADRO CCOC(=O)c1c2c(sc1NC(=O)CN1C[C@@H](C)c3ccccc31)C(C)(C)[NH2+]C(C)(C)C2 ZINC001460286568 1067598809 /nfs/dbraw/zinc/59/88/09/1067598809.db2.gz PKYRGCCNXXIBDS-OAHLLOKOSA-N 1 0 455.624 4.646 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccn2)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001460305117 1067603390 /nfs/dbraw/zinc/60/33/90/1067603390.db2.gz NJGXNUUYBBOVFO-PMACEKPBSA-N 1 0 457.537 4.783 20 0 JJADRO Cc1ccc(C)c(-c2cc(NC(=O)CN3CC[N@@H+](C)[C@H](C(C)(C)C)C3)n(-c3ccccc3)n2)c1 ZINC001460326730 1067608817 /nfs/dbraw/zinc/60/88/17/1067608817.db2.gz CITSLGUVLKNUKB-VWLOTQADSA-N 1 0 459.638 4.757 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC001460327141 1067608899 /nfs/dbraw/zinc/60/88/99/1067608899.db2.gz UKXXGIUDXWICOS-BBVYRSAVSA-N 1 0 479.640 4.788 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC001460327848 1067609498 /nfs/dbraw/zinc/60/94/98/1067609498.db2.gz YVWXQIXKLUKATP-DQEYMECFSA-N 1 0 451.630 4.844 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460341869 1067612424 /nfs/dbraw/zinc/61/24/24/1067612424.db2.gz IESJFFBPTFYUSZ-REWPJTCUSA-N 1 0 451.611 4.660 20 0 JJADRO CCOc1ccccc1OCC(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460350481 1067614501 /nfs/dbraw/zinc/61/45/01/1067614501.db2.gz QWXKTGCHGRAJQU-VWLOTQADSA-N 1 0 459.590 4.553 20 0 JJADRO FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC001460355056 1067615289 /nfs/dbraw/zinc/61/52/89/1067615289.db2.gz GQSUQFDXVPAVEP-OXJNMPFZSA-N 1 0 455.318 4.753 20 0 JJADRO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CC(=O)NCCCOC1CCCCC1 ZINC001460367456 1067619390 /nfs/dbraw/zinc/61/93/90/1067619390.db2.gz BELKRTZEWIPPOC-HSZRJFAPSA-N 1 0 456.549 4.838 20 0 JJADRO CCOC(=O)c1cc(COC)cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c1 ZINC001460369152 1067620123 /nfs/dbraw/zinc/62/01/23/1067620123.db2.gz XSNBHUNNHQPORI-IZZNHLLZSA-N 1 0 464.606 4.887 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C12CCCC2 ZINC001460369978 1067620514 /nfs/dbraw/zinc/62/05/14/1067620514.db2.gz SVASZTRLFFQMFC-UXHICEINSA-N 1 0 451.652 4.935 20 0 JJADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C34CCCC4)co2)cc1 ZINC001460370264 1067620580 /nfs/dbraw/zinc/62/05/80/1067620580.db2.gz UIAUBHJOGXYPFU-FQEVSTJZSA-N 1 0 455.555 4.540 20 0 JJADRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)c(OC)c1 ZINC001460373432 1067620884 /nfs/dbraw/zinc/62/08/84/1067620884.db2.gz PFDYVCLEODOYBV-JOCHJYFZSA-N 1 0 452.473 4.638 20 0 JJADRO CCOc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)nc1 ZINC001460387716 1067623697 /nfs/dbraw/zinc/62/36/97/1067623697.db2.gz BIBOEAAFJQEQLO-UNMCSNQZSA-N 1 0 459.562 4.511 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cccc3c2CCOC3)cc1 ZINC001460390201 1067624570 /nfs/dbraw/zinc/62/45/70/1067624570.db2.gz LYWCLJKFLMLQHQ-DQEYMECFSA-N 1 0 452.595 4.651 20 0 JJADRO Cc1ccc(N2CC[C@@H]([NH2+][C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC001460392961 1067625334 /nfs/dbraw/zinc/62/53/34/1067625334.db2.gz UUOPTTRDKFYICC-WXFUMESZSA-N 1 0 467.585 4.622 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC001460392307 1067625356 /nfs/dbraw/zinc/62/53/56/1067625356.db2.gz RQLVAFJQRYPWNF-DQEYMECFSA-N 1 0 462.594 4.764 20 0 JJADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC001460404798 1067627615 /nfs/dbraw/zinc/62/76/15/1067627615.db2.gz JJNMCCYDTVUJRT-UHFFFAOYSA-N 1 0 452.437 4.508 20 0 JJADRO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC001460406554 1067628889 /nfs/dbraw/zinc/62/88/89/1067628889.db2.gz CVRNCXKWHSQWOB-WIYYLYMNSA-N 1 0 451.449 4.910 20 0 JJADRO Ic1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)co2)cc1 ZINC001460452098 1067637129 /nfs/dbraw/zinc/63/71/29/1067637129.db2.gz KRTFPEDMQDZFDD-VQIMIIECSA-N 1 0 452.336 4.727 20 0 JJADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(Cl)cc1Cl ZINC001460478696 1067641695 /nfs/dbraw/zinc/64/16/95/1067641695.db2.gz BJVBGRDQYOVQGG-RDTXWAMCSA-N 1 0 456.414 4.692 20 0 JJADRO O=c1cc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)nc2ccc(Br)cn12 ZINC001460485834 1067643692 /nfs/dbraw/zinc/64/36/92/1067643692.db2.gz BRDKXJOAQNSQLI-UHFFFAOYSA-N 1 0 452.274 4.645 20 0 JJADRO O=C(C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001460490104 1067644710 /nfs/dbraw/zinc/64/47/10/1067644710.db2.gz YUTBNJSYFDNTOY-UHFFFAOYSA-N 1 0 459.512 4.985 20 0 JJADRO CC(C)N(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1F ZINC001460563054 1067656534 /nfs/dbraw/zinc/65/65/34/1067656534.db2.gz QXDPUOSJJCFPHU-JOCHJYFZSA-N 1 0 454.590 4.815 20 0 JJADRO CN(C)C[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599031 1067666304 /nfs/dbraw/zinc/66/63/04/1067666304.db2.gz WTQULFHYPMIUHB-DNVCBOLYSA-N 1 0 452.209 4.932 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@@](C)(CC)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460600642 1067667115 /nfs/dbraw/zinc/66/71/15/1067667115.db2.gz FUWYTBJGFLCVKY-QPPBQGQZSA-N 1 0 459.949 4.565 20 0 JJADRO Cc1cc(Br)c(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c(Br)c1 ZINC001460619603 1067674536 /nfs/dbraw/zinc/67/45/36/1067674536.db2.gz IPSCOUYFVGETNX-APWZRJJASA-N 1 0 468.189 4.578 20 0 JJADRO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001460627940 1067678003 /nfs/dbraw/zinc/67/80/03/1067678003.db2.gz WRQOULVJYQWPTJ-HXUWFJFHSA-N 1 0 458.883 4.702 20 0 JJADRO CSC1(CNC(=O)CC[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC001460636300 1067680504 /nfs/dbraw/zinc/68/05/04/1067680504.db2.gz XSILYKNTOAPDFZ-HXUWFJFHSA-N 1 0 455.709 4.574 20 0 JJADRO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460660377 1067691886 /nfs/dbraw/zinc/69/18/86/1067691886.db2.gz OBEOREKKOYVINF-DEOSSOPVSA-N 1 0 457.574 4.826 20 0 JJADRO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001460662455 1067692575 /nfs/dbraw/zinc/69/25/75/1067692575.db2.gz UAUBGODNGNKDNI-RBUKOAKNSA-N 1 0 453.421 4.864 20 0 JJADRO CC(C)CN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)C1CC[NH+](C)CC1 ZINC001460664704 1067693034 /nfs/dbraw/zinc/69/30/34/1067693034.db2.gz MQQWKMWWCAGTBF-UHFFFAOYSA-N 1 0 456.475 4.755 20 0 JJADRO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001460670200 1067694506 /nfs/dbraw/zinc/69/45/06/1067694506.db2.gz JVBBZWZKEHFTNK-RBBKRZOGSA-N 1 0 450.652 4.630 20 0 JJADRO COc1ccccc1C[C@](C)(CO)[NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001460696431 1067703721 /nfs/dbraw/zinc/70/37/21/1067703721.db2.gz MRAVDPXLWYJEBP-RUZDIDTESA-N 1 0 454.954 4.663 20 0 JJADRO Cc1ccc([C@H]2CC[N@H+](CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697462 1067703910 /nfs/dbraw/zinc/70/39/10/1067703910.db2.gz OZUKFHUQKZHWMT-WIYYLYMNSA-N 1 0 459.512 4.869 20 0 JJADRO Cc1occ(C(F)(F)F)c1C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460703942 1067705196 /nfs/dbraw/zinc/70/51/96/1067705196.db2.gz FALKMHMSRWUJQL-UHFFFAOYSA-N 1 0 455.908 4.687 20 0 JJADRO CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460708708 1067705984 /nfs/dbraw/zinc/70/59/84/1067705984.db2.gz NOQWQFMXOANLTH-VWLOTQADSA-N 1 0 456.030 4.619 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC001460713008 1067706915 /nfs/dbraw/zinc/70/69/15/1067706915.db2.gz ZISLAPAZQYFEFZ-REWPJTCUSA-N 1 0 457.640 4.723 20 0 JJADRO CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)c1ccccc1Br ZINC001460732388 1067711628 /nfs/dbraw/zinc/71/16/28/1067711628.db2.gz RYRNJHUNXVBZGH-DHLKQENFSA-N 1 0 453.424 4.963 20 0 JJADRO CC[N@@H+](Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1)C[C@@H](O)CC1(O)CCOCC1 ZINC001460738868 1067712544 /nfs/dbraw/zinc/71/25/44/1067712544.db2.gz RXMLDFZMOHPBDX-FQEVSTJZSA-N 1 0 454.394 4.900 20 0 JJADRO C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(=O)Nc1ccc(Br)cc1 ZINC001460747556 1067714869 /nfs/dbraw/zinc/71/48/69/1067714869.db2.gz JNBNFUZQOGPBGV-BDJLRTHQSA-N 1 0 454.162 4.652 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC001460751850 1067715969 /nfs/dbraw/zinc/71/59/69/1067715969.db2.gz RCGKFXVNWYLYBY-MDNUFGMLSA-N 1 0 450.664 4.900 20 0 JJADRO CCO[C@@H](C)c1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC001460758546 1067717964 /nfs/dbraw/zinc/71/79/64/1067717964.db2.gz AORSXTLYGVGYFO-BULFRSBZSA-N 1 0 453.583 4.778 20 0 JJADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(OCC(F)(F)F)o1 ZINC001460759220 1067718476 /nfs/dbraw/zinc/71/84/76/1067718476.db2.gz FBDXWILNGPPYDB-VQTJNVASSA-N 1 0 462.443 4.758 20 0 JJADRO CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460763697 1067719398 /nfs/dbraw/zinc/71/93/98/1067719398.db2.gz KIUBGKOJAQBBCP-IZZNHLLZSA-N 1 0 459.565 4.818 20 0 JJADRO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(CC[NH+](C)C)Cc3ccsc3)cc12 ZINC001460769530 1067720265 /nfs/dbraw/zinc/72/02/65/1067720265.db2.gz CMTGNWBWKMHCBJ-UHFFFAOYSA-N 1 0 456.612 4.859 20 0 JJADRO Brc1cnc([C@@H]2CCCN(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)nc1 ZINC001460771803 1067720692 /nfs/dbraw/zinc/72/06/92/1067720692.db2.gz NKVPJLLOTHRKKS-JOCHJYFZSA-N 1 0 457.460 4.763 20 0 JJADRO C[C@@H]1C[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774211 1067721004 /nfs/dbraw/zinc/72/10/04/1067721004.db2.gz HMEAUKAZUZZMIY-UZKOGDIHSA-N 1 0 463.638 4.902 20 0 JJADRO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774645 1067721184 /nfs/dbraw/zinc/72/11/84/1067721184.db2.gz JYOPWKWLODVATO-WOJBJXKFSA-N 1 0 453.583 4.900 20 0 JJADRO FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001460782268 1067722561 /nfs/dbraw/zinc/72/25/61/1067722561.db2.gz VRFNALZLORNPMW-QEUVDIPISA-N 1 0 458.446 4.821 20 0 JJADRO COc1ccc(CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(SC(F)(F)F)c2)cc1OC ZINC001460801829 1067727012 /nfs/dbraw/zinc/72/70/12/1067727012.db2.gz BCSOXUWRBLHFRG-LSDHHAIUSA-N 1 0 456.530 4.714 20 0 JJADRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](CC(=O)Nc4ccc(C(F)(F)F)cc4)CC3)c2c1 ZINC001460815806 1067728675 /nfs/dbraw/zinc/72/86/75/1067728675.db2.gz SUXLYZQFALEEDU-UHFFFAOYSA-N 1 0 459.468 4.791 20 0 JJADRO Cc1nc2ccccc2n1CCCCC[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001460844037 1067733472 /nfs/dbraw/zinc/73/34/72/1067733472.db2.gz FIZZDXXHYBETQB-UHFFFAOYSA-N 1 0 456.631 4.617 20 0 JJADRO CC(C)(C)OC(=O)NCC1([C@@H]2CCCC[N@@H+]2C[C@H]2CCN(C(=O)c3ccccc3)C2)CCC1 ZINC001460846434 1067733830 /nfs/dbraw/zinc/73/38/30/1067733830.db2.gz DUWPGIBPUDPAGR-GGAORHGYSA-N 1 0 455.643 4.698 20 0 JJADRO CC(C)(C)OC(=O)NCC1([C@H]2CCCC[N@@H+]2C[C@@H]2CCN(C(=O)c3ccccc3)C2)CCC1 ZINC001460846441 1067734441 /nfs/dbraw/zinc/73/44/41/1067734441.db2.gz DUWPGIBPUDPAGR-JTHBVZDNSA-N 1 0 455.643 4.698 20 0 JJADRO Cc1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1NC(=O)c1cccs1 ZINC001460855522 1067735632 /nfs/dbraw/zinc/73/56/32/1067735632.db2.gz NQONJNUHSATLEN-UHFFFAOYSA-N 1 0 453.530 4.798 20 0 JJADRO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460878920 1067740784 /nfs/dbraw/zinc/74/07/84/1067740784.db2.gz HQQJGBBCZMEFGO-VCBZYWHSSA-N 1 0 456.414 4.581 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C[C@@H]2C1 ZINC001460881468 1067741804 /nfs/dbraw/zinc/74/18/04/1067741804.db2.gz CKBWJEKMJOLHEF-ZIAGYGMSSA-N 1 0 453.370 4.732 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460884258 1067742186 /nfs/dbraw/zinc/74/21/86/1067742186.db2.gz YDRXPJYCARGRGC-OAHLLOKOSA-N 1 0 450.377 4.841 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3csc(C)n3)n2CC2(SC)CC[NH+](C)CC2)CCS1 ZINC001546119913 1067743044 /nfs/dbraw/zinc/74/30/44/1067743044.db2.gz VBMYOJNSBGJILM-UHFFFAOYSA-N 1 0 494.800 4.573 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2CC[N@H+](C)Cc2ccccc2)CCS1 ZINC001546119961 1067743671 /nfs/dbraw/zinc/74/36/71/1067743671.db2.gz WSGFLELDPGLGEC-UHFFFAOYSA-N 1 0 464.683 4.508 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3cn4ccccc4n3)n2CC[NH+](C(C)C)C(C)C)CCS1 ZINC001546119957 1067743846 /nfs/dbraw/zinc/74/38/46/1067743846.db2.gz WPFOTHLIQYXTSA-UHFFFAOYSA-N 1 0 483.730 4.747 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)cc1 ZINC001460911280 1067746916 /nfs/dbraw/zinc/74/69/16/1067746916.db2.gz UPIPZYCSVJFERZ-SANMLTNESA-N 1 0 458.606 4.944 20 0 JJADRO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[NH2+]C1(C2CCCCC2)CC1 ZINC001460914084 1067747081 /nfs/dbraw/zinc/74/70/81/1067747081.db2.gz KPQVBRVAYJKYJI-UHFFFAOYSA-N 1 0 451.567 4.597 20 0 JJADRO CCCCCCc1ccc(-c2csc(NC(=O)C[NH2+][C@H]3CCOC34CCOCC4)n2)cc1 ZINC001460915614 1067747264 /nfs/dbraw/zinc/74/72/64/1067747264.db2.gz JDZZJDGDKBKPBP-QFIPXVFZSA-N 1 0 457.640 4.799 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](CCOc3ccccc3Br)C[C@@H]1CCCC2 ZINC001460969506 1067754754 /nfs/dbraw/zinc/75/47/54/1067754754.db2.gz CYWXAMMFCIAHPN-JTSKRJEESA-N 1 0 453.421 4.845 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CCCC12CC[NH+](Cc1cc(=O)[nH]c(-c3ccccc3)n1)CC2 ZINC001460969021 1067754802 /nfs/dbraw/zinc/75/48/02/1067754802.db2.gz BCOOBYJRTNVSDQ-HXUWFJFHSA-N 1 0 452.599 4.756 20 0 JJADRO Cc1sc2nc(C[NH+]3CCC4(CCC[C@H]4CNC(=O)OC(C)(C)C)CC3)nc(N)c2c1C ZINC001460972887 1067755079 /nfs/dbraw/zinc/75/50/79/1067755079.db2.gz BYXXGNZPRZFKHH-KRWDZBQOSA-N 1 0 459.660 4.797 20 0 JJADRO O=c1cc(C[NH+]2CCC(OCc3ccc(Br)cc3)CC2)nc(-c2ccccc2)[nH]1 ZINC001460974689 1067755185 /nfs/dbraw/zinc/75/51/85/1067755185.db2.gz ORGVLWJILWSCNC-UHFFFAOYSA-N 1 0 454.368 4.793 20 0 JJADRO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H]3[C@@H]4CCCN(C(=O)OC(C)(C)C)[C@@H]4C3(C)C)C2=O)c1 ZINC001460983118 1067756925 /nfs/dbraw/zinc/75/69/25/1067756925.db2.gz UDJVUDYLIVJDLE-BZNRXQDOSA-N 1 0 459.606 4.643 20 0 JJADRO Cc1ccc([C@H](NC(=O)C[NH2+][C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)C2CC2)cc1 ZINC001460985060 1067757230 /nfs/dbraw/zinc/75/72/30/1067757230.db2.gz ZVJMYAADNHGPMP-IQFVJIFQSA-N 1 0 455.643 4.576 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CCC[C@@H]12 ZINC001460984800 1067757257 /nfs/dbraw/zinc/75/72/57/1067757257.db2.gz FBOPMBZGAIRGOT-UZLBHIALSA-N 1 0 461.912 4.819 20 0 JJADRO CC[N@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989545 1067758564 /nfs/dbraw/zinc/75/85/64/1067758564.db2.gz XFRNZAAALKQSTF-LJQANCHMSA-N 1 0 458.430 4.673 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](C[NH+]3CCCC3)c3ccccc3)o2)C1 ZINC001460993015 1067759421 /nfs/dbraw/zinc/75/94/21/1067759421.db2.gz QNSLCDDUTWEGRS-VWNXMTODSA-N 1 0 453.627 4.764 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CC2(CC[NH+](CC3(Br)CC3)CC2)Oc2ccccc21 ZINC001460996407 1067759859 /nfs/dbraw/zinc/75/98/59/1067759859.db2.gz ZIYHBBISTQHEIU-KRWDZBQOSA-N 1 0 451.405 4.797 20 0 JJADRO Clc1cc(C[NH2+]CC(c2ccccc2)c2ccccc2)ccc1OCCN1CCOCC1 ZINC001461001456 1067760595 /nfs/dbraw/zinc/76/05/95/1067760595.db2.gz SZNZMLHITWSSLK-UHFFFAOYSA-N 1 0 451.010 4.973 20 0 JJADRO COc1ccc([C@@H](C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)N2CCCCC2)cc1 ZINC001461014110 1067762356 /nfs/dbraw/zinc/76/23/56/1067762356.db2.gz PKEZTJUJOKICDN-AREMUKBSSA-N 1 0 451.611 4.613 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]CCc3cc(Cl)c4c(c3)OCCO4)cc2C1 ZINC001461014502 1067762370 /nfs/dbraw/zinc/76/23/70/1067762370.db2.gz BNZYTYJSCGNMBR-UHFFFAOYSA-N 1 0 458.986 4.737 20 0 JJADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC001461018394 1067762859 /nfs/dbraw/zinc/76/28/59/1067762859.db2.gz FGXJSPTUJCRMLV-XMMPIXPASA-N 1 0 453.030 4.871 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]C[C@H](O)COc1ccccc1 ZINC001461019219 1067762897 /nfs/dbraw/zinc/76/28/97/1067762897.db2.gz NWDJYHTVKVNZFQ-KRWDZBQOSA-N 1 0 454.785 4.730 20 0 JJADRO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC001461026634 1067764830 /nfs/dbraw/zinc/76/48/30/1067764830.db2.gz WVGDXZJNZUUPOV-UHFFFAOYSA-N 1 0 452.046 4.735 20 0 JJADRO Cc1ccc(OC(F)F)c(C[NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001461031638 1067765962 /nfs/dbraw/zinc/76/59/62/1067765962.db2.gz ZCYXXNMWESGOJU-UHFFFAOYSA-N 1 0 457.487 4.917 20 0 JJADRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC001461036054 1067766541 /nfs/dbraw/zinc/76/65/41/1067766541.db2.gz RZMUMLJEJSROCV-UHFFFAOYSA-N 1 0 456.009 4.700 20 0 JJADRO Nc1c(Br)cc(Br)cc1C[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC001461038454 1067767375 /nfs/dbraw/zinc/76/73/75/1067767375.db2.gz IKLSAPSAVMUNAQ-UHFFFAOYSA-N 1 0 455.194 4.800 20 0 JJADRO C[C@H]1CN([C@H](C[NH2+]Cc2c(F)cccc2Br)c2c(F)cccc2Cl)CCO1 ZINC001461050633 1067769815 /nfs/dbraw/zinc/76/98/15/1067769815.db2.gz LVIYVQREYRULPH-ORAYPTAESA-N 1 0 459.762 4.932 20 0 JJADRO CCOc1cc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c(F)cc1OC ZINC001461053037 1067770698 /nfs/dbraw/zinc/77/06/98/1067770698.db2.gz YHPRMHLZQXEJPL-YWZLYKJASA-N 1 0 454.945 4.577 20 0 JJADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC001461062997 1067773566 /nfs/dbraw/zinc/77/35/66/1067773566.db2.gz HFDOASGVVJWDBT-ACCUITESSA-N 1 0 453.384 4.647 20 0 JJADRO CCSc1ccccc1CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001461063544 1067773928 /nfs/dbraw/zinc/77/39/28/1067773928.db2.gz JCEWGAVSNPQIOC-UHFFFAOYSA-N 1 0 450.446 4.740 20 0 JJADRO Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001461065920 1067774624 /nfs/dbraw/zinc/77/46/24/1067774624.db2.gz UQKXNEUIOYCWTO-UHFFFAOYSA-N 1 0 459.363 4.695 20 0 JJADRO Brc1ccc(OCc2ccccc2)c(C[NH2+]CCOc2ccc3c(c2)OCO3)c1 ZINC001461088559 1067779418 /nfs/dbraw/zinc/77/94/18/1067779418.db2.gz KWYFRSSRVCYBHX-UHFFFAOYSA-N 1 0 456.336 4.925 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(Br)c(Cl)c3)cc2)C[C@@H](C)O1 ZINC001461093420 1067780662 /nfs/dbraw/zinc/78/06/62/1067780662.db2.gz RLURKVMCIOVMLI-HUUCEWRRSA-N 1 0 451.792 4.642 20 0 JJADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001461093797 1067780926 /nfs/dbraw/zinc/78/09/26/1067780926.db2.gz GFLZJQQGKZPWPQ-AWEZNQCLSA-N 1 0 457.338 4.545 20 0 JJADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCCN2CCN(c3ccccc3Cl)CC2)s1 ZINC001461106704 1067783131 /nfs/dbraw/zinc/78/31/31/1067783131.db2.gz ZSDSKKZZMOETQA-UHFFFAOYSA-N 1 0 450.048 4.659 20 0 JJADRO CC(C)N(C(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461117685 1067784925 /nfs/dbraw/zinc/78/49/25/1067784925.db2.gz YBVSXQUUFHNKCV-HSZRJFAPSA-N 1 0 452.595 4.532 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)CC(F)F ZINC001461122833 1067785714 /nfs/dbraw/zinc/78/57/14/1067785714.db2.gz XBOQULFLWBTQES-IBGZPJMESA-N 1 0 457.525 4.572 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC001461123134 1067785782 /nfs/dbraw/zinc/78/57/82/1067785782.db2.gz YFTDETMBRPLDNW-IBGZPJMESA-N 1 0 454.290 4.785 20 0 JJADRO Clc1sc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1Br ZINC001461128566 1067786740 /nfs/dbraw/zinc/78/67/40/1067786740.db2.gz IIUYDNGPLKQAQN-INIZCTEOSA-N 1 0 450.229 4.981 20 0 JJADRO CC(C)(C)OC(=O)NCCc1ccc(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)cc1 ZINC001461128949 1067786984 /nfs/dbraw/zinc/78/69/84/1067786984.db2.gz OSTFGABQDFTDIT-UHFFFAOYSA-N 1 0 455.002 4.942 20 0 JJADRO COc1ccc(OCc2ccccn2)c(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001461130257 1067787151 /nfs/dbraw/zinc/78/71/51/1067787151.db2.gz WABINLYKWXAUEX-UXHICEINSA-N 1 0 455.599 4.794 20 0 JJADRO C[C@@]1(c2ccc(C[NH2+]Cc3ccccc3Oc3ccc(F)c(Cl)c3)cc2)NC(=O)NC1=O ZINC001461133542 1067787357 /nfs/dbraw/zinc/78/73/57/1067787357.db2.gz LVRNHUBDDQPELP-DEOSSOPVSA-N 1 0 453.901 4.616 20 0 JJADRO CCCC[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461132980 1067787460 /nfs/dbraw/zinc/78/74/60/1067787460.db2.gz SNSKEYVDPXOPNI-QHCPKHFHSA-N 1 0 450.558 4.967 20 0 JJADRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC001461144774 1067788572 /nfs/dbraw/zinc/78/85/72/1067788572.db2.gz UTQGOTKUAHMCLZ-HNNXBMFYSA-N 1 0 457.372 4.697 20 0 JJADRO C[C@H]([NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001461151351 1067790009 /nfs/dbraw/zinc/79/00/09/1067790009.db2.gz UQUWHAFVPWEJNO-OMCJBDSBSA-N 1 0 450.604 4.880 20 0 JJADRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001461154628 1067790293 /nfs/dbraw/zinc/79/02/93/1067790293.db2.gz OCKARBAHOZDWFV-NSHDSACASA-N 1 0 452.292 4.602 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC001461170841 1067792469 /nfs/dbraw/zinc/79/24/69/1067792469.db2.gz PDPDWQCXTXHXOY-AWEZNQCLSA-N 1 0 455.422 4.780 20 0 JJADRO CC[C@H](C)[C@H]([NH2+]Cc1ccc(Br)nc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001461181120 1067794004 /nfs/dbraw/zinc/79/40/04/1067794004.db2.gz JVJPOIPMWSYHSB-MBSDFSHPSA-N 1 0 458.444 4.830 20 0 JJADRO Fc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2I)cc1 ZINC001461202205 1067798545 /nfs/dbraw/zinc/79/85/45/1067798545.db2.gz LEEDLZDFVREHQD-LQWHRVPQSA-N 1 0 450.339 4.736 20 0 JJADRO OC[C@]1([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCCN(Cc2ccccc2)C1 ZINC001461202695 1067798637 /nfs/dbraw/zinc/79/86/37/1067798637.db2.gz KYJYDPYNFJQLHZ-FQEVSTJZSA-N 1 0 457.334 4.585 20 0 JJADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001461205745 1067798974 /nfs/dbraw/zinc/79/89/74/1067798974.db2.gz ZKILAUASZUNQFE-DLBZAZTESA-N 1 0 454.409 4.512 20 0 JJADRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC001461204809 1067799084 /nfs/dbraw/zinc/79/90/84/1067799084.db2.gz JDDWOHJHRRLJEJ-UHFFFAOYSA-N 1 0 453.336 4.875 20 0 JJADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001461205749 1067799359 /nfs/dbraw/zinc/79/93/59/1067799359.db2.gz ZKILAUASZUNQFE-IRXDYDNUSA-N 1 0 454.409 4.512 20 0 JJADRO CCc1nc(CN2CCC(C[NH2+]Cc3c(C)nn(-c4ccc(F)cc4F)c3C)CC2)cs1 ZINC001461208839 1067799606 /nfs/dbraw/zinc/79/96/06/1067799606.db2.gz HSEUCWLYWGIWEK-UHFFFAOYSA-N 1 0 459.610 4.788 20 0 JJADRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)c2)cc1 ZINC001461209034 1067799921 /nfs/dbraw/zinc/79/99/21/1067799921.db2.gz PGDFXCATZAGUNW-RBBKRZOGSA-N 1 0 451.592 4.707 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001461216891 1067801800 /nfs/dbraw/zinc/80/18/00/1067801800.db2.gz LPDNGWPJUDDDER-CTNGQTDRSA-N 1 0 450.558 4.849 20 0 JJADRO COc1cc(CNc2ccccc2C[NH+]2CCC(O)CC2)ccc1OCc1ccc(F)cc1 ZINC001461225575 1067803762 /nfs/dbraw/zinc/80/37/62/1067803762.db2.gz RVKIUCNTPXKKOQ-UHFFFAOYSA-N 1 0 450.554 4.982 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC001461225136 1067803945 /nfs/dbraw/zinc/80/39/45/1067803945.db2.gz MLDUXNVDNAAPSH-UGKGYDQZSA-N 1 0 457.571 4.558 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001461225133 1067804002 /nfs/dbraw/zinc/80/40/02/1067804002.db2.gz MLDUXNVDNAAPSH-DENIHFKCSA-N 1 0 457.571 4.558 20 0 JJADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC001461229047 1067804833 /nfs/dbraw/zinc/80/48/33/1067804833.db2.gz INAZZUDERFDZEK-UHFFFAOYSA-N 1 0 455.393 4.536 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cc(Br)sc1Br)C1CC1 ZINC001461237216 1067806809 /nfs/dbraw/zinc/80/68/09/1067806809.db2.gz XAEADWOKWURFHL-LLVKDONJSA-N 1 0 454.228 4.666 20 0 JJADRO COc1cc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c(-c2ccccc2)cc1OC ZINC001461238177 1067807117 /nfs/dbraw/zinc/80/71/17/1067807117.db2.gz ZMYWWPAITMIOHV-NRFANRHFSA-N 1 0 455.938 4.619 20 0 JJADRO C[C@H]([NH2+]Cc1cccc(F)c1I)[C@H](O)c1c(Cl)cccc1Cl ZINC001461240089 1067807447 /nfs/dbraw/zinc/80/74/47/1067807447.db2.gz SQCFQXQXVBPJKJ-FVMDXXJSSA-N 1 0 454.110 4.949 20 0 JJADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@H](C)Oc3ccc(Br)cc3)cnc12 ZINC001461240756 1067807572 /nfs/dbraw/zinc/80/75/72/1067807572.db2.gz WIIUBPNMEKLKQI-CYBMUJFWSA-N 1 0 453.178 4.725 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001461254011 1067811115 /nfs/dbraw/zinc/81/11/15/1067811115.db2.gz SBRLVGINMZXFMT-QFIPXVFZSA-N 1 0 453.384 4.537 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001461264896 1067813828 /nfs/dbraw/zinc/81/38/28/1067813828.db2.gz RQCRDTJLVXGACI-OAQYLSRUSA-N 1 0 458.908 4.904 20 0 JJADRO C[C@]1(NC(=O)c2ccc(OC(F)(F)F)cc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC001461270961 1067814956 /nfs/dbraw/zinc/81/49/56/1067814956.db2.gz GPHBHEJGUIRFTG-IBGZPJMESA-N 1 0 457.290 4.742 20 0 JJADRO Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272363 1067815794 /nfs/dbraw/zinc/81/57/94/1067815794.db2.gz MKEATNJPWMTPER-LITSAYRRSA-N 1 0 455.602 4.637 20 0 JJADRO CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001461298898 1067822239 /nfs/dbraw/zinc/82/22/39/1067822239.db2.gz GPOZPWLIIMTOLS-QXAKKESOSA-N 1 0 450.608 4.890 20 0 JJADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)CC1 ZINC001461302530 1067822523 /nfs/dbraw/zinc/82/25/23/1067822523.db2.gz FSNKIXWGHOSIGJ-AZUAARDMSA-N 1 0 459.428 4.506 20 0 JJADRO Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC001461306124 1067824085 /nfs/dbraw/zinc/82/40/85/1067824085.db2.gz FGUPQMDNLJJTJM-MRXNPFEDSA-N 1 0 453.871 4.756 20 0 JJADRO Cc1c(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)nnn1-c1ccc(F)c(Cl)c1 ZINC001461312671 1067825602 /nfs/dbraw/zinc/82/56/02/1067825602.db2.gz PFXSBCGRIONNCE-UHFFFAOYSA-N 1 0 459.978 4.808 20 0 JJADRO COc1cc(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461316824 1067826918 /nfs/dbraw/zinc/82/69/18/1067826918.db2.gz JZYXWMMOVOBVPB-ZBLYBZFDSA-N 1 0 454.655 4.997 20 0 JJADRO O=C(N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326411 1067829158 /nfs/dbraw/zinc/82/91/58/1067829158.db2.gz AGVFAPBRFLQQTN-WOJBJXKFSA-N 1 0 455.332 4.587 20 0 JJADRO OC[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1)Cc1ccc(OC(F)(F)F)cc1 ZINC001461329665 1067830556 /nfs/dbraw/zinc/83/05/56/1067830556.db2.gz ANYKNEBEHCOCKD-AWEZNQCLSA-N 1 0 452.698 4.942 20 0 JJADRO O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001461337078 1067832241 /nfs/dbraw/zinc/83/22/41/1067832241.db2.gz YURMGNBNAFXUSZ-OALUTQOASA-N 1 0 453.435 4.880 20 0 JJADRO COc1cc(C[NH2+]C[C@]2(C)CCCS2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461339472 1067832893 /nfs/dbraw/zinc/83/28/93/1067832893.db2.gz KAPYCMMFIGSUDT-QFIPXVFZSA-N 1 0 452.979 4.881 20 0 JJADRO COc1cc(C[NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)ccc1OCc1c(C)noc1C ZINC001461339532 1067833466 /nfs/dbraw/zinc/83/34/66/1067833466.db2.gz KXTMTZZOCKCDRP-JOCHJYFZSA-N 1 0 452.551 4.645 20 0 JJADRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC001461342642 1067834295 /nfs/dbraw/zinc/83/42/95/1067834295.db2.gz VCGIDGJCOXVJHA-GOSISDBHSA-N 1 0 455.318 4.791 20 0 JJADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)C3(Sc4ccccc4)CCCC3)cc2)CC1 ZINC001461343537 1067834715 /nfs/dbraw/zinc/83/47/15/1067834715.db2.gz HNQXJFQSOCVYPO-UHFFFAOYSA-N 1 0 453.652 4.747 20 0 JJADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001461348108 1067835780 /nfs/dbraw/zinc/83/57/80/1067835780.db2.gz ZPGVBAISMWCJPX-UHFFFAOYSA-N 1 0 459.581 4.731 20 0 JJADRO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)C1CCCCC1 ZINC001461358867 1067838231 /nfs/dbraw/zinc/83/82/31/1067838231.db2.gz JIGLEHNYVARIPK-HSZRJFAPSA-N 1 0 459.631 4.518 20 0 JJADRO COc1ccc(C[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001461375569 1067841136 /nfs/dbraw/zinc/84/11/36/1067841136.db2.gz AQSRSVFIIZJHBI-AREMUKBSSA-N 1 0 455.599 4.796 20 0 JJADRO COc1cc(Br)c(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001461381222 1067842827 /nfs/dbraw/zinc/84/28/27/1067842827.db2.gz LBDPUDUTRWHMII-RCZSKKKRSA-N 1 0 459.428 4.857 20 0 JJADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC001461382634 1067843470 /nfs/dbraw/zinc/84/34/70/1067843470.db2.gz MZMDMAPJCNXMMI-KPZWWZAWSA-N 1 0 453.178 4.725 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001461394674 1067845436 /nfs/dbraw/zinc/84/54/36/1067845436.db2.gz VEICCJONFZYWOE-OFNKIYASSA-N 1 0 451.485 4.721 20 0 JJADRO CN1CC[C@H](C[NH2+]Cc2cccc(I)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461408078 1067848108 /nfs/dbraw/zinc/84/81/08/1067848108.db2.gz QFCLEUXDGMLRNL-BEFAXECRSA-N 1 0 458.746 4.866 20 0 JJADRO CN1CC[C@@H](C[NH2+]Cc2cccc(I)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461408089 1067848637 /nfs/dbraw/zinc/84/86/37/1067848637.db2.gz QFCLEUXDGMLRNL-HNAYVOBHSA-N 1 0 458.746 4.866 20 0 JJADRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC001461413591 1067849948 /nfs/dbraw/zinc/84/99/48/1067849948.db2.gz ZDCHPNFRVNLJJN-UHFFFAOYSA-N 1 0 450.482 4.795 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)c21 ZINC001461435332 1067855974 /nfs/dbraw/zinc/85/59/74/1067855974.db2.gz WHWZISWEGPTYLW-YIXXDRMTSA-N 1 0 454.586 4.987 20 0 JJADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CO)Cc2ccccc2C)c1 ZINC001461435655 1067855988 /nfs/dbraw/zinc/85/59/88/1067855988.db2.gz QIUXEASMQJSJFL-QHCPKHFHSA-N 1 0 457.574 4.558 20 0 JJADRO O=C1[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCN1Cc1ccc(F)cc1F ZINC001461436940 1067856259 /nfs/dbraw/zinc/85/62/59/1067856259.db2.gz RVIHYEYXJHVDKJ-FQEVSTJZSA-N 1 0 453.316 4.828 20 0 JJADRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1OCc1ccccc1 ZINC001461452275 1067860469 /nfs/dbraw/zinc/86/04/69/1067860469.db2.gz DIIOIUGWNNLBEE-DHIUTWEWSA-N 1 0 459.428 4.759 20 0 JJADRO CCc1oc2ccccc2c1C[NH2+]C[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F ZINC001461454575 1067860657 /nfs/dbraw/zinc/86/06/57/1067860657.db2.gz GXOYQMPUZCXWBQ-HXUWFJFHSA-N 1 0 455.521 4.568 20 0 JJADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1Br ZINC001461456281 1067860790 /nfs/dbraw/zinc/86/07/90/1067860790.db2.gz RQLJRRWUDMRITL-OYHNWAKOSA-N 1 0 452.364 4.583 20 0 JJADRO Clc1cc(C[NH2+]Cc2ccnn2CCc2ccccc2)ccc1I ZINC001461460213 1067862256 /nfs/dbraw/zinc/86/22/56/1067862256.db2.gz FSBZPPWUAGLLNF-UHFFFAOYSA-N 1 0 451.739 4.674 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C(C)(C)C1 ZINC001461461307 1067862369 /nfs/dbraw/zinc/86/23/69/1067862369.db2.gz KKYOZLNZJFQSPK-IBGZPJMESA-N 1 0 451.405 4.850 20 0 JJADRO OC[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)Cc1ccc(F)c(F)c1 ZINC001461461944 1067862571 /nfs/dbraw/zinc/86/25/71/1067862571.db2.gz QYPPDDQEMWVTTH-ZDUSSCGKSA-N 1 0 454.233 4.567 20 0 JJADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]Cc1ncc(Br)s1 ZINC001461463941 1067863046 /nfs/dbraw/zinc/86/30/46/1067863046.db2.gz ZNSQPGZIDQRIFV-JTQLQIEISA-N 1 0 451.171 4.621 20 0 JJADRO CC(C)(C)OC(=O)N1CCN([C@H](C[NH2+]Cc2cccc(C3CCCC3)c2)C(F)(F)F)CC1 ZINC001461468457 1067864944 /nfs/dbraw/zinc/86/49/44/1067864944.db2.gz YTJYIFBLLXTUMY-OAQYLSRUSA-N 1 0 455.565 4.917 20 0 JJADRO CC(=O)N(c1nc(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cs1)c1ccc(F)cc1 ZINC001461469269 1067865318 /nfs/dbraw/zinc/86/53/18/1067865318.db2.gz BGJDBFYYGATYAI-RUZDIDTESA-N 1 0 452.599 4.969 20 0 JJADRO CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1 ZINC001461489216 1067873552 /nfs/dbraw/zinc/87/35/52/1067873552.db2.gz WPCSVQWVIGOVPZ-UHFFFAOYSA-N 1 0 451.636 4.857 20 0 JJADRO C[C@@H](C[NH+](C)C)NCc1cc(Br)cc(Br)c1OCc1ccccc1 ZINC001461488179 1067873572 /nfs/dbraw/zinc/87/35/72/1067873572.db2.gz PJXAKXNPKOCQGY-AWEZNQCLSA-N 1 0 456.222 4.830 20 0 JJADRO CC[C@@]1([NH2+]Cc2ccc(OCCOc3cccc(Br)c3)c(OC)c2)CCOC1 ZINC001461488888 1067873662 /nfs/dbraw/zinc/87/36/62/1067873662.db2.gz PYVJZVKZVJIMEP-JOCHJYFZSA-N 1 0 450.373 4.574 20 0 JJADRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC001461489590 1067873863 /nfs/dbraw/zinc/87/38/63/1067873863.db2.gz AZMDTDCDTZDMFP-UHFFFAOYSA-N 1 0 459.377 4.690 20 0 JJADRO Fc1ccc(Oc2ccc(F)cc2C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c(Cl)c1 ZINC001461489807 1067874076 /nfs/dbraw/zinc/87/40/76/1067874076.db2.gz ZUXQSCCZQBWJQF-IBGZPJMESA-N 1 0 450.835 4.763 20 0 JJADRO COC(=O)c1cc(C[NH2+]Cc2cccc(Oc3cc(OC)cc(OC)c3)c2)n2c1CCCC2 ZINC001461495350 1067876010 /nfs/dbraw/zinc/87/60/10/1067876010.db2.gz PBJKWXOVGNWRTH-UHFFFAOYSA-N 1 0 450.535 4.710 20 0 JJADRO Cc1sc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)cc1Br ZINC001461513692 1067879403 /nfs/dbraw/zinc/87/94/03/1067879403.db2.gz NMSPNMLBZYNOGO-GFCCVEGCSA-N 1 0 451.199 4.661 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH2+]Cc2cc(-c3ccccn3)n[nH]2)C1 ZINC001461518569 1067880459 /nfs/dbraw/zinc/88/04/59/1067880459.db2.gz FHSDMHZBGSKEFU-DENIHFKCSA-N 1 0 465.573 4.741 20 0 JJADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)ccc1OCC(F)(F)F ZINC001461538765 1067884151 /nfs/dbraw/zinc/88/41/51/1067884151.db2.gz RIMLOINGUUSSIL-MRXNPFEDSA-N 1 0 451.489 4.797 20 0 JJADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC001461539193 1067884237 /nfs/dbraw/zinc/88/42/37/1067884237.db2.gz HMYMMRAWVGTRLW-QGZVFWFLSA-N 1 0 451.380 4.620 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)ccc1OCc1ccncc1 ZINC001461539275 1067884445 /nfs/dbraw/zinc/88/44/45/1067884445.db2.gz DUFPIBSXVCJRJP-HSZRJFAPSA-N 1 0 453.583 4.548 20 0 JJADRO Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC001461541745 1067884657 /nfs/dbraw/zinc/88/46/57/1067884657.db2.gz JEWDAJHUYXTTFX-UHFFFAOYSA-N 1 0 451.518 4.886 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCCn1cc(Br)cn1 ZINC001461543235 1067885065 /nfs/dbraw/zinc/88/50/65/1067885065.db2.gz NWLYJVAPBZGVJG-UHFFFAOYSA-N 1 0 457.203 4.686 20 0 JJADRO COCO[C@@H](C)c1cc(F)c(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1Br ZINC001461553169 1067887222 /nfs/dbraw/zinc/88/72/22/1067887222.db2.gz MNRHDZWGAXBHJZ-QKKBWIMNSA-N 1 0 457.359 4.801 20 0 JJADRO CN(C(=O)c1ccc(NCc2c(F)ccc(Br)c2F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001461564069 1067889400 /nfs/dbraw/zinc/88/94/00/1067889400.db2.gz JPRRPKUWDIUEJH-INIZCTEOSA-N 1 0 452.343 4.506 20 0 JJADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccc2)CCO1 ZINC001461577288 1067892480 /nfs/dbraw/zinc/89/24/80/1067892480.db2.gz XHABRMULESFUML-UNMCSNQZSA-N 1 0 456.384 4.772 20 0 JJADRO FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)C1 ZINC001461577083 1067892771 /nfs/dbraw/zinc/89/27/71/1067892771.db2.gz BHAMYKZHVOPANH-RBBKRZOGSA-N 1 0 478.946 4.735 20 0 JJADRO COc1cc(OCC[NH+](C)C)ccc1NCc1cn(-c2ccc(Br)cc2)nc1C ZINC001461582870 1067894181 /nfs/dbraw/zinc/89/41/81/1067894181.db2.gz JTGDWXFWBRVTEB-UHFFFAOYSA-N 1 0 459.388 4.504 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC001461591102 1067895714 /nfs/dbraw/zinc/89/57/14/1067895714.db2.gz HLAAMZNSYREYMI-ZJUUUORDSA-N 1 0 455.290 4.789 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001461598808 1067898665 /nfs/dbraw/zinc/89/86/65/1067898665.db2.gz MODVPMXGZFJPCP-WNMGUVTHSA-N 1 0 453.671 4.611 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccc(N(C)C(C)C)nc2)cc1 ZINC001461624100 1067904115 /nfs/dbraw/zinc/90/41/15/1067904115.db2.gz FZVOJGTZXJEHBM-ZEQRLZLVSA-N 1 0 468.642 4.818 20 0 JJADRO CCCCOc1c(Cl)cc(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cc1OCC ZINC001461634189 1067906448 /nfs/dbraw/zinc/90/64/48/1067906448.db2.gz OIIJJMCEEGWKIR-IBGZPJMESA-N 1 0 453.023 4.633 20 0 JJADRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)cc1 ZINC001461645302 1067908432 /nfs/dbraw/zinc/90/84/32/1067908432.db2.gz BXFUMSGPEKAXLB-JTHBVZDNSA-N 1 0 465.421 4.749 20 0 JJADRO C[C@](CO)([NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001461643800 1067908481 /nfs/dbraw/zinc/90/84/81/1067908481.db2.gz OYMVLVJXDAKHEW-OAQYLSRUSA-N 1 0 453.892 4.632 20 0 JJADRO C[C@@](CO)([NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001461643798 1067908603 /nfs/dbraw/zinc/90/86/03/1067908603.db2.gz OYMVLVJXDAKHEW-NRFANRHFSA-N 1 0 453.892 4.632 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001461648091 1067909310 /nfs/dbraw/zinc/90/93/10/1067909310.db2.gz UBYIRTQTTWVCQP-QFIPXVFZSA-N 1 0 459.421 4.850 20 0 JJADRO CN(CCCC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1)C(=O)OC(C)(C)C ZINC001461663294 1067912911 /nfs/dbraw/zinc/91/29/11/1067912911.db2.gz NURLDUVBDBGOCZ-UHFFFAOYSA-N 1 0 458.430 4.721 20 0 JJADRO CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC001546126115 1067914292 /nfs/dbraw/zinc/91/42/92/1067914292.db2.gz RBFRJPNAHAVMRK-HXUWFJFHSA-N 1 0 473.637 4.685 20 0 JJADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001461668006 1067914309 /nfs/dbraw/zinc/91/43/09/1067914309.db2.gz AIZGSHRCSZIVAO-DEOSSOPVSA-N 1 0 450.380 4.871 20 0 JJADRO CCOc1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc(Br)c1OC(F)F ZINC001461671257 1067915094 /nfs/dbraw/zinc/91/50/94/1067915094.db2.gz KTAOUCFHQCIXFU-HNNXBMFYSA-N 1 0 450.707 4.926 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC001461690274 1067919157 /nfs/dbraw/zinc/91/91/57/1067919157.db2.gz DANZBMKAWMIMQO-FQEVSTJZSA-N 1 0 452.755 4.949 20 0 JJADRO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001461699048 1067920873 /nfs/dbraw/zinc/92/08/73/1067920873.db2.gz HHSXGRQUJVXOII-MAUKXSAKSA-N 1 0 467.359 4.939 20 0 JJADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001461697702 1067920894 /nfs/dbraw/zinc/92/08/94/1067920894.db2.gz AUOIENHLKFYETH-BEFAXECRSA-N 1 0 450.446 4.836 20 0 JJADRO Brc1ccc2c(c1)C=C(C[NH2+][C@@H]1COc3cccc(Br)c3C1)CO2 ZINC001461703123 1067921965 /nfs/dbraw/zinc/92/19/65/1067921965.db2.gz NBYOTHKZTXXSFQ-HNNXBMFYSA-N 1 0 451.158 4.581 20 0 JJADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC001461707655 1067922727 /nfs/dbraw/zinc/92/27/27/1067922727.db2.gz BYFDFGPHUWPIOV-INIZCTEOSA-N 1 0 458.581 4.908 20 0 JJADRO COc1cc(C[NH2+]C(C2CCCCC2)C2CCCCC2)ccc1OCC(=O)N1CCOCC1 ZINC001461710826 1067923194 /nfs/dbraw/zinc/92/31/94/1067923194.db2.gz PGVHGXNSNRBHLD-UHFFFAOYSA-N 1 0 458.643 4.552 20 0 JJADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC001461729812 1067927012 /nfs/dbraw/zinc/92/70/12/1067927012.db2.gz RTTBWJMJJAMJFU-GOSISDBHSA-N 1 0 457.924 4.918 20 0 JJADRO COc1ncc(Br)cc1CNc1ccc(C[N@H+](C)CCOc2ccccc2)cc1 ZINC001461750831 1067930334 /nfs/dbraw/zinc/93/03/34/1067930334.db2.gz CBYZTYIFBQCECH-UHFFFAOYSA-N 1 0 456.384 4.976 20 0 JJADRO CC(C)Oc1ccc(C[NH2+]Cc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC001461751794 1067930636 /nfs/dbraw/zinc/93/06/36/1067930636.db2.gz JDCXOOJQBZAHDH-UHFFFAOYSA-N 1 0 453.627 4.816 20 0 JJADRO CCO/C=C/[C@](O)(C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)C(F)(F)F ZINC001461779851 1067935657 /nfs/dbraw/zinc/93/56/57/1067935657.db2.gz XGKLITHRLFHOSB-WAVCKPEOSA-N 1 0 451.308 4.506 20 0 JJADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1ccc(-c3cccc(Br)c3)o1)CC2 ZINC001461820490 1067941666 /nfs/dbraw/zinc/94/16/66/1067941666.db2.gz VYPXQNPRVRMAIJ-AWEZNQCLSA-N 1 0 451.162 4.773 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH2+]C1CCN(Cc3ccccc3Br)CC1)C2 ZINC001461820912 1067941782 /nfs/dbraw/zinc/94/17/82/1067941782.db2.gz YABSMAHHANCCFH-GIVPXCGWSA-N 1 0 464.448 4.544 20 0 JJADRO COc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc(Br)c1O ZINC001461821871 1067941995 /nfs/dbraw/zinc/94/19/95/1067941995.db2.gz XULPTINRWKLCNE-HNNXBMFYSA-N 1 0 457.409 4.680 20 0 JJADRO FC(F)(F)c1ccc(NCC[NH2+]Cc2cc(Br)sc2Br)nc1 ZINC001461823728 1067942159 /nfs/dbraw/zinc/94/21/59/1067942159.db2.gz APTDBCBIGAYYBT-UHFFFAOYSA-N 1 0 459.129 4.889 20 0 JJADRO Cc1c(Cl)cccc1OCC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001461831076 1067943360 /nfs/dbraw/zinc/94/33/60/1067943360.db2.gz MVZIRDCEGDVXLP-QGZVFWFLSA-N 1 0 451.792 4.699 20 0 JJADRO Cc1cc(Oc2cc(Cl)ccc2C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1F ZINC001461839263 1067945051 /nfs/dbraw/zinc/94/50/51/1067945051.db2.gz ZADOWLZNGDXKAL-LAUBAEHRSA-N 1 0 464.965 4.897 20 0 JJADRO Cn1cc(-c2ccc(C[NH+]3CCC(C(=O)Nc4ccc(Br)cc4)CC3)cc2)cn1 ZINC001461840453 1067945056 /nfs/dbraw/zinc/94/50/56/1067945056.db2.gz CYAIUDKVMDKXEO-UHFFFAOYSA-N 1 0 453.384 4.700 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)n2)cc1 ZINC001461849748 1067946600 /nfs/dbraw/zinc/94/66/00/1067946600.db2.gz NBPBJTOVNLJPGV-VQTJNVASSA-N 1 0 451.489 4.983 20 0 JJADRO Cc1cc(OCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)ccc1Br ZINC001461855973 1067948100 /nfs/dbraw/zinc/94/81/00/1067948100.db2.gz LVSZXBJHJNGUKU-HXUWFJFHSA-N 1 0 457.412 4.555 20 0 JJADRO Cc1cc(CN(C)C[C@H](O)COc2ccccc2C(F)(F)F)c(Br)cc1F ZINC001461871772 1067951773 /nfs/dbraw/zinc/95/17/73/1067951773.db2.gz JTJUQJPNWHAEON-AWEZNQCLSA-N 1 0 450.270 4.787 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC001461875868 1067952571 /nfs/dbraw/zinc/95/25/71/1067952571.db2.gz YDCFZTGPGMOFDK-OAQYLSRUSA-N 1 0 457.412 4.654 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)CC[C@@H]2CCCO2)c1 ZINC001461881537 1067953590 /nfs/dbraw/zinc/95/35/90/1067953590.db2.gz DUTNEIRUJUFCHN-SJORKVTESA-N 1 0 458.430 4.597 20 0 JJADRO CCc1ncoc1C(=O)Nc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(Cl)c1Cl ZINC001461882591 1067954140 /nfs/dbraw/zinc/95/41/40/1067954140.db2.gz HDNJQXZPHHKBKT-AWEZNQCLSA-N 1 0 455.386 4.502 20 0 JJADRO Cc1cncc(C(=O)Nc2cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(Cl)c2Cl)c1 ZINC001461888196 1067955016 /nfs/dbraw/zinc/95/50/16/1067955016.db2.gz ZJNBZXZZLVVXNQ-KRWDZBQOSA-N 1 0 451.398 4.655 20 0 JJADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)Cc2ccccc2)c1 ZINC001461888223 1067955057 /nfs/dbraw/zinc/95/50/57/1067955057.db2.gz ZMBAUXYMDOOXJF-SFHVURJKSA-N 1 0 450.410 4.881 20 0 JJADRO Cc1ccccc1C[N@H+](Cc1ccccc1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001461893694 1067956240 /nfs/dbraw/zinc/95/62/40/1067956240.db2.gz FUIMSXQQEVZWGD-UHFFFAOYSA-N 1 0 459.409 4.607 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC001461900451 1067957955 /nfs/dbraw/zinc/95/79/55/1067957955.db2.gz RMCQAKFJURXDGI-UHFFFAOYSA-N 1 0 458.002 4.713 20 0 JJADRO CC(C)COC(=O)N1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC001461912639 1067960047 /nfs/dbraw/zinc/96/00/47/1067960047.db2.gz UNLFCHDTZGSXDQ-UHFFFAOYSA-N 1 0 450.558 4.979 20 0 JJADRO C[C@@H](C[N@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O)c1ccccc1 ZINC001461912685 1067960205 /nfs/dbraw/zinc/96/02/05/1067960205.db2.gz HCWGOLXYXZDZQJ-INIZCTEOSA-N 1 0 456.471 4.821 20 0 JJADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC001461928360 1067962312 /nfs/dbraw/zinc/96/23/12/1067962312.db2.gz RPOLSAQDBFGFDM-BJKOFHAPSA-N 1 0 457.659 4.627 20 0 JJADRO COC1CCC(C[NH+]2CCN([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)CC1 ZINC001461953705 1067968264 /nfs/dbraw/zinc/96/82/64/1067968264.db2.gz JBTNGSCABIOXPP-VXESANQCSA-N 1 0 452.521 4.639 20 0 JJADRO COC(=O)c1ccc(C[N@H+](C)CCOc2ccc(Br)cc2)cc1Br ZINC001462003861 1067978624 /nfs/dbraw/zinc/97/86/24/1067978624.db2.gz YXBQNQKZYQURHU-UHFFFAOYSA-N 1 0 457.162 4.509 20 0 JJADRO CCOc1ccccc1C[N@H+](CCCn1ccnc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001462026204 1067984115 /nfs/dbraw/zinc/98/41/15/1067984115.db2.gz ZPGRXBBEGYPTHT-QFIPXVFZSA-N 1 0 456.631 4.821 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC001462047857 1067989482 /nfs/dbraw/zinc/98/94/82/1067989482.db2.gz FIVOQCLUFIYYCV-GOSISDBHSA-N 1 0 454.785 4.806 20 0 JJADRO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(Br)cc3)C2)n1 ZINC001462079343 1067997561 /nfs/dbraw/zinc/99/75/61/1067997561.db2.gz FGDVBQHEJSCPDM-INIZCTEOSA-N 1 0 454.294 4.892 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@H](CCO)c3ccccc3Br)C2)CC1 ZINC001462084071 1067998380 /nfs/dbraw/zinc/99/83/80/1067998380.db2.gz KHEXHKDWJCIKFY-LJQANCHMSA-N 1 0 453.421 4.642 20 0 JJADRO CCOc1cc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc(Br)c1O ZINC001462090095 1067999590 /nfs/dbraw/zinc/99/95/90/1067999590.db2.gz VWMKTUFEUHYLQA-UNMCSNQZSA-N 1 0 452.364 4.556 20 0 JJADRO COC(=O)c1cc(Br)oc1C[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001462093941 1068001207 /nfs/dbraw/zinc/00/12/07/1068001207.db2.gz JHQZOOQOHKWYJD-UHFFFAOYSA-N 1 0 450.226 4.808 20 0 JJADRO COC(=O)c1cnc(Cl)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001462097145 1068001651 /nfs/dbraw/zinc/00/16/51/1068001651.db2.gz QYHQSNPUBQZBRX-QFQXNSOFSA-N 1 0 463.965 4.550 20 0 JJADRO CCOC(=O)c1cnn2cc(C[N@H+](C)C[C@H](CC)Oc3ccc(Cl)c(Cl)c3)cnc12 ZINC001462106311 1068004358 /nfs/dbraw/zinc/00/43/58/1068004358.db2.gz VMFVMQXLZFJBSN-HNNXBMFYSA-N 1 0 451.354 4.502 20 0 JJADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2I)[C@H]1Oc1ccccc1 ZINC001462117745 1068007773 /nfs/dbraw/zinc/00/77/73/1068007773.db2.gz OENBFEVRUXEKAM-GUDVDZBRSA-N 1 0 457.739 4.659 20 0 JJADRO CCOC(=O)[C@H](NC1CC[NH+](Cc2ccccc2Br)CC1)c1cccc(C)c1C ZINC001462118543 1068007921 /nfs/dbraw/zinc/00/79/21/1068007921.db2.gz PVLIDCKGFOEIPZ-HSZRJFAPSA-N 1 0 459.428 4.924 20 0 JJADRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC001462118868 1068008582 /nfs/dbraw/zinc/00/85/82/1068008582.db2.gz IWESXXLJVKKLJE-LPHOPBHVSA-N 1 0 457.405 4.985 20 0 JJADRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc(Br)cc(Br)c1N ZINC001462120286 1068008834 /nfs/dbraw/zinc/00/88/34/1068008834.db2.gz UMOPWFDCEDJJHH-IBGZPJMESA-N 1 0 456.222 4.957 20 0 JJADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001462124707 1068010783 /nfs/dbraw/zinc/01/07/83/1068010783.db2.gz PNPWRJFWRFJLHT-FXAWDEMLSA-N 1 0 453.583 4.668 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001462124818 1068010823 /nfs/dbraw/zinc/01/08/23/1068010823.db2.gz PTGFJCRLJMACTO-GHTZIAJQSA-N 1 0 452.986 4.597 20 0 JJADRO OC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)cc1C(F)(F)F ZINC001462152271 1068016685 /nfs/dbraw/zinc/01/66/85/1068016685.db2.gz SVJSKIMMXXUTOH-YLJYHZDGSA-N 1 0 457.334 4.756 20 0 JJADRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(I)c(Cl)c2)c(C)c1OC ZINC001462151606 1068016710 /nfs/dbraw/zinc/01/67/10/1068016710.db2.gz MDOCCQWYRYNGTG-GFCCVEGCSA-N 1 0 459.755 4.991 20 0 JJADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462153809 1068017673 /nfs/dbraw/zinc/01/76/73/1068017673.db2.gz DJJOTCSNXYCLIE-KZULUSFZSA-N 1 0 458.183 4.918 20 0 JJADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462158839 1068018740 /nfs/dbraw/zinc/01/87/40/1068018740.db2.gz RTGCDWGSAYMWTJ-FZKQIMNGSA-N 1 0 452.190 4.538 20 0 JJADRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)ccc1I ZINC001462161023 1068019451 /nfs/dbraw/zinc/01/94/51/1068019451.db2.gz HAEVWIDXVOMBDI-CRAIPNDOSA-N 1 0 458.384 4.867 20 0 JJADRO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)ccc1I ZINC001462161024 1068019479 /nfs/dbraw/zinc/01/94/79/1068019479.db2.gz HAEVWIDXVOMBDI-MAUKXSAKSA-N 1 0 458.384 4.867 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001462165646 1068020097 /nfs/dbraw/zinc/02/00/97/1068020097.db2.gz XREKIDPPMRITQH-PGRDOPGGSA-N 1 0 452.437 4.655 20 0 JJADRO Brc1cccc(OCC[N@@H+](Cc2cccc3c2OCO3)C[C@@H]2CCCS2)c1 ZINC001462169980 1068021044 /nfs/dbraw/zinc/02/10/44/1068021044.db2.gz LBAGSHAOBQNXLE-IBGZPJMESA-N 1 0 450.398 4.954 20 0 JJADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC001462171804 1068021560 /nfs/dbraw/zinc/02/15/60/1068021560.db2.gz VNFGUZKVWKUCSA-ZBFHGGJFSA-N 1 0 452.382 4.596 20 0 JJADRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)CCc2ccc(I)cc2)cc1O ZINC001462189076 1068025261 /nfs/dbraw/zinc/02/52/61/1068025261.db2.gz HWRFOYQQFZLYHD-HZPDHXFCSA-N 1 0 453.364 4.937 20 0 JJADRO COCCc1ccc(OC[C@H](C)[NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001462189738 1068025623 /nfs/dbraw/zinc/02/56/23/1068025623.db2.gz PWENTTPYMLZCKU-KKSFZXQISA-N 1 0 451.394 4.735 20 0 JJADRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)CCc2ccc(I)cc2)cc1O ZINC001462189084 1068025708 /nfs/dbraw/zinc/02/57/08/1068025708.db2.gz HWRFOYQQFZLYHD-JKSUJKDBSA-N 1 0 453.364 4.937 20 0 JJADRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2Br)c(Br)c1 ZINC001462200950 1068028186 /nfs/dbraw/zinc/02/81/86/1068028186.db2.gz SFTVYUPGQXQBKW-LLVKDONJSA-N 1 0 459.153 4.858 20 0 JJADRO COc1ccc(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)c(OCc2cccnc2)c1 ZINC001462216714 1068030579 /nfs/dbraw/zinc/03/05/79/1068030579.db2.gz IPZORIFUXWMFHE-HSZRJFAPSA-N 1 0 453.583 4.693 20 0 JJADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001462220911 1068031369 /nfs/dbraw/zinc/03/13/69/1068031369.db2.gz SEKBTMVBPDQHQV-FDDCHVKYSA-N 1 0 453.583 4.536 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001462227426 1068033005 /nfs/dbraw/zinc/03/30/05/1068033005.db2.gz DFFZTHDWYSXEFV-DEOSSOPVSA-N 1 0 451.652 4.747 20 0 JJADRO COCC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)c1cccc(C(F)(F)F)c1 ZINC001462234233 1068034710 /nfs/dbraw/zinc/03/47/10/1068034710.db2.gz GAIPXOYNTSMGEZ-YWZLYKJASA-N 1 0 452.473 4.577 20 0 JJADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)cc1OC ZINC001462245847 1068037364 /nfs/dbraw/zinc/03/73/64/1068037364.db2.gz FVHDRTWIUMKXHI-NXHRZFHOSA-N 1 0 450.417 4.708 20 0 JJADRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccccc3OCc3ccc(F)cc3F)CC2)c1 ZINC001462249074 1068037955 /nfs/dbraw/zinc/03/79/55/1068037955.db2.gz KEGNGBAEKJSKKR-UHFFFAOYSA-N 1 0 455.505 4.754 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001462249102 1068038191 /nfs/dbraw/zinc/03/81/91/1068038191.db2.gz RKNVPKWJCVGXPK-PCCBWWKXSA-N 1 0 451.652 4.603 20 0 JJADRO CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C ZINC001462258512 1068040363 /nfs/dbraw/zinc/04/03/63/1068040363.db2.gz JKLMLTQGUOHPKK-STQMWFEESA-N 1 0 451.917 4.969 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462268893 1068041539 /nfs/dbraw/zinc/04/15/39/1068041539.db2.gz GABMIKRDYVQWFC-OZXSUGGESA-N 1 0 456.696 4.859 20 0 JJADRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462272528 1068042115 /nfs/dbraw/zinc/04/21/15/1068042115.db2.gz CMEZJEMDYJXNST-RTBURBONSA-N 1 0 455.599 4.814 20 0 JJADRO CCc1ccccc1[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(OC)c1)NC(=O)OC(C)(C)C ZINC001462318969 1068050047 /nfs/dbraw/zinc/05/00/47/1068050047.db2.gz YETJKQIDDOZZLY-FDDCHVKYSA-N 1 0 455.599 4.830 20 0 JJADRO CCOc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462349139 1068056512 /nfs/dbraw/zinc/05/65/12/1068056512.db2.gz SRLHQXUMJATMCI-XMMPIXPASA-N 1 0 457.567 4.681 20 0 JJADRO C[C@@H]1[C@H]([NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001462354923 1068057878 /nfs/dbraw/zinc/05/78/78/1068057878.db2.gz FDKUGACAHMQLEE-QYRPDUKASA-N 1 0 466.464 4.962 20 0 JJADRO COCc1ccccc1/C=C(\C)C[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001462359252 1068059077 /nfs/dbraw/zinc/05/90/77/1068059077.db2.gz AXYOSCPLYJDQAE-CMXQABAWSA-N 1 0 458.396 4.887 20 0 JJADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)c(Cl)c1 ZINC001462361203 1068059713 /nfs/dbraw/zinc/05/97/13/1068059713.db2.gz MBSMVXGEXRNCRT-YLJYHZDGSA-N 1 0 450.808 4.775 20 0 JJADRO COc1cccc(Sc2ccccc2C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1 ZINC001462382649 1068063429 /nfs/dbraw/zinc/06/34/29/1068063429.db2.gz IHRGZEWWNPBEPU-UHFFFAOYSA-N 1 0 458.624 4.698 20 0 JJADRO CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001462398221 1068065666 /nfs/dbraw/zinc/06/56/66/1068065666.db2.gz RGEXCOIFLDXXRU-FYSPASCKSA-N 1 0 455.558 4.512 20 0 JJADRO CCOC(=O)c1ccc(-c2ccc(C[NH+]3CCC4(CN(C(=O)OC(C)(C)C)C4)CC3)o2)cc1 ZINC001462404237 1068066471 /nfs/dbraw/zinc/06/64/71/1068066471.db2.gz MZPGEBDWOFNRKW-UHFFFAOYSA-N 1 0 454.567 4.956 20 0 JJADRO CC(C)(C)OC(=O)NCC1(CC[NH2+][C@@H]2CC[C@@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001462403315 1068066704 /nfs/dbraw/zinc/06/67/04/1068066704.db2.gz JDVJPNIKEREJJR-VAMGGRTRSA-N 1 0 451.652 4.839 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410554 1068067919 /nfs/dbraw/zinc/06/79/19/1068067919.db2.gz ZVTFQUVYSPDMRK-MBOZVWFJSA-N 1 0 458.521 4.711 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)C1 ZINC001462409588 1068068072 /nfs/dbraw/zinc/06/80/72/1068068072.db2.gz VKDUKHSYTRQZGT-SXLOBPIMSA-N 1 0 453.421 4.733 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001462409931 1068068280 /nfs/dbraw/zinc/06/82/80/1068068280.db2.gz XQKFIKCTGFJKRS-SFHLNBCPSA-N 1 0 454.558 4.615 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)C1 ZINC001462409585 1068068356 /nfs/dbraw/zinc/06/83/56/1068068356.db2.gz VKDUKHSYTRQZGT-RLLQIKCJSA-N 1 0 453.421 4.733 20 0 JJADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)C1 ZINC001462413686 1068069645 /nfs/dbraw/zinc/06/96/45/1068069645.db2.gz VBSMSBSETBJVCK-UXHICEINSA-N 1 0 454.558 4.900 20 0 JJADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)C1 ZINC001462413700 1068070121 /nfs/dbraw/zinc/07/01/21/1068070121.db2.gz VBSMSBSETBJVCK-WOJBJXKFSA-N 1 0 454.558 4.900 20 0 JJADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl ZINC001462418562 1068070514 /nfs/dbraw/zinc/07/05/14/1068070514.db2.gz OMAGURRWIBENQP-UHFFFAOYSA-N 1 0 458.817 4.891 20 0 JJADRO C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001462424758 1068071762 /nfs/dbraw/zinc/07/17/62/1068071762.db2.gz GLTUSPSQGZAGAP-GGAORHGYSA-N 1 0 457.659 4.771 20 0 JJADRO CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC001462439925 1068074688 /nfs/dbraw/zinc/07/46/88/1068074688.db2.gz QBHAADGBEGNPNS-LUYSREMJSA-N 1 0 451.652 4.932 20 0 JJADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001462438814 1068074712 /nfs/dbraw/zinc/07/47/12/1068074712.db2.gz OBWAVPLPWNYLNC-FHLIZLRMSA-N 1 0 481.659 4.636 20 0 JJADRO COc1ncc(Br)cc1C[NH2+]CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001462442493 1068075054 /nfs/dbraw/zinc/07/50/54/1068075054.db2.gz OSNUCAVCOWXZIR-DODVFSASSA-N 1 0 454.409 4.511 20 0 JJADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC001462444139 1068075576 /nfs/dbraw/zinc/07/55/76/1068075576.db2.gz ZSUUCYPIHJIPBM-UAGQMJEPSA-N 1 0 459.450 4.713 20 0 JJADRO Cc1ccc([C@H]2CCC[C@H]2[NH2+]C2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001462450247 1068076935 /nfs/dbraw/zinc/07/69/35/1068076935.db2.gz WWEKLXMMTIFMNH-DNQXCXABSA-N 1 0 457.659 4.859 20 0 JJADRO CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001462460129 1068078623 /nfs/dbraw/zinc/07/86/23/1068078623.db2.gz BFNAIQBDXHSQNT-FQEVSTJZSA-N 1 0 458.400 4.773 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+][C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)C1 ZINC001462477070 1068081802 /nfs/dbraw/zinc/08/18/02/1068081802.db2.gz CTJIAVPKIJKUKA-WKGYELDXSA-N 1 0 451.652 4.647 20 0 JJADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH+]2CCC3(CCSCC3)CC2)c1 ZINC001462483981 1068083140 /nfs/dbraw/zinc/08/31/40/1068083140.db2.gz KRIDVFCJAFNPSB-UHFFFAOYSA-N 1 0 459.483 4.814 20 0 JJADRO CCOC(=O)Cn1cc(C[N@H+]2CC=C(c3ccc(Cl)cc3C)CC2)c(-c2cccnc2)n1 ZINC001462492047 1068084538 /nfs/dbraw/zinc/08/45/38/1068084538.db2.gz UOFOIZXHVYDHJM-UHFFFAOYSA-N 1 0 450.970 4.759 20 0 JJADRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)o1 ZINC001462497777 1068085778 /nfs/dbraw/zinc/08/57/78/1068085778.db2.gz VKJBKCVAINKEJB-ZYOFANERSA-N 1 0 454.567 4.999 20 0 JJADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001462511194 1068088111 /nfs/dbraw/zinc/08/81/11/1068088111.db2.gz VXQLQGPXXNSUSN-AYOQOUSVSA-N 1 0 455.521 4.578 20 0 JJADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462516780 1068089448 /nfs/dbraw/zinc/08/94/48/1068089448.db2.gz FQPOAVYTVUUPOL-ROUUACIJSA-N 1 0 452.039 4.702 20 0 JJADRO Cn1cc(C[N@H+](CCc2ccccc2)CCC(C)(C)C)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001462533825 1068093165 /nfs/dbraw/zinc/09/31/65/1068093165.db2.gz LFMNNCKXZBHCTH-UHFFFAOYSA-N 1 0 458.606 4.697 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538675 1068093929 /nfs/dbraw/zinc/09/39/29/1068093929.db2.gz ZBLIVUITMOUREA-CLOONOSVSA-N 1 0 457.640 4.961 20 0 JJADRO COc1ccc(C2=NO[C@H](C[NH2+][C@@H]3CC[C@H]4[C@H](CCCN4C(=O)OC(C)(C)C)C3)C2)cc1C ZINC001462548875 1068095878 /nfs/dbraw/zinc/09/58/78/1068095878.db2.gz GICXUNQGHPDBMV-JFYQVNSESA-N 1 0 457.615 4.654 20 0 JJADRO CCC1(NC(=O)OC(C)(C)C)CC[NH+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001462548671 1068096021 /nfs/dbraw/zinc/09/60/21/1068096021.db2.gz WELHOVWAKWSHJX-UHFFFAOYSA-N 1 0 459.631 4.805 20 0 JJADRO O[C@@H](C[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1)Cc1ccccc1F ZINC001462588607 1068105841 /nfs/dbraw/zinc/10/58/41/1068105841.db2.gz UCAXKUUGULCRMB-OAHLLOKOSA-N 1 0 457.334 4.550 20 0 JJADRO CN1C(=O)CCc2cc(C[NH+]3CCC([C@H]4CCCN(C(=O)OC(C)(C)C)CC4)CC3)ccc21 ZINC001462624059 1068115640 /nfs/dbraw/zinc/11/56/40/1068115640.db2.gz ULXREXMITIIVHW-NRFANRHFSA-N 1 0 455.643 4.845 20 0 JJADRO CCCCS(=O)(=O)c1ccc(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)cc1 ZINC001462623716 1068115771 /nfs/dbraw/zinc/11/57/71/1068115771.db2.gz IMYYJDHJBXBAJR-UHFFFAOYSA-N 1 0 456.652 4.825 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC001462630220 1068117475 /nfs/dbraw/zinc/11/74/75/1068117475.db2.gz RETPZUIKPXVSII-CYBMUJFWSA-N 1 0 455.422 4.637 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(Sc3ccccn3)o1)CC2 ZINC001462632381 1068118771 /nfs/dbraw/zinc/11/87/71/1068118771.db2.gz JIIUBTYGXNSZEH-IBGZPJMESA-N 1 0 459.612 4.722 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C2 ZINC001462638278 1068120941 /nfs/dbraw/zinc/12/09/41/1068120941.db2.gz RRSOXJPJVLVLEM-VROINQGHSA-N 1 0 471.642 4.910 20 0 JJADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC001462642953 1068122438 /nfs/dbraw/zinc/12/24/38/1068122438.db2.gz HFBRJZLPCQXBNZ-YILSLVNCSA-N 1 0 456.549 4.637 20 0 JJADRO COCOc1ccc(OC)cc1C[NH+]1CCC(OCc2ccc(Br)cc2)CC1 ZINC001462671018 1068127734 /nfs/dbraw/zinc/12/77/34/1068127734.db2.gz SKYGYOORHKLWJH-UHFFFAOYSA-N 1 0 450.373 4.622 20 0 JJADRO O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001462691363 1068132910 /nfs/dbraw/zinc/13/29/10/1068132910.db2.gz UMKDXAUOTZCGNC-ANTGDGSKSA-N 1 0 452.542 4.580 20 0 JJADRO Cc1c(C(=O)Nc2ccc(C[NH+](C)C)c(C(F)(F)F)c2)nnn1-c1ccc(F)c(Cl)c1 ZINC001462727053 1068144757 /nfs/dbraw/zinc/14/47/57/1068144757.db2.gz CFSRHWVPSVMHTA-UHFFFAOYSA-N 1 0 455.843 4.701 20 0 JJADRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001462731958 1068147121 /nfs/dbraw/zinc/14/71/21/1068147121.db2.gz VUEAVXVEVVOKFQ-LJQANCHMSA-N 1 0 453.530 4.756 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1C(F)(F)F ZINC001462732634 1068147274 /nfs/dbraw/zinc/14/72/74/1068147274.db2.gz ZBVZMDCNMHDXSX-UHFFFAOYSA-N 1 0 457.378 4.619 20 0 JJADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc(Cl)c(Br)cc1C)c1ccccc1 ZINC001462742790 1068151728 /nfs/dbraw/zinc/15/17/28/1068151728.db2.gz VGORGACBAIQZFL-GOSISDBHSA-N 1 0 459.837 4.772 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2cnc(Cl)cc2Cl)cc1 ZINC001462781745 1068166875 /nfs/dbraw/zinc/16/68/75/1068166875.db2.gz JQZGIRQOPFBNTH-UHFFFAOYSA-N 1 0 450.391 4.596 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)c1sc2ccccc2c1Cl ZINC001462822086 1068177412 /nfs/dbraw/zinc/17/74/12/1068177412.db2.gz FIYWSCAIAJZOHR-UHFFFAOYSA-N 1 0 453.029 4.754 20 0 JJADRO O=C(CCCOc1cccc(Br)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001462828097 1068180264 /nfs/dbraw/zinc/18/02/64/1068180264.db2.gz AZOQNUSHKMDYKO-RTWAWAEBSA-N 1 0 457.412 4.589 20 0 JJADRO O=C(CCSc1ccccc1Br)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001462830205 1068181493 /nfs/dbraw/zinc/18/14/93/1068181493.db2.gz KQVMUWUUUBBYAT-UXHICEINSA-N 1 0 459.453 4.912 20 0 JJADRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899354 1068208087 /nfs/dbraw/zinc/20/80/87/1068208087.db2.gz XHQBJWUMXCIDAX-SIKLNZKXSA-N 1 0 457.640 4.517 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC001462912788 1068212615 /nfs/dbraw/zinc/21/26/15/1068212615.db2.gz ORVLGGZXHFONRK-UHFFFAOYSA-N 1 0 455.329 4.765 20 0 JJADRO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003790 1068246409 /nfs/dbraw/zinc/24/64/09/1068246409.db2.gz VRSVOLLEQRQZCG-IVZQSRNASA-N 1 0 452.904 4.907 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC001463005607 1068247413 /nfs/dbraw/zinc/24/74/13/1068247413.db2.gz FNYIXLVKJSJOBN-UHFFFAOYSA-N 1 0 458.571 4.831 20 0 JJADRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1ccccc1 ZINC001463019101 1068253721 /nfs/dbraw/zinc/25/37/21/1068253721.db2.gz HROIBYPJTLHEGM-ZDUSSCGKSA-N 1 0 450.910 4.646 20 0 JJADRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2cccc3c2cccc3N(C)C)CCCC1)c1ccccc1 ZINC001463035656 1068258970 /nfs/dbraw/zinc/25/89/70/1068258970.db2.gz NHZNJRCTCGVSSN-FQEVSTJZSA-N 1 0 451.636 4.848 20 0 JJADRO C[C@@]1(NC(=O)c2cncc(Br)c2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463146615 1068302730 /nfs/dbraw/zinc/30/27/30/1068302730.db2.gz GBLHVSBLODTJQA-LADGPHEKSA-N 1 0 450.380 4.632 20 0 JJADRO Cc1nn(C(F)F)c(C)c1CC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463151204 1068304268 /nfs/dbraw/zinc/30/42/68/1068304268.db2.gz UXXMLIMLQOSSIC-JYFHCDHNSA-N 1 0 452.549 4.612 20 0 JJADRO COc1ccc(/C=C\C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC001463150895 1068304338 /nfs/dbraw/zinc/30/43/38/1068304338.db2.gz RXEQWPADWOQTCP-LTJHWNRFSA-N 1 0 456.586 4.892 20 0 JJADRO CC(C)[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1cnn(C)c1 ZINC001463190855 1068314913 /nfs/dbraw/zinc/31/49/13/1068314913.db2.gz INFWQQGZLNCDSA-ISJGIBHGSA-N 1 0 451.014 4.803 20 0 JJADRO CCC(CC)(CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)SC ZINC001463201488 1068318691 /nfs/dbraw/zinc/31/86/91/1068318691.db2.gz CSUVOAXNUUMWSE-BJKOFHAPSA-N 1 0 460.709 4.804 20 0 JJADRO Cc1cc(S(=O)(=O)NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)sc1Cl ZINC001463218738 1068324211 /nfs/dbraw/zinc/32/42/11/1068324211.db2.gz JNXQHIKKVWVSGB-UHFFFAOYSA-N 1 0 457.061 4.832 20 0 JJADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001463295998 1068348631 /nfs/dbraw/zinc/34/86/31/1068348631.db2.gz KPUDFUVQXKNAPN-SFHVURJKSA-N 1 0 457.478 4.564 20 0 JJADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001463345191 1068364280 /nfs/dbraw/zinc/36/42/80/1068364280.db2.gz VJJQMQKUHYJYTM-ASLXYRGWSA-N 1 0 451.636 4.543 20 0 JJADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001463345211 1068365282 /nfs/dbraw/zinc/36/52/82/1068365282.db2.gz VJJQMQKUHYJYTM-STCFVSJZSA-N 1 0 451.636 4.543 20 0 JJADRO COc1ccc(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(OCCOC(C)C)c1 ZINC001463347642 1068366096 /nfs/dbraw/zinc/36/60/96/1068366096.db2.gz ZXTUIETUYCWFGP-SGNDLWITSA-N 1 0 466.622 4.530 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(COc4ccccc4Br)cc3)C[C@H]2C1 ZINC001463386916 1068380311 /nfs/dbraw/zinc/38/03/11/1068380311.db2.gz FAMRNOLIZHWQPI-NJDAHSKKSA-N 1 0 457.412 4.830 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccsc3NC(=O)c3ccccc3Cl)cc2)CC1 ZINC001463542407 1068435267 /nfs/dbraw/zinc/43/52/67/1068435267.db2.gz IOIPSOPPHGSCIV-UHFFFAOYSA-N 1 0 454.983 4.658 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)[NH+]2CCCC2)c1 ZINC001463560203 1068443579 /nfs/dbraw/zinc/44/35/79/1068443579.db2.gz WEQKCHLAGUULAT-HSZRJFAPSA-N 1 0 452.986 4.718 20 0 JJADRO COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC001463562921 1068444978 /nfs/dbraw/zinc/44/49/78/1068444978.db2.gz IOFWTHAGJWFCLE-FIXSFTCYSA-N 1 0 457.412 4.689 20 0 JJADRO CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)C2=O)cc1 ZINC001463573390 1068451706 /nfs/dbraw/zinc/45/17/06/1068451706.db2.gz OAFCEYJKQBEQPN-PKTZIBPZSA-N 1 0 453.652 4.814 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)[NH+]1CCCC1 ZINC001463575759 1068452532 /nfs/dbraw/zinc/45/25/32/1068452532.db2.gz ZHFQJBJBVVITJY-QFIPXVFZSA-N 1 0 452.986 4.718 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)c1cccs1 ZINC001463645755 1068479541 /nfs/dbraw/zinc/47/95/41/1068479541.db2.gz CQVYVEFBRPNTFU-HXUWFJFHSA-N 1 0 453.633 4.973 20 0 JJADRO CC(C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)[NH+]1CCCCC1 ZINC001463653867 1068483037 /nfs/dbraw/zinc/48/30/37/1068483037.db2.gz NACWOUFZEJURBO-NRFANRHFSA-N 1 0 450.004 4.590 20 0 JJADRO COc1ccc([C@@H](CNC(=O)c2ccc(Nc3nccs3)cc2F)[NH+]2CCCCC2)cc1 ZINC001463661938 1068486312 /nfs/dbraw/zinc/48/63/12/1068486312.db2.gz VCEMBDRQZVVVLG-JOCHJYFZSA-N 1 0 454.571 4.991 20 0 JJADRO COc1ccc([C@H](CNC(=O)[C@H]2CCCCCN2C(=O)OC(C)(C)C)[NH+]2CCCCC2)cc1 ZINC001463663092 1068486975 /nfs/dbraw/zinc/48/69/75/1068486975.db2.gz XRFLJCUWLDEFOA-PKTZIBPZSA-N 1 0 459.631 4.518 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC001463707117 1068500819 /nfs/dbraw/zinc/50/08/19/1068500819.db2.gz NAHRKKIORCQGAU-UHFFFAOYSA-N 1 0 456.521 4.862 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)c2)CC1 ZINC001463706193 1068501015 /nfs/dbraw/zinc/50/10/15/1068501015.db2.gz JDKFTMMSLFMZTE-OAQYLSRUSA-N 1 0 458.647 4.503 20 0 JJADRO CC(C)N1C(=O)C[C@@H](C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463707880 1068501695 /nfs/dbraw/zinc/50/16/95/1068501695.db2.gz BVNDTMWEWGQXBL-XMSQKQJNSA-N 1 0 452.014 4.548 20 0 JJADRO Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001463730092 1068506348 /nfs/dbraw/zinc/50/63/48/1068506348.db2.gz AZYUZKWARGIKMT-UHFFFAOYSA-N 1 0 457.397 4.547 20 0 JJADRO CC1CC[NH+](CCCNC(=O)c2cc3cc(Br)cc(Br)c3o2)CC1 ZINC001463731343 1068507034 /nfs/dbraw/zinc/50/70/34/1068507034.db2.gz BKYWCGFJEIYDHD-UHFFFAOYSA-N 1 0 458.194 4.810 20 0 JJADRO COc1cc(C)c(S(=O)(=O)N2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)cc1C ZINC001463756740 1068514110 /nfs/dbraw/zinc/51/41/10/1068514110.db2.gz UXBJPOUBUJHVJC-XMMPIXPASA-N 1 0 458.668 4.666 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)[NH+](C)C)cc1 ZINC001463760049 1068515361 /nfs/dbraw/zinc/51/53/61/1068515361.db2.gz FZLWGEJPFMZWPY-HSZRJFAPSA-N 1 0 455.961 4.724 20 0 JJADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001463766969 1068517666 /nfs/dbraw/zinc/51/76/66/1068517666.db2.gz VNRUTNFCLPEMMU-FQEVSTJZSA-N 1 0 454.368 4.979 20 0 JJADRO Cc1cccc(CN(C)S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c1C ZINC001463770084 1068518900 /nfs/dbraw/zinc/51/89/00/1068518900.db2.gz ZGUFYMPKQVCKMW-RRPNLBNLSA-N 1 0 466.622 4.872 20 0 JJADRO CC(C)c1ccc(N2CC[C@@H](C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC001463793174 1068525908 /nfs/dbraw/zinc/52/59/08/1068525908.db2.gz BQAFZMGPEDSSMR-DEOSSOPVSA-N 1 0 454.014 4.597 20 0 JJADRO CCOC1(C)CCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001463794093 1068526307 /nfs/dbraw/zinc/52/63/07/1068526307.db2.gz UHHLHTHWBJDMMO-BJKOFHAPSA-N 1 0 477.070 4.529 20 0 JJADRO CC(C)c1ccc(N2CC[C@H](C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC001463793181 1068526507 /nfs/dbraw/zinc/52/65/07/1068526507.db2.gz BQAFZMGPEDSSMR-XMMPIXPASA-N 1 0 454.014 4.597 20 0 JJADRO CCCc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC2=O)cc1 ZINC001463827038 1068538784 /nfs/dbraw/zinc/53/87/84/1068538784.db2.gz YUIRZNPQOUJGQA-HYBUGGRVSA-N 1 0 454.014 4.599 20 0 JJADRO CC(C)(CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)C1=CCCC1 ZINC001463827854 1068539400 /nfs/dbraw/zinc/53/94/00/1068539400.db2.gz MBCGDDVQOVOPTK-LOSJGSFVSA-N 1 0 456.627 4.850 20 0 JJADRO CCN1C(=O)C[C@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H]1c1cccc(C)c1 ZINC001463832849 1068540729 /nfs/dbraw/zinc/54/07/29/1068540729.db2.gz AZPPZKIKXNDHMX-QQKQFIJSSA-N 1 0 454.014 4.511 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463836115 1068541892 /nfs/dbraw/zinc/54/18/92/1068541892.db2.gz HFQRUMIQKHNMLW-IOMROCGXSA-N 1 0 450.023 4.677 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)Cc1ccccc1 ZINC001463837275 1068542387 /nfs/dbraw/zinc/54/23/87/1068542387.db2.gz RGKGSUQXUGWHJW-NRFANRHFSA-N 1 0 450.529 4.879 20 0 JJADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001463842666 1068544835 /nfs/dbraw/zinc/54/48/35/1068544835.db2.gz YSBXVQFWVQNDLV-PWRODBHTSA-N 1 0 451.577 4.940 20 0 JJADRO CC[C@@H](CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)CC(F)(F)F ZINC001463894152 1068557697 /nfs/dbraw/zinc/55/76/97/1068557697.db2.gz NBGGDZATVJBXOR-WTIAFYNJSA-N 1 0 468.585 4.861 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC001463900956 1068560632 /nfs/dbraw/zinc/56/06/32/1068560632.db2.gz QUNHGHOACGIPDY-QGZVFWFLSA-N 1 0 457.537 4.697 20 0 JJADRO CCCc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccccc3Cl)[NH+](CC)CC)CC2=O)cc1 ZINC001463912095 1068562926 /nfs/dbraw/zinc/56/29/26/1068562926.db2.gz IJLAEKCBWQMRDC-HYBUGGRVSA-N 1 0 456.030 4.845 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)CCCCc1ccc(I)cc1)C1CCCCC1 ZINC001463988909 1068581835 /nfs/dbraw/zinc/58/18/35/1068581835.db2.gz YNQVCUJJXKZYKN-HXUWFJFHSA-N 1 0 456.412 4.631 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)CCCCc1ccc(I)cc1)C1CCCCC1 ZINC001463988908 1068581891 /nfs/dbraw/zinc/58/18/91/1068581891.db2.gz YNQVCUJJXKZYKN-FQEVSTJZSA-N 1 0 456.412 4.631 20 0 JJADRO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001463988473 1068582008 /nfs/dbraw/zinc/58/20/08/1068582008.db2.gz VUOGSCUEXKSQDN-OAQYLSRUSA-N 1 0 451.640 4.705 20 0 JJADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001463990015 1068582422 /nfs/dbraw/zinc/58/24/22/1068582422.db2.gz FOSLQKGKTMOQNC-UHFFFAOYSA-N 1 0 452.864 4.674 20 0 JJADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC001464011216 1068588129 /nfs/dbraw/zinc/58/81/29/1068588129.db2.gz QUUUMWICJYFDTE-IRLDBZIGSA-N 1 0 452.542 4.584 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)C3(N(C(=O)OC(C)(C)C)C4CC4)CCC3)cc2)CC1 ZINC001464017380 1068589857 /nfs/dbraw/zinc/58/98/57/1068589857.db2.gz IMZXALULKOALRE-UHFFFAOYSA-N 1 0 455.643 4.857 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001464097855 1068613884 /nfs/dbraw/zinc/61/38/84/1068613884.db2.gz CWDWBJUCULQFKB-JOCHJYFZSA-N 1 0 451.508 4.743 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H](C)c3ccc(Br)cc3)CC2)c1 ZINC001464103890 1068616882 /nfs/dbraw/zinc/61/68/82/1068616882.db2.gz SPNPKDJJYKBMSY-HXUWFJFHSA-N 1 0 458.444 4.580 20 0 JJADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1[C@@H]2CCCCCC[C@@H]12 ZINC001464118421 1068621197 /nfs/dbraw/zinc/62/11/97/1068621197.db2.gz CKVPPLGXUMYRBD-FGZHOGPDSA-N 1 0 451.577 4.940 20 0 JJADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC001464124010 1068623650 /nfs/dbraw/zinc/62/36/50/1068623650.db2.gz UZIHZAVFKGTLPH-GJZGRUSLSA-N 1 0 456.892 4.778 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC001464124009 1068623717 /nfs/dbraw/zinc/62/37/17/1068623717.db2.gz UZIHZAVFKGTLPH-GASCZTMLSA-N 1 0 456.892 4.778 20 0 JJADRO CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464133838 1068628681 /nfs/dbraw/zinc/62/86/81/1068628681.db2.gz FZBDLHZTOANCJK-UHFFFAOYSA-N 1 0 451.611 4.790 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)cc2)CC1 ZINC001464134731 1068629484 /nfs/dbraw/zinc/62/94/84/1068629484.db2.gz ZWPLGNGCEYFFIA-UHFFFAOYSA-N 1 0 458.393 4.569 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001464152630 1068635091 /nfs/dbraw/zinc/63/50/91/1068635091.db2.gz HUAIZHCIWGRRDL-DLBZAZTESA-N 1 0 450.549 4.714 20 0 JJADRO CCc1nc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nn1-c1ccccc1Cl ZINC001464154519 1068635820 /nfs/dbraw/zinc/63/58/20/1068635820.db2.gz PCKAEIUFYGKZDD-GOSISDBHSA-N 1 0 452.002 4.645 20 0 JJADRO CCc1nc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nn1-c1ccccc1Cl ZINC001464154520 1068635831 /nfs/dbraw/zinc/63/58/31/1068635831.db2.gz PCKAEIUFYGKZDD-SFHVURJKSA-N 1 0 452.002 4.645 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001464157980 1068637039 /nfs/dbraw/zinc/63/70/39/1068637039.db2.gz NXFCNKISYHMKRT-CUNXSJBXSA-N 1 0 455.602 4.849 20 0 JJADRO CC(C)(NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1 ZINC001464166839 1068640901 /nfs/dbraw/zinc/64/09/01/1068640901.db2.gz ZSJMKQJKDIQIQD-IBGZPJMESA-N 1 0 451.355 4.958 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)cc1 ZINC001464179648 1068644858 /nfs/dbraw/zinc/64/48/58/1068644858.db2.gz ZCSVXGHZRARXSM-INIZCTEOSA-N 1 0 458.393 4.879 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001464198460 1068652835 /nfs/dbraw/zinc/65/28/35/1068652835.db2.gz ILRGSZJQEYAHJE-UHFFFAOYSA-N 1 0 453.583 4.910 20 0 JJADRO C[C@@H](CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC001464199752 1068653632 /nfs/dbraw/zinc/65/36/32/1068653632.db2.gz OYMAXNOCZQQSMW-MOPGFXCFSA-N 1 0 455.002 4.648 20 0 JJADRO C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)CC[N@@H+]1C ZINC001464205888 1068656623 /nfs/dbraw/zinc/65/66/23/1068656623.db2.gz JENIMUKCMCHGGH-ZTQAJYAQSA-N 1 0 452.451 4.611 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cnc(Cl)c(Br)c2)C1 ZINC001464206107 1068656658 /nfs/dbraw/zinc/65/66/58/1068656658.db2.gz VGTQDNZFMNBGSF-GJZGRUSLSA-N 1 0 450.808 4.905 20 0 JJADRO CC1CC[NH+](CCCCNC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)CC1 ZINC001464210733 1068659288 /nfs/dbraw/zinc/65/92/88/1068659288.db2.gz DFJJMIVMYMLRPR-HSZRJFAPSA-N 1 0 457.659 4.873 20 0 JJADRO CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001464211727 1068659912 /nfs/dbraw/zinc/65/99/12/1068659912.db2.gz ODGXKCCWVGUMLI-WHLIWEHUSA-N 1 0 459.675 4.966 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001464215113 1068660473 /nfs/dbraw/zinc/66/04/73/1068660473.db2.gz IOKZTALGCDQBGX-OPYAIIAOSA-N 1 0 452.039 4.780 20 0 JJADRO CCn1c2ccccc2nc1SCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001464217983 1068661703 /nfs/dbraw/zinc/66/17/03/1068661703.db2.gz RWOHMUUGVDCKHS-PMACEKPBSA-N 1 0 450.652 4.943 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001464220515 1068663081 /nfs/dbraw/zinc/66/30/81/1068663081.db2.gz SOURAALCQOHJIG-HZPDHXFCSA-N 1 0 453.414 4.850 20 0 JJADRO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)c2)n1 ZINC001464243612 1068673358 /nfs/dbraw/zinc/67/33/58/1068673358.db2.gz XRTHGQVMOBBMBC-OAQYLSRUSA-N 1 0 452.505 4.508 20 0 JJADRO Cc1nc(NC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)sc1Cc1ccccc1Cl ZINC001464322113 1068705174 /nfs/dbraw/zinc/70/51/74/1068705174.db2.gz XHVLOHAWACZZJC-XMMPIXPASA-N 1 0 456.011 4.661 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)[NH+]1CCCCC1 ZINC001464326858 1068707539 /nfs/dbraw/zinc/70/75/39/1068707539.db2.gz AZJALZIUSMRFNK-GOSISDBHSA-N 1 0 455.546 4.533 20 0 JJADRO C[C@H]1CCC[C@@](CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)([NH+](C)C)C1 ZINC001464399617 1068732488 /nfs/dbraw/zinc/73/24/88/1068732488.db2.gz JKHQDFQJDTYYIB-OYHNWAKOSA-N 1 0 453.414 4.993 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)c2ccccc2)CC1 ZINC001464403288 1068733975 /nfs/dbraw/zinc/73/39/75/1068733975.db2.gz RSSHNVTXVFEEMJ-QFIPXVFZSA-N 1 0 454.521 4.881 20 0 JJADRO C[C@H]1CCC[C@](CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)([NH+](C)C)C1 ZINC001464404259 1068734595 /nfs/dbraw/zinc/73/45/95/1068734595.db2.gz NFTLWXWWHZQQJC-BTYIYWSLSA-N 1 0 450.446 4.742 20 0 JJADRO CSc1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)n1-c1ccc(F)cc1 ZINC001464405776 1068735136 /nfs/dbraw/zinc/73/51/36/1068735136.db2.gz ZXMYRDFCRMORAN-QFIPXVFZSA-N 1 0 452.599 4.936 20 0 JJADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001464412791 1068737219 /nfs/dbraw/zinc/73/72/19/1068737219.db2.gz GWEAGVMPNPKCBF-CMCWBKRRSA-N 1 0 456.030 4.684 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)Cc2cc(-c3ccccc3)no2)CCCCC1 ZINC001464437002 1068744999 /nfs/dbraw/zinc/74/49/99/1068744999.db2.gz GRMNTRAQHVHJPM-UHFFFAOYSA-N 1 0 453.608 4.596 20 0 JJADRO Cc1cc(Cl)ccc1OCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001464460300 1068754339 /nfs/dbraw/zinc/75/43/39/1068754339.db2.gz HIWPDASVKPMZHZ-FGZHOGPDSA-N 1 0 470.038 4.906 20 0 JJADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001464472773 1068759339 /nfs/dbraw/zinc/75/93/39/1068759339.db2.gz OLUJNFLBVKUYSP-QUCCMNQESA-N 1 0 455.027 4.878 20 0 JJADRO C[N@H+](CCNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C1CCCCC1 ZINC001464497289 1068766841 /nfs/dbraw/zinc/76/68/41/1068766841.db2.gz HOYRRFJAEDIOMB-UHFFFAOYSA-N 1 0 456.427 4.563 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C/COC1CCOCC1)[NH+](C)C ZINC001464544616 1068777748 /nfs/dbraw/zinc/77/77/48/1068777748.db2.gz OCSWRLBKUOKDLZ-BDNZGDGKSA-N 1 0 457.442 4.660 20 0 JJADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O ZINC001464558793 1068781196 /nfs/dbraw/zinc/78/11/96/1068781196.db2.gz IGCJAAPWTGNGFS-HSZRJFAPSA-N 1 0 451.636 4.659 20 0 JJADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1nccnc1SCc1ccccc1 ZINC001464567770 1068784517 /nfs/dbraw/zinc/78/45/17/1068784517.db2.gz XIGNTYDWPXBKHG-UHFFFAOYSA-N 1 0 450.633 4.613 20 0 JJADRO CCc1cc(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c2c(n1)onc2C(C)C ZINC001464577223 1068789269 /nfs/dbraw/zinc/78/92/69/1068789269.db2.gz ZDCFRQKAHNSYGG-UHFFFAOYSA-N 1 0 450.583 4.559 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3)c2Br)[NH+]2CCCC2)cc1 ZINC001464588785 1068792701 /nfs/dbraw/zinc/79/27/01/1068792701.db2.gz TVZXJEPQODMDJG-OAQYLSRUSA-N 1 0 453.384 4.510 20 0 JJADRO CN(CCCCC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC001464635775 1068806182 /nfs/dbraw/zinc/80/61/82/1068806182.db2.gz IBLCHDWUERKMAW-UHFFFAOYSA-N 1 0 459.553 4.633 20 0 JJADRO Cc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(Br)cc3)[nH]n2)cc1C ZINC001464636981 1068806934 /nfs/dbraw/zinc/80/69/34/1068806934.db2.gz LAYDVTUFAFBHIE-UHFFFAOYSA-N 1 0 455.400 4.660 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)c2)n1 ZINC001464643800 1068809192 /nfs/dbraw/zinc/80/91/92/1068809192.db2.gz SZIAXHXJTZTJDY-UHFFFAOYSA-N 1 0 455.965 4.834 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC001464646391 1068810250 /nfs/dbraw/zinc/81/02/50/1068810250.db2.gz FEDMNCXMHGADTB-DEOSSOPVSA-N 1 0 457.659 4.673 20 0 JJADRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001464652324 1068812100 /nfs/dbraw/zinc/81/21/00/1068812100.db2.gz TWLLHVCTKOBIEJ-XMMPIXPASA-N 1 0 452.561 4.816 20 0 JJADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 ZINC001464661909 1068816058 /nfs/dbraw/zinc/81/60/58/1068816058.db2.gz YEMYHIVNOAZZFG-UHFFFAOYSA-N 1 0 450.461 4.556 20 0 JJADRO O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001464662162 1068816180 /nfs/dbraw/zinc/81/61/80/1068816180.db2.gz CBHZYFSBVLQZRY-UHFFFAOYSA-N 1 0 454.464 4.670 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)C1CCCCC1 ZINC001464667844 1068817756 /nfs/dbraw/zinc/81/77/56/1068817756.db2.gz OPXTUHLOKPPYOV-DEOSSOPVSA-N 1 0 457.659 4.627 20 0 JJADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCC3(c4ccc(Cl)cc4)CCCCC3)cc21 ZINC001464690658 1068826148 /nfs/dbraw/zinc/82/61/48/1068826148.db2.gz XFSGKPVGXMZGND-UHFFFAOYSA-N 1 0 455.002 4.589 20 0 JJADRO CC1CC[NH+](Cc2cccc(CNC(=O)c3c[nH]nc3-c3cccc(OC(F)F)c3)c2)CC1 ZINC001464702748 1068830493 /nfs/dbraw/zinc/83/04/93/1068830493.db2.gz NALUPTREJKFCIG-UHFFFAOYSA-N 1 0 454.521 4.840 20 0 JJADRO CC(C)c1cc(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c(O)c(C(C)C)c1 ZINC001464713590 1068835766 /nfs/dbraw/zinc/83/57/66/1068835766.db2.gz XRBQHERJZIILEW-UHFFFAOYSA-N 1 0 451.611 4.631 20 0 JJADRO CCCCc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001464723738 1068839056 /nfs/dbraw/zinc/83/90/56/1068839056.db2.gz HGXGACZRSURJCJ-FQEVSTJZSA-N 1 0 453.602 4.760 20 0 JJADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCC5(CC[NH2+]CC5)[C@@H]3C(F)(F)F)n2)CCC4)CC1 ZINC001164386950 718815356 /nfs/dbraw/zinc/81/53/56/718815356.db2.gz CENFSPQUCSZCGJ-HSZRJFAPSA-N 1 0 493.643 4.923 20 0 JJADRO Clc1ncc2c(c1N1CC[C@H]3CCCO[C@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164419861 718900082 /nfs/dbraw/zinc/90/00/82/718900082.db2.gz CYUOCKHMRHXGBC-OFNKIYASSA-N 1 0 454.014 4.762 20 0 JJADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c2ccccc21 ZINC001164424003 718943601 /nfs/dbraw/zinc/94/36/01/718943601.db2.gz MDGNHHGMFKHEOM-GHTZIAJQSA-N 1 0 465.935 4.909 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](c4ccccc4)C(=O)N3CCOC)CC2)nc1 ZINC001164430693 718954786 /nfs/dbraw/zinc/95/47/86/718954786.db2.gz WGOKIACMLSLICQ-FTJBHMTQSA-N 1 0 476.665 4.630 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164614522 719008463 /nfs/dbraw/zinc/00/84/63/719008463.db2.gz FTSVQFWKCDYTCN-VGSWGCGISA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164620625 719010356 /nfs/dbraw/zinc/01/03/56/719010356.db2.gz ZDFAPYVVOFSTRA-AVRDEDQJSA-N 1 0 497.011 4.553 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4scc(-c5ccc(C)cc5)c43)CC2)CC1 ZINC001164613761 719025161 /nfs/dbraw/zinc/02/51/61/719025161.db2.gz CLKIKYBFYJFQQD-UHFFFAOYSA-N 1 0 464.635 4.911 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)CC2)CC1 ZINC001164617598 719034354 /nfs/dbraw/zinc/03/43/54/719034354.db2.gz MMYZNPPXUFYONR-UHFFFAOYSA-N 1 0 479.408 4.820 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)CC2)CC1 ZINC001164617468 719034370 /nfs/dbraw/zinc/03/43/70/719034370.db2.gz KROOQBDTNZGFKT-UHFFFAOYSA-N 1 0 481.399 4.833 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)CC2)CC1 ZINC001164617462 719034379 /nfs/dbraw/zinc/03/43/79/719034379.db2.gz KPPZJBDUYHRSPY-UHFFFAOYSA-N 1 0 479.408 4.820 20 0 JJADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164628704 719043416 /nfs/dbraw/zinc/04/34/16/719043416.db2.gz ZDTWLGXKLNZRQA-SQJMNOBHSA-N 1 0 498.961 4.615 20 0 JJADRO c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2nc(CN4CCCCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164621333 719047691 /nfs/dbraw/zinc/04/76/91/719047691.db2.gz IOSXPNQZAUKYGW-RBISFHTESA-N 1 0 473.690 4.749 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629869 719102064 /nfs/dbraw/zinc/10/20/64/719102064.db2.gz TZAOTUQRXUFJQE-QUCCMNQESA-N 1 0 455.940 4.838 20 0 JJADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164659951 719351412 /nfs/dbraw/zinc/35/14/12/719351412.db2.gz SVTVWOMZSXTXHH-UHFFFAOYSA-N 1 0 483.616 4.947 20 0 JJADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164659560 719354696 /nfs/dbraw/zinc/35/46/96/719354696.db2.gz QTNCXKDFIBMLOI-UHFFFAOYSA-N 1 0 483.616 4.947 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3nc(C(=O)N(CC)CC)sc3CC2)nc1 ZINC001164663382 719359792 /nfs/dbraw/zinc/35/97/92/719359792.db2.gz DMLXHWRJAIJGAJ-NRFANRHFSA-N 1 0 455.672 4.562 20 0 JJADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccc(F)cc3)nc3cc(Cl)ccc32)c2c1CC[NH2+]C2 ZINC001164682328 719627499 /nfs/dbraw/zinc/62/74/99/719627499.db2.gz MMAAPDKDVZMMPB-UHFFFAOYSA-N 1 0 464.976 4.761 20 0 JJADRO CC(C)N(C)Cc1nn(-c2ncnc3scc(-c4ccc(Cl)cc4)c32)c2c1CC[NH2+]C2 ZINC001164680559 719638496 /nfs/dbraw/zinc/63/84/96/719638496.db2.gz WBFCLHOZUZMBCS-UHFFFAOYSA-N 1 0 453.015 4.683 20 0 JJADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)c2c1CC[NH2+]C2 ZINC001164679593 719645787 /nfs/dbraw/zinc/64/57/87/719645787.db2.gz IINYROSJJBIQQR-UHFFFAOYSA-N 1 0 463.935 4.821 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4cccc(F)c43)CC2)c2ccccc21 ZINC001164679926 719664505 /nfs/dbraw/zinc/66/45/05/719664505.db2.gz AJDNIEMDQPFLRS-GOSISDBHSA-N 1 0 496.030 4.516 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4ccc(Cl)cc43)CC2)c2ccccc21 ZINC001164680760 719664511 /nfs/dbraw/zinc/66/45/11/719664511.db2.gz IRLKFYLXSABXDF-NRFANRHFSA-N 1 0 477.052 4.982 20 0 JJADRO Cc1ccc2ccnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164681585 719668466 /nfs/dbraw/zinc/66/84/66/719668466.db2.gz NDDFDLGDOKYFKV-HSZRJFAPSA-N 1 0 456.634 4.637 20 0 JJADRO Cc1nc2c3ccccc3oc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686236 719673495 /nfs/dbraw/zinc/67/34/95/719673495.db2.gz WSFYJFHXOKNPCW-OAQYLSRUSA-N 1 0 497.643 4.778 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)cc(C(C)(C)C)n3)CC2)c2ccccc21 ZINC001164680811 719675653 /nfs/dbraw/zinc/67/56/53/719675653.db2.gz HUFCVVWUNIFCSA-IBGZPJMESA-N 1 0 484.088 4.521 20 0 JJADRO Cc1ccc(C)c(-c2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)c1 ZINC001164680496 719678452 /nfs/dbraw/zinc/67/84/52/719678452.db2.gz GKTHMWMNUSWDDF-XMMPIXPASA-N 1 0 497.687 4.854 20 0 JJADRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(-c2cccs2)n1 ZINC001164681067 719679425 /nfs/dbraw/zinc/67/94/25/719679425.db2.gz JEOAUSCDCAEUDY-OAQYLSRUSA-N 1 0 489.689 4.607 20 0 JJADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164687963 719684295 /nfs/dbraw/zinc/68/42/95/719684295.db2.gz WXZOVSLNUZIRFM-SFTDATJTSA-N 1 0 488.680 4.565 20 0 JJADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc31)CC2 ZINC001164690057 719746945 /nfs/dbraw/zinc/74/69/45/719746945.db2.gz ROAIXHHYQSMNPS-UHFFFAOYSA-N 1 0 484.431 4.784 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncccc2C(=O)NC2CCCCC2)CC3)cs1 ZINC001164694479 719804628 /nfs/dbraw/zinc/80/46/28/719804628.db2.gz YYWUPKOWIYFVPE-UHFFFAOYSA-N 1 0 453.656 4.544 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)CC3)cs1 ZINC001164692918 719809703 /nfs/dbraw/zinc/80/97/03/719809703.db2.gz NSYMJTIYYFFHNG-UHFFFAOYSA-N 1 0 462.063 4.663 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncccc2C(=O)N2CCc4ccccc42)CC3)cs1 ZINC001164692767 719812976 /nfs/dbraw/zinc/81/29/76/719812976.db2.gz RSPMFJLATNMOLX-UHFFFAOYSA-N 1 0 473.646 4.684 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C(=O)N4CCCCC4)cc2Cl)CC3)cs1 ZINC001164692019 719814046 /nfs/dbraw/zinc/81/40/46/719814046.db2.gz KQHOTWPYXLGMCS-UHFFFAOYSA-N 1 0 474.074 4.761 20 0 JJADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694929 719889129 /nfs/dbraw/zinc/88/91/29/719889129.db2.gz HMZLKFDERVZFTN-UHFFFAOYSA-N 1 0 464.969 4.761 20 0 JJADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695322 719890513 /nfs/dbraw/zinc/89/05/13/719890513.db2.gz NRSXCNOEZMSXFJ-UHFFFAOYSA-N 1 0 464.969 4.761 20 0 JJADRO Clc1ncc(OCc2ccccc2)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164697524 719892752 /nfs/dbraw/zinc/89/27/52/719892752.db2.gz KRACRFDYNPZTCS-UHFFFAOYSA-N 1 0 471.026 4.642 20 0 JJADRO Fc1cccc(Cn2ccc3c2ncnc3N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164699059 719893408 /nfs/dbraw/zinc/89/34/08/719893408.db2.gz WNJKBLVRNMQISO-UHFFFAOYSA-N 1 0 477.609 4.552 20 0 JJADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699263 719895317 /nfs/dbraw/zinc/89/53/17/719895317.db2.gz YKTMQCMYPGSYPC-UHFFFAOYSA-N 1 0 464.969 4.761 20 0 JJADRO Clc1nnc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1N1CCCCC1 ZINC001164707119 719908857 /nfs/dbraw/zinc/90/88/57/719908857.db2.gz NTBFUHAVJMXADV-UHFFFAOYSA-N 1 0 482.481 4.707 20 0 JJADRO FC(F)(N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2)C1(c2ccc(Cl)nc2)CC1 ZINC001164705531 719909780 /nfs/dbraw/zinc/90/97/80/719909780.db2.gz CXVSZLYPJQZBOZ-UHFFFAOYSA-N 1 0 453.986 4.788 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(OC)cc3)nc3ccc(F)cc31)C2 ZINC001164809759 720094505 /nfs/dbraw/zinc/09/45/05/720094505.db2.gz JYKNMLMYRRDXDZ-PIKZIKFNSA-N 1 0 476.596 4.629 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164714130 720113989 /nfs/dbraw/zinc/11/39/89/720113989.db2.gz ADPRMCFQHDNVMM-SFHVURJKSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164719093 720118063 /nfs/dbraw/zinc/11/80/63/720118063.db2.gz VWIOKJRYPNXMPH-QGZVFWFLSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164715473 720118733 /nfs/dbraw/zinc/11/87/33/720118733.db2.gz FZXQWOZPEOUCPY-JOCHJYFZSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164716041 720119350 /nfs/dbraw/zinc/11/93/50/720119350.db2.gz IRCMCOINFIWKSC-OAQYLSRUSA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164809720 720125745 /nfs/dbraw/zinc/12/57/45/720125745.db2.gz IMTXQHHBRXLCIC-KKSFZXQISA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164717367 720127302 /nfs/dbraw/zinc/12/73/02/720127302.db2.gz NRTGQYNHOJPCAD-OAQYLSRUSA-N 1 0 487.982 4.731 20 0 JJADRO CCCCOc1cnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c(Cl)c1 ZINC001164713037 720135095 /nfs/dbraw/zinc/13/50/95/720135095.db2.gz PEWDSMBUHOQLTB-NRFANRHFSA-N 1 0 459.034 4.816 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164808229 720137690 /nfs/dbraw/zinc/13/76/90/720137690.db2.gz FAMNTRXKZNJBGR-WMZHIEFXSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164808231 720138456 /nfs/dbraw/zinc/13/84/56/720138456.db2.gz FAMNTRXKZNJBGR-XXBNENTESA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cc(C)ccc3C)nn1)CC2 ZINC001164710462 720144895 /nfs/dbraw/zinc/14/48/95/720144895.db2.gz BQCHNOCIXKXVTP-DEOSSOPVSA-N 1 0 457.622 4.663 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164714035 720148411 /nfs/dbraw/zinc/14/84/11/720148411.db2.gz VMVVWYYGSJWOFK-NRFANRHFSA-N 1 0 482.003 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164714772 720152817 /nfs/dbraw/zinc/15/28/17/720152817.db2.gz YRRNBBSOWOYTJJ-HXUWFJFHSA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164715103 720154551 /nfs/dbraw/zinc/15/45/51/720154551.db2.gz SSCYUGDLVXTLCX-NRFANRHFSA-N 1 0 480.012 4.825 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)CC2 ZINC001164714841 720154631 /nfs/dbraw/zinc/15/46/31/720154631.db2.gz ZUKPLHLNSKAQEN-KRWDZBQOSA-N 1 0 487.378 4.716 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1Oc1ccccc1F)CC2 ZINC001164710823 720155175 /nfs/dbraw/zinc/15/51/75/720155175.db2.gz DHJVBOXIBYNPKP-HXUWFJFHSA-N 1 0 498.002 4.964 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164711904 720156267 /nfs/dbraw/zinc/15/62/67/720156267.db2.gz DNAVWOZFKGWIPP-GOSISDBHSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164711225 720157928 /nfs/dbraw/zinc/15/79/28/720157928.db2.gz ABXGHPXHSKLDPO-NRFANRHFSA-N 1 0 476.999 4.758 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)C2 ZINC001164814258 720162798 /nfs/dbraw/zinc/16/27/98/720162798.db2.gz FIEBEFHKHPIDII-DFBJGRDBSA-N 1 0 452.599 4.682 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CSC)nc3sc4c(c31)CCCC4)C2 ZINC001164818219 720170947 /nfs/dbraw/zinc/17/09/47/720170947.db2.gz SHIJFJXUMAFORW-BVZFJXPGSA-N 1 0 472.724 4.618 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164817750 720173069 /nfs/dbraw/zinc/17/30/69/720173069.db2.gz QEAIQFYCTADJFH-KKSFZXQISA-N 1 0 469.001 4.588 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164818725 720188962 /nfs/dbraw/zinc/18/89/62/720188962.db2.gz UIOMGTIVBNYJHB-REWPJTCUSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)C2 ZINC001164810307 720197675 /nfs/dbraw/zinc/19/76/75/720197675.db2.gz BVSHKPYSXOQUCR-GAJHUEQPSA-N 1 0 463.409 4.760 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)C2 ZINC001164814673 720204265 /nfs/dbraw/zinc/20/42/65/720204265.db2.gz WANOYKZHJLBOIF-HYBUGGRVSA-N 1 0 476.999 4.835 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)nc(Cl)c(Cl)c1Cl)CCC2 ZINC001164813549 720217282 /nfs/dbraw/zinc/21/72/82/720217282.db2.gz ONAXZHLGDJIFPD-UHFFFAOYSA-N 1 0 465.212 4.502 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3scc(-c4ccc(Cl)cc4)c31)CCC2 ZINC001164814506 720235879 /nfs/dbraw/zinc/23/58/79/720235879.db2.gz WATGPBJJFZZBNO-UHFFFAOYSA-N 1 0 495.052 4.819 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC001164827972 720337000 /nfs/dbraw/zinc/33/70/00/720337000.db2.gz NIHJKWCDTVEFEJ-SXOMAYOGSA-N 1 0 454.618 4.813 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001164828670 720337734 /nfs/dbraw/zinc/33/77/34/720337734.db2.gz PFWBIACSXVQQNO-FGZHOGPDSA-N 1 0 496.080 4.923 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC001164821492 720338321 /nfs/dbraw/zinc/33/83/21/720338321.db2.gz AMJOQTXARQQHKB-YADHBBJMSA-N 1 0 496.080 4.923 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824333 720339338 /nfs/dbraw/zinc/33/93/38/720339338.db2.gz HXXLMQQHIJFIMJ-PMACEKPBSA-N 1 0 481.691 4.640 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824347 720339525 /nfs/dbraw/zinc/33/95/25/720339525.db2.gz HXXLMQQHIJFIMJ-VQTJNVASSA-N 1 0 481.691 4.640 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC001164829399 720350167 /nfs/dbraw/zinc/35/01/67/720350167.db2.gz SBBHGFRQJXCOBO-VQTJNVASSA-N 1 0 492.426 4.501 20 0 JJADRO Cc1nc2c(cc(-c3nc(N4CC[C@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730998 720384402 /nfs/dbraw/zinc/38/44/02/720384402.db2.gz XSHDXGOUZCBFCT-XZOQPEGZSA-N 1 0 489.574 4.909 20 0 JJADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730893 720409350 /nfs/dbraw/zinc/40/93/50/720409350.db2.gz JNSBFXXWLAAXPI-VXKWHMMOSA-N 1 0 480.971 4.966 20 0 JJADRO c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731520 720439488 /nfs/dbraw/zinc/43/94/88/720439488.db2.gz LKWVYERWTGUIKD-GOTSBHOMSA-N 1 0 488.705 4.804 20 0 JJADRO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731522 720440432 /nfs/dbraw/zinc/44/04/32/720440432.db2.gz LKWVYERWTGUIKD-XZOQPEGZSA-N 1 0 488.705 4.804 20 0 JJADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164730962 720442870 /nfs/dbraw/zinc/44/28/70/720442870.db2.gz KLGSXVRMXCUUMW-YADHBBJMSA-N 1 0 499.640 4.625 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832387 720523943 /nfs/dbraw/zinc/52/39/43/720523943.db2.gz ANUBNUWFASSRLL-IEIRFRATSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@@H]21 ZINC001164832391 720524097 /nfs/dbraw/zinc/52/40/97/720524097.db2.gz ANUBNUWFASSRLL-RRPUWOKSSA-N 1 0 486.998 4.916 20 0 JJADRO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1C ZINC001164733888 720524333 /nfs/dbraw/zinc/52/43/33/720524333.db2.gz MILMSBRHHFXZEP-QGZVFWFLSA-N 1 0 498.603 4.971 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164735861 720542771 /nfs/dbraw/zinc/54/27/71/720542771.db2.gz SNYJNGPYCPHANW-CYFREDJKSA-N 1 0 490.982 4.506 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164736012 720544805 /nfs/dbraw/zinc/54/48/05/720544805.db2.gz UFAVIHAXQWKTPD-CQSZACIVSA-N 1 0 459.368 4.998 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164735305 720545475 /nfs/dbraw/zinc/54/54/75/720545475.db2.gz OKBMANFCAUNXHA-CYBMUJFWSA-N 1 0 459.368 4.998 20 0 JJADRO CC(C)(C)N(c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164733500 720546026 /nfs/dbraw/zinc/54/60/26/720546026.db2.gz CNNIKTXRSIMZNR-IBGZPJMESA-N 1 0 483.726 4.682 20 0 JJADRO CC(C)(C)N(c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734066 720546375 /nfs/dbraw/zinc/54/63/75/720546375.db2.gz GYAKMRBETHJDOR-LJQANCHMSA-N 1 0 483.726 4.682 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164735275 720547230 /nfs/dbraw/zinc/54/72/30/720547230.db2.gz NSUHLBLNJGXERS-GOSISDBHSA-N 1 0 450.961 4.858 20 0 JJADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)cc1 ZINC001164728855 720570276 /nfs/dbraw/zinc/57/02/76/720570276.db2.gz NWVFAYVAQWMKIN-UHFFFAOYSA-N 1 0 489.023 4.814 20 0 JJADRO CSc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncn2)cc1 ZINC001164835175 720582675 /nfs/dbraw/zinc/58/26/75/720582675.db2.gz AHHMWKRCVTUKHZ-MIZPHKNDSA-N 1 0 464.639 4.565 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)CC[C@@H]21 ZINC001164839260 720605138 /nfs/dbraw/zinc/60/51/38/720605138.db2.gz MYRAXUQKLLAXNR-OYDLWJJNSA-N 1 0 479.028 4.562 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164843172 720605205 /nfs/dbraw/zinc/60/52/05/720605205.db2.gz XAYGBVJBVLGZBO-DNVJHFABSA-N 1 0 495.741 4.724 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccsc4)nc4ccccc43)CC[C@@H]21 ZINC001164839763 720606899 /nfs/dbraw/zinc/60/68/99/720606899.db2.gz OLZPEDDAERCCLI-HFMPRLQTSA-N 1 0 458.635 4.933 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844191 720610188 /nfs/dbraw/zinc/61/01/88/720610188.db2.gz ZTBOZWMEOZJPOM-ZRCGQRJVSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(F)ccc3-c3ccc(Cl)nn3)CC[C@@H]21 ZINC001164838841 720620157 /nfs/dbraw/zinc/62/01/57/720620157.db2.gz MAUREGJNADPLEH-LZNRXBQRSA-N 1 0 454.981 4.510 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4ccc(Cl)nn4)ccc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837731 720621028 /nfs/dbraw/zinc/62/10/28/720621028.db2.gz ISKUOSITHKREGK-CNNODRBYSA-N 1 0 454.981 4.510 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4ccc(Cl)nn4)ccc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837734 720621549 /nfs/dbraw/zinc/62/15/49/720621549.db2.gz ISKUOSITHKREGK-XQBPLPMBSA-N 1 0 454.981 4.510 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4cccc5ccccc54)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839495 720623490 /nfs/dbraw/zinc/62/34/90/720623490.db2.gz NLOWOPKLOOIBRJ-QSEAXJEQSA-N 1 0 452.606 4.871 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164839755 720675344 /nfs/dbraw/zinc/67/53/44/720675344.db2.gz KBZFZAAYLLLZJM-OAHLLOKOSA-N 1 0 493.826 4.640 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1ccccc1)CC2 ZINC001164841278 720694201 /nfs/dbraw/zinc/69/42/01/720694201.db2.gz IRSBAWAFTCYUEA-RUZDIDTESA-N 1 0 467.617 4.740 20 0 JJADRO COc1cccc2nc(Cl)nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164841046 720694955 /nfs/dbraw/zinc/69/49/55/720694955.db2.gz HFVHITMILWGLGF-IBGZPJMESA-N 1 0 452.986 4.552 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164842342 720708793 /nfs/dbraw/zinc/70/87/93/720708793.db2.gz YNJAISORADPWSZ-AREMUKBSSA-N 1 0 480.612 4.985 20 0 JJADRO Cc1ccc(-c2nc3c(ncnc3N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)o2)cc1 ZINC001164840878 720714658 /nfs/dbraw/zinc/71/46/58/720714658.db2.gz RGFFDRKFIWFGDK-HSZRJFAPSA-N 1 0 469.589 4.853 20 0 JJADRO Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc(Cl)nc2)n1 ZINC001164839634 720722814 /nfs/dbraw/zinc/72/28/14/720722814.db2.gz MFQUKONFPOIHKN-QFIPXVFZSA-N 1 0 464.013 4.760 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)CC2 ZINC001164840325 720727412 /nfs/dbraw/zinc/72/74/12/720727412.db2.gz PEEPJKMXYRACQP-HXUWFJFHSA-N 1 0 494.970 4.632 20 0 JJADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837883 720736109 /nfs/dbraw/zinc/73/61/09/720736109.db2.gz NMTYHCSVTPYNTD-UHFFFAOYSA-N 1 0 467.351 4.730 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842955 720743888 /nfs/dbraw/zinc/74/38/88/720743888.db2.gz GOUHIGAWDFNYFQ-UHFFFAOYSA-N 1 0 470.955 4.515 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)nc1 ZINC001164844006 720747352 /nfs/dbraw/zinc/74/73/52/720747352.db2.gz NSBWBWOURHRFOW-HSZRJFAPSA-N 1 0 475.662 4.620 20 0 JJADRO CC[C@@H]1N(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CCC[C@]12CCC(=O)N2 ZINC001164847801 720754134 /nfs/dbraw/zinc/75/41/34/720754134.db2.gz NKOAAMISKJTTDT-HOFKKMOUSA-N 1 0 495.067 4.784 20 0 JJADRO CC[C@H]1N(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CCC[C@]12CCC(=O)N2 ZINC001164847804 720754307 /nfs/dbraw/zinc/75/43/07/720754307.db2.gz NKOAAMISKJTTDT-KCWPFWIISA-N 1 0 495.067 4.784 20 0 JJADRO Clc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1Cl ZINC001164741747 720786362 /nfs/dbraw/zinc/78/63/62/720786362.db2.gz MWPVRWITQKHGKF-ZWKOTPCHSA-N 1 0 493.398 4.736 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1Cl ZINC001164739209 720820302 /nfs/dbraw/zinc/82/03/02/720820302.db2.gz HSGBENPVIYIOPZ-MGPQQGTHSA-N 1 0 476.239 4.666 20 0 JJADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745141 720822033 /nfs/dbraw/zinc/82/20/33/720822033.db2.gz WPWFTVWSKLVHGO-YRISNDGFSA-N 1 0 457.409 4.513 20 0 JJADRO c1ncn(C[C@H]2C[C@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741202 720834585 /nfs/dbraw/zinc/83/45/85/720834585.db2.gz DTEFHRBXWKLNNR-IWVFXYMLSA-N 1 0 494.643 4.785 20 0 JJADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746553 720845853 /nfs/dbraw/zinc/84/58/53/720845853.db2.gz OLKGYZHPMKCIAN-PRVBGKCFSA-N 1 0 464.617 4.873 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1C ZINC001164747931 720846957 /nfs/dbraw/zinc/84/69/57/720846957.db2.gz RZIVOSKMZUQGLT-PNIUZAESSA-N 1 0 493.659 4.885 20 0 JJADRO Cc1sc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1-c1ccccc1 ZINC001164745169 720847644 /nfs/dbraw/zinc/84/76/44/720847644.db2.gz MEBDCWNVGAOVNK-YTFSRNRJSA-N 1 0 485.661 4.638 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744605 720847770 /nfs/dbraw/zinc/84/77/70/720847770.db2.gz KVBNGQOKNQTWGT-QKNQBKEWSA-N 1 0 491.690 4.699 20 0 JJADRO COc1ccc2c(c1)nc(N1CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)cc2-c1ccccc1 ZINC001164740526 720847943 /nfs/dbraw/zinc/84/79/43/720847943.db2.gz CFJSUEBFZFXEPT-UAABGXCFSA-N 1 0 494.643 4.881 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)s1 ZINC001164740565 720850767 /nfs/dbraw/zinc/85/07/67/720850767.db2.gz CTOJXHHKDSTBHH-PQNGQFLHSA-N 1 0 485.661 4.638 20 0 JJADRO CC(C)c1cc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164754362 720869195 /nfs/dbraw/zinc/86/91/95/720869195.db2.gz RMKLMEOOXBIARB-AJTFRIOCSA-N 1 0 477.678 4.965 20 0 JJADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752899 720872469 /nfs/dbraw/zinc/87/24/69/720872469.db2.gz NJMNZAIAMYYYSG-WMZHIEFXSA-N 1 0 480.962 4.569 20 0 JJADRO CSc1nc2sccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754837 720874085 /nfs/dbraw/zinc/87/40/85/720874085.db2.gz TXHHRKBHZXESMF-CPJSRVTESA-N 1 0 481.691 4.563 20 0 JJADRO Clc1cc(-c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)ccn1 ZINC001164752460 720880148 /nfs/dbraw/zinc/88/01/48/720880148.db2.gz NBDZKCMYWDOFOY-LBNVMWSVSA-N 1 0 490.051 4.947 20 0 JJADRO c1ccc(-c2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)cc1 ZINC001164748417 720880925 /nfs/dbraw/zinc/88/09/25/720880925.db2.gz DRCONFLDLLWKDM-XRKRLSELSA-N 1 0 454.618 4.899 20 0 JJADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(Cl)c(Cl)c4)c4ccccc43)CC[C@H]2C1 ZINC001164863932 720882474 /nfs/dbraw/zinc/88/24/74/720882474.db2.gz UYOFKQAVFUDSKM-MBSDFSHPSA-N 1 0 487.431 4.777 20 0 JJADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754431 720882977 /nfs/dbraw/zinc/88/29/77/720882977.db2.gz IWBTZJRZVZZSHZ-AJTFRIOCSA-N 1 0 478.040 4.742 20 0 JJADRO Fc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164758826 720883509 /nfs/dbraw/zinc/88/35/09/720883509.db2.gz ZRHMTUJLRJBWNF-IBVKSMDESA-N 1 0 482.003 4.572 20 0 JJADRO CSc1cc(Cl)ncc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757504 720884717 /nfs/dbraw/zinc/88/47/17/720884717.db2.gz VIWLVPNFLKMKCD-HYBUGGRVSA-N 1 0 459.059 4.607 20 0 JJADRO Fc1cccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758792 720886076 /nfs/dbraw/zinc/88/60/76/720886076.db2.gz ZMMBKYORSBJLKI-RXFWQSSRSA-N 1 0 482.003 4.572 20 0 JJADRO Fc1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1Cl ZINC001164756824 720887030 /nfs/dbraw/zinc/88/70/30/720887030.db2.gz RFGNJTZADZSSRI-NZQKXSOJSA-N 1 0 480.962 4.569 20 0 JJADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757203 720890430 /nfs/dbraw/zinc/89/04/30/720890430.db2.gz UIUTWJIVLVYXIM-QPPBQGQZSA-N 1 0 476.999 4.738 20 0 JJADRO COc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757176 720890567 /nfs/dbraw/zinc/89/05/67/720890567.db2.gz UCLRIZVQUXRIMI-GIGWZHCTSA-N 1 0 472.633 4.702 20 0 JJADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753293 720891122 /nfs/dbraw/zinc/89/11/22/720891122.db2.gz GKAZGIYECRRPJG-AMGIVPHBSA-N 1 0 478.040 4.742 20 0 JJADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164749802 720894993 /nfs/dbraw/zinc/89/49/93/720894993.db2.gz AQRAJWDUGYPLKT-URXFXBBRSA-N 1 0 476.999 4.738 20 0 JJADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164749806 720895128 /nfs/dbraw/zinc/89/51/28/720895128.db2.gz AQRAJWDUGYPLKT-XUZZJYLKSA-N 1 0 476.999 4.738 20 0 JJADRO Cc1c(Cl)cnc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749496 720904107 /nfs/dbraw/zinc/90/41/07/720904107.db2.gz AFOYLAGHJSNUHA-YKSBVNFPSA-N 1 0 461.437 4.847 20 0 JJADRO Cc1c[nH]c2nc(Cl)cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754666 720907340 /nfs/dbraw/zinc/90/73/40/720907340.db2.gz WWCJPVUVIFFCKJ-RLWLMLJZSA-N 1 0 466.029 4.675 20 0 JJADRO Cc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164746517 720908074 /nfs/dbraw/zinc/90/80/74/720908074.db2.gz BGZAYQOTFREOFB-GGXMVOPNSA-N 1 0 469.633 4.602 20 0 JJADRO FC(F)c1nc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755181 720918824 /nfs/dbraw/zinc/91/88/24/720918824.db2.gz ZJGVTNCFWDPXGC-IDISGSTGSA-N 1 0 479.575 4.718 20 0 JJADRO Clc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(-c2ccccc2)n1 ZINC001164748086 720920657 /nfs/dbraw/zinc/92/06/57/720920657.db2.gz FUUCLUPMTJEEDV-RBJSKKJNSA-N 1 0 490.051 4.947 20 0 JJADRO Fc1cccc(F)c1-c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164753767 720921308 /nfs/dbraw/zinc/92/13/08/720921308.db2.gz SMMNCTFIPBUMJA-SKCUWOTOSA-N 1 0 491.586 4.572 20 0 JJADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755172 720932474 /nfs/dbraw/zinc/93/24/74/720932474.db2.gz ZHOBSEUNZAJXPT-PWUYWRBVSA-N 1 0 487.623 4.741 20 0 JJADRO CSc1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164751325 720933102 /nfs/dbraw/zinc/93/31/02/720933102.db2.gz LIHPBWSWCQRLDF-WXVAWEFUSA-N 1 0 475.662 4.502 20 0 JJADRO COc1cc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1F ZINC001164749092 720934954 /nfs/dbraw/zinc/93/49/54/720934954.db2.gz HROGDUJBBKXPJQ-QDPGVEIFSA-N 1 0 476.596 4.533 20 0 JJADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164749950 720939452 /nfs/dbraw/zinc/93/94/52/720939452.db2.gz IOJJOSJCTNTSEP-JMFZDZGDSA-N 1 0 474.653 4.622 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)[C@H]2C ZINC001164860641 720959099 /nfs/dbraw/zinc/95/90/99/720959099.db2.gz QPXPWHHSJAYMCC-ZDUSSCGKSA-N 1 0 452.912 4.585 20 0 JJADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164857146 721002839 /nfs/dbraw/zinc/00/28/39/721002839.db2.gz CNCAYEOCAGGRBL-NRFANRHFSA-N 1 0 457.626 4.714 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)[C@@H]2C ZINC001164864829 721020697 /nfs/dbraw/zinc/02/06/97/721020697.db2.gz ZUVGBAHWUCOAFY-GOSISDBHSA-N 1 0 489.027 4.872 20 0 JJADRO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867391 721068522 /nfs/dbraw/zinc/06/85/22/721068522.db2.gz IRIAXSLYVUMIRG-XZOQPEGZSA-N 1 0 489.982 4.964 20 0 JJADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866642 721078120 /nfs/dbraw/zinc/07/81/20/721078120.db2.gz UKFIPFWYPBJUTA-MSOLQXFVSA-N 1 0 479.358 4.961 20 0 JJADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865428 721090020 /nfs/dbraw/zinc/09/00/20/721090020.db2.gz LHAVSQPDGDGGOR-LOSJGSFVSA-N 1 0 499.018 4.734 20 0 JJADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865426 721090040 /nfs/dbraw/zinc/09/00/40/721090040.db2.gz LHAVSQPDGDGGOR-DQEYMECFSA-N 1 0 499.018 4.734 20 0 JJADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865427 721090807 /nfs/dbraw/zinc/09/08/07/721090807.db2.gz LHAVSQPDGDGGOR-JWQCQUIFSA-N 1 0 499.018 4.734 20 0 JJADRO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864872 721105218 /nfs/dbraw/zinc/10/52/18/721105218.db2.gz GZTVSJMYJQKDIS-GOTSBHOMSA-N 1 0 471.992 4.825 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)s1 ZINC001164871483 721158388 /nfs/dbraw/zinc/15/83/88/721158388.db2.gz DWVFHNFGHQGSHN-NHCUHLMSSA-N 1 0 457.603 4.541 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)s1 ZINC001164871486 721159485 /nfs/dbraw/zinc/15/94/85/721159485.db2.gz DWVFHNFGHQGSHN-RTWAWAEBSA-N 1 0 457.603 4.541 20 0 JJADRO Fc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164871078 721169439 /nfs/dbraw/zinc/16/94/39/721169439.db2.gz DIBUTTQHHTVRBF-FGZHOGPDSA-N 1 0 488.941 4.961 20 0 JJADRO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164881003 721169887 /nfs/dbraw/zinc/16/98/87/721169887.db2.gz YTTRMDRGJSPZHU-PMACEKPBSA-N 1 0 488.941 4.961 20 0 JJADRO c1ccc(Oc2ccc(-c3ccc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164881094 721172187 /nfs/dbraw/zinc/17/21/87/721172187.db2.gz ZAAVGBHCQKQJOO-SQHAQQRYSA-N 1 0 479.584 4.811 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164764982 721195591 /nfs/dbraw/zinc/19/55/91/721195591.db2.gz HJYXHVHCABCTJV-LEWJYISDSA-N 1 0 458.997 4.642 20 0 JJADRO COc1ccc2c(c1)nc(N1C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C1)cc2-c1ccccc1 ZINC001164767569 721200255 /nfs/dbraw/zinc/20/02/55/721200255.db2.gz JZUHTFUJIYZFBZ-PKTZIBPZSA-N 1 0 453.590 4.602 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@H]3C2)cn1 ZINC001164770800 721225552 /nfs/dbraw/zinc/22/55/52/721225552.db2.gz OMBPSBFESVQETO-RTBURBONSA-N 1 0 475.946 4.778 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164875822 721259879 /nfs/dbraw/zinc/25/98/79/721259879.db2.gz MKRIWIWWHWFPFB-HFASVGIHSA-N 1 0 476.665 4.967 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164879784 721260087 /nfs/dbraw/zinc/26/00/87/721260087.db2.gz YXPVPXKZOPTIBC-SKVJQKLOSA-N 1 0 462.638 4.577 20 0 JJADRO Cc1sc2nc(CN3CCCC3)nc(N(c3cccc(C)c3)[C@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164778393 721329491 /nfs/dbraw/zinc/32/94/91/721329491.db2.gz VCANJSAUQOSDBE-AMGIVPHBSA-N 1 0 477.678 4.871 20 0 JJADRO Cc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164775913 721329817 /nfs/dbraw/zinc/32/98/17/721329817.db2.gz AOHIUXWAIPNAEK-NEKDWFFYSA-N 1 0 490.051 4.656 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c(Cl)cccc43)C2)C1 ZINC001164777697 721347259 /nfs/dbraw/zinc/34/72/59/721347259.db2.gz HOJWUIVNCRXNRF-QHCPKHFHSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c(Cl)cccc43)C2)C1 ZINC001164777694 721347436 /nfs/dbraw/zinc/34/74/36/721347436.db2.gz HOJWUIVNCRXNRF-HSZRJFAPSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4ccc(C)cc43)C2)C1 ZINC001164780758 721359676 /nfs/dbraw/zinc/35/96/76/721359676.db2.gz HCCGEVWGPZALAU-VWLOTQADSA-N 1 0 455.002 4.920 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(F)ccc3-c3ccc(Cl)nn3)C2)C1 ZINC001164786144 721369546 /nfs/dbraw/zinc/36/95/46/721369546.db2.gz WOAYYJYMQXHVCZ-RUZDIDTESA-N 1 0 485.991 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccc(Cl)cc43)C2)C1 ZINC001164785204 721370729 /nfs/dbraw/zinc/37/07/29/721370729.db2.gz SJKFDGONGKNRCF-QHCPKHFHSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C2)C1 ZINC001164786055 721371898 /nfs/dbraw/zinc/37/18/98/721371898.db2.gz VFDRMMQZLLQNTC-DEOSSOPVSA-N 1 0 491.970 4.945 20 0 JJADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@]5(CCC[C@H]5COCc5ccncc5)C4)ccc3C2)cc1 ZINC001164780355 721383697 /nfs/dbraw/zinc/38/36/97/721383697.db2.gz GKNHROBAIZHETE-BHBYDHKZSA-N 1 0 484.644 4.627 20 0 JJADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@@]5(CCC[C@@H]5COCc5ccncc5)C4)ccc3C2)cc1 ZINC001164780357 721383936 /nfs/dbraw/zinc/38/39/36/721383936.db2.gz GKNHROBAIZHETE-OFSOJUDTSA-N 1 0 484.644 4.627 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164886792 721398363 /nfs/dbraw/zinc/39/83/63/721398363.db2.gz GIBPXZDIGQBJBJ-VIZCGCQYSA-N 1 0 483.660 4.576 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164890533 721419866 /nfs/dbraw/zinc/41/98/66/721419866.db2.gz SZCZRXQPTNONJE-MNNSJKJDSA-N 1 0 489.639 4.510 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)C3)O2)CC1 ZINC001164899164 721432183 /nfs/dbraw/zinc/43/21/83/721432183.db2.gz YAAZWXULUYYXPW-GIGWZHCTSA-N 1 0 456.634 4.667 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C3)O2)CC1 ZINC001164896854 721434700 /nfs/dbraw/zinc/43/47/00/721434700.db2.gz SFYZLHSYWGXBAA-RLWLMLJZSA-N 1 0 498.096 4.777 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3sc(C(C)C)cc31)CC2 ZINC001164788726 721448353 /nfs/dbraw/zinc/44/83/53/721448353.db2.gz TUNYEWGNAODHMG-FQEVSTJZSA-N 1 0 458.672 4.549 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164785991 721451587 /nfs/dbraw/zinc/45/15/87/721451587.db2.gz LFKYOALFQRFBMD-SFHVURJKSA-N 1 0 478.411 4.667 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164789408 721453879 /nfs/dbraw/zinc/45/38/79/721453879.db2.gz VNTVMTQKOJZELY-FQEVSTJZSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164785297 721456103 /nfs/dbraw/zinc/45/61/03/721456103.db2.gz IIJVSCATFHWQHF-GOSISDBHSA-N 1 0 450.048 4.684 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164786901 721457434 /nfs/dbraw/zinc/45/74/34/721457434.db2.gz OPMCBBRFFKMXPS-LJQANCHMSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164788774 721467957 /nfs/dbraw/zinc/46/79/57/721467957.db2.gz KHINXWTYUARURE-HSZRJFAPSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164788775 721468149 /nfs/dbraw/zinc/46/81/49/721468149.db2.gz KHINXWTYUARURE-QHCPKHFHSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164787487 721469161 /nfs/dbraw/zinc/46/91/61/721469161.db2.gz GCKQMZYFRFSJEE-OAQYLSRUSA-N 1 0 489.035 4.670 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164786267 721469796 /nfs/dbraw/zinc/46/97/96/721469796.db2.gz AEGHSIRRZSJALZ-XMMPIXPASA-N 1 0 482.694 4.503 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164788740 721470946 /nfs/dbraw/zinc/47/09/46/721470946.db2.gz JGRZOUAKBCISAE-HXUWFJFHSA-N 1 0 462.009 4.761 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164791255 721474120 /nfs/dbraw/zinc/47/41/20/721474120.db2.gz WCWVTUZOAYPBJG-SFHVURJKSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164787958 721474151 /nfs/dbraw/zinc/47/41/51/721474151.db2.gz GSFFSIQAPGWNGU-OAQYLSRUSA-N 1 0 484.031 4.891 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164793113 721491888 /nfs/dbraw/zinc/49/18/88/721491888.db2.gz NYLYXPRPOBBCIZ-UHFFFAOYSA-N 1 0 468.045 4.637 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164792271 721496816 /nfs/dbraw/zinc/49/68/16/721496816.db2.gz MNPGCYIRPBCSLM-UHFFFAOYSA-N 1 0 470.596 4.895 20 0 JJADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795908 721498652 /nfs/dbraw/zinc/49/86/52/721498652.db2.gz MRYMSCHOTCKIAP-UHFFFAOYSA-N 1 0 495.668 4.634 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)CC2 ZINC001164794486 721503042 /nfs/dbraw/zinc/50/30/42/721503042.db2.gz ABHMQVRRUSMAIY-UHFFFAOYSA-N 1 0 479.959 4.648 20 0 JJADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@@H+]3C2)c1 ZINC001164911932 721547396 /nfs/dbraw/zinc/54/73/96/721547396.db2.gz XORSCQCUODHQEA-AHWVRZQESA-N 1 0 475.564 4.665 20 0 JJADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[N@@H+]3C2)c1 ZINC001164906583 721553301 /nfs/dbraw/zinc/55/33/01/721553301.db2.gz KDFXYNJRRHPSJX-IEBWSBKVSA-N 1 0 458.896 4.542 20 0 JJADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)CC[N@@H+]3C2)c1 ZINC001164910229 721561861 /nfs/dbraw/zinc/56/18/61/721561861.db2.gz WBHRVMZMWQTPHQ-PZJWPPBQSA-N 1 0 474.914 4.823 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(OCc3ccccc3)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164801171 721571954 /nfs/dbraw/zinc/57/19/54/721571954.db2.gz GJQBIIOKPPQPMG-SDHSZQHLSA-N 1 0 464.997 4.577 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)nc3ccccc32)[C@@H]2CCCO[C@H]21 ZINC001164810790 721577952 /nfs/dbraw/zinc/57/79/52/721577952.db2.gz WEIVLNVKZTZMKV-TWJOJJKGSA-N 1 0 469.564 4.699 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3cnn(CC4CCOCC4)c3[C@@H]2COCC)nc1 ZINC001164902193 721579016 /nfs/dbraw/zinc/57/90/16/721579016.db2.gz CHIVIIRJFHJNFE-UIOOFZCWSA-N 1 0 481.685 4.782 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@@H]2CCCO[C@@H]12 ZINC001164804133 721585830 /nfs/dbraw/zinc/58/58/30/721585830.db2.gz IXPVHWBNIXLIRU-TXTKFYIRSA-N 1 0 482.053 4.610 20 0 JJADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164810095 721589199 /nfs/dbraw/zinc/58/91/99/721589199.db2.gz UJGKVFZOMJJNGE-JTAQYXEDSA-N 1 0 458.940 4.738 20 0 JJADRO FC1(F)CCN(c2cc(Cl)nc(Cc3ccccc3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906652 721699707 /nfs/dbraw/zinc/69/97/07/721699707.db2.gz NZFJKTKIPWRDSM-XMMPIXPASA-N 1 0 469.967 4.854 20 0 JJADRO CCOc1cc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2cc1OCC ZINC001164908132 721705244 /nfs/dbraw/zinc/70/52/44/721705244.db2.gz VWQXHTYAVYYGKS-RUZDIDTESA-N 1 0 483.563 4.560 20 0 JJADRO FC1(F)CCN(c2nc(Cl)ncc2OCc2ccccc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907839 721707451 /nfs/dbraw/zinc/70/74/51/721707451.db2.gz UNGIBBGIDSCIEZ-DEOSSOPVSA-N 1 0 485.966 4.842 20 0 JJADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908781 721712264 /nfs/dbraw/zinc/71/22/64/721712264.db2.gz ZCGLNZSKGNJZQF-OAQYLSRUSA-N 1 0 479.909 4.961 20 0 JJADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908595 721712663 /nfs/dbraw/zinc/71/26/63/721712663.db2.gz YGVSTFSDSAIGHY-HSZRJFAPSA-N 1 0 478.971 4.823 20 0 JJADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906199 721717308 /nfs/dbraw/zinc/71/73/08/721717308.db2.gz KWVCERMXNPTIEQ-OAQYLSRUSA-N 1 0 495.908 4.841 20 0 JJADRO FC1(F)CCN(c2ccc(-c3cccc(Cl)c3)nn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911779 721723977 /nfs/dbraw/zinc/72/39/77/721723977.db2.gz KJDGOONLDKCUKI-HSZRJFAPSA-N 1 0 455.940 4.930 20 0 JJADRO Cc1ccc(-c2nc3c(ncnc3N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)o2)cc1 ZINC001164909765 721725793 /nfs/dbraw/zinc/72/57/93/721725793.db2.gz DMSVPDHVRZBXHP-RUZDIDTESA-N 1 0 476.531 4.726 20 0 JJADRO Cc1cc(-c2ccccc2F)nnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913834 721734387 /nfs/dbraw/zinc/73/43/87/721734387.db2.gz YSZAZDFNDWUKMU-DEOSSOPVSA-N 1 0 453.512 4.724 20 0 JJADRO FC1(F)CCN(c2cncc(OCc3cccc(Cl)c3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164910568 721734859 /nfs/dbraw/zinc/73/48/59/721734859.db2.gz GITXLEUHHVPWRZ-XMMPIXPASA-N 1 0 485.966 4.842 20 0 JJADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccccc3)nc(Cl)c2-c2ccccc2)CC1 ZINC001165011933 721737515 /nfs/dbraw/zinc/73/75/15/721737515.db2.gz YDHCNKWZBFYMEA-UHFFFAOYSA-N 1 0 490.051 4.987 20 0 JJADRO FC(F)(N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164913722 721738697 /nfs/dbraw/zinc/73/86/97/721738697.db2.gz XBDXNTGSXQEZMH-FQEVSTJZSA-N 1 0 468.926 4.988 20 0 JJADRO CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164910755 721766755 /nfs/dbraw/zinc/76/67/55/721766755.db2.gz KTJKHHAPCQOMHB-UHFFFAOYSA-N 1 0 499.993 4.839 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C[C@@H]21 ZINC001165019559 721806011 /nfs/dbraw/zinc/80/60/11/721806011.db2.gz DCIGXMZHEWCPBX-AEGPPILISA-N 1 0 478.815 4.512 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C[C@H]21 ZINC001165019562 721806103 /nfs/dbraw/zinc/80/61/03/721806103.db2.gz DCIGXMZHEWCPBX-BPLDGKMQSA-N 1 0 478.815 4.512 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@@H]21 ZINC001165027229 721807079 /nfs/dbraw/zinc/80/70/79/721807079.db2.gz UOAIHIPZTUHPDE-RZPFDVGOSA-N 1 0 489.067 4.778 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@H]21 ZINC001165024542 721808402 /nfs/dbraw/zinc/80/84/02/721808402.db2.gz LUVBEFCGACJCKG-SAWYMBPVSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@@H]21 ZINC001165024539 721808558 /nfs/dbraw/zinc/80/85/58/721808558.db2.gz LUVBEFCGACJCKG-QGCDCVKKSA-N 1 0 457.956 4.960 20 0 JJADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026856 721810690 /nfs/dbraw/zinc/81/06/90/721810690.db2.gz RTWJNIDWHMDGJN-RBDMOPTHSA-N 1 0 480.012 4.592 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)nc1 ZINC001164915494 721811520 /nfs/dbraw/zinc/81/15/20/721811520.db2.gz BDPBZWMYDIQSEI-ILSIFQBBSA-N 1 0 456.656 4.676 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)C[C@@H]21 ZINC001165026800 721813737 /nfs/dbraw/zinc/81/37/37/721813737.db2.gz RFZAWXFWZDMAGZ-ACIOBRDBSA-N 1 0 464.013 4.841 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C[C@@H]21 ZINC001165022764 721817115 /nfs/dbraw/zinc/81/71/15/721817115.db2.gz HDBZWQYGIMMYJQ-TYCQWZJGSA-N 1 0 468.964 4.588 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C[C@H]21 ZINC001165030149 721821090 /nfs/dbraw/zinc/82/10/90/721821090.db2.gz YBKUSONOENEDNK-LGPLSSKUSA-N 1 0 465.601 4.857 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@H]21 ZINC001165020677 721822581 /nfs/dbraw/zinc/82/25/81/721822581.db2.gz DDUZCDNBPWYKHU-HMXCVIKNSA-N 1 0 484.982 4.869 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@@H]21 ZINC001165026769 721826313 /nfs/dbraw/zinc/82/63/13/721826313.db2.gz QCYDLXUVWRGMDS-SLYNCCJLSA-N 1 0 484.982 4.869 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C[C@@H]21 ZINC001165022258 721829683 /nfs/dbraw/zinc/82/96/83/721829683.db2.gz GVCCNCBUQPCALS-RBDMOPTHSA-N 1 0 457.018 4.822 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@@H]21 ZINC001165027823 721832577 /nfs/dbraw/zinc/83/25/77/721832577.db2.gz UCZFXGINUQKXLY-BHYGNILZSA-N 1 0 479.000 4.503 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(-c3c[nH]c4ccccc43)n2)CC1 ZINC001165022323 721840945 /nfs/dbraw/zinc/84/09/45/721840945.db2.gz RDVQOFSEOOVQRW-UHFFFAOYSA-N 1 0 457.578 4.743 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2ccn3Cc2ccccc2)CC1 ZINC001165020498 721841675 /nfs/dbraw/zinc/84/16/75/721841675.db2.gz FFLZOQZSRKBTLP-UHFFFAOYSA-N 1 0 471.605 4.598 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC001165021176 721841926 /nfs/dbraw/zinc/84/19/26/721841926.db2.gz GAYSAQBHXDOJPB-UHFFFAOYSA-N 1 0 452.986 4.915 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(Oc3cccc(F)c3)n2)CC1 ZINC001165021254 721842913 /nfs/dbraw/zinc/84/29/13/721842913.db2.gz JMPDFXJYKOCDEU-UHFFFAOYSA-N 1 0 452.530 4.526 20 0 JJADRO COc1cc(Oc2ccnc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c2)ccc1OCc1ccccc1 ZINC001164925966 721874400 /nfs/dbraw/zinc/87/44/00/721874400.db2.gz PHVZCFDGWSSWRJ-UIOOFZCWSA-N 1 0 488.632 4.676 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933570 721878956 /nfs/dbraw/zinc/87/89/56/721878956.db2.gz MYMLUDMBTJBXPQ-PKTZIBPZSA-N 1 0 470.646 4.635 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933566 721879043 /nfs/dbraw/zinc/87/90/43/721879043.db2.gz MYMLUDMBTJBXPQ-DHIUTWEWSA-N 1 0 470.646 4.635 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934412 721879341 /nfs/dbraw/zinc/87/93/41/721879341.db2.gz RLNLGODVTXKLMM-SFTDATJTSA-N 1 0 479.719 4.687 20 0 JJADRO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@@H]5[C@H]4CC[N@H+]5CCN(C)C)c23)cc1 ZINC001164935058 721880274 /nfs/dbraw/zinc/88/02/74/721880274.db2.gz VERRTMCQHVIRBY-DNQXCXABSA-N 1 0 484.673 4.943 20 0 JJADRO c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@]5(C4)COCc4cnc(-c6ccccc6)nc45)ccc3C2)cc1 ZINC001164928943 721898560 /nfs/dbraw/zinc/89/85/60/721898560.db2.gz SPKUMEANWTZKCD-WJOKGBTCSA-N 1 0 489.623 4.775 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1Cl ZINC001164939376 721923226 /nfs/dbraw/zinc/92/32/26/721923226.db2.gz KPYVWXRZBUBRJD-UHFFFAOYSA-N 1 0 478.420 4.745 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4ccn5Cc4cccc(F)c4)CC3)C2)cc1 ZINC001164940587 721927301 /nfs/dbraw/zinc/92/73/01/721927301.db2.gz ULVMMBWEFJVFEB-UHFFFAOYSA-N 1 0 485.607 4.799 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)CC3)C2)cc1 ZINC001164938698 721930584 /nfs/dbraw/zinc/93/05/84/721930584.db2.gz DVMWZOPVDLXILB-UHFFFAOYSA-N 1 0 499.993 4.917 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(-c5cccnc5)nc5ccccc54)CC3)C2)cc1 ZINC001164938737 721930670 /nfs/dbraw/zinc/93/06/70/721930670.db2.gz FXYVJWJHXNKREN-UHFFFAOYSA-N 1 0 465.601 4.872 20 0 JJADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC(CCc3ccccc3)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165045150 721939974 /nfs/dbraw/zinc/93/99/74/721939974.db2.gz VZODZYKJGCMTKI-DEOSSOPVSA-N 1 0 478.681 4.730 20 0 JJADRO CC[NH+](CC)C1CCN([C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)CC1 ZINC001165052867 722003949 /nfs/dbraw/zinc/00/39/49/722003949.db2.gz FVNGIJIAUCHHII-QHCPKHFHSA-N 1 0 466.432 4.728 20 0 JJADRO CC[NH+](CC)C1CCN(c2nc(Cc3ccccc3)nc3sc(C(=O)OC)c(C)c32)CC1 ZINC001165053983 722005575 /nfs/dbraw/zinc/00/55/75/722005575.db2.gz VMSCZIJNKHDERC-UHFFFAOYSA-N 1 0 452.624 4.688 20 0 JJADRO Fc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164955908 722022523 /nfs/dbraw/zinc/02/25/23/722022523.db2.gz SBIAGQOEBWKNMJ-UHFFFAOYSA-N 1 0 453.949 4.949 20 0 JJADRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959060 722026171 /nfs/dbraw/zinc/02/61/71/722026171.db2.gz HQFXISUUOSVPDQ-VEEOACQBSA-N 1 0 498.671 4.936 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)c2c1C ZINC001164958823 722051165 /nfs/dbraw/zinc/05/11/65/722051165.db2.gz GWONTMDLHPHMOK-BPYKYCOYSA-N 1 0 492.693 4.594 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)c2c1C ZINC001164958829 722051188 /nfs/dbraw/zinc/05/11/88/722051188.db2.gz GWONTMDLHPHMOK-OTPAQWSUSA-N 1 0 492.693 4.594 20 0 JJADRO Clc1cc(OCc2ccccc2)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959975 722058572 /nfs/dbraw/zinc/05/85/72/722058572.db2.gz BEEHMMQZRDPODH-UHFFFAOYSA-N 1 0 479.024 4.828 20 0 JJADRO c1ccc(COc2ccc3c(c2)ncnc3N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164964306 722061782 /nfs/dbraw/zinc/06/17/82/722061782.db2.gz FSXIUVZVIPJIFG-UHFFFAOYSA-N 1 0 495.627 4.723 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3c(COCc4cncc(C)c4)cnc3[C@H]2C)nc1 ZINC001164965021 722063356 /nfs/dbraw/zinc/06/33/56/722063356.db2.gz IDFHEYPJQSAJIF-BWKNWUBXSA-N 1 0 460.626 4.826 20 0 JJADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984710 722106567 /nfs/dbraw/zinc/10/65/67/722106567.db2.gz UDGMJYSBFYJBHA-JXFKEZNVSA-N 1 0 494.373 4.604 20 0 JJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971021 722111838 /nfs/dbraw/zinc/11/18/38/722111838.db2.gz BBZIBHHGUCJEMW-DENIHFKCSA-N 1 0 458.940 4.555 20 0 JJADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975172 722130054 /nfs/dbraw/zinc/13/00/54/722130054.db2.gz FGAAFGPKTTZEDL-UTKZUKDTSA-N 1 0 473.404 4.673 20 0 JJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973416 722137935 /nfs/dbraw/zinc/13/79/35/722137935.db2.gz CDQAKWSADZUXQM-PBHICJAKSA-N 1 0 477.770 4.709 20 0 JJADRO Fc1ccc(-c2nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1F ZINC001164980270 722140472 /nfs/dbraw/zinc/14/04/72/722140472.db2.gz MJLXAUFQQAJQHH-QFQXNSOFSA-N 1 0 487.554 4.697 20 0 JJADRO Fc1ccc(-c2nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1F ZINC001164980271 722140834 /nfs/dbraw/zinc/14/08/34/722140834.db2.gz MJLXAUFQQAJQHH-RLWLMLJZSA-N 1 0 487.554 4.697 20 0 JJADRO Fc1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164980267 722141870 /nfs/dbraw/zinc/14/18/70/722141870.db2.gz MITYTUGLKATBKA-NVQXNPDNSA-N 1 0 469.564 4.558 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)s1 ZINC001164984256 722145914 /nfs/dbraw/zinc/14/59/14/722145914.db2.gz XATMAUYURSOCBL-URXFXBBRSA-N 1 0 471.630 4.789 20 0 JJADRO c1ccc(-c2ccc(-c3ccc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)nn3)cc2)cc1 ZINC001164978116 722147815 /nfs/dbraw/zinc/14/78/15/722147815.db2.gz JZJLZSSKCGMBHN-XRKRLSELSA-N 1 0 477.612 4.933 20 0 JJADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164980915 722149065 /nfs/dbraw/zinc/14/90/65/722149065.db2.gz NTQXWRVMVLDZLT-QPPBQGQZSA-N 1 0 464.013 4.536 20 0 JJADRO Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1Cl ZINC001164972147 722152443 /nfs/dbraw/zinc/15/24/43/722152443.db2.gz GAPOIMGERAVSBL-GHTZIAJQSA-N 1 0 488.394 4.712 20 0 JJADRO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977145 722154765 /nfs/dbraw/zinc/15/47/65/722154765.db2.gz XOJLNBVONLENNE-PGRDOPGGSA-N 1 0 486.403 4.698 20 0 JJADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973003 722155656 /nfs/dbraw/zinc/15/56/56/722155656.db2.gz JRXNCSQAYWFLEC-QPPBQGQZSA-N 1 0 480.012 4.607 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971574 722158822 /nfs/dbraw/zinc/15/88/22/722158822.db2.gz BSTRDMCODGEIMK-XXBNENTESA-N 1 0 476.999 4.671 20 0 JJADRO c1ccc(C[N@@H+]2CCc3nc(N4CCC[C@]5(C[C@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976777 722164423 /nfs/dbraw/zinc/16/44/23/722164423.db2.gz CVSMJZYNSCLKPF-WNJJXGMVSA-N 1 0 461.650 4.975 20 0 JJADRO c1ccc(C[N@@H+]2CCc3nc(N4CCC[C@]5(C[C@@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976772 722164593 /nfs/dbraw/zinc/16/45/93/722164593.db2.gz CVSMJZYNSCLKPF-UHSQPCAPSA-N 1 0 461.650 4.975 20 0 JJADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995977 722205237 /nfs/dbraw/zinc/20/52/37/722205237.db2.gz QZFQXTIHYDYBJH-LNMUWQJVSA-N 1 0 494.611 4.636 20 0 JJADRO COc1ccc(-c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)c(OC)c1OC ZINC001164998770 722211617 /nfs/dbraw/zinc/21/16/17/722211617.db2.gz XOPZUXRVIWSMDX-MHZLTWQESA-N 1 0 478.568 4.553 20 0 JJADRO COc1ccc2c(c1)nc(N1CCCn3cnc(COCC[NH+](C)C)c3C1)cc2-c1ccccc1 ZINC001165005003 722256204 /nfs/dbraw/zinc/25/62/04/722256204.db2.gz ZNJSIKKVLUOVCD-UHFFFAOYSA-N 1 0 471.605 4.595 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc(Oc4ccccc4)cc3)nn1)CCC2 ZINC001165004096 722257462 /nfs/dbraw/zinc/25/74/62/722257462.db2.gz MWRIUNOFQOTNLA-UHFFFAOYSA-N 1 0 484.604 4.621 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](OCc4csc(C)n4)CO3)CC2)nc1 ZINC001165009039 722273292 /nfs/dbraw/zinc/27/32/92/722273292.db2.gz NIXCOXRSQSEIDU-PKTZIBPZSA-N 1 0 456.656 4.738 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](OCc4csc(C)n4)CO3)CC2)nc1 ZINC001165009037 722273352 /nfs/dbraw/zinc/27/33/52/722273352.db2.gz NIXCOXRSQSEIDU-GOTSBHOMSA-N 1 0 456.656 4.738 20 0 JJADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCCCCC[NH+]1CCCC1 ZINC001359715313 1064263325 /nfs/dbraw/zinc/26/33/25/1064263325.db2.gz XDXIPELTVIMTQC-QFIPXVFZSA-N 1 0 476.710 4.893 20 0 JJADRO CC(C)c1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359719331 1064266625 /nfs/dbraw/zinc/26/66/25/1064266625.db2.gz JIHVZFBOACVYME-UHFFFAOYSA-N 1 0 456.654 4.517 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359720531 1064268032 /nfs/dbraw/zinc/26/80/32/1064268032.db2.gz VSKZLLROCPLOID-UHFFFAOYSA-N 1 0 464.580 4.760 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001545862205 1064270211 /nfs/dbraw/zinc/27/02/11/1064270211.db2.gz CHFNKTSIZYNAML-RTWAWAEBSA-N 1 0 460.711 4.581 20 0 JJADRO CC(C)c1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001359723924 1064271726 /nfs/dbraw/zinc/27/17/26/1064271726.db2.gz BWZWNGIKFBNKQB-JOCHJYFZSA-N 1 0 477.600 4.845 20 0 JJADRO CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001359726960 1064273517 /nfs/dbraw/zinc/27/35/17/1064273517.db2.gz BNNCSXMQNOOYAE-SFHLNBCPSA-N 1 0 488.702 4.650 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545866080 1064276027 /nfs/dbraw/zinc/27/60/27/1064276027.db2.gz UQYADDRZYXTWTJ-XMMPIXPASA-N 1 0 480.701 4.660 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CC=CCC2)C1 ZINC001359729036 1064277993 /nfs/dbraw/zinc/27/79/93/1064277993.db2.gz QXYVYEQOUKKGPJ-KRWDZBQOSA-N 1 0 464.477 4.903 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2CC)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545868648 1064280595 /nfs/dbraw/zinc/28/05/95/1064280595.db2.gz UNDBVZULVBADEH-VJBMBRPKSA-N 1 0 458.695 4.618 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545870219 1064282602 /nfs/dbraw/zinc/28/26/02/1064282602.db2.gz IXHYMZVWAOIYJJ-NJYVYQBISA-N 1 0 484.689 4.540 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H]1CC[C@H](C)C1 ZINC001545870144 1064282685 /nfs/dbraw/zinc/28/26/85/1064282685.db2.gz HMNHKGKWNOKNAP-FIXSFTCYSA-N 1 0 480.701 4.734 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001545870382 1064284062 /nfs/dbraw/zinc/28/40/62/1064284062.db2.gz MUHQYSBLBKKBPE-WIOPSUGQSA-N 1 0 498.691 4.840 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001545870634 1064285272 /nfs/dbraw/zinc/28/52/72/1064285272.db2.gz SASGIBNYHXQBIG-UPVQGACJSA-N 1 0 480.701 4.763 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC)(CC)C2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001545874367 1064290438 /nfs/dbraw/zinc/29/04/38/1064290438.db2.gz PCVMDMGBDZMVPU-UHFFFAOYSA-N 1 0 481.689 4.565 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@@H]1SCCc2ccccc21 ZINC001545878784 1064294821 /nfs/dbraw/zinc/29/48/21/1064294821.db2.gz ASXIVBQXDWHEJC-DEOSSOPVSA-N 1 0 498.741 4.538 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(F)c(F)cc1Br ZINC001545879770 1064295531 /nfs/dbraw/zinc/29/55/31/1064295531.db2.gz FWSUYXUZMVVTHZ-OAHLLOKOSA-N 1 0 453.327 4.560 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001359739276 1064306379 /nfs/dbraw/zinc/30/63/79/1064306379.db2.gz PEHLQOZSJNZTQQ-GJZGRUSLSA-N 1 0 452.466 4.734 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001359740295 1064309682 /nfs/dbraw/zinc/30/96/82/1064309682.db2.gz RICUSCSZOHQAKX-QFIPXVFZSA-N 1 0 453.034 4.998 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cnc4c(cnn4CC(C)C)c3)cc2Cl)CC1 ZINC001434879800 1064312112 /nfs/dbraw/zinc/31/21/12/1064312112.db2.gz AWOZSHLUDIFAQL-UHFFFAOYSA-N 1 0 455.006 4.525 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc(OC)cc3)cc2Cl)CC1 ZINC001434880731 1064312887 /nfs/dbraw/zinc/31/28/87/1064312887.db2.gz JZFGCUITVJJNOP-UHFFFAOYSA-N 1 0 454.958 4.788 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cccnc3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CCS1 ZINC001359749451 1064338019 /nfs/dbraw/zinc/33/80/19/1064338019.db2.gz RBBICGTUORKYMZ-XUZZJYLKSA-N 1 0 464.683 4.829 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H](c2ccco2)[NH+](C)C)CCS1 ZINC001359754372 1064345090 /nfs/dbraw/zinc/34/50/90/1064345090.db2.gz DITHTRCQWCPXIH-JTHBVZDNSA-N 1 0 453.656 4.537 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC2([NH+](C)C)CCCCC2)CCS1 ZINC001359754951 1064346503 /nfs/dbraw/zinc/34/65/03/1064346503.db2.gz PDEFNMYEIPHKLF-HSZRJFAPSA-N 1 0 471.715 4.742 20 0 JJADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1 ZINC001434922081 1064350572 /nfs/dbraw/zinc/35/05/72/1064350572.db2.gz QRDPEIVKSHPPNY-UHFFFAOYSA-N 1 0 453.587 4.639 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC001434923711 1064351890 /nfs/dbraw/zinc/35/18/90/1064351890.db2.gz ZJJVRBFDFONFPT-ZDUSSCGKSA-N 1 0 459.434 4.756 20 0 JJADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C(=O)NCCc1ccccc1 ZINC001434925145 1064353501 /nfs/dbraw/zinc/35/35/01/1064353501.db2.gz PUJTURDPWIOWET-VWLOTQADSA-N 1 0 455.602 4.818 20 0 JJADRO CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001359760764 1064370199 /nfs/dbraw/zinc/37/01/99/1064370199.db2.gz YXKQGTRXUMQQSM-JYFHCDHNSA-N 1 0 471.665 4.626 20 0 JJADRO CC(C)CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001359763166 1064378285 /nfs/dbraw/zinc/37/82/85/1064378285.db2.gz GMNZLCXYLGYOSS-UHFFFAOYSA-N 1 0 468.690 4.993 20 0 JJADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001434963975 1064378995 /nfs/dbraw/zinc/37/89/95/1064378995.db2.gz WPZGUZHTHCKIIM-SFHVURJKSA-N 1 0 451.014 4.556 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1CCSC1)[NH+](C)C ZINC001359764434 1064383828 /nfs/dbraw/zinc/38/38/28/1064383828.db2.gz AZOMAOQHYATLFU-MOPGFXCFSA-N 1 0 466.493 4.626 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+](C)C ZINC001359764459 1064383919 /nfs/dbraw/zinc/38/39/19/1064383919.db2.gz BHALRDKTQLHHAM-XLIONFOSSA-N 1 0 478.479 4.688 20 0 JJADRO CC(C)C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CCC(C)CC1)[NH+](C)C ZINC001359764484 1064383949 /nfs/dbraw/zinc/38/39/49/1064383949.db2.gz BZNQOKCVJCDZBR-HXJXPZHGSA-N 1 0 489.108 4.853 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1[C@H]1CCCO1)[NH+](C)C ZINC001359765087 1064386685 /nfs/dbraw/zinc/38/66/85/1064386685.db2.gz PNRJPYVXCTYVOY-LNGMVNIQSA-N 1 0 473.637 4.681 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC001359765128 1064386768 /nfs/dbraw/zinc/38/67/68/1064386768.db2.gz QIYUQEOCUSXTNH-ZFJSRUIDSA-N 1 0 483.636 4.609 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1[C@H]1CCCO1)[NH+](C)C ZINC001359765086 1064386779 /nfs/dbraw/zinc/38/67/79/1064386779.db2.gz PNRJPYVXCTYVOY-JXKFMYIUSA-N 1 0 473.637 4.681 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001359765127 1064386863 /nfs/dbraw/zinc/38/68/63/1064386863.db2.gz QIYUQEOCUSXTNH-KWOQKUFVSA-N 1 0 483.636 4.609 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359765680 1064388823 /nfs/dbraw/zinc/38/88/23/1064388823.db2.gz AGYJQTGDHMMACP-SFTDATJTSA-N 1 0 496.656 4.771 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](COc2ccccc2)C1)[NH+](C)C ZINC001359765744 1064388837 /nfs/dbraw/zinc/38/88/37/1064388837.db2.gz AZMAKPZWZJBPDZ-UNMCSNQZSA-N 1 0 483.060 4.875 20 0 JJADRO CCCN(C(=O)c1ccc(NC(=O)N(C)C)cc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001434974651 1064389540 /nfs/dbraw/zinc/38/95/40/1064389540.db2.gz GOWMNBMMKPJZBR-OAQYLSRUSA-N 1 0 457.018 4.950 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(C1)CCCOC2)[NH+](C)C ZINC001359766092 1064390089 /nfs/dbraw/zinc/39/00/89/1064390089.db2.gz HZNFXYXJAGIYFX-DVECYGJZSA-N 1 0 464.029 4.721 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001359766242 1064391012 /nfs/dbraw/zinc/39/10/12/1064391012.db2.gz KBSMYNFRZRUFSW-RGZWJVDOSA-N 1 0 496.483 4.612 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCCCO1)[NH+](C)C ZINC001359766264 1064391028 /nfs/dbraw/zinc/39/10/28/1064391028.db2.gz KKGSXOUCCQILGL-OALUTQOASA-N 1 0 496.469 4.828 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC2(CCOCC2)C1)[NH+](C)C ZINC001359766314 1064391136 /nfs/dbraw/zinc/39/11/36/1064391136.db2.gz LGWWYHQZRMVJMI-OAQYLSRUSA-N 1 0 478.106 4.677 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CC(F)C1)[NH+](C)C ZINC001359766338 1064391822 /nfs/dbraw/zinc/39/18/22/1064391822.db2.gz LUTCSNRYXAMKAG-RRWXTXHCSA-N 1 0 466.443 4.868 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cccs2)CC1)[NH+](C)C ZINC001359766459 1064392497 /nfs/dbraw/zinc/39/24/97/1064392497.db2.gz NYLXJUBWJAFQKH-JOCHJYFZSA-N 1 0 487.117 4.959 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001359766521 1064392758 /nfs/dbraw/zinc/39/27/58/1064392758.db2.gz PCUSNLCEAWAWFK-OWCLPIDISA-N 1 0 454.482 4.838 20 0 JJADRO C[C@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434977223 1064392702 /nfs/dbraw/zinc/39/27/02/1064392702.db2.gz HNGACOMQBCBBOU-HNNXBMFYSA-N 1 0 458.990 4.845 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccccc1F)[NH+](C)C ZINC001359766634 1064393650 /nfs/dbraw/zinc/39/36/50/1064393650.db2.gz QSHXEPLBUDJRSK-LJQANCHMSA-N 1 0 491.453 4.830 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001359766797 1064394304 /nfs/dbraw/zinc/39/43/04/1064394304.db2.gz URDFHZWTPSPMJV-NTKDMRAZSA-N 1 0 463.070 4.611 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC001359766855 1064394622 /nfs/dbraw/zinc/39/46/22/1064394622.db2.gz VZPLEXOFTZIMGK-CTNGQTDRSA-N 1 0 455.647 4.565 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)[NH+](C)C ZINC001359767047 1064395325 /nfs/dbraw/zinc/39/53/25/1064395325.db2.gz ZNZOWQHCRKJOPQ-KURKYZTESA-N 1 0 496.519 4.751 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001359767276 1064396182 /nfs/dbraw/zinc/39/61/82/1064396182.db2.gz DONNBPRBFYABRH-HXUWFJFHSA-N 1 0 460.548 4.972 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CCc1ccc(Br)cc1)[NH+](C)C ZINC001359767644 1064397144 /nfs/dbraw/zinc/39/71/44/1064397144.db2.gz LUFAWDRECKUMHF-OAQYLSRUSA-N 1 0 485.474 4.758 20 0 JJADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434980389 1064397143 /nfs/dbraw/zinc/39/71/43/1064397143.db2.gz RBQTXYVCSLQBEH-GJZGRUSLSA-N 1 0 454.373 4.529 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1)[NH+](C)C ZINC001359768437 1064397683 /nfs/dbraw/zinc/39/76/83/1064397683.db2.gz AKYDMOVHXYCLKK-CWMYXNQWSA-N 1 0 459.704 4.847 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1)[NH+](C)C ZINC001359768159 1064397846 /nfs/dbraw/zinc/39/78/46/1064397846.db2.gz VKPHMUYYNSJQHY-AZUAARDMSA-N 1 0 485.702 4.581 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CCc1ccc(Br)cc1)[NH+](C)C ZINC001359768166 1064397864 /nfs/dbraw/zinc/39/78/64/1064397864.db2.gz VMHVOHIMVUWXRH-QFIPXVFZSA-N 1 0 485.474 4.758 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1Cc2cccc(Br)c2C1)[NH+](C)C ZINC001359768223 1064397880 /nfs/dbraw/zinc/39/78/80/1064397880.db2.gz WRTXJZSXQLIMFD-GOSISDBHSA-N 1 0 471.447 4.543 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001359768879 1064398762 /nfs/dbraw/zinc/39/87/62/1064398762.db2.gz GWHOUDIXQOZZJU-RTWAWAEBSA-N 1 0 457.667 4.802 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1F)C1CC1)[NH+](C)C ZINC001359769142 1064399124 /nfs/dbraw/zinc/39/91/24/1064399124.db2.gz LAKLVXCZPNSCMZ-KNQAVFIVSA-N 1 0 461.601 4.596 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359769578 1064400223 /nfs/dbraw/zinc/40/02/23/1064400223.db2.gz RGCKPOXBBKFISZ-KSEOMHKRSA-N 1 0 476.710 4.652 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)[NH+](C)C ZINC001359769985 1064400828 /nfs/dbraw/zinc/40/08/28/1064400828.db2.gz XMKPSSRMHUYWML-PMACEKPBSA-N 1 0 481.611 4.969 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+](C)C ZINC001359769917 1064400877 /nfs/dbraw/zinc/40/08/77/1064400877.db2.gz WPCNTVVZUBXDIK-HSZRJFAPSA-N 1 0 460.617 4.517 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)[NH+](C)C ZINC001359769986 1064401010 /nfs/dbraw/zinc/40/10/10/1064401010.db2.gz XMKPSSRMHUYWML-UXHICEINSA-N 1 0 481.611 4.969 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(Oc2ncccc2F)CC1)[NH+](C)C ZINC001359771341 1064404307 /nfs/dbraw/zinc/40/43/07/1064404307.db2.gz UWLYDBGCFDCRSP-NRFANRHFSA-N 1 0 472.653 4.569 20 0 JJADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001359771227 1064404488 /nfs/dbraw/zinc/40/44/88/1064404488.db2.gz SOIJVAJEORWQCG-GJZUVCINSA-N 1 0 476.109 4.680 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1)[NH+](C)C ZINC001359771514 1064405089 /nfs/dbraw/zinc/40/50/89/1064405089.db2.gz YRXBKVVLXMQBGM-YADHBBJMSA-N 1 0 483.060 4.551 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H]1Cc1cccs1)[NH+](C)C ZINC001359771523 1064405148 /nfs/dbraw/zinc/40/51/48/1064405148.db2.gz YTOHAGBSCCGLNM-FCHUYYIVSA-N 1 0 452.672 4.513 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001359771450 1064405189 /nfs/dbraw/zinc/40/51/89/1064405189.db2.gz XNOIRMSDNHXPLJ-OFVILXPXSA-N 1 0 498.716 4.929 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCCC1(C)C)[NH+](C)C ZINC001359771679 1064405841 /nfs/dbraw/zinc/40/58/41/1064405841.db2.gz BBVVLBXBNYRHSY-IBGZPJMESA-N 1 0 478.479 4.975 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2F)CC1)[NH+](C)C ZINC001359771732 1064405904 /nfs/dbraw/zinc/40/59/04/1064405904.db2.gz CEJMHAZDGOYKAY-NRFANRHFSA-N 1 0 474.644 4.592 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1Br)[NH+](C)C ZINC001359771744 1064406131 /nfs/dbraw/zinc/40/61/31/1064406131.db2.gz CMCDKPCDIXGRQL-AZUAARDMSA-N 1 0 464.452 4.505 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001359771838 1064406750 /nfs/dbraw/zinc/40/67/50/1064406750.db2.gz FGRDDKAJWADPFL-YTFSRNRJSA-N 1 0 459.654 4.949 20 0 JJADRO CC(C)C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001359772030 1064407054 /nfs/dbraw/zinc/40/70/54/1064407054.db2.gz IARVWGIGUCOPDI-NRFANRHFSA-N 1 0 460.464 4.529 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCCc2sccc2C1)[NH+](C)C ZINC001359772256 1064408239 /nfs/dbraw/zinc/40/82/39/1064408239.db2.gz MBVIKRGWJKKDDV-NRFANRHFSA-N 1 0 471.646 4.987 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)C)C1)[NH+](C)C ZINC001359772385 1064408263 /nfs/dbraw/zinc/40/82/63/1064408263.db2.gz OPROTKYLQHRBSK-UKILVPOCSA-N 1 0 485.717 4.992 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001359772361 1064408306 /nfs/dbraw/zinc/40/83/06/1064408306.db2.gz OAQVJRCNXIQXPV-CBPXPLCBSA-N 1 0 476.710 4.809 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1)[NH+](C)C ZINC001359772331 1064408346 /nfs/dbraw/zinc/40/83/46/1064408346.db2.gz NPYPZNFUFGKRRP-LIONHTAISA-N 1 0 469.674 4.710 20 0 JJADRO CC(C)CC1(Cn2c(-c3ccccc3Cl)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001359773264 1064410711 /nfs/dbraw/zinc/41/07/11/1064410711.db2.gz KBOTXARGXYEJJM-UHFFFAOYSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359774930 1064416534 /nfs/dbraw/zinc/41/65/34/1064416534.db2.gz FJZNFJKKHJYAHT-WJXDBAKQSA-N 1 0 459.704 4.676 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359775133 1064417006 /nfs/dbraw/zinc/41/70/06/1064417006.db2.gz JEJOREFZRSRTAB-UCHAVIOPSA-N 1 0 459.704 4.532 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(Br)c(F)cc2C)ccc1OC ZINC001435002154 1064417250 /nfs/dbraw/zinc/41/72/50/1064417250.db2.gz HBBCMFKDISONPM-UHFFFAOYSA-N 1 0 453.352 4.878 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359775339 1064418091 /nfs/dbraw/zinc/41/80/91/1064418091.db2.gz NUPSQHSIGCFIBT-MPEABJBUSA-N 1 0 459.704 4.532 20 0 JJADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001359777213 1064420416 /nfs/dbraw/zinc/42/04/16/1064420416.db2.gz DOCGQLNRCFWMHH-XZOQPEGZSA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CCOC1CCCCCC1 ZINC001359777207 1064420460 /nfs/dbraw/zinc/42/04/60/1064420460.db2.gz DNMRXZHGUZYQDJ-XMMPIXPASA-N 1 0 453.675 4.927 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359777432 1064421326 /nfs/dbraw/zinc/42/13/26/1064421326.db2.gz JYMFQZXXMQEMHM-ILBGXUMGSA-N 1 0 452.691 4.704 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@H]1CSCCS1 ZINC001359777495 1064421446 /nfs/dbraw/zinc/42/14/46/1064421446.db2.gz LIVYECBNHCEBLR-WWNPGLIZSA-N 1 0 473.756 4.815 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCC[C@H]1CCCCO1 ZINC001359777827 1064422194 /nfs/dbraw/zinc/42/21/94/1064422194.db2.gz RUWGVSJBOXEJSY-JWQCQUIFSA-N 1 0 453.675 4.927 20 0 JJADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001359777801 1064422247 /nfs/dbraw/zinc/42/22/47/1064422247.db2.gz RGPBCCWWGFJVBI-HHHXNRCGSA-N 1 0 453.675 4.519 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359779219 1064425283 /nfs/dbraw/zinc/42/52/83/1064425283.db2.gz GSAUVFOARIMVJX-IRXDYDNUSA-N 1 0 498.535 4.825 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359780249 1064428728 /nfs/dbraw/zinc/42/87/28/1064428728.db2.gz OSIAJUJGBOKVSX-IBGZPJMESA-N 1 0 467.580 4.633 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccc(Br)o2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359780548 1064430477 /nfs/dbraw/zinc/43/04/77/1064430477.db2.gz ZWPRTWKSIGPHHC-KRWDZBQOSA-N 1 0 452.441 4.733 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359783442 1064435184 /nfs/dbraw/zinc/43/51/84/1064435184.db2.gz ZAOARQFJDITUIG-GPXOXTDOSA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CCC1=CCCCC1 ZINC001359785246 1064438678 /nfs/dbraw/zinc/43/86/78/1064438678.db2.gz FWVVHIXMADLQAA-UHFFFAOYSA-N 1 0 450.675 4.626 20 0 JJADRO CC(C)Cc1nnc(N(C)CCOc2ccccc2Cl)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359786103 1064439569 /nfs/dbraw/zinc/43/95/69/1064439569.db2.gz LIZZHNMBRARVDA-PMACEKPBSA-N 1 0 478.081 4.533 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1 ZINC001435035405 1064451835 /nfs/dbraw/zinc/45/18/35/1064451835.db2.gz WOFHGGVHFPSDHL-UHFFFAOYSA-N 1 0 456.590 4.734 20 0 JJADRO C[NH+](C)CCCN(C(=O)c1ccc2c(c1)SCC(=O)N2)C(c1ccccc1)c1ccccc1 ZINC001435040769 1064457090 /nfs/dbraw/zinc/45/70/90/1064457090.db2.gz JSHUOJZKLSSYHM-UHFFFAOYSA-N 1 0 459.615 4.914 20 0 JJADRO O=C(CCCNC(=O)OCc1ccccc1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001435048148 1064464489 /nfs/dbraw/zinc/46/44/89/1064464489.db2.gz VZXJHWNAPPAHFW-HSZRJFAPSA-N 1 0 458.002 4.517 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CCC[NH+]1CCCC1 ZINC001359800050 1064466905 /nfs/dbraw/zinc/46/69/05/1064466905.db2.gz BMESOKUSONVESL-DEOSSOPVSA-N 1 0 460.066 4.566 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001359800509 1064467771 /nfs/dbraw/zinc/46/77/71/1064467771.db2.gz HPIMBASIFMSBCA-CYFREDJKSA-N 1 0 460.066 4.564 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359800775 1064467856 /nfs/dbraw/zinc/46/78/56/1064467856.db2.gz KTXNAFGESRCCGS-VWLOTQADSA-N 1 0 471.665 4.830 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001359800855 1064467865 /nfs/dbraw/zinc/46/78/65/1064467865.db2.gz LNLCPXBHOJQTJG-NLFFAJNJSA-N 1 0 474.093 4.812 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359801520 1064469615 /nfs/dbraw/zinc/46/96/15/1064469615.db2.gz WTCUQGIAWKGOGR-VXKWHMMOSA-N 1 0 490.737 4.728 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1Cc1cccnc1OCC(F)F ZINC001359802441 1064470774 /nfs/dbraw/zinc/47/07/74/1064470774.db2.gz OEBXCTPZBNVPLE-OAQYLSRUSA-N 1 0 498.622 4.665 20 0 JJADRO CC(C)Cc1nnc(N2CCC(c3ccnn3C)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359804907 1064473462 /nfs/dbraw/zinc/47/34/62/1064473462.db2.gz HMJQXXCTXNNAMB-JOCHJYFZSA-N 1 0 463.674 4.505 20 0 JJADRO Cc1ccccc1COc1cccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC001435061935 1064479682 /nfs/dbraw/zinc/47/96/82/1064479682.db2.gz AQLNETCRUYNRKG-UHFFFAOYSA-N 1 0 452.545 4.985 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCOc1cccc(Cl)c1 ZINC001359809099 1064482535 /nfs/dbraw/zinc/48/25/35/1064482535.db2.gz GRMPGVUBHCRKGH-OYRHEFFESA-N 1 0 490.092 4.535 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359809166 1064482631 /nfs/dbraw/zinc/48/26/31/1064482631.db2.gz IRTSPVFYPQNXEZ-QHCPKHFHSA-N 1 0 497.581 4.646 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359809273 1064483497 /nfs/dbraw/zinc/48/34/97/1064483497.db2.gz LQLNHYBZLIZYED-XMMPIXPASA-N 1 0 481.710 4.663 20 0 JJADRO COc1cc(Br)cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001435065785 1064485257 /nfs/dbraw/zinc/48/52/57/1064485257.db2.gz QCBDPRRHPNFSRL-UHFFFAOYSA-N 1 0 459.306 4.681 20 0 JJADRO CC(C)Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001359811036 1064485998 /nfs/dbraw/zinc/48/59/98/1064485998.db2.gz BPHFXXYHUNXFBB-IBGZPJMESA-N 1 0 469.600 4.510 20 0 JJADRO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359811303 1064486663 /nfs/dbraw/zinc/48/66/63/1064486663.db2.gz KEWMQIKNCHZLKE-FQEVSTJZSA-N 1 0 462.086 4.536 20 0 JJADRO CC(C)Cc1nnc(N2CCC(N3CCc4ccccc43)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001359811833 1064488320 /nfs/dbraw/zinc/48/83/20/1064488320.db2.gz AKQKDZAMVKMBIN-UHFFFAOYSA-N 1 0 452.691 4.627 20 0 JJADRO CC(C)Cc1nnc(N2CCC(N3CCc4cc(F)ccc43)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001359812312 1064489249 /nfs/dbraw/zinc/48/92/49/1064489249.db2.gz KOEZXJWCYAGGBX-UHFFFAOYSA-N 1 0 470.681 4.766 20 0 JJADRO COc1c(Br)cccc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001435069410 1064491252 /nfs/dbraw/zinc/49/12/52/1064491252.db2.gz XQHGILICIWTPOR-UHFFFAOYSA-N 1 0 451.792 4.849 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359814825 1064493788 /nfs/dbraw/zinc/49/37/88/1064493788.db2.gz BNSATRBRAWSAPG-DHIUTWEWSA-N 1 0 467.702 4.721 20 0 JJADRO CC(C)Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359814810 1064493869 /nfs/dbraw/zinc/49/38/69/1064493869.db2.gz BFHQTWRWDGNDGX-HSZRJFAPSA-N 1 0 475.628 4.923 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359815770 1064497050 /nfs/dbraw/zinc/49/70/50/1064497050.db2.gz VAAZVNLMOPEGDO-FQEVSTJZSA-N 1 0 475.628 4.507 20 0 JJADRO CC(C)Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001359815743 1064497085 /nfs/dbraw/zinc/49/70/85/1064497085.db2.gz UADCIYLEJONPDV-LJQANCHMSA-N 1 0 461.601 4.535 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001359815877 1064498102 /nfs/dbraw/zinc/49/81/02/1064498102.db2.gz YJSIIZVLIDKXPT-UHFFFAOYSA-N 1 0 475.628 4.507 20 0 JJADRO CC(C)Cc1nnc(N2CCc3cc(Br)ccc3C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359823367 1064505637 /nfs/dbraw/zinc/50/56/37/1064505637.db2.gz SBPMIYPOBJVNOZ-FQEVSTJZSA-N 1 0 472.431 4.698 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001359825800 1064508168 /nfs/dbraw/zinc/50/81/68/1064508168.db2.gz HHLQYFCEOPRXJY-QFIPXVFZSA-N 1 0 457.638 4.834 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359830383 1064513072 /nfs/dbraw/zinc/51/30/72/1064513072.db2.gz IDZFXJKGBLFPLW-IRXDYDNUSA-N 1 0 470.609 4.676 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359831744 1064514983 /nfs/dbraw/zinc/51/49/83/1064514983.db2.gz BBUKFELSLXCGJC-XPWALMASSA-N 1 0 488.765 4.612 20 0 JJADRO CC1(C)C[N@@H+](C2(CNC(=O)c3ccc(-c4cccc(Cl)c4)[nH]c3=O)CCCCC2)CCO1 ZINC001435105742 1064515857 /nfs/dbraw/zinc/51/58/57/1064515857.db2.gz YVKFDYMYYRMRHT-UHFFFAOYSA-N 1 0 458.002 4.651 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359832394 1064515910 /nfs/dbraw/zinc/51/59/10/1064515910.db2.gz JDQCBXGLEBRFGM-HXUWFJFHSA-N 1 0 473.735 4.622 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359834323 1064520285 /nfs/dbraw/zinc/52/02/85/1064520285.db2.gz APTJHMRKUJPXTF-ZCNNSNEGSA-N 1 0 473.628 4.781 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001359835385 1064522277 /nfs/dbraw/zinc/52/22/77/1064522277.db2.gz WDQWGSMIHLFYNT-ZEQRLZLVSA-N 1 0 496.700 4.807 20 0 JJADRO CC(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001359841339 1064528257 /nfs/dbraw/zinc/52/82/57/1064528257.db2.gz LAQTYZSSOWKAGH-UHFFFAOYSA-N 1 0 480.701 4.964 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC001435127252 1064533030 /nfs/dbraw/zinc/53/30/30/1064533030.db2.gz POXRJXNFRSMILB-QGZVFWFLSA-N 1 0 450.501 4.561 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001359847262 1064533545 /nfs/dbraw/zinc/53/35/45/1064533545.db2.gz KUDKVVMQJRMVOA-UHFFFAOYSA-N 1 0 453.590 4.919 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001359851033 1064537888 /nfs/dbraw/zinc/53/78/88/1064537888.db2.gz DTICSOXIURFAHV-UHFFFAOYSA-N 1 0 458.046 4.987 20 0 JJADRO O=C(c1cnc(-c2ccccn2)nc1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001359851653 1064538917 /nfs/dbraw/zinc/53/89/17/1064538917.db2.gz ODDMPVBHBVGGKS-UHFFFAOYSA-N 1 0 456.377 4.584 20 0 JJADRO CCc1ccc(-n2nc(C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)c3c2CCC3)cc1 ZINC001359852308 1064539464 /nfs/dbraw/zinc/53/94/64/1064539464.db2.gz YFFIVGHYINZOTF-UHFFFAOYSA-N 1 0 451.014 4.781 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001359852683 1064540051 /nfs/dbraw/zinc/54/00/51/1064540051.db2.gz RYVVIMFSBGTXJA-NRFANRHFSA-N 1 0 456.654 4.595 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359852638 1064540247 /nfs/dbraw/zinc/54/02/47/1064540247.db2.gz RIESGQXYDGIZAY-NRFANRHFSA-N 1 0 456.654 4.595 20 0 JJADRO CN1C(=O)C[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@H]1c1cccc(Cl)c1 ZINC001435140940 1064541475 /nfs/dbraw/zinc/54/14/75/1064541475.db2.gz YJDWEGMBWYWBGC-UKILVPOCSA-N 1 0 454.014 4.552 20 0 JJADRO CC1CC(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)(c2cccc(Cl)c2)C1 ZINC001435144240 1064544644 /nfs/dbraw/zinc/54/46/44/1064544644.db2.gz GXINNEHVXKAJQS-UHFFFAOYSA-N 1 0 455.002 4.862 20 0 JJADRO CC(C)(C)CNC(=O)c1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC001359858021 1064545226 /nfs/dbraw/zinc/54/52/26/1064545226.db2.gz HAJRRNZUCILEHV-UHFFFAOYSA-N 1 0 456.030 4.854 20 0 JJADRO CSc1cccc(N(C(=O)Cc2cc(Br)ccc2F)C2CC[NH+](C)CC2)c1 ZINC001435148214 1064548115 /nfs/dbraw/zinc/54/81/15/1064548115.db2.gz JLCFCCDEUZCIKE-UHFFFAOYSA-N 1 0 451.405 4.980 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccccc1Br ZINC001359860486 1064549737 /nfs/dbraw/zinc/54/97/37/1064549737.db2.gz RRXYWDUNGHTIRT-UHFFFAOYSA-N 1 0 462.480 4.846 20 0 JJADRO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359861491 1064552353 /nfs/dbraw/zinc/55/23/53/1064552353.db2.gz XLGPXFAURIOUEY-QHCPKHFHSA-N 1 0 473.109 4.573 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001359864889 1064553959 /nfs/dbraw/zinc/55/39/59/1064553959.db2.gz TVPRLJAVCWDUIS-XMMPIXPASA-N 1 0 453.675 4.762 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001359864176 1064554121 /nfs/dbraw/zinc/55/41/21/1064554121.db2.gz HOLMCBBRGOSAGZ-QHCPKHFHSA-N 1 0 482.673 4.741 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359865403 1064555314 /nfs/dbraw/zinc/55/53/14/1064555314.db2.gz DVCPXCWODCSKDR-YADHBBJMSA-N 1 0 492.506 4.793 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CCC[NH+]1CCCCC1 ZINC001359865146 1064555459 /nfs/dbraw/zinc/55/54/59/1064555459.db2.gz BYRLGRHIBBLBCU-QFIPXVFZSA-N 1 0 477.600 4.532 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359866773 1064558733 /nfs/dbraw/zinc/55/87/33/1064558733.db2.gz ZBUSPPHLRDVITF-IFMALSPDSA-N 1 0 491.558 4.969 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359866775 1064558785 /nfs/dbraw/zinc/55/87/85/1064558785.db2.gz ZBUSPPHLRDVITF-RBBKRZOGSA-N 1 0 491.558 4.969 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CCC[NH+]1CCCCC1 ZINC001359868348 1064560232 /nfs/dbraw/zinc/56/02/32/1064560232.db2.gz JXZJJTKFZOZHEB-JOCHJYFZSA-N 1 0 464.029 4.723 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359869193 1064561620 /nfs/dbraw/zinc/56/16/20/1064561620.db2.gz UFYXMNDQZAURHE-XUZZJYLKSA-N 1 0 451.615 4.558 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)CC1 ZINC001435176427 1064569350 /nfs/dbraw/zinc/56/93/50/1064569350.db2.gz TYDFUQCDNPYYMO-GBXCKJPGSA-N 1 0 451.611 4.669 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(Br)cc2Br)c1 ZINC001435180135 1064572054 /nfs/dbraw/zinc/57/20/54/1064572054.db2.gz RYPMVUDWVAPRES-UHFFFAOYSA-N 1 0 456.178 4.794 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001359881808 1064576204 /nfs/dbraw/zinc/57/62/04/1064576204.db2.gz SKPLLBJJIDXYFX-QHAWAJNXSA-N 1 0 457.638 4.844 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359885518 1064580268 /nfs/dbraw/zinc/58/02/68/1064580268.db2.gz BXVNRXIKWFSSRX-JTHBVZDNSA-N 1 0 457.638 4.989 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001359886597 1064582357 /nfs/dbraw/zinc/58/23/57/1064582357.db2.gz NUMKUAUNBWYGNN-NRFANRHFSA-N 1 0 490.092 4.618 20 0 JJADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001435195243 1064583666 /nfs/dbraw/zinc/58/36/66/1064583666.db2.gz OPZCFFKTHDUQSE-HSZRJFAPSA-N 1 0 451.014 4.774 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001435196273 1064584880 /nfs/dbraw/zinc/58/48/80/1064584880.db2.gz RCUHJJMIBNDTQQ-MOPGFXCFSA-N 1 0 457.537 4.604 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001359890501 1064590239 /nfs/dbraw/zinc/59/02/39/1064590239.db2.gz KURYSTRDDDRAAH-NDEPHWFRSA-N 1 0 478.685 4.572 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)COc2ccccc2OCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001435204609 1064590525 /nfs/dbraw/zinc/59/05/25/1064590525.db2.gz RLXFHCGCAFNEJJ-UYAOXDASSA-N 1 0 450.501 4.518 20 0 JJADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001435205753 1064591361 /nfs/dbraw/zinc/59/13/61/1064591361.db2.gz HSSZSHSGQCSOFK-MRXNPFEDSA-N 1 0 454.459 4.654 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359894753 1064596144 /nfs/dbraw/zinc/59/61/44/1064596144.db2.gz QUVNUZKJWGJSHB-SANMLTNESA-N 1 0 452.647 4.534 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359894752 1064596172 /nfs/dbraw/zinc/59/61/72/1064596172.db2.gz QUVNUZKJWGJSHB-AREMUKBSSA-N 1 0 452.647 4.534 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001359895024 1064596886 /nfs/dbraw/zinc/59/68/86/1064596886.db2.gz WBCHVDDNTGDARA-OARDWFSCSA-N 1 0 483.701 4.808 20 0 JJADRO CC(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001359903032 1064617264 /nfs/dbraw/zinc/61/72/64/1064617264.db2.gz YMDCVRPYLFOMCN-LEWJYISDSA-N 1 0 476.065 4.666 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)cc1 ZINC001359906167 1064620994 /nfs/dbraw/zinc/62/09/94/1064620994.db2.gz NZGMJFUHJLFQJA-LCYFTJDESA-N 1 0 450.579 4.730 20 0 JJADRO Cc1c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cnn1-c1ccccc1Cl ZINC001359907179 1064623037 /nfs/dbraw/zinc/62/30/37/1064623037.db2.gz YJRJSIMGSLHQCF-UHFFFAOYSA-N 1 0 455.965 4.756 20 0 JJADRO CC(C)CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001359911889 1064629158 /nfs/dbraw/zinc/62/91/58/1064629158.db2.gz YPMSSOPDCWYFHM-UHFFFAOYSA-N 1 0 475.081 4.608 20 0 JJADRO C[NH+](C)CCCN(C(=O)c1ccc([C@@H]2CCC(=O)N2)cc1)C(c1ccccc1)c1ccccc1 ZINC001359913891 1064632991 /nfs/dbraw/zinc/63/29/91/1064632991.db2.gz OWPTVCUWDHEPRB-SANMLTNESA-N 1 0 455.602 4.821 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359914978 1064635774 /nfs/dbraw/zinc/63/57/74/1064635774.db2.gz SHGDALIYHLPGPY-OALUTQOASA-N 1 0 478.479 4.689 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC001435261633 1064637532 /nfs/dbraw/zinc/63/75/32/1064637532.db2.gz PLWYUOXGIZPQML-WTHKRRKVSA-N 1 0 459.700 4.893 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001435262173 1064638339 /nfs/dbraw/zinc/63/83/39/1064638339.db2.gz SPLBVIGRMKJFLX-UUOWRZLLSA-N 1 0 457.043 4.946 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359917602 1064639456 /nfs/dbraw/zinc/63/94/56/1064639456.db2.gz IMAYWHYABUODDT-LJQANCHMSA-N 1 0 466.630 4.618 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359917601 1064639501 /nfs/dbraw/zinc/63/95/01/1064639501.db2.gz IMAYWHYABUODDT-IBGZPJMESA-N 1 0 466.630 4.618 20 0 JJADRO CC(C)CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359920776 1064644991 /nfs/dbraw/zinc/64/49/91/1064644991.db2.gz IZBJHZLKKOMRBW-RTBURBONSA-N 1 0 463.617 4.517 20 0 JJADRO CC(C)CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001359921237 1064646953 /nfs/dbraw/zinc/64/69/53/1064646953.db2.gz AQFMSDPZCMWRFV-UHFFFAOYSA-N 1 0 478.479 4.976 20 0 JJADRO CC(C)CCN(c1nnc(-c2ccc(Br)s2)n1CC[NH+]1CCSCC1)C1CC1 ZINC001359923600 1064652980 /nfs/dbraw/zinc/65/29/80/1064652980.db2.gz PEJQZAYOTPLLFH-UHFFFAOYSA-N 1 0 484.533 4.833 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001545890049 1064668292 /nfs/dbraw/zinc/66/82/92/1064668292.db2.gz ORYFMTBGWOARSK-NRFANRHFSA-N 1 0 498.691 4.971 20 0 JJADRO CC(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001359933407 1064673604 /nfs/dbraw/zinc/67/36/04/1064673604.db2.gz RRMKFNRPVBCHPP-PMACEKPBSA-N 1 0 476.065 4.807 20 0 JJADRO CC(C)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001359944380 1064690743 /nfs/dbraw/zinc/69/07/43/1064690743.db2.gz RXGUJKWLWVTNTJ-UHFFFAOYSA-N 1 0 476.463 4.730 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCN(c3cc(F)ccc3F)CC2)CC1 ZINC001359947243 1064695794 /nfs/dbraw/zinc/69/57/94/1064695794.db2.gz FAKRAGVYSNRFLT-UHFFFAOYSA-N 1 0 474.644 4.764 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(Br)c3)nnc2N2CCCOCC2)CC1 ZINC001359947719 1064697279 /nfs/dbraw/zinc/69/72/79/1064697279.db2.gz NQYXDMMEPVPWQJ-UHFFFAOYSA-N 1 0 490.490 4.692 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC3CC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001359947771 1064697807 /nfs/dbraw/zinc/69/78/07/1064697807.db2.gz COXIBVVYOHSDGC-DEOSSOPVSA-N 1 0 485.639 4.518 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001359947765 1064697913 /nfs/dbraw/zinc/69/79/13/1064697913.db2.gz PCJYIOFAAXVDTK-QHCPKHFHSA-N 1 0 481.689 4.556 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001359948368 1064700250 /nfs/dbraw/zinc/70/02/50/1064700250.db2.gz MIIZGYHPJAPBRP-XXBNENTESA-N 1 0 461.601 4.549 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccco3)C2)CC1 ZINC001359948980 1064701548 /nfs/dbraw/zinc/70/15/48/1064701548.db2.gz UYBAEIQGZWYMBF-HSZRJFAPSA-N 1 0 457.663 4.796 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001359950026 1064703202 /nfs/dbraw/zinc/70/32/02/1064703202.db2.gz CMDGWGGMYMCHAH-SZPZYZBQSA-N 1 0 469.674 4.573 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001359950685 1064706701 /nfs/dbraw/zinc/70/67/01/1064706701.db2.gz MQRVPKNJLFYFTB-LEWJYISDSA-N 1 0 469.674 4.856 20 0 JJADRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC001435337010 1064708241 /nfs/dbraw/zinc/70/82/41/1064708241.db2.gz CAHHMKLEZNABIP-AOMKIAJQSA-N 1 0 452.396 4.946 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)s2)c(F)c1 ZINC001435339264 1064709506 /nfs/dbraw/zinc/70/95/06/1064709506.db2.gz MFCSUICILNUBFV-AOMKIAJQSA-N 1 0 453.583 4.907 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC(CO)CC3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001359952651 1064716252 /nfs/dbraw/zinc/71/62/52/1064716252.db2.gz ZCKVUAFHYHARFS-UHFFFAOYSA-N 1 0 483.701 4.843 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2=CCCOC2)cc1 ZINC001359952654 1064716295 /nfs/dbraw/zinc/71/62/95/1064716295.db2.gz ZHWZLNYYFVVJIU-UHFFFAOYSA-N 1 0 467.658 4.637 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2CC=CCO2)cc1 ZINC001359952653 1064716407 /nfs/dbraw/zinc/71/64/07/1064716407.db2.gz ZHFGIPQBDZHAMJ-VWLOTQADSA-N 1 0 467.658 4.636 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001359954034 1064717658 /nfs/dbraw/zinc/71/76/58/1064717658.db2.gz CHEKRGLBEAITOR-QFIPXVFZSA-N 1 0 468.671 4.736 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001359954265 1064719634 /nfs/dbraw/zinc/71/96/34/1064719634.db2.gz DHSOAWPGPMRDSD-QFIPXVFZSA-N 1 0 469.674 4.717 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001359954385 1064720058 /nfs/dbraw/zinc/72/00/58/1064720058.db2.gz IUDGDAXTMKHPJP-HXUWFJFHSA-N 1 0 475.081 4.757 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001359955054 1064722632 /nfs/dbraw/zinc/72/26/32/1064722632.db2.gz PRUVHRVUVJFEAQ-DENIHFKCSA-N 1 0 495.590 4.622 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)CC1 ZINC001359955070 1064722675 /nfs/dbraw/zinc/72/26/75/1064722675.db2.gz UXPOTAAIXRZDOL-UHFFFAOYSA-N 1 0 490.490 4.835 20 0 JJADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001435360551 1064723648 /nfs/dbraw/zinc/72/36/48/1064723648.db2.gz MDSDWRBBTFTUBK-JOCHJYFZSA-N 1 0 451.558 4.614 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCCOC2)cc1 ZINC001359955281 1064724416 /nfs/dbraw/zinc/72/44/16/1064724416.db2.gz SOXKLPWWPHKXOS-QFIPXVFZSA-N 1 0 469.674 4.717 20 0 JJADRO CC(C)CCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359963891 1064736791 /nfs/dbraw/zinc/73/67/91/1064736791.db2.gz FAWGMGGGTGPIMW-FQEVSTJZSA-N 1 0 461.626 4.540 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359970731 1064746646 /nfs/dbraw/zinc/74/66/46/1064746646.db2.gz BTAJRLZUTCBWRO-ROUUACIJSA-N 1 0 465.484 4.506 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359970992 1064747694 /nfs/dbraw/zinc/74/76/94/1064747694.db2.gz KOQKDVOOXIKUBY-HXUWFJFHSA-N 1 0 465.484 4.649 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1C ZINC001359972069 1064748617 /nfs/dbraw/zinc/74/86/17/1064748617.db2.gz HYDFBVSQRIPHMK-UHFFFAOYSA-N 1 0 453.480 4.602 20 0 JJADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001435422621 1064749716 /nfs/dbraw/zinc/74/97/16/1064749716.db2.gz NVRAERKGMUKKHD-UHFFFAOYSA-N 1 0 454.379 4.826 20 0 JJADRO Cc1ccc2nc(COc3ccccc3C(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)cn2c1 ZINC001435426174 1064751124 /nfs/dbraw/zinc/75/11/24/1064751124.db2.gz YVDHLIZSNSHBSH-JOCHJYFZSA-N 1 0 456.590 4.862 20 0 JJADRO CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001359982391 1064757494 /nfs/dbraw/zinc/75/74/94/1064757494.db2.gz BSIGTCMOPSSHSD-TUACAJSNSA-N 1 0 453.675 4.736 20 0 JJADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCCCC2)C1 ZINC001435450210 1064764224 /nfs/dbraw/zinc/76/42/24/1064764224.db2.gz CLLIECLWMGVVRS-OAQYLSRUSA-N 1 0 451.449 4.610 20 0 JJADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C1 ZINC001435452864 1064765188 /nfs/dbraw/zinc/76/51/88/1064765188.db2.gz SWUQSWQGBDZSQJ-GOSISDBHSA-N 1 0 456.530 4.887 20 0 JJADRO CC(C)CN(c1nnc(-c2cc(Br)c[nH]2)n1CC1CC[NH+](C2CC2)CC1)C(C)C ZINC001359985949 1064765412 /nfs/dbraw/zinc/76/54/12/1064765412.db2.gz SIDFJYBBDQKNHV-UHFFFAOYSA-N 1 0 463.468 4.781 20 0 JJADRO CC(C)CN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C)C1CCCC1 ZINC001359987733 1064768708 /nfs/dbraw/zinc/76/87/08/1064768708.db2.gz VPJRGJMYUVYRLV-HSZRJFAPSA-N 1 0 453.610 4.526 20 0 JJADRO CC(C)CN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1)C(C)C ZINC001359989543 1064770930 /nfs/dbraw/zinc/77/09/30/1064770930.db2.gz OBQMXZQYERIGSJ-LOSJGSFVSA-N 1 0 453.675 4.608 20 0 JJADRO CC(C)CN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001359993301 1064776654 /nfs/dbraw/zinc/77/66/54/1064776654.db2.gz QHUSFQPNLQJFKO-OYRHEFFESA-N 1 0 475.653 4.755 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c2c(nn1C)CCCC2)[NH+](C)C ZINC001435470753 1064776949 /nfs/dbraw/zinc/77/69/49/1064776949.db2.gz HSMQBBRRVHDWBR-OAQYLSRUSA-N 1 0 451.442 4.834 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2 ZINC001435471791 1064777572 /nfs/dbraw/zinc/77/75/72/1064777572.db2.gz KTZGDCGQKZDMPR-UHFFFAOYSA-N 1 0 454.615 4.936 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1 ZINC001545891221 1064779709 /nfs/dbraw/zinc/77/97/09/1064779709.db2.gz VDCYHEKULPDMEJ-OAQYLSRUSA-N 1 0 456.011 4.963 20 0 JJADRO CC(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001360001559 1064787558 /nfs/dbraw/zinc/78/75/58/1064787558.db2.gz UPXDFVWGLUVFHV-UHFFFAOYSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360006073 1064792878 /nfs/dbraw/zinc/79/28/78/1064792878.db2.gz JYCNOQYFCNOQDW-TZRRMPRUSA-N 1 0 496.700 4.806 20 0 JJADRO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360006074 1064793041 /nfs/dbraw/zinc/79/30/41/1064793041.db2.gz JYCNOQYFCNOQDW-VXNXHJTFSA-N 1 0 496.700 4.806 20 0 JJADRO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360006939 1064793901 /nfs/dbraw/zinc/79/39/01/1064793901.db2.gz YUZNDDHUEKWRBD-GSPCLOLRSA-N 1 0 488.721 4.796 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cc(F)c3ncccc3c2)cc1Cl ZINC001435509529 1064796027 /nfs/dbraw/zinc/79/60/27/1064796027.db2.gz HLEJEBXGQPENNH-UHFFFAOYSA-N 1 0 456.949 4.741 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)C1 ZINC001360008213 1064796695 /nfs/dbraw/zinc/79/66/95/1064796695.db2.gz NCVYEAJIQVGUMM-MSOLQXFVSA-N 1 0 471.543 4.924 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N(C)CC2CC2)C1 ZINC001360008280 1064797627 /nfs/dbraw/zinc/79/76/27/1064797627.db2.gz OLNGJKNLPZKTQA-LJQANCHMSA-N 1 0 460.464 4.922 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(F)(F)CC2)C1 ZINC001360008803 1064798219 /nfs/dbraw/zinc/79/82/19/1064798219.db2.gz YERIRNLXJJLQAX-KRWDZBQOSA-N 1 0 499.448 4.650 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)C1 ZINC001360008502 1064798382 /nfs/dbraw/zinc/79/83/82/1064798382.db2.gz SBXZUQPNKTZNET-SFHVURJKSA-N 1 0 466.457 4.847 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)CC2CC2)C1 ZINC001360009518 1064798792 /nfs/dbraw/zinc/79/87/92/1064798792.db2.gz BOJYWLDUQARWQZ-IBGZPJMESA-N 1 0 460.464 4.922 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(F)(F)CC2)C1 ZINC001360008804 1064799093 /nfs/dbraw/zinc/79/90/93/1064799093.db2.gz YERIRNLXJJLQAX-QGZVFWFLSA-N 1 0 499.448 4.650 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@@H](C)C2)C1 ZINC001360009900 1064799974 /nfs/dbraw/zinc/79/99/74/1064799974.db2.gz HIKCWYDPEACOMG-PMACEKPBSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(Br)o2)C1 ZINC001360010237 1064801506 /nfs/dbraw/zinc/80/15/06/1064801506.db2.gz MYNJWVYBFNAFGN-SFHVURJKSA-N 1 0 487.446 4.700 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001360010721 1064803417 /nfs/dbraw/zinc/80/34/17/1064803417.db2.gz VEORLLFLGHJQPW-FGZHOGPDSA-N 1 0 491.627 4.778 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360010935 1064805444 /nfs/dbraw/zinc/80/54/44/1064805444.db2.gz YNAARUWKYLGYIG-UYAOXDASSA-N 1 0 457.585 4.666 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)C1 ZINC001360011817 1064807218 /nfs/dbraw/zinc/80/72/18/1064807218.db2.gz IVIZOHDULAIXKS-XXBNENTESA-N 1 0 475.628 4.800 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](C)CC2)C1 ZINC001360011906 1064807347 /nfs/dbraw/zinc/80/73/47/1064807347.db2.gz KBXCGNABLNBIIB-DNQXCXABSA-N 1 0 453.675 4.894 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3C[C@H](C)O[C@@H](c4ccsc4)C3)nnc2C(C)(C)C)C1 ZINC001360012398 1064809313 /nfs/dbraw/zinc/80/93/13/1064809313.db2.gz REGGGRUBJVWYCP-JAXLGGSGSA-N 1 0 459.704 4.972 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3C[C@@H](C)O[C@@H](c4ccsc4)C3)nnc2C(C)(C)C)C1 ZINC001360012400 1064810393 /nfs/dbraw/zinc/81/03/93/1064810393.db2.gz REGGGRUBJVWYCP-RZUBCFFCSA-N 1 0 459.704 4.972 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(F)(F)CC2)C1 ZINC001360012806 1064811337 /nfs/dbraw/zinc/81/13/37/1064811337.db2.gz WOBFNFVXGBQGPG-PWRODBHTSA-N 1 0 467.649 4.800 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360014478 1064813146 /nfs/dbraw/zinc/81/31/46/1064813146.db2.gz GISVTNYORKUABW-ZJOUEHCJSA-N 1 0 464.029 4.988 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001360017198 1064816992 /nfs/dbraw/zinc/81/69/92/1064816992.db2.gz BJLFWWPWTMKPML-UHFFFAOYSA-N 1 0 484.979 4.900 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC2(C)CC2)CC1 ZINC001360017370 1064817824 /nfs/dbraw/zinc/81/78/24/1064817824.db2.gz DZQSUUHBIAOGGC-UHFFFAOYSA-N 1 0 452.466 4.737 20 0 JJADRO CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1=O ZINC001360018576 1064820228 /nfs/dbraw/zinc/82/02/28/1064820228.db2.gz SHDQPVJETBRUQX-UHFFFAOYSA-N 1 0 494.728 4.669 20 0 JJADRO CC(C)CN1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1=O ZINC001360021821 1064825916 /nfs/dbraw/zinc/82/59/16/1064825916.db2.gz SQSZADLPFWAEPY-YPAWHYETSA-N 1 0 498.691 4.534 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c1C(C)C ZINC001360027036 1064828451 /nfs/dbraw/zinc/82/84/51/1064828451.db2.gz LSPYLEQBHDXXCW-UHFFFAOYSA-N 1 0 452.643 4.848 20 0 JJADRO CC[C@@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1ccc(Br)cc1 ZINC001360027555 1064829324 /nfs/dbraw/zinc/82/93/24/1064829324.db2.gz VSDKNTVRMZYFAF-HXUWFJFHSA-N 1 0 451.449 4.873 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001360027525 1064829460 /nfs/dbraw/zinc/82/94/60/1064829460.db2.gz NVNVDCQGSRAESK-UHFFFAOYSA-N 1 0 455.544 4.851 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CC3CCCC3)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001360029303 1064831120 /nfs/dbraw/zinc/83/11/20/1064831120.db2.gz NNQFVYVQJZRDAL-UHFFFAOYSA-N 1 0 465.564 4.578 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360030849 1064832684 /nfs/dbraw/zinc/83/26/84/1064832684.db2.gz QHJOIGBINPHJLA-UHFFFAOYSA-N 1 0 471.665 4.770 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 ZINC001360033943 1064837129 /nfs/dbraw/zinc/83/71/29/1064837129.db2.gz ANJJRHFJIYALFZ-HFMPRLQTSA-N 1 0 487.664 4.786 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCC=CO2)CC1 ZINC001360033759 1064837281 /nfs/dbraw/zinc/83/72/81/1064837281.db2.gz JMCYWRPMIZKJKC-LJQANCHMSA-N 1 0 480.440 4.635 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccsc2)C1 ZINC001360034162 1064838093 /nfs/dbraw/zinc/83/80/93/1064838093.db2.gz BUQRXCNJBQQAHW-FPOVZHCZSA-N 1 0 487.645 4.612 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2ccc(Cl)s2)CC1 ZINC001360034607 1064839152 /nfs/dbraw/zinc/83/91/52/1064839152.db2.gz WDTMMNUIKOQQMF-UHFFFAOYSA-N 1 0 478.037 4.732 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCCS2)CC1 ZINC001360034901 1064839321 /nfs/dbraw/zinc/83/93/21/1064839321.db2.gz YPXOIHGWCYZBBK-SFHVURJKSA-N 1 0 484.497 4.838 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360034695 1064839394 /nfs/dbraw/zinc/83/93/94/1064839394.db2.gz GXNDIZGTPWNKKF-DENIHFKCSA-N 1 0 460.066 4.828 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@H](C)C2)C1 ZINC001360035144 1064839784 /nfs/dbraw/zinc/83/97/84/1064839784.db2.gz KKWHFNDUTANDAS-KSZLIROESA-N 1 0 496.519 4.608 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)cc1Br ZINC001360035679 1064841036 /nfs/dbraw/zinc/84/10/36/1064841036.db2.gz SYBRYJBNRRTTIT-UHFFFAOYSA-N 1 0 458.169 4.555 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](C)C2)C1 ZINC001360035922 1064842440 /nfs/dbraw/zinc/84/24/40/1064842440.db2.gz RCHOPLMKVMLFHX-IEBWSBKVSA-N 1 0 466.457 4.845 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001360036046 1064843195 /nfs/dbraw/zinc/84/31/95/1064843195.db2.gz RSRVTENZPWXMIE-NJYVYQBISA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(C)C)C2)C1 ZINC001360036264 1064844437 /nfs/dbraw/zinc/84/44/37/1064844437.db2.gz WXYMJDYHQPZEST-ZRBLBEILSA-N 1 0 487.664 4.786 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)C1 ZINC001360036358 1064844549 /nfs/dbraw/zinc/84/45/49/1064844549.db2.gz YMRZRUPTBWGCLW-PMOQBDJRSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)C2CCCCC2)C1 ZINC001360036410 1064845170 /nfs/dbraw/zinc/84/51/70/1064845170.db2.gz ZNGCKIGBADYLLH-UNMCSNQZSA-N 1 0 457.638 4.846 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360038691 1064850720 /nfs/dbraw/zinc/85/07/20/1064850720.db2.gz GXRBSPDLHREGDG-SFHVURJKSA-N 1 0 496.519 4.753 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C(C)(C)c2ccc(F)cc2F)ccc1Cl ZINC001435591637 1064857510 /nfs/dbraw/zinc/85/75/10/1064857510.db2.gz GXUJCLCCAMFVMD-UHFFFAOYSA-N 1 0 451.945 4.606 20 0 JJADRO CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)c2)CC1 ZINC001435598740 1064863443 /nfs/dbraw/zinc/86/34/43/1064863443.db2.gz ASVQEMKLBKBCTC-NOZRDPDXSA-N 1 0 454.014 4.773 20 0 JJADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC001435604338 1064868121 /nfs/dbraw/zinc/86/81/21/1064868121.db2.gz GTNRHAWLQRFKNA-MAUKXSAKSA-N 1 0 456.015 4.543 20 0 JJADRO CC(C)COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC001360050311 1064874371 /nfs/dbraw/zinc/87/43/71/1064874371.db2.gz ONASDKAIJHVDCC-RUZDIDTESA-N 1 0 496.744 4.555 20 0 JJADRO CCC(CC)(C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001435613943 1064876793 /nfs/dbraw/zinc/87/67/93/1064876793.db2.gz OLJOVMUOLHWJKB-OAQYLSRUSA-N 1 0 454.615 4.725 20 0 JJADRO Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001435614047 1064877600 /nfs/dbraw/zinc/87/76/00/1064877600.db2.gz RCIMQFNLEAYYQZ-LADGPHEKSA-N 1 0 452.002 4.533 20 0 JJADRO CC(C)COc1cccc(Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001360051324 1064877985 /nfs/dbraw/zinc/87/79/85/1064877985.db2.gz AVYZHONSRLGXKE-JOCHJYFZSA-N 1 0 453.675 4.870 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC001360055407 1064885047 /nfs/dbraw/zinc/88/50/47/1064885047.db2.gz SRRLBHGISIGKRB-KCZVDYSFSA-N 1 0 459.704 4.972 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360056412 1064887131 /nfs/dbraw/zinc/88/71/31/1064887131.db2.gz CJIMLRJWNLOXAF-FCHUYYIVSA-N 1 0 487.664 4.931 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001360056630 1064888522 /nfs/dbraw/zinc/88/85/22/1064888522.db2.gz DQCQSJBMVOZAIJ-QFIPXVFZSA-N 1 0 487.023 4.516 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc4cccnc43)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001360058596 1064895260 /nfs/dbraw/zinc/89/52/60/1064895260.db2.gz TVPPSGUSSBJUIY-QHCPKHFHSA-N 1 0 464.658 4.863 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001360060966 1064900403 /nfs/dbraw/zinc/90/04/03/1064900403.db2.gz RHNBBSBPFHLFDX-GMAHTHKFSA-N 1 0 462.642 4.721 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC001360061701 1064901179 /nfs/dbraw/zinc/90/11/79/1064901179.db2.gz AKNBZHNQBWQLBB-LGVFNWMJSA-N 1 0 459.704 4.873 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001360061978 1064901722 /nfs/dbraw/zinc/90/17/22/1064901722.db2.gz FCMKDBSRYZMNLU-JWQCQUIFSA-N 1 0 467.702 4.683 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001360066255 1064908950 /nfs/dbraw/zinc/90/89/50/1064908950.db2.gz LXYMCPKJFGFAMK-WOJBJXKFSA-N 1 0 459.685 4.546 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001360066261 1064909494 /nfs/dbraw/zinc/90/94/94/1064909494.db2.gz LZVZTNUBJIECAO-ZYQDXHPFSA-N 1 0 489.749 4.960 20 0 JJADRO C[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001435658312 1064913516 /nfs/dbraw/zinc/91/35/16/1064913516.db2.gz YIXGNIGPSDOEQV-WCCBULMPSA-N 1 0 457.412 4.633 20 0 JJADRO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001435658470 1064913626 /nfs/dbraw/zinc/91/36/26/1064913626.db2.gz ZKQDYOKZIWFACQ-KMGZYFLFSA-N 1 0 457.412 4.633 20 0 JJADRO CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC001435661948 1064916426 /nfs/dbraw/zinc/91/64/26/1064916426.db2.gz KTZGYDXPDZCUAH-REKPFMLQSA-N 1 0 450.579 4.665 20 0 JJADRO CC(C)CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360076030 1064922957 /nfs/dbraw/zinc/92/29/57/1064922957.db2.gz CCTCPILSMDEEBL-UHFFFAOYSA-N 1 0 497.551 4.746 20 0 JJADRO CC(C)CSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001360080097 1064936687 /nfs/dbraw/zinc/93/66/87/1064936687.db2.gz AFMHOPFGMCGKRS-UXHICEINSA-N 1 0 461.651 4.621 20 0 JJADRO CC(C)CSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360083005 1064944228 /nfs/dbraw/zinc/94/42/28/1064944228.db2.gz SYDORVMSSJETES-VXKWHMMOSA-N 1 0 458.720 4.764 20 0 JJADRO C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435699446 1064945645 /nfs/dbraw/zinc/94/56/45/1064945645.db2.gz BJEHUPKIEBBXMT-ZTCOLXNVSA-N 1 0 457.659 4.877 20 0 JJADRO C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435705795 1064948495 /nfs/dbraw/zinc/94/84/95/1064948495.db2.gz QVCBXQQJLCUQBK-NKKJXINNSA-N 1 0 451.611 4.669 20 0 JJADRO CC(C)CSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360086011 1064948980 /nfs/dbraw/zinc/94/89/80/1064948980.db2.gz OAKWPKAWRVUXHP-JRFVFWCSSA-N 1 0 471.715 4.661 20 0 JJADRO COc1ccc(Br)cc1C1(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001435707782 1064949772 /nfs/dbraw/zinc/94/97/72/1064949772.db2.gz WFAQKACLBDGYTO-HKUYNNGSSA-N 1 0 457.412 4.516 20 0 JJADRO COc1ccc(/C=C(/C)C(=O)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cc1F ZINC001435723442 1064955783 /nfs/dbraw/zinc/95/57/83/1064955783.db2.gz IOUCRTYMMZGPJF-BLNHJESLSA-N 1 0 454.586 4.563 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2Br)CC1 ZINC001360092418 1064961366 /nfs/dbraw/zinc/96/13/66/1064961366.db2.gz FHJSRNFSNGCLTD-UHFFFAOYSA-N 1 0 462.480 4.943 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001360092500 1064961431 /nfs/dbraw/zinc/96/14/31/1064961431.db2.gz HTLWHCGSNXPPAJ-JOCHJYFZSA-N 1 0 494.728 4.813 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001360092568 1064962261 /nfs/dbraw/zinc/96/22/61/1064962261.db2.gz KEOUQEWQEMIPDZ-UHFFFAOYSA-N 1 0 491.080 4.680 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(N2CCOC[C@H](C3CCC3)C2)nnc1C(C)(C)C ZINC001360092580 1064962345 /nfs/dbraw/zinc/96/23/45/1064962345.db2.gz KQNLCRHYCMUPCU-XMMPIXPASA-N 1 0 453.675 4.717 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccsc1 ZINC001360092837 1064963933 /nfs/dbraw/zinc/96/39/33/1064963933.db2.gz UWCDOBBWVUTSPD-UHFFFAOYSA-N 1 0 460.651 4.850 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccs1 ZINC001360092886 1064964662 /nfs/dbraw/zinc/96/46/62/1064964662.db2.gz WFCOMLHNXPGXMX-QFIPXVFZSA-N 1 0 453.656 4.759 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001360092933 1064964714 /nfs/dbraw/zinc/96/47/14/1064964714.db2.gz XUYWPJANRHUZNK-AUSIDOKSSA-N 1 0 486.586 4.787 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360092924 1064964789 /nfs/dbraw/zinc/96/47/89/1064964789.db2.gz XQGRDLSIMVLXHR-DEOSSOPVSA-N 1 0 467.683 4.824 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3Br)n2CCc2ccncc2)CC1 ZINC001360094577 1064966181 /nfs/dbraw/zinc/96/61/81/1064966181.db2.gz FEQIITDLSVOTAP-UHFFFAOYSA-N 1 0 497.485 4.902 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CCCSc2ccccc2)CC1 ZINC001360094808 1064966575 /nfs/dbraw/zinc/96/65/75/1064966575.db2.gz MKDIFRPLYIFDIV-QFIPXVFZSA-N 1 0 457.688 4.521 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCc2cccc(F)c2)CC1 ZINC001360094890 1064967341 /nfs/dbraw/zinc/96/73/41/1064967341.db2.gz OWNAQURVRKXOPF-UHFFFAOYSA-N 1 0 450.606 4.669 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCSC2)CC1 ZINC001360095240 1064968194 /nfs/dbraw/zinc/96/81/94/1064968194.db2.gz BRQVNRKOGUOIOI-OAQYLSRUSA-N 1 0 475.678 4.696 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(F)cc2Cl)CC1 ZINC001360095161 1064968298 /nfs/dbraw/zinc/96/82/98/1064968298.db2.gz YUSYSNSJPCGTMY-UHFFFAOYSA-N 1 0 471.024 4.932 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2CC2)CC1 ZINC001360095037 1064968547 /nfs/dbraw/zinc/96/85/47/1064968547.db2.gz UTLYJOHKEGCCJR-HSZRJFAPSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CC3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001360095267 1064968599 /nfs/dbraw/zinc/96/85/99/1064968599.db2.gz CNVKKZPWCZUSOF-UHFFFAOYSA-N 1 0 479.591 4.777 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001360095306 1064969244 /nfs/dbraw/zinc/96/92/44/1064969244.db2.gz DZZWMKYZMBHIDS-UHFFFAOYSA-N 1 0 474.694 4.775 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC=CCC2)CC1 ZINC001360095417 1064969919 /nfs/dbraw/zinc/96/99/19/1064969919.db2.gz IHZLXPXNWKBHAO-OAQYLSRUSA-N 1 0 455.622 4.909 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001360095426 1064969949 /nfs/dbraw/zinc/96/99/49/1064969949.db2.gz INOJUZJTANGCCB-UHFFFAOYSA-N 1 0 498.647 4.887 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749534 1064973329 /nfs/dbraw/zinc/97/33/29/1064973329.db2.gz NSWDWOJUALHIMO-KOSHJBKYSA-N 1 0 458.002 4.878 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749539 1064973362 /nfs/dbraw/zinc/97/33/62/1064973362.db2.gz NSWDWOJUALHIMO-MHECFPHRSA-N 1 0 458.002 4.878 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360097316 1064973870 /nfs/dbraw/zinc/97/38/70/1064973870.db2.gz CQMVISLZHGOQHR-UHFFFAOYSA-N 1 0 487.983 4.836 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001360097261 1064973976 /nfs/dbraw/zinc/97/39/76/1064973976.db2.gz BEYRJTIIYNJSSP-HXUWFJFHSA-N 1 0 478.479 4.689 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360097448 1064974957 /nfs/dbraw/zinc/97/49/57/1064974957.db2.gz HYRAFCOVTMBTKY-IBGZPJMESA-N 1 0 491.080 4.680 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360097730 1064976453 /nfs/dbraw/zinc/97/64/53/1064976453.db2.gz AMXUHJFFLIRQJR-LJQANCHMSA-N 1 0 491.080 4.680 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Br)nnc1N(C)CC1CC(F)C1 ZINC001360098237 1064977090 /nfs/dbraw/zinc/97/70/90/1064977090.db2.gz LOPAQARZMCLYPO-UHFFFAOYSA-N 1 0 452.416 4.622 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001360098140 1064977409 /nfs/dbraw/zinc/97/74/09/1064977409.db2.gz HXNSKGDEDRSVRF-DEOSSOPVSA-N 1 0 483.060 4.674 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2ccsc2)CC1 ZINC001360098194 1064977424 /nfs/dbraw/zinc/97/74/24/1064977424.db2.gz KAGVFSNAVJFZCY-UHFFFAOYSA-N 1 0 473.090 4.713 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001360099853 1064979305 /nfs/dbraw/zinc/97/93/05/1064979305.db2.gz CSYABFOAEHLYHC-MSOLQXFVSA-N 1 0 468.067 4.543 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001360100855 1064979867 /nfs/dbraw/zinc/97/98/67/1064979867.db2.gz WVAZZMIIKBVFFH-SFHVURJKSA-N 1 0 471.543 4.697 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001360100451 1064980288 /nfs/dbraw/zinc/98/02/88/1064980288.db2.gz MUODJUBLXLTQJF-SFTDATJTSA-N 1 0 488.677 4.913 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001360101067 1064981068 /nfs/dbraw/zinc/98/10/68/1064981068.db2.gz DLXKIWKGTWCXEC-UHFFFAOYSA-N 1 0 499.585 4.902 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001360101740 1064981940 /nfs/dbraw/zinc/98/19/40/1064981940.db2.gz YVWUEBDOGVMIHU-GOSISDBHSA-N 1 0 480.103 4.954 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccccc1 ZINC001360103861 1064984145 /nfs/dbraw/zinc/98/41/45/1064984145.db2.gz AULZOSSJDLAJME-QGZVFWFLSA-N 1 0 459.436 4.584 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001360104200 1064984782 /nfs/dbraw/zinc/98/47/82/1064984782.db2.gz MRKKMGVKOIRNBO-OAHLLOKOSA-N 1 0 463.399 4.712 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001360104132 1064984881 /nfs/dbraw/zinc/98/48/81/1064984881.db2.gz KOWWGRQSOXWQTQ-OAQYLSRUSA-N 1 0 494.453 4.582 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360106446 1064987805 /nfs/dbraw/zinc/98/78/05/1064987805.db2.gz DALKEURCFLTFAW-HXUWFJFHSA-N 1 0 485.007 4.572 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001360106476 1064987904 /nfs/dbraw/zinc/98/79/04/1064987904.db2.gz DONPIWZPIRSERC-IBGZPJMESA-N 1 0 473.090 4.883 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001360106828 1064988992 /nfs/dbraw/zinc/98/89/92/1064988992.db2.gz SPGQFPWDUYTRPX-LJQANCHMSA-N 1 0 495.981 4.996 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001360106965 1064989076 /nfs/dbraw/zinc/98/90/76/1064989076.db2.gz XWIYURZYSLNKJE-NRFANRHFSA-N 1 0 468.671 4.617 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001360112981 1064994043 /nfs/dbraw/zinc/99/40/43/1064994043.db2.gz PHNITNNNGQTWPW-QFIPXVFZSA-N 1 0 455.622 4.589 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360112873 1064994179 /nfs/dbraw/zinc/99/41/79/1064994179.db2.gz MXQZNVRDPRYWEJ-UHFFFAOYSA-N 1 0 457.516 4.505 20 0 JJADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC001435802238 1064998923 /nfs/dbraw/zinc/99/89/23/1064998923.db2.gz NAUYCFFTDURTAV-UHFFFAOYSA-N 1 0 454.571 4.632 20 0 JJADRO CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1C(F)(F)F)C(C)C ZINC001360123737 1065015196 /nfs/dbraw/zinc/01/51/96/1065015196.db2.gz MEDGRUYMMVZGFS-UHFFFAOYSA-N 1 0 494.606 4.678 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCCC2)C1)C(C)C ZINC001360123770 1065015294 /nfs/dbraw/zinc/01/52/94/1065015294.db2.gz NELBVBHBSQUYBW-UHFFFAOYSA-N 1 0 493.494 4.694 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCSC2)C1)C(C)C ZINC001360123991 1065015766 /nfs/dbraw/zinc/01/57/66/1065015766.db2.gz SEDGNAVOTPUIEG-JOCHJYFZSA-N 1 0 495.535 4.878 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C2CCCCC2)CC1)C(C)C ZINC001360125662 1065018180 /nfs/dbraw/zinc/01/81/80/1065018180.db2.gz RPJCTMIFFYFBGV-UHFFFAOYSA-N 1 0 498.691 4.822 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H]1CCCOC1)C(C)C ZINC001360125465 1065018197 /nfs/dbraw/zinc/01/81/97/1065018197.db2.gz LBNZQHFBCMSLLO-OAQYLSRUSA-N 1 0 452.647 4.798 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)C(C)C ZINC001360125479 1065018442 /nfs/dbraw/zinc/01/84/42/1065018442.db2.gz LIRZWVFOJPDEKG-HSZRJFAPSA-N 1 0 472.584 4.638 20 0 JJADRO CC(C)n1nc(-c2nnc(N3CC=CCC3)n2CCC[NH+](C(C)C)C(C)C)c2ccccc2c1=O ZINC001360125879 1065018774 /nfs/dbraw/zinc/01/87/74/1065018774.db2.gz YEGKZRPEEHHGJZ-UHFFFAOYSA-N 1 0 477.657 4.511 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1)C(C)C ZINC001360125812 1065018867 /nfs/dbraw/zinc/01/88/67/1065018867.db2.gz WGRSRYNHNLZJFR-FQEVSTJZSA-N 1 0 484.048 4.555 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001545893695 1065019223 /nfs/dbraw/zinc/01/92/23/1065019223.db2.gz FVHUBJKHNGEOSY-IEBWSBKVSA-N 1 0 494.656 4.577 20 0 JJADRO CC(C)[NH+](CCCn1c(N2CCC(C(=O)Nc3ccccc3)CC2)nnc1C(C)(C)C)C(C)C ZINC001360126473 1065020255 /nfs/dbraw/zinc/02/02/55/1065020255.db2.gz RVQGOFUCSSXVBH-UHFFFAOYSA-N 1 0 468.690 4.940 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C(C)C ZINC001360126926 1065021325 /nfs/dbraw/zinc/02/13/25/1065021325.db2.gz ZGBVXUWPUYRLTQ-UHFFFAOYSA-N 1 0 497.581 4.865 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C(C)C ZINC001360128730 1065023240 /nfs/dbraw/zinc/02/32/40/1065023240.db2.gz MPLLTTPBSSFSLU-HXUWFJFHSA-N 1 0 488.652 4.649 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H]1CCCCO1)C(C)C ZINC001360128883 1065024323 /nfs/dbraw/zinc/02/43/23/1065024323.db2.gz KTKSFAHPTFVDBG-JOCHJYFZSA-N 1 0 466.630 4.724 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]2CCC[C@H]21)C(C)C ZINC001360129031 1065024417 /nfs/dbraw/zinc/02/44/17/1065024417.db2.gz QUWXJPHNIYRULU-YLJYHZDGSA-N 1 0 463.468 4.923 20 0 JJADRO CCCN(C(=O)c1cc2c(cc1Br)OCO2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360129233 1065024922 /nfs/dbraw/zinc/02/49/22/1065024922.db2.gz HLZOOPDHTWCAOW-SFHVURJKSA-N 1 0 459.384 4.695 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001360129889 1065025837 /nfs/dbraw/zinc/02/58/37/1065025837.db2.gz XQGYTCJJKIWDOP-UHFFFAOYSA-N 1 0 478.616 4.697 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)c2cccs2)CC1)C(C)C ZINC001360131510 1065026683 /nfs/dbraw/zinc/02/66/83/1065026683.db2.gz ASQQTKLRFIMWBZ-UHFFFAOYSA-N 1 0 480.682 4.544 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)C(C)C ZINC001360132254 1065027288 /nfs/dbraw/zinc/02/72/88/1065027288.db2.gz HNLJEJQKCXPMPS-TZIWHRDSSA-N 1 0 496.469 4.810 20 0 JJADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC001435856650 1065027750 /nfs/dbraw/zinc/02/77/50/1065027750.db2.gz UQHFPYFRPSOCHX-HSZRJFAPSA-N 1 0 456.512 4.944 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001360132876 1065027826 /nfs/dbraw/zinc/02/78/26/1065027826.db2.gz YKLXGWBKLHAMJC-BJKOFHAPSA-N 1 0 457.659 4.939 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C2CC2)C1)C(C)C ZINC001360133408 1065028633 /nfs/dbraw/zinc/02/86/33/1065028633.db2.gz RPEPMVLYJFWYQA-DHIUTWEWSA-N 1 0 488.721 4.748 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)o1)C(C)C ZINC001360133611 1065029196 /nfs/dbraw/zinc/02/91/96/1065029196.db2.gz VXGZAUUYDPAPBK-GOSISDBHSA-N 1 0 468.440 4.630 20 0 JJADRO CC(C)[NH+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1)C(C)C ZINC001360134018 1065029655 /nfs/dbraw/zinc/02/96/55/1065029655.db2.gz BRXFWXQWUREQGW-GOTSBHOMSA-N 1 0 476.065 4.777 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)C(C)C ZINC001360134197 1065029964 /nfs/dbraw/zinc/02/99/64/1065029964.db2.gz HGGGNSWVIJRWMX-UHFFFAOYSA-N 1 0 469.600 4.518 20 0 JJADRO CC(C)[NH+](CCn1c(N2CCC(CO)(Cc3ccccc3)CC2)nnc1C(C)(C)C)C(C)C ZINC001360134739 1065031163 /nfs/dbraw/zinc/03/11/63/1065031163.db2.gz NWIQXFQNPVVGRW-UHFFFAOYSA-N 1 0 455.691 4.516 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cscn1)C(C)C ZINC001360135191 1065031567 /nfs/dbraw/zinc/03/15/67/1065031567.db2.gz SBDZXSAABOYHAK-FQEVSTJZSA-N 1 0 491.706 4.562 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001360136154 1065032135 /nfs/dbraw/zinc/03/21/35/1065032135.db2.gz BPDUXLYOCXBRAH-IBGZPJMESA-N 1 0 460.066 4.706 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N(Cc2ccco2)Cc2ccccc2)CC1 ZINC001360136801 1065032596 /nfs/dbraw/zinc/03/25/96/1065032596.db2.gz QFZLXBUEUJFOBP-UHFFFAOYSA-N 1 0 479.669 4.902 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001360137495 1065033258 /nfs/dbraw/zinc/03/32/58/1065033258.db2.gz YEEBLKDWWKVHKE-FQEVSTJZSA-N 1 0 474.093 4.630 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001360137565 1065033418 /nfs/dbraw/zinc/03/34/18/1065033418.db2.gz ULJNHZJCLXQQNL-UHFFFAOYSA-N 1 0 475.628 4.713 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)C2CCCCC2)C1 ZINC001360138500 1065034026 /nfs/dbraw/zinc/03/40/26/1065034026.db2.gz HDYJEKUKRVLFEV-GOSISDBHSA-N 1 0 477.495 4.935 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCC2CCOCC2)C1 ZINC001360138474 1065034391 /nfs/dbraw/zinc/03/43/91/1065034391.db2.gz GUQMGQXZWDVEFK-NRFANRHFSA-N 1 0 491.627 4.920 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCC(F)(F)C2)C1 ZINC001360139244 1065035411 /nfs/dbraw/zinc/03/54/11/1065035411.db2.gz PLKKRFREJCAXQY-INIZCTEOSA-N 1 0 468.390 4.673 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001360139873 1065036726 /nfs/dbraw/zinc/03/67/26/1065036726.db2.gz VSLYMTIYCNEIBN-IBGZPJMESA-N 1 0 456.997 4.889 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC001360140644 1065038067 /nfs/dbraw/zinc/03/80/67/1065038067.db2.gz HZIYHPQUBYZJPA-PVQFMVPOSA-N 1 0 499.750 4.986 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCSCC2)C1 ZINC001360140603 1065038289 /nfs/dbraw/zinc/03/82/89/1065038289.db2.gz HIMWGDJWXGJZQI-QGZVFWFLSA-N 1 0 484.497 4.838 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2ccccc2)C1 ZINC001360140545 1065038399 /nfs/dbraw/zinc/03/83/99/1065038399.db2.gz GHARBGUMTYDFTH-SFTDATJTSA-N 1 0 480.682 4.587 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)C1 ZINC001360141094 1065039708 /nfs/dbraw/zinc/03/97/08/1065039708.db2.gz MEMZBOKDFOYAPH-GOSISDBHSA-N 1 0 465.564 4.598 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360141561 1065040147 /nfs/dbraw/zinc/04/01/47/1065040147.db2.gz QJKWQBPMKPBRQS-SFTDATJTSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)C1 ZINC001360141916 1065040752 /nfs/dbraw/zinc/04/07/52/1065040752.db2.gz STZZKTHOXIKTNV-TZIWHRDSSA-N 1 0 468.596 4.860 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(N3CCC(CO)(Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001360141666 1065041001 /nfs/dbraw/zinc/04/10/01/1065041001.db2.gz RFMBCRXVRNOHML-XMMPIXPASA-N 1 0 467.702 4.518 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(N3CCC(CO)(Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001360141664 1065041213 /nfs/dbraw/zinc/04/12/13/1065041213.db2.gz RFMBCRXVRNOHML-DEOSSOPVSA-N 1 0 467.702 4.518 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)C1 ZINC001360142233 1065041749 /nfs/dbraw/zinc/04/17/49/1065041749.db2.gz VOTWSVOOPZPGPK-WXVAWEFUSA-N 1 0 488.120 4.824 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CCCOc2ccccc2)C1 ZINC001360142451 1065042260 /nfs/dbraw/zinc/04/22/60/1065042260.db2.gz WNEBXHAYJNMEQJ-VWNXMTODSA-N 1 0 455.647 4.545 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CCCOc2ccccc2)C1 ZINC001360142450 1065042459 /nfs/dbraw/zinc/04/24/59/1065042459.db2.gz WNEBXHAYJNMEQJ-UPVQGACJSA-N 1 0 455.647 4.545 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@@H]2C)C1 ZINC001360142486 1065042603 /nfs/dbraw/zinc/04/26/03/1065042603.db2.gz XIWDEIJYZYBJTF-RBUKOAKNSA-N 1 0 476.463 4.729 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360143256 1065043094 /nfs/dbraw/zinc/04/30/94/1065043094.db2.gz CJHVBVHVMRWUIV-GOSISDBHSA-N 1 0 452.981 4.740 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCCC2CCOCC2)CC1 ZINC001360143868 1065044508 /nfs/dbraw/zinc/04/45/08/1065044508.db2.gz ORGXWZANFYFTAH-UHFFFAOYSA-N 1 0 496.519 4.896 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2Br)CC1 ZINC001360144193 1065045212 /nfs/dbraw/zinc/04/52/12/1065045212.db2.gz WLBGHLURKBTAMI-UHFFFAOYSA-N 1 0 489.849 4.725 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccn3C)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001360144424 1065046218 /nfs/dbraw/zinc/04/62/18/1065046218.db2.gz HYAOZJYJHKAEKD-UHFFFAOYSA-N 1 0 493.656 4.599 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@H](F)c2ccc(Br)cc2)CC1 ZINC001360144274 1065046300 /nfs/dbraw/zinc/04/63/00/1065046300.db2.gz DPLLACZOGNTNCV-IBGZPJMESA-N 1 0 450.400 4.549 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)CC1 ZINC001360146209 1065048059 /nfs/dbraw/zinc/04/80/59/1065048059.db2.gz GNJWSCQOIJAWPC-GOTSBHOMSA-N 1 0 486.705 4.669 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001360146696 1065048934 /nfs/dbraw/zinc/04/89/34/1065048934.db2.gz SWUKQZDUMOIACN-HSZRJFAPSA-N 1 0 498.672 4.836 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2CCSCc2ccccc2F)CC1 ZINC001360146936 1065049422 /nfs/dbraw/zinc/04/94/22/1065049422.db2.gz ASDDIUCCAPTQIE-UHFFFAOYSA-N 1 0 473.687 4.923 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001360147305 1065050026 /nfs/dbraw/zinc/05/00/26/1065050026.db2.gz PSHVFSZVPKMKJJ-UUOWRZLLSA-N 1 0 496.483 4.636 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CC3CC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001360147288 1065050373 /nfs/dbraw/zinc/05/03/73/1065050373.db2.gz PCCRBMDRDYPOBM-OAQYLSRUSA-N 1 0 453.528 4.772 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC2(F)CCC2)CC1 ZINC001360149581 1065052902 /nfs/dbraw/zinc/05/29/02/1065052902.db2.gz VBJOFVSSLVYYGF-UHFFFAOYSA-N 1 0 456.429 4.582 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001360149458 1065053020 /nfs/dbraw/zinc/05/30/20/1065053020.db2.gz PJGLYWCJROVIBF-GOSISDBHSA-N 1 0 478.504 4.770 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(C(C)C)CC2)CC1 ZINC001360149668 1065053112 /nfs/dbraw/zinc/05/31/12/1065053112.db2.gz YFWWKTDFROVGSS-UHFFFAOYSA-N 1 0 452.466 4.736 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001360149466 1065053251 /nfs/dbraw/zinc/05/32/51/1065053251.db2.gz POTJBVPMUAASRJ-UHFFFAOYSA-N 1 0 484.979 4.847 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001360153074 1065056125 /nfs/dbraw/zinc/05/61/25/1065056125.db2.gz DWDCKLYBICBDQK-HHHXNRCGSA-N 1 0 497.709 4.654 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001360153535 1065056143 /nfs/dbraw/zinc/05/61/43/1065056143.db2.gz YNPPPOANWIVYQU-KRWDZBQOSA-N 1 0 498.416 4.585 20 0 JJADRO CCOc1ccccc1-c1cccc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC001360160788 1065059829 /nfs/dbraw/zinc/05/98/29/1065059829.db2.gz RFBCXNYORIBRNB-UHFFFAOYSA-N 1 0 457.574 4.830 20 0 JJADRO COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)s2)cc1 ZINC001360169007 1065063702 /nfs/dbraw/zinc/06/37/02/1065063702.db2.gz PWBZFUXNGOXYQH-UHFFFAOYSA-N 1 0 453.564 4.592 20 0 JJADRO Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001435933520 1065070036 /nfs/dbraw/zinc/07/00/36/1065070036.db2.gz HTABHMAGILPZFM-XMMPIXPASA-N 1 0 459.512 4.528 20 0 JJADRO CC(C)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001360183343 1065070817 /nfs/dbraw/zinc/07/08/17/1065070817.db2.gz UGGALCIKUBPACF-UHFFFAOYSA-N 1 0 480.682 4.537 20 0 JJADRO CCCCN1C(=O)CC[C@H](C(=O)Nc2ccccc2CC[NH+](C)C)[C@H]1c1ccccc1OC ZINC001435946183 1065076206 /nfs/dbraw/zinc/07/62/06/1065076206.db2.gz AWQGOFSYLLTDCV-BKMJKUGQSA-N 1 0 451.611 4.518 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001360215254 1065083878 /nfs/dbraw/zinc/08/38/78/1065083878.db2.gz YCLNSOUHEYEITQ-QHCPKHFHSA-N 1 0 451.611 4.696 20 0 JJADRO COc1cccc([C@@H](C)CCCC(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)c1 ZINC001360217185 1065085177 /nfs/dbraw/zinc/08/51/77/1065085177.db2.gz ZLRHVZQBVLYJFH-IBGZPJMESA-N 1 0 452.599 4.823 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360222553 1065087012 /nfs/dbraw/zinc/08/70/12/1065087012.db2.gz UGFSMKVBSLVYDK-JSXRDJHFSA-N 1 0 498.638 4.801 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc2)CC1 ZINC001435979719 1065090800 /nfs/dbraw/zinc/09/08/00/1065090800.db2.gz XBXYUAUJIAZLDW-UHFFFAOYSA-N 1 0 456.015 4.565 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1CC1 ZINC001435989965 1065095518 /nfs/dbraw/zinc/09/55/18/1065095518.db2.gz IPINFADAXKGLHZ-NRUKRLKBSA-N 1 0 453.671 4.659 20 0 JJADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001435993123 1065097760 /nfs/dbraw/zinc/09/77/60/1065097760.db2.gz AIAXUOFCWCHNAT-JOCHJYFZSA-N 1 0 455.400 4.521 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC001435996061 1065099517 /nfs/dbraw/zinc/09/95/17/1065099517.db2.gz XYGBLFYSBZOYMZ-LJQANCHMSA-N 1 0 453.808 4.998 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(I)cc1Cl)c1ccccc1 ZINC001436013572 1065111386 /nfs/dbraw/zinc/11/13/86/1065111386.db2.gz KLGMEOREMSAGJU-GOSISDBHSA-N 1 0 456.755 4.644 20 0 JJADRO C[C@@H](CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)[N@H+](C)Cc1ccccc1 ZINC001360281575 1065122267 /nfs/dbraw/zinc/12/22/67/1065122267.db2.gz GRBYYGMXRZPTLS-INIZCTEOSA-N 1 0 457.405 4.918 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)C(F)(F)c1ncccc1Br ZINC001360283523 1065123554 /nfs/dbraw/zinc/12/35/54/1065123554.db2.gz QNMQOIHWTRRNJN-UHFFFAOYSA-N 1 0 452.343 4.628 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCS2)CC1 ZINC001360304571 1065138048 /nfs/dbraw/zinc/13/80/48/1065138048.db2.gz BRKFRTQMDRQDFU-OAHLLOKOSA-N 1 0 470.506 4.632 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCS2)CC1 ZINC001360304820 1065138601 /nfs/dbraw/zinc/13/86/01/1065138601.db2.gz DZAUNMAEAPULGU-FQEVSTJZSA-N 1 0 478.504 4.960 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(Cl)nc2)CC1 ZINC001360305166 1065139237 /nfs/dbraw/zinc/13/92/37/1065139237.db2.gz JWKITWPLZRBPET-UHFFFAOYSA-N 1 0 489.849 4.771 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCCS2)CC1 ZINC001360305374 1065139914 /nfs/dbraw/zinc/13/99/14/1065139914.db2.gz OALKBWQMPHEHQW-SFHVURJKSA-N 1 0 452.043 4.990 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001360308426 1065143928 /nfs/dbraw/zinc/14/39/28/1065143928.db2.gz HELZPKYWVUMLLJ-HXUWFJFHSA-N 1 0 451.537 4.554 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001360308424 1065143958 /nfs/dbraw/zinc/14/39/58/1065143958.db2.gz HELZPKYWVUMLLJ-FQEVSTJZSA-N 1 0 451.537 4.554 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001360309160 1065144471 /nfs/dbraw/zinc/14/44/71/1065144471.db2.gz SDGOQFRIWHOVTH-IFMALSPDSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(F)(F)F)c2)CC1 ZINC001360309298 1065145045 /nfs/dbraw/zinc/14/50/45/1065145045.db2.gz ARRJYYOEJFOUBU-UHFFFAOYSA-N 1 0 463.573 4.964 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCSC2)CC1 ZINC001360309686 1065145988 /nfs/dbraw/zinc/14/59/88/1065145988.db2.gz JFFIATANVSGDOE-QGZVFWFLSA-N 1 0 466.120 4.944 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001360309963 1065146348 /nfs/dbraw/zinc/14/63/48/1065146348.db2.gz TYWNFFPBOBCUCJ-QFIPXVFZSA-N 1 0 491.627 4.546 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360309870 1065146390 /nfs/dbraw/zinc/14/63/90/1065146390.db2.gz PYHFHJNZJNYSKM-UHFFFAOYSA-N 1 0 459.704 4.881 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Br)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001360310099 1065147188 /nfs/dbraw/zinc/14/71/88/1065147188.db2.gz YZRNEQYVAFPZAV-LEWJYISDSA-N 1 0 476.463 4.803 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@H](c2cccs2)[NH+](C)C)CCOC1 ZINC001360319299 1065153504 /nfs/dbraw/zinc/15/35/04/1065153504.db2.gz GHRLWRFAHZBUEJ-AXHZCLLHSA-N 1 0 489.711 4.942 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001360320326 1065156266 /nfs/dbraw/zinc/15/62/66/1065156266.db2.gz WSIVCKCNNBEGSY-ZBLYBZFDSA-N 1 0 487.664 4.920 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2sc(-c3ccccc3C)nc2C)cc1 ZINC001360323179 1065160759 /nfs/dbraw/zinc/16/07/59/1065160759.db2.gz WVRHZEFGPXEUEH-UHFFFAOYSA-N 1 0 451.592 4.718 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)Cc3cccs3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360324586 1065164245 /nfs/dbraw/zinc/16/42/45/1065164245.db2.gz QMMSYCBHQIMENV-WIOPSUGQSA-N 1 0 475.703 4.527 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360325508 1065166814 /nfs/dbraw/zinc/16/68/14/1065166814.db2.gz HFGIJHHEIVTWBS-LSCGWGKXSA-N 1 0 473.706 4.622 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCC(C(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCOC1 ZINC001360336112 1065184223 /nfs/dbraw/zinc/18/42/23/1065184223.db2.gz NJCKCPOCFIQKQF-KCWPFWIISA-N 1 0 475.722 4.846 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCc4ccc(F)cc4C3)n2CCC[NH+](C(C)C)C(C)C)CCOC1 ZINC001360340273 1065189050 /nfs/dbraw/zinc/18/90/50/1065189050.db2.gz BWKJBROBWXGMFA-HHHXNRCGSA-N 1 0 487.664 4.529 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCCCCCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001360345705 1065195078 /nfs/dbraw/zinc/19/50/78/1065195078.db2.gz MTNYQHGXFRMALG-OZXSUGGESA-N 1 0 473.637 4.531 20 0 JJADRO CC(C)Oc1ccc(Cn2c(-c3cccn3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001360356368 1065206459 /nfs/dbraw/zinc/20/64/59/1065206459.db2.gz VIDIXKFQLSYZIW-UHFFFAOYSA-N 1 0 464.658 4.677 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2oc3c(cc(Br)cc3C)c2C)[C@@H](C)C1 ZINC001360358378 1065210535 /nfs/dbraw/zinc/21/05/35/1065210535.db2.gz DVNIQGXFULMPAZ-HNAYVOBHSA-N 1 0 451.405 4.679 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001360360278 1065213701 /nfs/dbraw/zinc/21/37/01/1065213701.db2.gz SAEFAOKZOAXMLN-ILBGXUMGSA-N 1 0 469.674 4.716 20 0 JJADRO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC001360367348 1065226089 /nfs/dbraw/zinc/22/60/89/1065226089.db2.gz HERZQYQYALSWOD-CAOCKLPOSA-N 1 0 483.701 4.507 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545895914 1065231649 /nfs/dbraw/zinc/23/16/49/1065231649.db2.gz HYJZMIQDMQQTSU-PXDATVDWSA-N 1 0 480.701 4.660 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2c(C)c(C)sc2Br)c1 ZINC001436193522 1065242307 /nfs/dbraw/zinc/24/23/07/1065242307.db2.gz BJVCKJUOOZOOJR-UHFFFAOYSA-N 1 0 453.402 4.878 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)[C@H](C)c2ccc(Br)s2)c1 ZINC001436196459 1065244201 /nfs/dbraw/zinc/24/42/01/1065244201.db2.gz MXRDKMUZVRAAIY-CQSZACIVSA-N 1 0 453.402 4.751 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197534 1065244709 /nfs/dbraw/zinc/24/47/09/1065244709.db2.gz JPAPDTDVNQZQLZ-FCHUYYIVSA-N 1 0 450.410 4.760 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)c1cc2c(c(Br)c1)OCO2)c1ccc(Cl)cc1 ZINC001436197981 1065245264 /nfs/dbraw/zinc/24/52/64/1065245264.db2.gz QWTVSCKJBHOZPN-KRWDZBQOSA-N 1 0 453.764 4.644 20 0 JJADRO CC(C)OCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001360383341 1065245641 /nfs/dbraw/zinc/24/56/41/1065245641.db2.gz QKZBHFZPJYYYGH-IFMALSPDSA-N 1 0 476.065 4.951 20 0 JJADRO COC1CC[NH+](C2(CNC(=O)c3cc4ccc(Br)cc4s3)CCCC2)CC1 ZINC001360388397 1065253001 /nfs/dbraw/zinc/25/30/01/1065253001.db2.gz SWAAVWLTTGFYII-UHFFFAOYSA-N 1 0 451.430 4.817 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001436210080 1065253250 /nfs/dbraw/zinc/25/32/50/1065253250.db2.gz UCPZDQSUVHOYPJ-BJKOFHAPSA-N 1 0 451.611 4.720 20 0 JJADRO CC(C)OCCCn1c(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nnc1C(C)(C)C ZINC001360394277 1065258631 /nfs/dbraw/zinc/25/86/31/1065258631.db2.gz OWNTUDUXRINSMQ-UHFFFAOYSA-N 1 0 453.675 4.883 20 0 JJADRO CC(C)OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001360407242 1065269910 /nfs/dbraw/zinc/26/99/10/1065269910.db2.gz KLRHUDLJHHYFBK-RBZQAINGSA-N 1 0 475.722 4.714 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001360409357 1065272410 /nfs/dbraw/zinc/27/24/10/1065272410.db2.gz FMKCFFVRNLDNKJ-PZJWPPBQSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(C)(F)F)CC1 ZINC001360409653 1065272971 /nfs/dbraw/zinc/27/29/71/1065272971.db2.gz PFMONETUUJIGQU-UHFFFAOYSA-N 1 0 476.399 4.844 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001360409752 1065273819 /nfs/dbraw/zinc/27/38/19/1065273819.db2.gz SDZSGMLHXPONJD-UXHICEINSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCC(C)(C)C)CC1 ZINC001360410188 1065274756 /nfs/dbraw/zinc/27/47/56/1065274756.db2.gz GEYFFEVWYNGVPO-UHFFFAOYSA-N 1 0 479.673 4.504 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)s2)cc1OC ZINC001360411458 1065275193 /nfs/dbraw/zinc/27/51/93/1065275193.db2.gz ACHXOVCLFPKFPH-HXUWFJFHSA-N 1 0 451.592 4.530 20 0 JJADRO CCc1nc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001360412688 1065275944 /nfs/dbraw/zinc/27/59/44/1065275944.db2.gz XCYSDNALADNFIX-KRWDZBQOSA-N 1 0 458.393 4.531 20 0 JJADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC001436257516 1065277381 /nfs/dbraw/zinc/27/73/81/1065277381.db2.gz QALVWIVVYBXYNK-WNYOCNMUSA-N 1 0 456.375 4.744 20 0 JJADRO CC(C)SCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001360415316 1065278113 /nfs/dbraw/zinc/27/81/13/1065278113.db2.gz RUCMVGHGLYTAIM-LJQANCHMSA-N 1 0 461.651 4.763 20 0 JJADRO CC(C)SCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001360416703 1065279733 /nfs/dbraw/zinc/27/97/33/1065279733.db2.gz IQFXJFBQMYUZQQ-HSZRJFAPSA-N 1 0 471.715 4.685 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545896537 1065280508 /nfs/dbraw/zinc/28/05/08/1065280508.db2.gz VBGBEDXFUUMMSW-NFBKMPQASA-N 1 0 458.695 4.620 20 0 JJADRO C[C@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001436280878 1065285366 /nfs/dbraw/zinc/28/53/66/1065285366.db2.gz PWQUZRGQVFTKIO-IKJWCUOUSA-N 1 0 453.671 4.612 20 0 JJADRO CC(C)SCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360422107 1065288325 /nfs/dbraw/zinc/28/83/25/1065288325.db2.gz VPISTUNFFSRNDD-UHFFFAOYSA-N 1 0 451.631 4.599 20 0 JJADRO CC(C)SCCn1c(Cc2ccncc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360422734 1065289424 /nfs/dbraw/zinc/28/94/24/1065289424.db2.gz ICRBAYZAADMSSF-JOCHJYFZSA-N 1 0 470.731 4.886 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360428126 1065300158 /nfs/dbraw/zinc/30/01/58/1065300158.db2.gz CSBMOCUTVHSFDL-YWZLYKJASA-N 1 0 471.581 4.519 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(CC2CCCC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001360428347 1065300870 /nfs/dbraw/zinc/30/08/70/1065300870.db2.gz ICDKOMCRCRZEKE-FQEVSTJZSA-N 1 0 488.671 4.760 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1)C(C)C ZINC001360432209 1065308788 /nfs/dbraw/zinc/30/87/88/1065308788.db2.gz NZBWQWUMTCTCGV-FPOVZHCZSA-N 1 0 466.630 4.682 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360432480 1065309890 /nfs/dbraw/zinc/30/98/90/1065309890.db2.gz KHYJSALUEGPDTF-WZONZLPQSA-N 1 0 453.610 4.526 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCc1ccc(C)cc1 ZINC001545897755 1065310228 /nfs/dbraw/zinc/31/02/28/1065310228.db2.gz GCLIBTYBBIRISA-ILBGXUMGSA-N 1 0 494.728 4.838 20 0 JJADRO C[C@@H](c1cc2ccccc2o1)N(C)c1nnc(C(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001360433853 1065313194 /nfs/dbraw/zinc/31/31/94/1065313194.db2.gz ZCBFPLPOXGUULN-IBGZPJMESA-N 1 0 452.647 4.545 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360439706 1065322439 /nfs/dbraw/zinc/32/24/39/1065322439.db2.gz LSKAQSHKKPSNBX-SQNFJHRZSA-N 1 0 473.712 4.875 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360440845 1065325052 /nfs/dbraw/zinc/32/50/52/1065325052.db2.gz YLNJGEXMGYBOPB-VHKJGPOGSA-N 1 0 496.706 4.583 20 0 JJADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(CC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360444479 1065332119 /nfs/dbraw/zinc/33/21/19/1065332119.db2.gz VQAZYZLEDYTDKM-SIKLNZKXSA-N 1 0 494.640 4.917 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1cccc(O)c1)[N@H+](C)C1CC1 ZINC001360445416 1065333299 /nfs/dbraw/zinc/33/32/99/1065333299.db2.gz BRVJHHNMACQEQN-DPZOUVDISA-N 1 0 455.647 4.582 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCCC1 ZINC001360449895 1065340551 /nfs/dbraw/zinc/34/05/51/1065340551.db2.gz BQSSGRRWESBAJE-OAQYLSRUSA-N 1 0 482.673 4.686 20 0 JJADRO C[C@@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360450484 1065341818 /nfs/dbraw/zinc/34/18/18/1065341818.db2.gz NFZMYXXVZWZWCC-VJBMBRPKSA-N 1 0 482.673 4.888 20 0 JJADRO C[C@@H](c1ccccc1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001360450996 1065343100 /nfs/dbraw/zinc/34/31/00/1065343100.db2.gz UVAVXVVUINYQPY-GMAHTHKFSA-N 1 0 482.673 4.686 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCN(c2ccccc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001436531391 1065347313 /nfs/dbraw/zinc/34/73/13/1065347313.db2.gz MVXBNZYAGUEBML-VGOFRKELSA-N 1 0 451.508 4.870 20 0 JJADRO C[C@@H](c1ccccc1F)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CC1)[NH+](C)C ZINC001360453924 1065349214 /nfs/dbraw/zinc/34/92/14/1065349214.db2.gz AYBXMAILQWOAFB-RMVZNSSTSA-N 1 0 457.638 4.873 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360454220 1065350671 /nfs/dbraw/zinc/35/06/71/1065350671.db2.gz FUAVZSMVQMVHOV-WMZHIEFXSA-N 1 0 499.681 4.650 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001360455027 1065354139 /nfs/dbraw/zinc/35/41/39/1065354139.db2.gz XWQHZSIWLJAEMI-SFHVURJKSA-N 1 0 489.039 4.802 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001360459020 1065359393 /nfs/dbraw/zinc/35/93/93/1065359393.db2.gz RVDCYUNTBMYUEE-WOJBJXKFSA-N 1 0 486.661 4.667 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001360459019 1065359585 /nfs/dbraw/zinc/35/95/85/1065359585.db2.gz RVDCYUNTBMYUEE-VQTJNVASSA-N 1 0 486.661 4.667 20 0 JJADRO COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OCCOC(C)C)c1 ZINC001360459150 1065360303 /nfs/dbraw/zinc/36/03/03/1065360303.db2.gz FWLHATJJYLASIW-JTHBVZDNSA-N 1 0 454.611 4.624 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(CCCc2ccccc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360459629 1065361699 /nfs/dbraw/zinc/36/16/99/1065361699.db2.gz XOXRIKVFUDAMSB-CJFMBICVSA-N 1 0 453.656 4.681 20 0 JJADRO C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360461083 1065365245 /nfs/dbraw/zinc/36/52/45/1065365245.db2.gz MOFVLPLZXUTDNJ-BTYIYWSLSA-N 1 0 463.076 4.690 20 0 JJADRO C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360461086 1065365319 /nfs/dbraw/zinc/36/53/19/1065365319.db2.gz MOFVLPLZXUTDNJ-YCRPNKLZSA-N 1 0 463.076 4.690 20 0 JJADRO C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001360462731 1065371225 /nfs/dbraw/zinc/37/12/25/1065371225.db2.gz KZGCEXUQGRXOET-VQTJNVASSA-N 1 0 488.702 4.747 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001360462730 1065371372 /nfs/dbraw/zinc/37/13/72/1065371372.db2.gz KZGCEXUQGRXOET-UXHICEINSA-N 1 0 488.702 4.747 20 0 JJADRO O=C(c1ccc(C(F)F)c(F)c1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436604527 1065395181 /nfs/dbraw/zinc/39/51/81/1065395181.db2.gz FUPFWBRPHRGHNG-UHFFFAOYSA-N 1 0 451.920 4.844 20 0 JJADRO O=C(CCNC(=O)c1ccsc1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436619604 1065400821 /nfs/dbraw/zinc/40/08/21/1065400821.db2.gz ULFXQCSEFYWFSN-XMMPIXPASA-N 1 0 453.652 4.551 20 0 JJADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001360485669 1065405624 /nfs/dbraw/zinc/40/56/24/1065405624.db2.gz LZORBKUVDRGAMY-SIKLNZKXSA-N 1 0 494.709 4.841 20 0 JJADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ncccc1OCC(F)(F)F ZINC001436631286 1065408005 /nfs/dbraw/zinc/40/80/05/1065408005.db2.gz IPYUJCKZXRRSGZ-LEWJYISDSA-N 1 0 473.470 4.560 20 0 JJADRO C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1cccs1)[N@H+](C)Cc1ccccc1 ZINC001360504785 1065436618 /nfs/dbraw/zinc/43/66/18/1065436618.db2.gz BXIBPDMGMRJRTK-NHCUHLMSSA-N 1 0 480.682 4.684 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 ZINC001545901276 1065437454 /nfs/dbraw/zinc/43/74/54/1065437454.db2.gz IEKPFMLLHYGJHQ-UHFFFAOYSA-N 1 0 452.426 4.995 20 0 JJADRO C[C@@H](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCOCC1)[NH+]1CCCCC1 ZINC001360504875 1065438155 /nfs/dbraw/zinc/43/81/55/1065438155.db2.gz CWWKBZUBXIGAOF-KRWDZBQOSA-N 1 0 452.430 4.743 20 0 JJADRO C[C@@H](CCn1c(-c2cccn2C)nnc1N(CCC(F)(F)F)CC1CC1)[NH+]1CCCCC1 ZINC001360505184 1065439943 /nfs/dbraw/zinc/43/99/43/1065439943.db2.gz JJZMMHLXWINVEN-SFHVURJKSA-N 1 0 452.569 4.717 20 0 JJADRO Cc1c(C(=O)NCCCCN(OCc2ccccc2)C(=O)OC(C)(C)C)ccc2c[nH+]cn21 ZINC001436800759 1065442524 /nfs/dbraw/zinc/44/25/24/1065442524.db2.gz IXTVAXGAABVQMG-UHFFFAOYSA-N 1 0 452.555 4.522 20 0 JJADRO C[C@H](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360508583 1065447208 /nfs/dbraw/zinc/44/72/08/1065447208.db2.gz FORDHJPDCGTFMV-GGAORHGYSA-N 1 0 464.658 4.968 20 0 JJADRO C[C@H](CCn1c(C2CCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360508730 1065448124 /nfs/dbraw/zinc/44/81/24/1065448124.db2.gz IBDYDWZKISTAIL-QPPBQGQZSA-N 1 0 496.700 4.902 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[NH+]1CCCCC1 ZINC001360509183 1065449038 /nfs/dbraw/zinc/44/90/38/1065449038.db2.gz OGLNLQRWLZNNPD-SJORKVTESA-N 1 0 486.608 4.896 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360509091 1065449061 /nfs/dbraw/zinc/44/90/61/1065449061.db2.gz NJZPKEWDAMTDHE-UYAOXDASSA-N 1 0 457.585 4.953 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCOC2)nnc1N1CC=C(C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360509370 1065449598 /nfs/dbraw/zinc/44/95/98/1065449598.db2.gz RBTUDBNLTUIRNY-GMAHTHKFSA-N 1 0 451.659 4.875 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CCSC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509446 1065449735 /nfs/dbraw/zinc/44/97/35/1065449735.db2.gz SKXVOCFMTVAPAR-IFMALSPDSA-N 1 0 457.688 4.762 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H](C)c2ccccc2)CC1 ZINC001360509582 1065450503 /nfs/dbraw/zinc/45/05/03/1065450503.db2.gz VHAHBTPRGRBIRV-RDGATRHJSA-N 1 0 453.675 4.923 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1)[N@H+](C)Cc1ccccc1 ZINC001360509738 1065450777 /nfs/dbraw/zinc/45/07/77/1065450777.db2.gz XHEOKDMUESBERE-DENIHFKCSA-N 1 0 461.601 4.912 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001436843852 1065451336 /nfs/dbraw/zinc/45/13/36/1065451336.db2.gz ARIHUZYGSHMOMJ-NFBKMPQASA-N 1 0 460.540 4.780 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001360510081 1065451635 /nfs/dbraw/zinc/45/16/35/1065451635.db2.gz CVXQEPYADDICFJ-ZEQRLZLVSA-N 1 0 494.728 4.778 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)[NH+]1CCCCC1 ZINC001360510343 1065453425 /nfs/dbraw/zinc/45/34/25/1065453425.db2.gz IQMBEULSRBBLMB-CVDCTZTESA-N 1 0 475.628 4.987 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360510568 1065454889 /nfs/dbraw/zinc/45/48/89/1065454889.db2.gz NMLGDHGPLFYVOM-RBUKOAKNSA-N 1 0 486.711 4.793 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCSC2(CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC001360511146 1065455691 /nfs/dbraw/zinc/45/56/91/1065455691.db2.gz UFUQXQWTTAITJC-JOCHJYFZSA-N 1 0 485.742 4.880 20 0 JJADRO C[C@@H](CCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360511740 1065458212 /nfs/dbraw/zinc/45/82/12/1065458212.db2.gz ZNAHAPHRVYTCRL-FQEVSTJZSA-N 1 0 480.623 4.561 20 0 JJADRO CC(C)c1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360513823 1065462585 /nfs/dbraw/zinc/46/25/85/1065462585.db2.gz ITYNOAPOPHIYGZ-UPVQGACJSA-N 1 0 498.716 4.863 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC2(C)C)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001545902589 1065463475 /nfs/dbraw/zinc/46/34/75/1065463475.db2.gz SLTXWZKFBYMADZ-IBGZPJMESA-N 1 0 454.663 4.705 20 0 JJADRO C[C@@H](CCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360514028 1065464396 /nfs/dbraw/zinc/46/43/96/1065464396.db2.gz MFIVEWADWCCOBD-RBBKRZOGSA-N 1 0 484.689 4.590 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCC(OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360514217 1065465174 /nfs/dbraw/zinc/46/51/74/1065465174.db2.gz PMSHXHLHVBMBQK-XUZZJYLKSA-N 1 0 469.674 4.824 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1nccs1)[NH+]1CCCCC1 ZINC001360514294 1065465347 /nfs/dbraw/zinc/46/53/47/1065465347.db2.gz QWJMMJJQLUJCNZ-TUNNFDKTSA-N 1 0 474.719 4.597 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCO2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCCCC1 ZINC001360514471 1065466803 /nfs/dbraw/zinc/46/68/03/1065466803.db2.gz UMSOUXAKZIDJSP-FUHWJXTLSA-N 1 0 482.492 4.855 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)C1)[NH+]1CCCCC1 ZINC001360514512 1065466910 /nfs/dbraw/zinc/46/69/10/1065466910.db2.gz VDFJWWMLGVEHBM-XBCQCDMNSA-N 1 0 492.684 4.799 20 0 JJADRO C[C@@H](Cc1ccccc1Cl)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001436960638 1065481042 /nfs/dbraw/zinc/48/10/42/1065481042.db2.gz SHAXUWQPDJGVCE-HNNXBMFYSA-N 1 0 452.824 4.918 20 0 JJADRO C[C@H](CN(C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)C[NH+](C)C)c1nccs1 ZINC001360518627 1065482891 /nfs/dbraw/zinc/48/28/91/1065482891.db2.gz CDJQPDMMHKCSRU-QGZVFWFLSA-N 1 0 452.628 4.976 20 0 JJADRO C[C@@H](CN(C)c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCCC1)c1nccs1 ZINC001360518844 1065483611 /nfs/dbraw/zinc/48/36/11/1065483611.db2.gz FQQQYJADSJHAIX-HNNXBMFYSA-N 1 0 495.516 4.951 20 0 JJADRO C[C@H](CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCC[C@H]1C)c1nccs1 ZINC001360519286 1065485194 /nfs/dbraw/zinc/48/51/94/1065485194.db2.gz KKEYTXINBJIARR-IAGOWNOFSA-N 1 0 476.597 4.727 20 0 JJADRO O=C(NCc1c(F)c(F)c(Br)c(F)c1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001436980211 1065486919 /nfs/dbraw/zinc/48/69/19/1065486919.db2.gz SLCWQTRBCQJMFT-UHFFFAOYSA-N 1 0 459.281 4.921 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N(CCc2ccccn2)c2ccc(Br)cn2)o1 ZINC001436985450 1065487526 /nfs/dbraw/zinc/48/75/26/1065487526.db2.gz AYVIWZZRTFEHIT-UHFFFAOYSA-N 1 0 457.372 4.563 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2C)n1CC[NH+]1CCC(C)CC1 ZINC001545903685 1065489197 /nfs/dbraw/zinc/48/91/97/1065489197.db2.gz GIDNKMVKMNVCTO-DEOSSOPVSA-N 1 0 466.674 4.578 20 0 JJADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001437006579 1065492766 /nfs/dbraw/zinc/49/27/66/1065492766.db2.gz MRJOYAHOJSKCNC-GOSISDBHSA-N 1 0 458.027 4.910 20 0 JJADRO CC(C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001360520677 1065493750 /nfs/dbraw/zinc/49/37/50/1065493750.db2.gz KXZBZEHPHPEOMZ-GHTZIAJQSA-N 1 0 489.089 4.652 20 0 JJADRO Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C(C)C)cc1 ZINC001437009883 1065494587 /nfs/dbraw/zinc/49/45/87/1065494587.db2.gz UZDAZXUESYZRTK-XMMPIXPASA-N 1 0 453.652 4.966 20 0 JJADRO C[C@H](CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCC[NH+]1CCOCC1)c1nccs1 ZINC001360521024 1065494731 /nfs/dbraw/zinc/49/47/31/1065494731.db2.gz PTQYZPKAUBZTIB-QGZVFWFLSA-N 1 0 493.052 4.546 20 0 JJADRO C[C@@H](CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1)c1nccs1 ZINC001360521682 1065496363 /nfs/dbraw/zinc/49/63/63/1065496363.db2.gz XXGSOYHNQUQYKI-KSFYIVLOSA-N 1 0 477.103 4.732 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(OC)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545904062 1065497084 /nfs/dbraw/zinc/49/70/84/1065497084.db2.gz NMTKCYMVXWJHDR-SQJMNOBHSA-N 1 0 496.700 4.667 20 0 JJADRO C[C@H](CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1)[NH+](C)C)c1nccs1 ZINC001360521822 1065497601 /nfs/dbraw/zinc/49/76/01/1065497601.db2.gz ZZIPRLREDZSBMS-XLIONFOSSA-N 1 0 482.057 4.993 20 0 JJADRO C[C@H](CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1cccs1)[NH+](C)C)c1nccs1 ZINC001360525317 1065501581 /nfs/dbraw/zinc/50/15/81/1065501581.db2.gz SFHOQYBHZAGHCW-SQNIBIBYSA-N 1 0 460.673 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(O)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001545904246 1065501518 /nfs/dbraw/zinc/50/15/18/1065501518.db2.gz QJKZHKDXICNFCA-GOTSBHOMSA-N 1 0 496.681 4.608 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccc(OC)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001545904341 1065503275 /nfs/dbraw/zinc/50/32/75/1065503275.db2.gz SKIPTUAKBAMLST-PXDATVDWSA-N 1 0 496.700 4.667 20 0 JJADRO C[C@@H](CN(C)c1nnc(Cc2ccncc2)n1C[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001360526267 1065504282 /nfs/dbraw/zinc/50/42/82/1065504282.db2.gz INAJDJHIFIPVRQ-NZQKXSOJSA-N 1 0 460.651 4.868 20 0 JJADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[NH+](C)C ZINC001360534374 1065515661 /nfs/dbraw/zinc/51/56/61/1065515661.db2.gz FCYMTIXLEBSWGI-HNNXBMFYSA-N 1 0 463.399 4.540 20 0 JJADRO C[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+](C)C ZINC001360534369 1065515672 /nfs/dbraw/zinc/51/56/72/1065515672.db2.gz FASMLEVKAAVECD-ZDUSSCGKSA-N 1 0 487.979 4.657 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360535796 1065518041 /nfs/dbraw/zinc/51/80/41/1065518041.db2.gz QWKCNAIZRULRMA-QGZVFWFLSA-N 1 0 490.490 4.974 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1c1ccco1)[NH+](C)C ZINC001360536237 1065518523 /nfs/dbraw/zinc/51/85/23/1065518523.db2.gz LOFJODLYXHLISS-KDOFPFPSSA-N 1 0 462.367 4.731 20 0 JJADRO C[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCc1ccccn1)[NH+](C)C ZINC001360536862 1065520244 /nfs/dbraw/zinc/52/02/44/1065520244.db2.gz SIEUJPFNDWMESH-IBGZPJMESA-N 1 0 452.672 4.690 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC001360539957 1065524255 /nfs/dbraw/zinc/52/42/55/1065524255.db2.gz CLLHPMKYJANRPL-ZDUSSCGKSA-N 1 0 480.863 4.935 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)[NH+](C)C ZINC001360541683 1065529283 /nfs/dbraw/zinc/52/92/83/1065529283.db2.gz RSEMFKCCONEDPQ-JOCHJYFZSA-N 1 0 494.728 4.812 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001437286548 1065530976 /nfs/dbraw/zinc/53/09/76/1065530976.db2.gz GFAGWVQYFMHYEG-MSNJVRRCSA-N 1 0 457.659 4.685 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001437286540 1065531136 /nfs/dbraw/zinc/53/11/36/1065531136.db2.gz GFAGWVQYFMHYEG-CAUSLRQDSA-N 1 0 457.659 4.685 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001360542237 1065531010 /nfs/dbraw/zinc/53/10/10/1065531010.db2.gz YXESUTAUSQITBO-LBPRGKRZSA-N 1 0 459.219 4.691 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCc3sccc3C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001545906070 1065532557 /nfs/dbraw/zinc/53/25/57/1065532557.db2.gz PTLDXCKWEUZGLZ-FQEVSTJZSA-N 1 0 486.730 4.579 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ccc(Br)o1)[NH+](C)C ZINC001360544172 1065533349 /nfs/dbraw/zinc/53/33/49/1065533349.db2.gz CZNCHVGMQRIFAQ-ZDUSSCGKSA-N 1 0 452.784 4.541 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360545062 1065535463 /nfs/dbraw/zinc/53/54/63/1065535463.db2.gz WBJSAHQBMJVDAR-IEBWSBKVSA-N 1 0 490.490 4.974 20 0 JJADRO C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001437313274 1065535688 /nfs/dbraw/zinc/53/56/88/1065535688.db2.gz HVMNDPIUGIWALR-BMQTXXJKSA-N 1 0 457.412 4.825 20 0 JJADRO C[C@@H]1CN(C(=O)[C@H]2CCOc3ccc(Br)cc32)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001437313280 1065535737 /nfs/dbraw/zinc/53/57/37/1065535737.db2.gz HVMNDPIUGIWALR-IIMDRIAPSA-N 1 0 457.412 4.825 20 0 JJADRO C[C@@H]1CN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001437320130 1065537035 /nfs/dbraw/zinc/53/70/35/1065537035.db2.gz RJVJBWGDIDQDBP-AJTZHXEGSA-N 1 0 457.659 4.970 20 0 JJADRO Cc1c2occ(CC(=O)Nc3ccc(OCCCN4CC[NH+](C)CC4)cc3)c2ccc1Cl ZINC001437385966 1065546618 /nfs/dbraw/zinc/54/66/18/1065546618.db2.gz RKKUXLGGHKSDKD-UHFFFAOYSA-N 1 0 455.986 4.592 20 0 JJADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360558963 1065548403 /nfs/dbraw/zinc/54/84/03/1065548403.db2.gz VXKUULVOTBJYDA-VXKWHMMOSA-N 1 0 488.721 4.893 20 0 JJADRO C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360559876 1065549754 /nfs/dbraw/zinc/54/97/54/1065549754.db2.gz ODPUIVCYJWDWIB-VWNXMTODSA-N 1 0 494.728 4.835 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 ZINC001360561457 1065551953 /nfs/dbraw/zinc/55/19/53/1065551953.db2.gz COBBRQRBTKQPEZ-INIZCTEOSA-N 1 0 458.393 4.589 20 0 JJADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1)[N@H+](C)Cc1ccccc1 ZINC001360564016 1065554982 /nfs/dbraw/zinc/55/49/82/1065554982.db2.gz NJTGGQBJLZYWBS-MJGOQNOKSA-N 1 0 464.441 4.592 20 0 JJADRO CC[NH+](CC)CCN(C(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001437469571 1065557181 /nfs/dbraw/zinc/55/71/81/1065557181.db2.gz XPTHRXPMYCVOBY-NQIIRXRSSA-N 1 0 453.023 4.542 20 0 JJADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(Br)o1)[N@H+](C)C1CC1 ZINC001360568540 1065560860 /nfs/dbraw/zinc/56/08/60/1065560860.db2.gz DWMXZJHUHANVHV-HNNXBMFYSA-N 1 0 492.849 4.997 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001545907292 1065562536 /nfs/dbraw/zinc/56/25/36/1065562536.db2.gz FLCRNZGPWJPIPW-SFTDATJTSA-N 1 0 468.690 4.952 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(Br)cs1)[N@H+](C)C1CC1 ZINC001360569698 1065562704 /nfs/dbraw/zinc/56/27/04/1065562704.db2.gz JHECDIQOGRQCTF-AWEZNQCLSA-N 1 0 454.482 4.810 20 0 JJADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC=C(C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360575627 1065571315 /nfs/dbraw/zinc/57/13/15/1065571315.db2.gz XKTWIVJELMAIDC-QFIPXVFZSA-N 1 0 458.654 4.967 20 0 JJADRO C[C@H](Cn1c(CC2CCCC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001360578471 1065573942 /nfs/dbraw/zinc/57/39/42/1065573942.db2.gz JJUFBOPQTGDQPZ-OXQOHEQNSA-N 1 0 466.443 4.870 20 0 JJADRO C[C@H](Cn1c(CC2CCCC2)nnc1N(Cc1cnn(C)c1)Cc1ccc(Cl)cc1)[NH+](C)C ZINC001360578845 1065574536 /nfs/dbraw/zinc/57/45/36/1065574536.db2.gz NNEVNYIOCUWORK-LJQANCHMSA-N 1 0 470.065 4.555 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001360578795 1065574545 /nfs/dbraw/zinc/57/45/45/1065574545.db2.gz LVIVXILEKKBLAD-GOSISDBHSA-N 1 0 460.047 4.582 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545907741 1065578380 /nfs/dbraw/zinc/57/83/80/1065578380.db2.gz QLQHVRICVHWCRY-VSKRKVRLSA-N 1 0 460.711 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545907738 1065578448 /nfs/dbraw/zinc/57/84/48/1065578448.db2.gz QLQHVRICVHWCRY-BHDDXSALSA-N 1 0 460.711 4.581 20 0 JJADRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360582664 1065580057 /nfs/dbraw/zinc/58/00/57/1065580057.db2.gz PYGVDLXRHKWJOL-XUZZJYLKSA-N 1 0 453.675 4.720 20 0 JJADRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360582663 1065580174 /nfs/dbraw/zinc/58/01/74/1065580174.db2.gz PYGVDLXRHKWJOL-URXFXBBRSA-N 1 0 453.675 4.720 20 0 JJADRO Cn1c(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)ccc1-c1ccc(Br)cc1 ZINC001437585474 1065581749 /nfs/dbraw/zinc/58/17/49/1065581749.db2.gz JYDYYZNFDRZRHY-HXUWFJFHSA-N 1 0 452.396 4.978 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360583926 1065583244 /nfs/dbraw/zinc/58/32/44/1065583244.db2.gz NOZLTASRVNUIGF-KKSFZXQISA-N 1 0 496.483 4.898 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1Nc1cnn(CC2CCC2)c1)[NH+](C)C ZINC001360584767 1065585560 /nfs/dbraw/zinc/58/55/60/1065585560.db2.gz ZZJBIQROWKXLDV-IBGZPJMESA-N 1 0 465.646 4.845 20 0 JJADRO C[C@@H](Cn1c(N2CCC[C@@H](C(F)(F)F)C2)nnc1C(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC001360586324 1065586649 /nfs/dbraw/zinc/58/66/49/1065586649.db2.gz DCJSYYKEHTXMMO-VQTJNVASSA-N 1 0 478.607 4.565 20 0 JJADRO C[C@H](Cn1c(N2CCC[C@@H](C(F)(F)F)C2)nnc1C(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC001360586325 1065586769 /nfs/dbraw/zinc/58/67/69/1065586769.db2.gz DCJSYYKEHTXMMO-WOJBJXKFSA-N 1 0 478.607 4.565 20 0 JJADRO C[C@@H](Cn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1C(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC001360586322 1065586811 /nfs/dbraw/zinc/58/68/11/1065586811.db2.gz DCJSYYKEHTXMMO-PMACEKPBSA-N 1 0 478.607 4.565 20 0 JJADRO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)[N@H+](C)C1CC1 ZINC001360587794 1065589721 /nfs/dbraw/zinc/58/97/21/1065589721.db2.gz PQJGUXSXHDLJFG-IRXDYDNUSA-N 1 0 464.079 4.710 20 0 JJADRO C[C@@H](Cn1c(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360587934 1065590406 /nfs/dbraw/zinc/59/04/06/1065590406.db2.gz VFSGBGCKPYUHAR-JXFKEZNVSA-N 1 0 465.564 4.655 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)CC[N@@H+]1Cc1ccccc1 ZINC001437726288 1065596355 /nfs/dbraw/zinc/59/63/55/1065596355.db2.gz JSSYDBQZRHGJPL-FQEVSTJZSA-N 1 0 451.355 4.639 20 0 JJADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001437733307 1065597019 /nfs/dbraw/zinc/59/70/19/1065597019.db2.gz ZOBDRJBAWOYLQT-XZOQPEGZSA-N 1 0 459.675 4.931 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001437732204 1065597306 /nfs/dbraw/zinc/59/73/06/1065597306.db2.gz WKWFXGWOPZTHCS-IBGGVINMSA-N 1 0 469.670 4.925 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC001360592093 1065599650 /nfs/dbraw/zinc/59/96/50/1065599650.db2.gz PIKCZXQJSPXZIQ-QHAWAJNXSA-N 1 0 476.065 4.666 20 0 JJADRO CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001437748808 1065599978 /nfs/dbraw/zinc/59/99/78/1065599978.db2.gz UCJQKNQKEBFCDF-DEOSSOPVSA-N 1 0 456.030 4.621 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C)C[NH+]1CCCC1 ZINC001360592687 1065601797 /nfs/dbraw/zinc/60/17/97/1065601797.db2.gz ZUTFCLCNBVBZNO-SQNIBIBYSA-N 1 0 478.504 4.770 20 0 JJADRO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360592927 1065602588 /nfs/dbraw/zinc/60/25/88/1065602588.db2.gz AYQRFTYRNLMHHH-UXHICEINSA-N 1 0 475.628 4.663 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593434 1065603404 /nfs/dbraw/zinc/60/34/04/1065603404.db2.gz GYPNVVOSWIQVGN-NFBKMPQASA-N 1 0 473.637 4.512 20 0 JJADRO C[C@@H](Cn1c(CC2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360594059 1065603990 /nfs/dbraw/zinc/60/39/90/1065603990.db2.gz NQRUARUWQQCJNE-OAQYLSRUSA-N 1 0 488.721 4.578 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001360593970 1065604058 /nfs/dbraw/zinc/60/40/58/1065604058.db2.gz MQEQJILDXZMWJD-XMSQKQJNSA-N 1 0 496.483 4.757 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360594283 1065604895 /nfs/dbraw/zinc/60/48/95/1065604895.db2.gz NFBNLTDUVCXBOC-HOTGVXAUSA-N 1 0 483.501 4.573 20 0 JJADRO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360594284 1065604967 /nfs/dbraw/zinc/60/49/67/1065604967.db2.gz NFBNLTDUVCXBOC-HZPDHXFCSA-N 1 0 483.501 4.573 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC001360595255 1065606717 /nfs/dbraw/zinc/60/67/17/1065606717.db2.gz YTWXHOKKHVUIRZ-OKZBNKHCSA-N 1 0 482.456 4.509 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC(C)(C)[C@H]1C)C[NH+]1CCCCC1 ZINC001360596681 1065610655 /nfs/dbraw/zinc/61/06/55/1065610655.db2.gz FBNGGWUMPYKVIJ-RTBURBONSA-N 1 0 477.600 4.672 20 0 JJADRO CC(C)c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360596801 1065611285 /nfs/dbraw/zinc/61/12/85/1065611285.db2.gz HMUAWMJJOPJEQD-YMPZKCBVSA-N 1 0 488.721 4.653 20 0 JJADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl)C[NH+]1CCCCC1 ZINC001360597121 1065612026 /nfs/dbraw/zinc/61/20/26/1065612026.db2.gz LKXRDHOFAHRRAG-HXUWFJFHSA-N 1 0 469.033 4.631 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC001360597382 1065612884 /nfs/dbraw/zinc/61/28/84/1065612884.db2.gz NZPVGLBAKPWBTA-BDTNDASRSA-N 1 0 488.721 4.954 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597361 1065612919 /nfs/dbraw/zinc/61/29/19/1065612919.db2.gz NQJFWFSSYAKVNA-QYZOEREBSA-N 1 0 477.495 4.650 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597791 1065615260 /nfs/dbraw/zinc/61/52/60/1065615260.db2.gz RMTCCEURPJORRC-QYZOEREBSA-N 1 0 460.464 4.922 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597805 1065615327 /nfs/dbraw/zinc/61/53/27/1065615327.db2.gz SANWQDDHSXNMOX-AOHZBQACSA-N 1 0 496.700 4.807 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC(C)(C)c1ccc(F)cc1 ZINC001545909799 1065615683 /nfs/dbraw/zinc/61/56/83/1065615683.db2.gz UUHCYVWYSIEAEQ-UHFFFAOYSA-N 1 0 498.691 4.768 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597806 1065616138 /nfs/dbraw/zinc/61/61/38/1065616138.db2.gz SANWQDDHSXNMOX-CQOQZXRMSA-N 1 0 496.700 4.807 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)C1)C[NH+]1CCCCC1 ZINC001360598025 1065616684 /nfs/dbraw/zinc/61/66/84/1065616684.db2.gz UQPGQYAWHZKIHD-MRXNPFEDSA-N 1 0 468.390 4.675 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)C1)C[NH+]1CCCCC1 ZINC001360598023 1065616724 /nfs/dbraw/zinc/61/67/24/1065616724.db2.gz UQPGQYAWHZKIHD-INIZCTEOSA-N 1 0 468.390 4.675 20 0 JJADRO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001360598562 1065618940 /nfs/dbraw/zinc/61/89/40/1065618940.db2.gz ZNNUUZRUJJIKIH-FQEVSTJZSA-N 1 0 453.034 4.794 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C)C[NH+]1CCCCC1 ZINC001360598685 1065618999 /nfs/dbraw/zinc/61/89/99/1065618999.db2.gz DDGZFULYMFPKSV-FGZHOGPDSA-N 1 0 470.681 4.843 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C)C[NH+]1CCCCC1 ZINC001360598684 1065619081 /nfs/dbraw/zinc/61/90/81/1065619081.db2.gz DDGZFULYMFPKSV-FCHUYYIVSA-N 1 0 470.681 4.843 20 0 JJADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360599301 1065620804 /nfs/dbraw/zinc/62/08/04/1065620804.db2.gz NJPGROTVOHLDHT-REWPJTCUSA-N 1 0 460.066 4.650 20 0 JJADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360599482 1065621430 /nfs/dbraw/zinc/62/14/30/1065621430.db2.gz QQXINRASWVRYKQ-NRFANRHFSA-N 1 0 471.665 4.914 20 0 JJADRO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(F)F)C1)C[NH+]1CCCCC1 ZINC001360602083 1065625518 /nfs/dbraw/zinc/62/55/18/1065625518.db2.gz MCTLUIRKQWAYGR-OALUTQOASA-N 1 0 465.564 4.600 20 0 JJADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360601855 1065625558 /nfs/dbraw/zinc/62/55/58/1065625558.db2.gz HZBABHMCJYZKNT-UYAOXDASSA-N 1 0 485.620 4.600 20 0 JJADRO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1)C[NH+]1CCCCC1 ZINC001360602308 1065626220 /nfs/dbraw/zinc/62/62/20/1065626220.db2.gz NLZQCHFQQFOBKQ-IBGZPJMESA-N 1 0 478.468 4.921 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CCCCC1)C[NH+]1CCOCC1 ZINC001360602491 1065627117 /nfs/dbraw/zinc/62/71/17/1065627117.db2.gz AZZVOHKDKONJAY-SFHVURJKSA-N 1 0 464.029 4.722 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1cccs1)C[NH+]1CCOCC1 ZINC001360604284 1065629596 /nfs/dbraw/zinc/62/95/96/1065629596.db2.gz OJMVWNPCGPQROH-NRFANRHFSA-N 1 0 481.710 4.951 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545912295 1065653329 /nfs/dbraw/zinc/65/33/29/1065653329.db2.gz NOVIVQLMSCNNNC-RBBKRZOGSA-N 1 0 486.730 4.590 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC001438032471 1065655755 /nfs/dbraw/zinc/65/57/55/1065655755.db2.gz KNBASNBGQOTEQP-HNNXBMFYSA-N 1 0 457.290 4.871 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2ccc(Br)s2)C1 ZINC001438033743 1065657001 /nfs/dbraw/zinc/65/70/01/1065657001.db2.gz PFFYIQNRONFILJ-CYBMUJFWSA-N 1 0 458.219 4.796 20 0 JJADRO COc1ccccc1C/C(C)=C/C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438037942 1065657815 /nfs/dbraw/zinc/65/78/15/1065657815.db2.gz ZEYWWKVRMGWZQP-PVGBUVFQSA-N 1 0 457.412 4.856 20 0 JJADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CCO1 ZINC001438058513 1065661046 /nfs/dbraw/zinc/66/10/46/1065661046.db2.gz IPVLUIATROLJKD-UGKGYDQZSA-N 1 0 451.394 4.683 20 0 JJADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC001438094154 1065669318 /nfs/dbraw/zinc/66/93/18/1065669318.db2.gz HMEPCENXHMFJQA-BFHYXJOUSA-N 1 0 468.347 4.836 20 0 JJADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H](C)C(C)(F)F)c1 ZINC001438096994 1065669938 /nfs/dbraw/zinc/66/99/38/1065669938.db2.gz UXRAAJUENOLZOU-OCCSQVGLSA-N 1 0 452.373 4.929 20 0 JJADRO Cc1ncccc1C(=O)Nc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc(Cl)c1Cl ZINC001438095903 1065670026 /nfs/dbraw/zinc/67/00/26/1065670026.db2.gz SUFFNUADVXHJGK-MRXNPFEDSA-N 1 0 451.398 4.655 20 0 JJADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@H](C)C(C)(F)F)c1 ZINC001438096991 1065670064 /nfs/dbraw/zinc/67/00/64/1065670064.db2.gz UXRAAJUENOLZOU-JSGCOSHPSA-N 1 0 452.373 4.929 20 0 JJADRO CC(F)(F)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001360627444 1065674004 /nfs/dbraw/zinc/67/40/04/1065674004.db2.gz JPVSYSQJMZTQAQ-UHFFFAOYSA-N 1 0 460.960 4.751 20 0 JJADRO CC(F)(F)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001360630329 1065678114 /nfs/dbraw/zinc/67/81/14/1065678114.db2.gz HIVXPSSDNBWLMR-UHFFFAOYSA-N 1 0 486.655 4.871 20 0 JJADRO C[C@H](N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001360631775 1065681431 /nfs/dbraw/zinc/68/14/31/1065681431.db2.gz AEXQQFQEOIYSHI-SFHVURJKSA-N 1 0 484.998 4.547 20 0 JJADRO C[C@@H](N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)CC1)C(F)(F)F ZINC001360634014 1065688291 /nfs/dbraw/zinc/68/82/91/1065688291.db2.gz DKQCLKBIRWKJKA-RTBURBONSA-N 1 0 498.663 4.838 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CCC3)n2CCCCC[NH+]2CCCC2)C1 ZINC001360636871 1065696025 /nfs/dbraw/zinc/69/60/25/1065696025.db2.gz MYWZRMVJIVWLIF-GGAORHGYSA-N 1 0 488.721 4.941 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001360638361 1065702714 /nfs/dbraw/zinc/70/27/14/1065702714.db2.gz CQKMCDASJRMAFK-AZUAARDMSA-N 1 0 488.677 4.601 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC001438263390 1065704423 /nfs/dbraw/zinc/70/44/23/1065704423.db2.gz QRGTWFFTFDPEOC-MAFBNJPCSA-N 1 0 469.670 4.827 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)COC/C=C/c2ccccc2)cc1 ZINC001438322666 1065709238 /nfs/dbraw/zinc/70/92/38/1065709238.db2.gz AVTBSVQKXKEFHS-LAZVVJCASA-N 1 0 456.586 4.509 20 0 JJADRO CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001438322656 1065709289 /nfs/dbraw/zinc/70/92/89/1065709289.db2.gz AQWGCXWDNISVCK-DMDYGQEQSA-N 1 0 462.565 4.776 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001438325340 1065710056 /nfs/dbraw/zinc/71/00/56/1065710056.db2.gz KVNNBLWRBNWGCU-WZONZLPQSA-N 1 0 451.014 4.700 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001438330509 1065710789 /nfs/dbraw/zinc/71/07/89/1065710789.db2.gz PTFDBGPBBXFSKT-APWZRJJASA-N 1 0 454.368 4.602 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360640776 1065710883 /nfs/dbraw/zinc/71/08/83/1065710883.db2.gz ZFOKNJGKBVXCOL-FQEVSTJZSA-N 1 0 490.737 4.970 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001438338472 1065712284 /nfs/dbraw/zinc/71/22/84/1065712284.db2.gz WYYBHQFNNSHASY-AGILITTLSA-N 1 0 457.659 4.734 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CCCC3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001360641339 1065713152 /nfs/dbraw/zinc/71/31/52/1065713152.db2.gz GYKHNSWFYDKCBH-URXFXBBRSA-N 1 0 496.700 4.807 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001360641673 1065714264 /nfs/dbraw/zinc/71/42/64/1065714264.db2.gz LMIGZQQOOZQAPE-LAUBAEHRSA-N 1 0 488.702 4.650 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001360645787 1065721239 /nfs/dbraw/zinc/72/12/39/1065721239.db2.gz LKGMQHBAVPVYIV-XLIONFOSSA-N 1 0 493.599 4.827 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001360646407 1065722144 /nfs/dbraw/zinc/72/21/44/1065722144.db2.gz PSTRBVKSUAEFFQ-AJFLCOCNSA-N 1 0 469.674 4.900 20 0 JJADRO C/C(=C/C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)c1ccccc1C(F)(F)F ZINC001360657820 1065727012 /nfs/dbraw/zinc/72/70/12/1065727012.db2.gz CZMNGTRLVKRFTQ-DNCJFXNASA-N 1 0 459.512 4.914 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001360727041 1065754107 /nfs/dbraw/zinc/75/41/07/1065754107.db2.gz LSUWDXJDKNIAGH-HSZRJFAPSA-N 1 0 478.424 4.673 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)CCCCCNC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001360735347 1065763438 /nfs/dbraw/zinc/76/34/38/1065763438.db2.gz PKSBZOVTDLPYOW-DHLKQENFSA-N 1 0 456.675 4.690 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H]2CCSC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360736751 1065765790 /nfs/dbraw/zinc/76/57/90/1065765790.db2.gz HAGWCZANNQZAKY-ICSRJNTNSA-N 1 0 461.651 4.621 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccc(Cl)s2)n1CC[NH+]1CCSCC1 ZINC001360736886 1065766243 /nfs/dbraw/zinc/76/62/43/1065766243.db2.gz JKRXJTMWTCVSGP-INIZCTEOSA-N 1 0 496.077 4.957 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccco2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360739667 1065771571 /nfs/dbraw/zinc/77/15/71/1065771571.db2.gz ZPKDIWXWIXVDGU-IBGZPJMESA-N 1 0 455.578 4.909 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001438988801 1065774978 /nfs/dbraw/zinc/77/49/78/1065774978.db2.gz YUKULMUEWDEGIC-UTKZUKDTSA-N 1 0 450.549 4.679 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC[N@H+]1CC=CCC1 ZINC001360742345 1065777755 /nfs/dbraw/zinc/77/77/55/1065777755.db2.gz XMRIJUFTSHTHQT-KRWDZBQOSA-N 1 0 467.511 4.598 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001360743458 1065779486 /nfs/dbraw/zinc/77/94/86/1065779486.db2.gz FJHXEKDQSVXZAP-VQTJNVASSA-N 1 0 455.578 4.874 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCSC(F)(F)F ZINC001360743658 1065779953 /nfs/dbraw/zinc/77/99/53/1065779953.db2.gz HJKHAYRBADGEDS-WMZOPIPTSA-N 1 0 487.567 4.875 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360744270 1065781180 /nfs/dbraw/zinc/78/11/80/1065781180.db2.gz QJYNYOXFINNIJI-DNVCBOLYSA-N 1 0 465.545 4.767 20 0 JJADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001439070095 1065781988 /nfs/dbraw/zinc/78/19/88/1065781988.db2.gz ZDZZCLWCMSVGSF-QZTJIDSGSA-N 1 0 480.943 4.742 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(Br)C1)[N@H+](C)C1CC1 ZINC001360745573 1065785285 /nfs/dbraw/zinc/78/52/85/1065785285.db2.gz MVXYYGCXLJSGEY-CVEARBPZSA-N 1 0 478.410 4.529 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001360746137 1065788056 /nfs/dbraw/zinc/78/80/56/1065788056.db2.gz UBQKBCIGPHDHRU-OFNKIYASSA-N 1 0 473.637 4.827 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCC(F)(F)F ZINC001360746735 1065789178 /nfs/dbraw/zinc/78/91/78/1065789178.db2.gz YJZRRWMEJGWEFQ-MJGOQNOKSA-N 1 0 469.527 4.964 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCCCS1 ZINC001360748621 1065790423 /nfs/dbraw/zinc/79/04/23/1065790423.db2.gz CPZMKMGPKCKVMF-RXVVDRJESA-N 1 0 461.651 4.763 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(Cl)nc1 ZINC001360748702 1065791061 /nfs/dbraw/zinc/79/10/61/1065791061.db2.gz DUFPZIQRHXRAAB-QGZVFWFLSA-N 1 0 472.996 4.574 20 0 JJADRO C[C@H](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCCCC1 ZINC001360749482 1065792000 /nfs/dbraw/zinc/79/20/00/1065792000.db2.gz DWIJRSFXONFWHQ-HKBOAZHASA-N 1 0 473.637 4.825 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360753822 1065801345 /nfs/dbraw/zinc/80/13/45/1065801345.db2.gz JKSPKZXFICVNGE-SJORKVTESA-N 1 0 461.035 4.649 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H]2CCOC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360753904 1065801456 /nfs/dbraw/zinc/80/14/56/1065801456.db2.gz KZKLBAJWVZZGHL-ICSRJNTNSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001360754322 1065803762 /nfs/dbraw/zinc/80/37/62/1065803762.db2.gz RTSCQMWYHDBALP-LJQANCHMSA-N 1 0 476.065 4.687 20 0 JJADRO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1 ZINC001439266181 1065805713 /nfs/dbraw/zinc/80/57/13/1065805713.db2.gz XYBPOLYTUFMLKH-HXUWFJFHSA-N 1 0 453.574 4.541 20 0 JJADRO CN(c1nc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cs1)c1ccccc1 ZINC001439272773 1065809048 /nfs/dbraw/zinc/80/90/48/1065809048.db2.gz KTUXQQQSXLZEDQ-RTBURBONSA-N 1 0 460.525 4.704 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C)CC2)n1CCCC[NH+]1CCOCC1 ZINC001360755658 1065809706 /nfs/dbraw/zinc/80/97/06/1065809706.db2.gz HNQYDPLDDDBTIL-HXUWFJFHSA-N 1 0 476.065 4.810 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001360756204 1065813668 /nfs/dbraw/zinc/81/36/68/1065813668.db2.gz QGYNDFGCLVWIFU-FPOVZHCZSA-N 1 0 490.092 4.791 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[NH+]1CCCCC1 ZINC001360756278 1065814484 /nfs/dbraw/zinc/81/44/84/1065814484.db2.gz RICJAYWJZJTCDJ-LJQANCHMSA-N 1 0 476.065 4.951 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCCCO ZINC001360757419 1065818652 /nfs/dbraw/zinc/81/86/52/1065818652.db2.gz AYBCWAFEUZRFPX-IBGZPJMESA-N 1 0 464.054 4.545 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC=C(Br)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360758089 1065822792 /nfs/dbraw/zinc/82/27/92/1065822792.db2.gz MNPBLPRFBJKLKA-QRWLVFNGSA-N 1 0 494.865 4.901 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC=C(Br)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360758090 1065822838 /nfs/dbraw/zinc/82/28/38/1065822838.db2.gz MNPBLPRFBJKLKA-YWZLYKJASA-N 1 0 494.865 4.901 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2=CCCOC2)CC1 ZINC001360758355 1065824016 /nfs/dbraw/zinc/82/40/16/1065824016.db2.gz QXEPNANAJMORDL-FQEVSTJZSA-N 1 0 488.076 4.975 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CC(F)(F)F ZINC001360758358 1065824146 /nfs/dbraw/zinc/82/41/46/1065824146.db2.gz QXFNBYMGNHLOLB-IAGOWNOFSA-N 1 0 471.955 4.946 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2CCCCO2)CC1 ZINC001360759886 1065829810 /nfs/dbraw/zinc/82/98/10/1065829810.db2.gz DCKSLGHWNSGYBG-PZJWPPBQSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ncccc1N(C)C ZINC001360759995 1065830451 /nfs/dbraw/zinc/83/04/51/1065830451.db2.gz FPOMCLJDDXIFTO-LJQANCHMSA-N 1 0 498.075 4.501 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCc1c(C)cccc1C ZINC001545922912 1065834579 /nfs/dbraw/zinc/83/45/79/1065834579.db2.gz XSMNHIFPLSDDDH-UHFFFAOYSA-N 1 0 480.701 4.511 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCCC(F)(F)F ZINC001360760943 1065835371 /nfs/dbraw/zinc/83/53/71/1065835371.db2.gz VNXMXYVFKYEYMD-MRXNPFEDSA-N 1 0 471.955 4.946 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCCc2c1cnn2C)C(C)C ZINC001360762696 1065840032 /nfs/dbraw/zinc/84/00/32/1065840032.db2.gz KDSOYWOWPRMKSW-OFNKIYASSA-N 1 0 497.663 4.923 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360763533 1065843499 /nfs/dbraw/zinc/84/34/99/1065843499.db2.gz XSLOQZIHBXEWOG-PLACYPQZSA-N 1 0 476.065 4.806 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360764553 1065845550 /nfs/dbraw/zinc/84/55/50/1065845550.db2.gz BUXPBWXAVGVYTN-GCJKJVERSA-N 1 0 480.613 4.953 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360764555 1065845613 /nfs/dbraw/zinc/84/56/13/1065845613.db2.gz BUXPBWXAVGVYTN-XMSQKQJNSA-N 1 0 480.613 4.953 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360764796 1065845997 /nfs/dbraw/zinc/84/59/97/1065845997.db2.gz FMNZOZWZHTVPID-IRFCIJBXSA-N 1 0 487.645 4.784 20 0 JJADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601969 1065846940 /nfs/dbraw/zinc/84/69/40/1065846940.db2.gz WHVBABQOCUBHMY-FGZHOGPDSA-N 1 0 453.384 4.524 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2csc(Br)c2)n1C[C@H](C)[NH+](C)C ZINC001360765635 1065851449 /nfs/dbraw/zinc/85/14/49/1065851449.db2.gz VWSPZKBPBXIRPV-LSDHHAIUSA-N 1 0 496.450 4.968 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001360769011 1065859589 /nfs/dbraw/zinc/85/95/89/1065859589.db2.gz BYNWGXSBGFLQAB-UYAOXDASSA-N 1 0 495.590 4.538 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC[NH+]1CCCCCC1 ZINC001360771353 1065868200 /nfs/dbraw/zinc/86/82/00/1065868200.db2.gz ADHHGLRUYOZVKM-MOPGFXCFSA-N 1 0 465.564 4.915 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC[NH+]1CCCCCC1 ZINC001360771354 1065868299 /nfs/dbraw/zinc/86/82/99/1065868299.db2.gz ADHHGLRUYOZVKM-OALUTQOASA-N 1 0 465.564 4.915 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCCCCC2)CC1 ZINC001360773186 1065871200 /nfs/dbraw/zinc/87/12/00/1065871200.db2.gz HHKHPIWMCKDGTP-NRFANRHFSA-N 1 0 473.637 4.563 20 0 JJADRO C[C@H]1[C@@H](C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001439758851 1065871923 /nfs/dbraw/zinc/87/19/23/1065871923.db2.gz VRVXSBSPHOPYTP-HTBDAHHQSA-N 1 0 477.649 4.806 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC[NH+]1CCCCC1 ZINC001360774732 1065874497 /nfs/dbraw/zinc/87/44/97/1065874497.db2.gz OZQRUBSCGXQOBM-HXUWFJFHSA-N 1 0 473.637 4.827 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001360778205 1065883810 /nfs/dbraw/zinc/88/38/10/1065883810.db2.gz LTLNWAZMNPQCGL-RBUKOAKNSA-N 1 0 461.651 4.763 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001360778203 1065883872 /nfs/dbraw/zinc/88/38/72/1065883872.db2.gz LTLNWAZMNPQCGL-MOPGFXCFSA-N 1 0 461.651 4.763 20 0 JJADRO Cc1nn(C)c(Cl)c1COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001360787607 1065900377 /nfs/dbraw/zinc/90/03/77/1065900377.db2.gz YBWGJPBNDHODKK-LEWJYISDSA-N 1 0 458.389 4.994 20 0 JJADRO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001440048068 1065906394 /nfs/dbraw/zinc/90/63/94/1065906394.db2.gz RZEPJQFGWIOPLN-HVWQDESWSA-N 1 0 477.649 4.744 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NC(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)c1 ZINC001440090547 1065910653 /nfs/dbraw/zinc/91/06/53/1065910653.db2.gz MGCGSILOIBYPRW-UHFFFAOYSA-N 1 0 450.558 4.781 20 0 JJADRO CC1(C)C[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001360801559 1065912112 /nfs/dbraw/zinc/91/21/12/1065912112.db2.gz HJYHMSKKWHBTKD-QGZVFWFLSA-N 1 0 485.982 4.736 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCCCCC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360808049 1065920039 /nfs/dbraw/zinc/92/00/39/1065920039.db2.gz DKJPDYFNIDOLBH-QFIPXVFZSA-N 1 0 488.721 4.895 20 0 JJADRO CC(C)(C)c1nnc(N(Cc2ccccc2)C[C@H]2CCCO2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360808525 1065921395 /nfs/dbraw/zinc/92/13/95/1065921395.db2.gz OPELFMNBTWIGSV-HSZRJFAPSA-N 1 0 453.675 4.883 20 0 JJADRO CC(C)(C)c1nnc(N2CC[C@@H](COCc3ccccc3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360808703 1065922231 /nfs/dbraw/zinc/92/22/31/1065922231.db2.gz RQLUMXIMOVDRKS-HSZRJFAPSA-N 1 0 453.675 4.741 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2cccc(NCc3nc(C)cs3)c2)[NH+]2CCCC2)c1 ZINC001440365415 1065933175 /nfs/dbraw/zinc/93/31/75/1065933175.db2.gz ABFYUNHDJNFXLY-HSZRJFAPSA-N 1 0 450.608 4.639 20 0 JJADRO C[NH+](C)C1(CNC(=O)c2cc3cc(Br)cc(Br)c3o2)CCCCC1 ZINC001440377681 1065934676 /nfs/dbraw/zinc/93/46/76/1065934676.db2.gz YBEQXFNHVCDDQP-UHFFFAOYSA-N 1 0 458.194 4.952 20 0 JJADRO CC(C)C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)N(C)C(=O)OC(C)(C)C ZINC001440382254 1065935383 /nfs/dbraw/zinc/93/53/83/1065935383.db2.gz CZCRIAMTIAYYFC-VQTJNVASSA-N 1 0 451.677 4.919 20 0 JJADRO CC1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CCCCC[NH+]2CCCC2)CCO1 ZINC001360821702 1065935780 /nfs/dbraw/zinc/93/57/80/1065935780.db2.gz GDGMAUIEPMJPJD-UHFFFAOYSA-N 1 0 494.453 4.728 20 0 JJADRO CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001440385035 1065935933 /nfs/dbraw/zinc/93/59/33/1065935933.db2.gz GLRZZIPUSOAXJG-NRFANRHFSA-N 1 0 453.608 4.538 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)Cc1sc(SC(F)(F)F)nc1C)[NH+]1CCCC1 ZINC001440386876 1065936684 /nfs/dbraw/zinc/93/66/84/1065936684.db2.gz KCGIVOUBAVZGTO-OAHLLOKOSA-N 1 0 459.559 4.568 20 0 JJADRO Cc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001440392309 1065937342 /nfs/dbraw/zinc/93/73/42/1065937342.db2.gz YIZOZVNXVPQZBJ-UHFFFAOYSA-N 1 0 457.983 4.763 20 0 JJADRO COc1ccc(CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1OC ZINC001440510400 1065945916 /nfs/dbraw/zinc/94/59/16/1065945916.db2.gz MECFLBZMTOEJMW-FGZHOGPDSA-N 1 0 450.604 4.640 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1cccs1 ZINC001440528636 1065947885 /nfs/dbraw/zinc/94/78/85/1065947885.db2.gz HFOXGSGXWZRHSD-TZIWHRDSSA-N 1 0 457.640 4.725 20 0 JJADRO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001440554784 1065949136 /nfs/dbraw/zinc/94/91/36/1065949136.db2.gz HAPMTSBTWORFKO-BJKOFHAPSA-N 1 0 453.508 4.975 20 0 JJADRO CC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)[NH+](CC)CC ZINC001440562242 1065949641 /nfs/dbraw/zinc/94/96/41/1065949641.db2.gz CVRTVZYWBDXDDJ-SFHVURJKSA-N 1 0 458.411 4.853 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(C)CCCO2)CC1 ZINC001360844210 1065952834 /nfs/dbraw/zinc/95/28/34/1065952834.db2.gz UCTMFTKFOLJQJN-HSZRJFAPSA-N 1 0 482.456 4.654 20 0 JJADRO O=C(NCCC[NH+]1CCCC1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001440647537 1065958030 /nfs/dbraw/zinc/95/80/30/1065958030.db2.gz BLOSMLODZOSYPC-UHFFFAOYSA-N 1 0 453.384 4.518 20 0 JJADRO Cc1sc(C)c(Cn2c(-c3ccc[nH]3)nnc2N2CCC([NH2+]C(C)C)CC2)c1Br ZINC001360849380 1065959475 /nfs/dbraw/zinc/95/94/75/1065959475.db2.gz SCLFBWQROBJJNJ-UHFFFAOYSA-N 1 0 477.476 4.729 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(Br)cc2)o1)Cc1ccccc1 ZINC001440665641 1065961014 /nfs/dbraw/zinc/96/10/14/1065961014.db2.gz IKQZVHPKJMFYJQ-IBGZPJMESA-N 1 0 457.368 4.524 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)c1cccc(F)c1 ZINC001440673725 1065961726 /nfs/dbraw/zinc/96/17/26/1065961726.db2.gz IFSABSYQOUMWEO-WZONZLPQSA-N 1 0 455.574 4.864 20 0 JJADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c(F)c(F)c(Br)c(F)c1F ZINC001440675611 1065962497 /nfs/dbraw/zinc/96/24/97/1065962497.db2.gz LHKKQFCEOWSOMG-VIFPVBQESA-N 1 0 451.283 4.634 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3cn(C)c4ccccc34)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360851107 1065963157 /nfs/dbraw/zinc/96/31/57/1065963157.db2.gz BATGBNGJESHZKE-UHFFFAOYSA-N 1 0 485.474 4.904 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001360851100 1065963362 /nfs/dbraw/zinc/96/33/62/1065963362.db2.gz AQGHMPLPDOXHAO-ROUUACIJSA-N 1 0 475.479 4.910 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001440681089 1065964933 /nfs/dbraw/zinc/96/49/33/1065964933.db2.gz PKCKYMSZIKFKSM-FCHUYYIVSA-N 1 0 464.050 4.894 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001360852006 1065966868 /nfs/dbraw/zinc/96/68/68/1065966868.db2.gz VDHNYJWLDORBSC-UHFFFAOYSA-N 1 0 479.854 4.747 20 0 JJADRO Cc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001360853150 1065968565 /nfs/dbraw/zinc/96/85/65/1065968565.db2.gz FKHMJQKVLMUHDH-LJQANCHMSA-N 1 0 473.463 4.648 20 0 JJADRO Cc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001360853235 1065968939 /nfs/dbraw/zinc/96/89/39/1065968939.db2.gz HHKQZFFBFFWREU-FQEVSTJZSA-N 1 0 473.463 4.648 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360854461 1065973392 /nfs/dbraw/zinc/97/33/92/1065973392.db2.gz ZSYYBYOATUHRSV-UYAOXDASSA-N 1 0 466.468 4.663 20 0 JJADRO Cc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360854476 1065974090 /nfs/dbraw/zinc/97/40/90/1065974090.db2.gz WUNVMICMCNTHHL-LJQANCHMSA-N 1 0 458.448 4.541 20 0 JJADRO Cc1cccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001360858029 1065976833 /nfs/dbraw/zinc/97/68/33/1065976833.db2.gz WAKQGPAZTOQDLF-IBGZPJMESA-N 1 0 474.447 4.529 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCCC[C@H]2C)c1C ZINC001360862106 1065979889 /nfs/dbraw/zinc/97/98/89/1065979889.db2.gz FTRSJZCWJUYCFM-JOCHJYFZSA-N 1 0 489.668 4.686 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1C ZINC001360862284 1065980298 /nfs/dbraw/zinc/98/02/98/1065980298.db2.gz LNVIGPUOEHPNGC-NGOKVRLYSA-N 1 0 489.668 4.542 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)c1C ZINC001360862428 1065980633 /nfs/dbraw/zinc/98/06/33/1065980633.db2.gz QNEGHFFBDUXYGA-HXUWFJFHSA-N 1 0 454.663 4.532 20 0 JJADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@H](C)O1 ZINC001440830339 1065982362 /nfs/dbraw/zinc/98/23/62/1065982362.db2.gz TVEGAAOFNPXZRN-HYFFOGBASA-N 1 0 451.394 4.729 20 0 JJADRO Cc1ccc(C2(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CCCCC2)c(Br)c1 ZINC001440830483 1065982568 /nfs/dbraw/zinc/98/25/68/1065982568.db2.gz URTHZVDLGLHSNG-KDURUIRLSA-N 1 0 451.449 4.575 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCC[N@H+]2CCCC[C@H]2C)c1C ZINC001360864779 1065983251 /nfs/dbraw/zinc/98/32/51/1065983251.db2.gz IHJJGCMTMUSQJW-RDGATRHJSA-N 1 0 496.700 4.866 20 0 JJADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C(=O)NCc4cccc(C)c4)cc3)CC2)cc1 ZINC001440862638 1065984319 /nfs/dbraw/zinc/98/43/19/1065984319.db2.gz CNOVEMMFEDEFMT-UHFFFAOYSA-N 1 0 455.602 4.582 20 0 JJADRO CCC(CC)(C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC001440870224 1065986119 /nfs/dbraw/zinc/98/61/19/1065986119.db2.gz GFNDKFQYWPHEQU-UHFFFAOYSA-N 1 0 454.611 4.505 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)nc(-c2ccco2)nc1SC)c1cccc(OC)c1 ZINC001440872626 1065987080 /nfs/dbraw/zinc/98/70/80/1065987080.db2.gz CYNKGLYODOXOBX-IBGZPJMESA-N 1 0 454.596 4.588 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)c1cccc(OC)c1 ZINC001440876370 1065987582 /nfs/dbraw/zinc/98/75/82/1065987582.db2.gz JVNRLIIVVSOHHS-ZDXQCDESSA-N 1 0 459.428 4.935 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1cccc(OC)c1 ZINC001440884807 1065989650 /nfs/dbraw/zinc/98/96/50/1065989650.db2.gz YECVSLWCRCTMGT-QFIPXVFZSA-N 1 0 455.505 4.974 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccco3)n2C[C@@H](C)C[NH+]2CCCC2)c1C ZINC001360868625 1065992878 /nfs/dbraw/zinc/99/28/78/1065992878.db2.gz JBQHJXIPOMJION-UGKGYDQZSA-N 1 0 451.615 4.996 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)CC1=O ZINC001440911677 1065993397 /nfs/dbraw/zinc/99/33/97/1065993397.db2.gz DAVFBJMFNDWWJB-IFMALSPDSA-N 1 0 451.636 4.726 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)CC1=O ZINC001440911692 1065993473 /nfs/dbraw/zinc/99/34/73/1065993473.db2.gz DAVFBJMFNDWWJB-UNMCSNQZSA-N 1 0 451.636 4.726 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360868830 1065994351 /nfs/dbraw/zinc/99/43/51/1065994351.db2.gz KLPDHZVOTZDAJG-XZOQPEGZSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)c1C ZINC001360868925 1065994932 /nfs/dbraw/zinc/99/49/32/1065994932.db2.gz CGLDXYOREJFFGX-VWNXMTODSA-N 1 0 499.700 4.540 20 0 JJADRO CCOc1cc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440954323 1065996788 /nfs/dbraw/zinc/99/67/88/1065996788.db2.gz PFNLWEOFWSGXFD-CEXWTWQISA-N 1 0 453.583 4.936 20 0 JJADRO CCOc1cc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440954330 1065996891 /nfs/dbraw/zinc/99/68/91/1065996891.db2.gz PFNLWEOFWSGXFD-OTWHNJEPSA-N 1 0 453.583 4.936 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001360869783 1065999101 /nfs/dbraw/zinc/99/91/01/1065999101.db2.gz JZIOXOGHEKWZEE-YFVAEKQCSA-N 1 0 483.579 4.531 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CCC3CC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC001360869876 1065999823 /nfs/dbraw/zinc/99/98/23/1065999823.db2.gz RLFCFQXPBVYUKM-JOCHJYFZSA-N 1 0 469.674 4.507 20 0 JJADRO CC(C)c1nc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)nn1-c1c(Cl)cccc1Cl ZINC001441005302 1065999791 /nfs/dbraw/zinc/99/97/91/1065999791.db2.gz LWPVIVLRJSJQAK-MRXNPFEDSA-N 1 0 452.411 4.792 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CCCC3)n2CC[NH+]2CCSCC2)c1C ZINC001360869905 1066000172 /nfs/dbraw/zinc/00/01/72/1066000172.db2.gz RWMLLYSPBKTQLE-OAQYLSRUSA-N 1 0 457.688 4.710 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccccn3)n2CCC[NH+]2CCCCC2)c1C ZINC001360870124 1066001087 /nfs/dbraw/zinc/00/10/87/1066001087.db2.gz UZZKWDAVSIDKNS-HSZRJFAPSA-N 1 0 462.642 4.942 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccccn3)n2CCC[NH+]2CCCCC2)c1C ZINC001360870125 1066001187 /nfs/dbraw/zinc/00/11/87/1066001187.db2.gz UZZKWDAVSIDKNS-QHCPKHFHSA-N 1 0 462.642 4.942 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(C)C)C3)n2CCCC[NH+]2CCOCC2)c1C ZINC001360870222 1066001476 /nfs/dbraw/zinc/00/14/76/1066001476.db2.gz NPXRODRCCSQVEX-RPWUZVMVSA-N 1 0 469.674 4.630 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCC[NH+]2CCC(O)CC2)c1C ZINC001360870391 1066002006 /nfs/dbraw/zinc/00/20/06/1066002006.db2.gz OUEPTSNFQOLUIT-XZOQPEGZSA-N 1 0 483.701 4.754 20 0 JJADRO CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001441062079 1066004662 /nfs/dbraw/zinc/00/46/62/1066004662.db2.gz RTUZOUWCBXGEIX-CYFREDJKSA-N 1 0 454.590 4.520 20 0 JJADRO CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001441062089 1066005251 /nfs/dbraw/zinc/00/52/51/1066005251.db2.gz RTUZOUWCBXGEIX-YADARESESA-N 1 0 454.590 4.520 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545937958 1066005594 /nfs/dbraw/zinc/00/55/94/1066005594.db2.gz FZSCLZFDCOMYKX-VWPQPMDRSA-N 1 0 492.778 4.531 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCCC3)n2CCC[NH+]2CCC(O)CC2)c1C ZINC001360873159 1066008055 /nfs/dbraw/zinc/00/80/55/1066008055.db2.gz CMRATYCYRGEEAI-HSZRJFAPSA-N 1 0 469.674 4.652 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1C ZINC001360873971 1066011230 /nfs/dbraw/zinc/01/12/30/1066011230.db2.gz IYLUDAMJTIMILT-GPUOULLFSA-N 1 0 483.701 4.898 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC(C)(C)O)c1C ZINC001360874192 1066011797 /nfs/dbraw/zinc/01/17/97/1066011797.db2.gz KOAWRULKOVHSJP-BJKOFHAPSA-N 1 0 483.701 4.754 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCCC3)n2CC2([NH+](C)C)CCOCC2)c1C ZINC001360874229 1066012732 /nfs/dbraw/zinc/01/27/32/1066012732.db2.gz LCYCQUSIMSJIJN-QHCPKHFHSA-N 1 0 469.674 4.916 20 0 JJADRO COc1ccc(C(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c2ccc(OC)cc2)cc1 ZINC001441186041 1066013058 /nfs/dbraw/zinc/01/30/58/1066013058.db2.gz BXSVBJBHTHEGLI-VWLOTQADSA-N 1 0 458.602 4.864 20 0 JJADRO CCc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001441225340 1066016863 /nfs/dbraw/zinc/01/68/63/1066016863.db2.gz LINZFFSKDDXUDO-QGZVFWFLSA-N 1 0 458.393 4.531 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC(F)(F)F)c1C ZINC001360875416 1066017915 /nfs/dbraw/zinc/01/79/15/1066017915.db2.gz ZNORTDXSZNBJLP-MOPGFXCFSA-N 1 0 451.537 4.662 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCOC(C)C)c1C ZINC001360875501 1066018297 /nfs/dbraw/zinc/01/82/97/1066018297.db2.gz UFQTURJNKKKTCY-XZOQPEGZSA-N 1 0 455.647 4.525 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001441245078 1066019727 /nfs/dbraw/zinc/01/97/27/1066019727.db2.gz VFFOTGIDCPVJBT-SMIHKQSGSA-N 1 0 455.643 4.857 20 0 JJADRO COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001441247039 1066019976 /nfs/dbraw/zinc/01/99/76/1066019976.db2.gz AGKMUKMGKPMTLZ-HSZRJFAPSA-N 1 0 453.583 4.886 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C4CCCC4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360876800 1066020966 /nfs/dbraw/zinc/02/09/66/1066020966.db2.gz BKYFLCQHKZGPKA-AMGIVPHBSA-N 1 0 469.674 4.507 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCOc2ccc(Cl)cn2)c1C ZINC001360877429 1066022956 /nfs/dbraw/zinc/02/29/56/1066022956.db2.gz LJYJXAKMGYKNAH-NRFANRHFSA-N 1 0 499.059 4.693 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)CC1 ZINC001441302375 1066023919 /nfs/dbraw/zinc/02/39/19/1066023919.db2.gz AJGNKFPIVYTKLN-UHFFFAOYSA-N 1 0 450.410 4.929 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CC(F)(F)F)c1C ZINC001360877676 1066024050 /nfs/dbraw/zinc/02/40/50/1066024050.db2.gz NNSLTELOCNOOIJ-QFBILLFUSA-N 1 0 465.564 4.908 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3csc(Nc4cc(F)cc(F)c4)n3)cc2)CC1 ZINC001441307714 1066024136 /nfs/dbraw/zinc/02/41/36/1066024136.db2.gz HCMLDYACZUGJFJ-UHFFFAOYSA-N 1 0 457.550 4.555 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)C(F)(F)c1ccccc1F ZINC001441311448 1066024910 /nfs/dbraw/zinc/02/49/10/1066024910.db2.gz LKLPGTRECHLRSE-UHFFFAOYSA-N 1 0 453.508 4.556 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCCCCO)c1C ZINC001360878263 1066025518 /nfs/dbraw/zinc/02/55/18/1066025518.db2.gz STNGJIHCCUTDIT-JOCHJYFZSA-N 1 0 457.663 4.508 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2CCC[N@H+](C)C2CCCCC2)c1C ZINC001360878600 1066026537 /nfs/dbraw/zinc/02/65/37/1066026537.db2.gz WOTUIWVHAMYHOC-QHCPKHFHSA-N 1 0 469.674 4.916 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC001441329470 1066029332 /nfs/dbraw/zinc/02/93/32/1066029332.db2.gz WYFOIXLUVQAPML-FCHUYYIVSA-N 1 0 458.002 4.859 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC001441329476 1066029367 /nfs/dbraw/zinc/02/93/67/1066029367.db2.gz WYFOIXLUVQAPML-FGZHOGPDSA-N 1 0 458.002 4.859 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC[C@@H]3C)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360879878 1066031566 /nfs/dbraw/zinc/03/15/66/1066031566.db2.gz RHWPRBBMZJUVRU-UNMCSNQZSA-N 1 0 455.647 4.525 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)C1 ZINC001441355476 1066033230 /nfs/dbraw/zinc/03/32/30/1066033230.db2.gz NKLOJKCQADBFLU-GKVSMKOHSA-N 1 0 457.977 4.911 20 0 JJADRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)O2 ZINC001441358282 1066033561 /nfs/dbraw/zinc/03/35/61/1066033561.db2.gz SQSODEUGEDRLRU-JMQGSBJISA-N 1 0 450.623 4.949 20 0 JJADRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(Sc4ccc(Cl)cc4)o3)cc2)CC1 ZINC001441365825 1066034974 /nfs/dbraw/zinc/03/49/74/1066034974.db2.gz LETJFVQATONPKB-UHFFFAOYSA-N 1 0 456.011 4.762 20 0 JJADRO CC1=C(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001360882824 1066036241 /nfs/dbraw/zinc/03/62/41/1066036241.db2.gz AIHQAHAZGMMSNA-SANMLTNESA-N 1 0 459.679 4.520 20 0 JJADRO CC1=C(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001360883335 1066036954 /nfs/dbraw/zinc/03/69/54/1066036954.db2.gz PDVCGLQIPXLXJS-OAQYLSRUSA-N 1 0 485.076 4.673 20 0 JJADRO CC1=C(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001360883744 1066037955 /nfs/dbraw/zinc/03/79/55/1066037955.db2.gz XSENRHDLLRARIJ-MHZLTWQESA-N 1 0 473.706 4.623 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)C1 ZINC001441457736 1066042020 /nfs/dbraw/zinc/04/20/20/1066042020.db2.gz BMIXVGFTQJMDNM-RPHTVSPISA-N 1 0 453.593 4.880 20 0 JJADRO C[N@H+](CC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CCC1 ZINC001441462978 1066042996 /nfs/dbraw/zinc/04/29/96/1066042996.db2.gz HJTCDGLGUWSJDF-FQEVSTJZSA-N 1 0 452.451 4.755 20 0 JJADRO C[NH+]1CCN(c2cc(CNC(=O)c3cc(Cl)ccc3Sc3ccccc3)ccn2)CC1 ZINC001441462729 1066043144 /nfs/dbraw/zinc/04/31/44/1066043144.db2.gz GTAQBXBSSUXPIN-UHFFFAOYSA-N 1 0 453.011 4.568 20 0 JJADRO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001360891895 1066043348 /nfs/dbraw/zinc/04/33/48/1066043348.db2.gz FYVXOVMHDHUSSR-JOCHJYFZSA-N 1 0 451.640 4.811 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)N2CCc3sccc3C2)cc1 ZINC001441465617 1066043466 /nfs/dbraw/zinc/04/34/66/1066043466.db2.gz ITEWUEQPUPICKR-JOCHJYFZSA-N 1 0 457.709 4.950 20 0 JJADRO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001360892149 1066043946 /nfs/dbraw/zinc/04/39/46/1066043946.db2.gz NDDWPPAOPJNLMA-KDYSTLNUSA-N 1 0 451.659 4.957 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC001441469799 1066044007 /nfs/dbraw/zinc/04/40/07/1066044007.db2.gz XKNGOLGLWZUOBQ-VNHKHXMHSA-N 1 0 457.659 4.720 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC001441472538 1066044434 /nfs/dbraw/zinc/04/44/34/1066044434.db2.gz YJLJETOBTQZVII-WOJBJXKFSA-N 1 0 456.030 4.644 20 0 JJADRO CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001360892711 1066044728 /nfs/dbraw/zinc/04/47/28/1066044728.db2.gz JKCMXHLSJPDCBW-UHFFFAOYSA-N 1 0 469.699 4.750 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cnn4cccc(Br)c34)cc2)C1 ZINC001441475874 1066044964 /nfs/dbraw/zinc/04/49/64/1066044964.db2.gz BBTHQXBQGPGDGG-CALCHBBNSA-N 1 0 455.400 4.505 20 0 JJADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001441493210 1066046392 /nfs/dbraw/zinc/04/63/92/1066046392.db2.gz KWWSSBIGRUTJMH-UHFFFAOYSA-N 1 0 454.621 4.539 20 0 JJADRO COC(=O)c1ccoc1CSc1ccccc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001441502212 1066046907 /nfs/dbraw/zinc/04/69/07/1066046907.db2.gz VCWFXSDSSABKQK-RTBURBONSA-N 1 0 458.624 4.846 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001441512793 1066047788 /nfs/dbraw/zinc/04/77/88/1066047788.db2.gz POLBZPHFVNAMKZ-VRUMLPLGSA-N 1 0 452.639 4.809 20 0 JJADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001441518816 1066047995 /nfs/dbraw/zinc/04/79/95/1066047995.db2.gz CFVYUJZIZNOKMX-PTUXOGIPSA-N 1 0 478.077 4.919 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001545942655 1066048369 /nfs/dbraw/zinc/04/83/69/1066048369.db2.gz BQOPPNZUUFUNEI-AGILITTLSA-N 1 0 498.691 4.649 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC001441593872 1066052396 /nfs/dbraw/zinc/05/23/96/1066052396.db2.gz VILBWIKKFUYVNS-UHFFFAOYSA-N 1 0 455.558 4.984 20 0 JJADRO Cc1nc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)sc1C ZINC001360901542 1066055117 /nfs/dbraw/zinc/05/51/17/1066055117.db2.gz UKOZAFCLKNMIEI-KRWDZBQOSA-N 1 0 472.634 4.599 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001441623020 1066055587 /nfs/dbraw/zinc/05/55/87/1066055587.db2.gz LSXXHOAGOCHSHT-UHFFFAOYSA-N 1 0 457.640 4.813 20 0 JJADRO Cc1nc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[NH+](C(C)C)CC2)sc1C ZINC001360903410 1066057103 /nfs/dbraw/zinc/05/71/03/1066057103.db2.gz YUKGZAJCQIMHNM-UHFFFAOYSA-N 1 0 452.672 4.895 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1 ZINC001545943568 1066057715 /nfs/dbraw/zinc/05/77/15/1066057715.db2.gz HYBJEYBOUMONKT-QRVBRYPASA-N 1 0 459.612 4.572 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H]2CCOC2)n1CC[NH+](C(C)C)C(C)C ZINC001360907288 1066061813 /nfs/dbraw/zinc/06/18/13/1066061813.db2.gz AUTVTFLCHFRFMJ-OAQYLSRUSA-N 1 0 468.671 4.721 20 0 JJADRO Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC001441709268 1066063364 /nfs/dbraw/zinc/06/33/64/1066063364.db2.gz CTAJBNIOKQNHAF-UHFFFAOYSA-N 1 0 459.472 4.740 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(F)(F)F)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001360908413 1066064162 /nfs/dbraw/zinc/06/41/62/1066064162.db2.gz KBKJGOFQJZENSF-CQSZACIVSA-N 1 0 464.561 4.858 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H]2CCOC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001360908996 1066064750 /nfs/dbraw/zinc/06/47/50/1066064750.db2.gz UQUTWYBLQMPKBO-IFMALSPDSA-N 1 0 482.698 4.826 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@@H](C)C1 ZINC001360913831 1066070370 /nfs/dbraw/zinc/07/03/70/1066070370.db2.gz KDTVIPOSRKRAKB-HRAATJIYSA-N 1 0 458.400 4.504 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc(F)cc1 ZINC001441827917 1066074397 /nfs/dbraw/zinc/07/43/97/1066074397.db2.gz XMORCROLDDZAPH-FQEVSTJZSA-N 1 0 458.331 4.808 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)[NH+]1CCCCC1 ZINC001441877768 1066076263 /nfs/dbraw/zinc/07/62/63/1066076263.db2.gz AGYDPWRSQOHRTQ-DEOSSOPVSA-N 1 0 451.611 4.945 20 0 JJADRO C[C@@H](CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C[NH+]1CCCCC1 ZINC001441912361 1066080386 /nfs/dbraw/zinc/08/03/86/1066080386.db2.gz IQKFKPRAGNXJNN-IBGZPJMESA-N 1 0 455.002 4.507 20 0 JJADRO CC[N@@H+]1CC[C@H](CNC(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)C1 ZINC001441957175 1066082982 /nfs/dbraw/zinc/08/29/82/1066082982.db2.gz MDAMGZXCZOMKRL-QGZVFWFLSA-N 1 0 454.412 4.988 20 0 JJADRO Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001360930996 1066087688 /nfs/dbraw/zinc/08/76/88/1066087688.db2.gz YBOQMQSLRMDXRR-LJQANCHMSA-N 1 0 472.634 4.690 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360931073 1066088049 /nfs/dbraw/zinc/08/80/49/1066088049.db2.gz ZQFNSNUQQXKCBZ-ICSRJNTNSA-N 1 0 455.578 4.827 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360931993 1066088881 /nfs/dbraw/zinc/08/88/81/1066088881.db2.gz BNSHTWKWSQBVRA-FQEVSTJZSA-N 1 0 476.394 4.725 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001442064837 1066089219 /nfs/dbraw/zinc/08/92/19/1066089219.db2.gz VBESGTMENWSTGM-QSEAXJEQSA-N 1 0 455.643 4.756 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001442071305 1066089875 /nfs/dbraw/zinc/08/98/75/1066089875.db2.gz JKXUJJPEJJYDSX-DHIUTWEWSA-N 1 0 455.643 4.613 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC[N@@H+]1C ZINC001360933776 1066091957 /nfs/dbraw/zinc/09/19/57/1066091957.db2.gz MKZGGXVSWSPWNC-VQIMIIECSA-N 1 0 457.500 4.508 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCCC2)cnn1C ZINC001360934535 1066092571 /nfs/dbraw/zinc/09/25/71/1066092571.db2.gz CJGOJDQTRPUYDJ-FQEVSTJZSA-N 1 0 463.674 4.653 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360935370 1066095123 /nfs/dbraw/zinc/09/51/23/1066095123.db2.gz HWNHYVJGQKMFCC-QFIPXVFZSA-N 1 0 490.471 4.683 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CC(C)(C)[NH+]2CCCCC2)cnn1C ZINC001360935558 1066095299 /nfs/dbraw/zinc/09/52/99/1066095299.db2.gz PALHUPJHBFDTRB-UHFFFAOYSA-N 1 0 456.038 4.541 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCSCC3)cc2)CC1 ZINC001360936070 1066096009 /nfs/dbraw/zinc/09/60/09/1066096009.db2.gz IOEJBVUBGPKWRZ-UHFFFAOYSA-N 1 0 459.059 4.676 20 0 JJADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC001442149618 1066097581 /nfs/dbraw/zinc/09/75/81/1066097581.db2.gz HWDLCQCTGHPZHC-HXUWFJFHSA-N 1 0 456.428 4.691 20 0 JJADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC001442149614 1066097676 /nfs/dbraw/zinc/09/76/76/1066097676.db2.gz HWDLCQCTGHPZHC-FQEVSTJZSA-N 1 0 456.428 4.691 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 ZINC001442160464 1066098395 /nfs/dbraw/zinc/09/83/95/1066098395.db2.gz MFEPVTFZDPYESX-CUNXSJBXSA-N 1 0 457.574 4.784 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360944904 1066099791 /nfs/dbraw/zinc/09/97/91/1066099791.db2.gz NMQJQDKUKYGSMB-OAQYLSRUSA-N 1 0 453.587 4.910 20 0 JJADRO Cc1c(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cnn1C ZINC001360945237 1066100198 /nfs/dbraw/zinc/10/01/98/1066100198.db2.gz ZKCPDJAGMQWOGE-AFMDSPMNSA-N 1 0 484.092 4.711 20 0 JJADRO CC(C)(C)OC(=O)C1(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCCCCC1 ZINC001442195462 1066101295 /nfs/dbraw/zinc/10/12/95/1066101295.db2.gz UIMZQJNZGWNHKC-UHFFFAOYSA-N 1 0 455.643 4.839 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001360949450 1066104939 /nfs/dbraw/zinc/10/49/39/1066104939.db2.gz HFVKQBNFGBUGCP-RTBURBONSA-N 1 0 486.661 4.766 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001360949440 1066104959 /nfs/dbraw/zinc/10/49/59/1066104959.db2.gz GUQXTWHJQHFFCD-CJAUYULYSA-N 1 0 486.661 4.908 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC[NH+]1CCCCCC1 ZINC001360949629 1066106219 /nfs/dbraw/zinc/10/62/19/1066106219.db2.gz NCTZXAJQIXIHNU-UHFFFAOYSA-N 1 0 475.062 4.788 20 0 JJADRO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951824 1066108492 /nfs/dbraw/zinc/10/84/92/1066108492.db2.gz KNTKIOXLTHVYRE-MISYRCLQSA-N 1 0 452.467 4.981 20 0 JJADRO O=C(CSCc1ccc(F)cc1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951765 1066108604 /nfs/dbraw/zinc/10/86/04/1066108604.db2.gz IVUPNIVWWHDPMO-FQEVSTJZSA-N 1 0 454.533 4.972 20 0 JJADRO CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1OCC ZINC001442284126 1066111235 /nfs/dbraw/zinc/11/12/35/1066111235.db2.gz ALINOZDXIUJNSP-UXHICEINSA-N 1 0 452.595 4.565 20 0 JJADRO Cc1c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)cnn1CC(C)C ZINC001360956795 1066112809 /nfs/dbraw/zinc/11/28/09/1066112809.db2.gz QKUQZJCDOLHHCO-QFIPXVFZSA-N 1 0 497.663 4.544 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)C2(c3ccc(C)c(C)c3)CCOCC2)ccc1OC ZINC001360959012 1066116195 /nfs/dbraw/zinc/11/61/95/1066116195.db2.gz NZOUIJWOLMPLAW-UHFFFAOYSA-N 1 0 454.611 4.720 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)ccc1O)c1ccc(C(F)(F)F)cc1 ZINC001442329542 1066116511 /nfs/dbraw/zinc/11/65/11/1066116511.db2.gz REQDZLJZSKBDGR-KRWDZBQOSA-N 1 0 459.306 4.986 20 0 JJADRO CC(C)(CNC(=O)c1cc(-c2cccc(Br)c2)no1)[N@@H+]1CCc2ccccc2C1 ZINC001442332306 1066116942 /nfs/dbraw/zinc/11/69/42/1066116942.db2.gz NZCHKKPEFKEWNZ-UHFFFAOYSA-N 1 0 454.368 4.671 20 0 JJADRO C[N@H+](CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC001442336660 1066118274 /nfs/dbraw/zinc/11/82/74/1066118274.db2.gz LDLUGRDPJIAMDP-IBGZPJMESA-N 1 0 457.537 4.652 20 0 JJADRO C[C@@H](CC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442344616 1066118311 /nfs/dbraw/zinc/11/83/11/1066118311.db2.gz UDEPHZZYSWSSEW-LADGPHEKSA-N 1 0 459.675 4.683 20 0 JJADRO Cc1ccoc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001360960142 1066118610 /nfs/dbraw/zinc/11/86/10/1066118610.db2.gz BVZNSMBKWRLZCC-UHFFFAOYSA-N 1 0 476.394 4.763 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1nc2ccccc2[nH]1 ZINC001442352311 1066119215 /nfs/dbraw/zinc/11/92/15/1066119215.db2.gz MASAALJDKZQGHG-UHFFFAOYSA-N 1 0 451.423 4.942 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOc1ccc(C)cc1Br ZINC001360961975 1066121239 /nfs/dbraw/zinc/12/12/39/1066121239.db2.gz WBDOQDDGRQBYSH-NRFANRHFSA-N 1 0 459.428 4.897 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC001360962166 1066121728 /nfs/dbraw/zinc/12/17/28/1066121728.db2.gz YVZRJVRDYJWCPF-UWJYYQICSA-N 1 0 450.549 4.536 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC001360962159 1066121749 /nfs/dbraw/zinc/12/17/49/1066121749.db2.gz YVZRJVRDYJWCPF-DYESRHJHSA-N 1 0 450.549 4.536 20 0 JJADRO O=C(NCCNc1ccc(C(F)(F)F)cn1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001442423681 1066126766 /nfs/dbraw/zinc/12/67/66/1066126766.db2.gz CGYCRYFQIAANSV-WOJBJXKFSA-N 1 0 474.552 4.606 20 0 JJADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001442427254 1066126874 /nfs/dbraw/zinc/12/68/74/1066126874.db2.gz GITPVHZPPZIDAZ-BEFAXECRSA-N 1 0 458.430 4.750 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442447301 1066127307 /nfs/dbraw/zinc/12/73/07/1066127307.db2.gz LNHPUBVFXHIAQE-DEOSSOPVSA-N 1 0 451.014 4.972 20 0 JJADRO Cc1c(Cn2c(CCc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cnn1CC(C)C ZINC001360973827 1066130596 /nfs/dbraw/zinc/13/05/96/1066130596.db2.gz QGYKMDDHWUBZOO-UHFFFAOYSA-N 1 0 477.701 4.583 20 0 JJADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC001442568504 1066138963 /nfs/dbraw/zinc/13/89/63/1066138963.db2.gz HRINIYDVJIRMBF-IGKIAQTJSA-N 1 0 450.623 4.660 20 0 JJADRO CC[C@@H](C)c1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545950381 1066143338 /nfs/dbraw/zinc/14/33/38/1066143338.db2.gz PKANYMWFQJRUIR-YMPZKCBVSA-N 1 0 484.689 4.806 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001360983663 1066143925 /nfs/dbraw/zinc/14/39/25/1066143925.db2.gz DQCXBRPUPDJRLK-WOJBJXKFSA-N 1 0 468.690 4.850 20 0 JJADRO CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001442606530 1066144017 /nfs/dbraw/zinc/14/40/17/1066144017.db2.gz YZSSSJDBZJVLOZ-QHCPKHFHSA-N 1 0 455.643 4.859 20 0 JJADRO Cc1c(Cl)cccc1NC(=O)CCn1c(C2CC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360984309 1066145867 /nfs/dbraw/zinc/14/58/67/1066145867.db2.gz RRUXDHSYNKZFDI-UHFFFAOYSA-N 1 0 473.065 4.704 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+](C)C1CCCC1 ZINC001360986175 1066150278 /nfs/dbraw/zinc/15/02/78/1066150278.db2.gz WIHWSHLCJAPSPM-UHFFFAOYSA-N 1 0 496.059 4.560 20 0 JJADRO CC[C@H](Cn1c(C(C)C)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545950961 1066153126 /nfs/dbraw/zinc/15/31/26/1066153126.db2.gz ZGFMDXFJAAFRJB-SDUSCBPUSA-N 1 0 453.675 4.880 20 0 JJADRO CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001442719325 1066155339 /nfs/dbraw/zinc/15/53/39/1066155339.db2.gz IPJUNNNBQZULNP-QGZVFWFLSA-N 1 0 459.553 4.631 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccn2cc(C(F)(F)F)nc2c1 ZINC001442732663 1066156391 /nfs/dbraw/zinc/15/63/91/1066156391.db2.gz XJAGWGOGKGDTHX-UHFFFAOYSA-N 1 0 458.406 4.576 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360987071 1066156658 /nfs/dbraw/zinc/15/66/58/1066156658.db2.gz RQNZMBDYQWWLAX-QHCPKHFHSA-N 1 0 480.701 4.967 20 0 JJADRO C[C@@H]1CCCC[C@@H]1CNC(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001442755270 1066157072 /nfs/dbraw/zinc/15/70/72/1066157072.db2.gz ZCMJZJOAOOZYHA-FYYLOGMGSA-N 1 0 457.659 4.879 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1CC[NH+]1CCCCCC1 ZINC001360987469 1066158363 /nfs/dbraw/zinc/15/83/63/1066158363.db2.gz YMVKEYFOJXSHSI-UHFFFAOYSA-N 1 0 466.674 4.579 20 0 JJADRO Cc1ccc(C(=O)Nc2ccc(OC(=O)CCC[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC001442766518 1066158669 /nfs/dbraw/zinc/15/86/69/1066158669.db2.gz VISOORDHDYLQQR-UHFFFAOYSA-N 1 0 457.574 4.755 20 0 JJADRO COc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1OC ZINC001360988191 1066158725 /nfs/dbraw/zinc/15/87/25/1066158725.db2.gz XJLJLOUVWYMWRP-DCEDVJGZSA-N 1 0 450.623 4.689 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001360989299 1066160492 /nfs/dbraw/zinc/16/04/92/1066160492.db2.gz CGUVVNUJKVLQHS-QTGUNEKASA-N 1 0 490.092 4.771 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360990199 1066166309 /nfs/dbraw/zinc/16/63/09/1066166309.db2.gz QYDPZJVUQPTWRX-IVAOSVALSA-N 1 0 476.065 4.786 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001360992498 1066171836 /nfs/dbraw/zinc/17/18/36/1066171836.db2.gz OWISGHXYVOOUSC-DUXKGJEZSA-N 1 0 476.065 4.645 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCOCC(F)F ZINC001360992658 1066172032 /nfs/dbraw/zinc/17/20/32/1066172032.db2.gz QMFJMFPFCLSGGU-SFHVURJKSA-N 1 0 498.018 4.645 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOCC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001360993032 1066172919 /nfs/dbraw/zinc/17/29/19/1066172919.db2.gz WYAKDOLYOFHMIE-FPOVZHCZSA-N 1 0 464.054 4.501 20 0 JJADRO CCN(CC)c1ccc2cc(C(=O)NC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)c(=O)oc2c1 ZINC001360996376 1066175159 /nfs/dbraw/zinc/17/51/59/1066175159.db2.gz INIHZIKGWMKHCF-MBSDFSHPSA-N 1 0 453.608 4.514 20 0 JJADRO Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC001360998271 1066177521 /nfs/dbraw/zinc/17/75/21/1066177521.db2.gz YGAMXJMCCMRCNF-IATMXGELSA-N 1 0 457.663 4.610 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H](C)c2cccc(C)c2)n1 ZINC001361008576 1066189801 /nfs/dbraw/zinc/18/98/01/1066189801.db2.gz YODUBABKJAPRRY-JOCHJYFZSA-N 1 0 477.701 4.808 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1ccc(OCC(F)(F)F)nc1)Cc1ccccc1 ZINC001361013654 1066198892 /nfs/dbraw/zinc/19/88/92/1066198892.db2.gz RDBZTIMBNQOBIW-UHFFFAOYSA-N 1 0 457.496 4.797 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)c(C)c1 ZINC001361014473 1066201308 /nfs/dbraw/zinc/20/13/08/1066201308.db2.gz ONVJSMONZXHAMF-JOCHJYFZSA-N 1 0 482.698 4.841 20 0 JJADRO Cc1cc(C)cc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001361015177 1066203452 /nfs/dbraw/zinc/20/34/52/1066203452.db2.gz PKPGQSQTFWRDMH-UHFFFAOYSA-N 1 0 485.474 4.673 20 0 JJADRO Cc1cc(C)cc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001361017126 1066205654 /nfs/dbraw/zinc/20/56/54/1066205654.db2.gz KDDORSRWKXBTRQ-VWLOTQADSA-N 1 0 453.675 4.936 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361017978 1066207476 /nfs/dbraw/zinc/20/74/76/1066207476.db2.gz HEPZGQPFFGLVEQ-XPWALMASSA-N 1 0 471.715 4.784 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001361018236 1066207959 /nfs/dbraw/zinc/20/79/59/1066207959.db2.gz KAZCBPHCIDGCLQ-HSZRJFAPSA-N 1 0 471.715 4.928 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001361020175 1066209806 /nfs/dbraw/zinc/20/98/06/1066209806.db2.gz QJVNRGXQBQUZAB-AKFKNWHVSA-N 1 0 468.041 4.746 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361020815 1066211895 /nfs/dbraw/zinc/21/18/95/1066211895.db2.gz IUURWEHVLUFSCY-HXUWFJFHSA-N 1 0 469.033 4.643 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361021124 1066213190 /nfs/dbraw/zinc/21/31/90/1066213190.db2.gz QTGKUHZFMDPJFB-JOCHJYFZSA-N 1 0 477.657 4.508 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)c2c(C)ccc(F)c2Br)ccc1OC ZINC001361021214 1066213226 /nfs/dbraw/zinc/21/32/26/1066213226.db2.gz FCVHBDJDNSVACP-UHFFFAOYSA-N 1 0 453.352 4.878 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001361021396 1066215038 /nfs/dbraw/zinc/21/50/38/1066215038.db2.gz WUVPPXUERFVWDX-OAQYLSRUSA-N 1 0 468.671 4.831 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CC3CCOCC3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001361022638 1066218814 /nfs/dbraw/zinc/21/88/14/1066218814.db2.gz XMNGHQSTRMGEAH-UHFFFAOYSA-N 1 0 469.674 4.601 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361023899 1066220685 /nfs/dbraw/zinc/22/06/85/1066220685.db2.gz FRILZAUHHIHHMC-DHTSOJEISA-N 1 0 457.688 4.536 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361024942 1066223203 /nfs/dbraw/zinc/22/32/03/1066223203.db2.gz RNFWILWYGNYMPE-ILBGXUMGSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361026831 1066227332 /nfs/dbraw/zinc/22/73/32/1066227332.db2.gz IANPXHDRDNRNMK-AOYPEHQESA-N 1 0 483.701 4.703 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361026830 1066227514 /nfs/dbraw/zinc/22/75/14/1066227514.db2.gz IANPXHDRDNRNMK-AHWVRZQESA-N 1 0 483.701 4.703 20 0 JJADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001442834602 1066228903 /nfs/dbraw/zinc/22/89/03/1066228903.db2.gz CUVKKMDQLHAROK-ILBGXUMGSA-N 1 0 455.440 4.894 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)O1 ZINC001546056914 1066229731 /nfs/dbraw/zinc/22/97/31/1066229731.db2.gz LJJIOXVZZRMOBV-RCZVLFRGSA-N 1 0 474.719 4.538 20 0 JJADRO O=C(COc1ccccc1OCc1ccccc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001442838163 1066230094 /nfs/dbraw/zinc/23/00/94/1066230094.db2.gz JTCMHWGOMIPVAP-UHFFFAOYSA-N 1 0 458.602 4.812 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001361027767 1066230495 /nfs/dbraw/zinc/23/04/95/1066230495.db2.gz CPARSHHMRSKATC-IFMALSPDSA-N 1 0 495.590 4.506 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001361028820 1066234613 /nfs/dbraw/zinc/23/46/13/1066234613.db2.gz RZQYSZWXXYWMPR-NHCUHLMSSA-N 1 0 457.688 4.679 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)[NH+]2CCCC2)o1 ZINC001442881260 1066237232 /nfs/dbraw/zinc/23/72/32/1066237232.db2.gz OAJKJEZUBAAIPC-XMMPIXPASA-N 1 0 459.590 4.527 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361030935 1066238594 /nfs/dbraw/zinc/23/85/94/1066238594.db2.gz BHUNKFZXJFDGOB-NDEPHWFRSA-N 1 0 483.701 4.772 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@@H]2CCO[C@H](C)C2)c1 ZINC001361031516 1066242306 /nfs/dbraw/zinc/24/23/06/1066242306.db2.gz UEUNACABLDZCEY-DHIUTWEWSA-N 1 0 469.674 4.646 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001361031951 1066244315 /nfs/dbraw/zinc/24/43/15/1066244315.db2.gz GKWCKJODEQDMMO-PZJWPPBQSA-N 1 0 495.590 4.504 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001361032049 1066244396 /nfs/dbraw/zinc/24/43/96/1066244396.db2.gz JLGNSFJDIZNSPQ-ILBGXUMGSA-N 1 0 479.673 4.525 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361032649 1066246797 /nfs/dbraw/zinc/24/67/97/1066246797.db2.gz SYJRZPKJZOFTML-GOTSBHOMSA-N 1 0 469.674 4.742 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361032653 1066247098 /nfs/dbraw/zinc/24/70/98/1066247098.db2.gz SYJRZPKJZOFTML-XZOQPEGZSA-N 1 0 469.674 4.742 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001361033211 1066249614 /nfs/dbraw/zinc/24/96/14/1066249614.db2.gz ZNEDYBGWSXDRCX-VWNXMTODSA-N 1 0 469.674 4.598 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001361033210 1066249647 /nfs/dbraw/zinc/24/96/47/1066249647.db2.gz ZNEDYBGWSXDRCX-UPVQGACJSA-N 1 0 469.674 4.598 20 0 JJADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)CC1 ZINC001454154520 1066250602 /nfs/dbraw/zinc/25/06/02/1066250602.db2.gz YEFFLUBKNVXUTH-BMRMRWSQSA-N 1 0 453.454 4.791 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001361035157 1066252983 /nfs/dbraw/zinc/25/29/83/1066252983.db2.gz RKZHGTJOBUPKNH-QHCPKHFHSA-N 1 0 469.674 4.744 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001361039045 1066259070 /nfs/dbraw/zinc/25/90/70/1066259070.db2.gz WIWNMUBOXZIOMC-QHCPKHFHSA-N 1 0 471.715 4.928 20 0 JJADRO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001454270917 1066262471 /nfs/dbraw/zinc/26/24/71/1066262471.db2.gz ZTUGJMNXGBRHHZ-UHFFFAOYSA-N 1 0 456.578 4.890 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001546060285 1066273723 /nfs/dbraw/zinc/27/37/23/1066273723.db2.gz XTFRVYJQNDJDDY-QNXIHNPRSA-N 1 0 466.674 4.894 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001546060283 1066273982 /nfs/dbraw/zinc/27/39/82/1066273982.db2.gz XTFRVYJQNDJDDY-FBIATWESSA-N 1 0 466.674 4.894 20 0 JJADRO Cc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001361046093 1066274450 /nfs/dbraw/zinc/27/44/50/1066274450.db2.gz VFOZDIRGQIKMPD-SJLPKXTDSA-N 1 0 460.548 4.921 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@H](C[NH+]3CCCCC3)c3ccccc3)cc2)c1 ZINC001443166165 1066276868 /nfs/dbraw/zinc/27/68/68/1066276868.db2.gz NTLLTWCFCOZFJE-HHHXNRCGSA-N 1 0 455.602 4.882 20 0 JJADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396048 1066277762 /nfs/dbraw/zinc/27/77/62/1066277762.db2.gz BGETZDSLOJZXBZ-KXBFYZLASA-N 1 0 454.924 4.583 20 0 JJADRO CCOc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)ccc1OCc1cccnc1 ZINC001454400448 1066278296 /nfs/dbraw/zinc/27/82/96/1066278296.db2.gz LCQOKTWVANUIOQ-SQJMNOBHSA-N 1 0 459.590 4.700 20 0 JJADRO CCOc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)ccc1OCc1cccnc1 ZINC001454400442 1066278386 /nfs/dbraw/zinc/27/83/86/1066278386.db2.gz LCQOKTWVANUIOQ-PXDATVDWSA-N 1 0 459.590 4.700 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001454402727 1066278534 /nfs/dbraw/zinc/27/85/34/1066278534.db2.gz LAVBJVDDSMOIRU-WDDWZANVSA-N 1 0 455.643 4.537 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001454404494 1066279391 /nfs/dbraw/zinc/27/93/91/1066279391.db2.gz UNGSSKOJUCPHIE-DMDCLOPFSA-N 1 0 453.671 4.659 20 0 JJADRO Cc1cc(-c2nnc(N(C)CCOC(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2n1 ZINC001361049218 1066280815 /nfs/dbraw/zinc/28/08/15/1066280815.db2.gz WOZQNWHPMRXKLA-QFIPXVFZSA-N 1 0 494.684 4.554 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC001546061538 1066281376 /nfs/dbraw/zinc/28/13/76/1066281376.db2.gz BQQDBUQIVOPIST-FOTFPPMPSA-N 1 0 475.703 4.773 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546061582 1066282139 /nfs/dbraw/zinc/28/21/39/1066282139.db2.gz BZILEZGXMLIHRI-SBZFUYPRSA-N 1 0 473.637 4.683 20 0 JJADRO Cc1cc(-c2nnc(N3CCOC(C)(C)C3)n2CCC[NH+](C(C)C)C(C)C)c2ccccc2n1 ZINC001361049926 1066283518 /nfs/dbraw/zinc/28/35/18/1066283518.db2.gz QYDXFNBFCASXBE-UHFFFAOYSA-N 1 0 464.658 4.926 20 0 JJADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC001443260656 1066285560 /nfs/dbraw/zinc/28/55/60/1066285560.db2.gz FPLSSWSSCFUKNE-FXAWDEMLSA-N 1 0 457.416 4.528 20 0 JJADRO CCn1ncc2cc(C(=O)N3CCC([N@H+](C)Cc4cccc(C(F)(F)F)c4)CC3)c(C)nc21 ZINC001443259981 1066285818 /nfs/dbraw/zinc/28/58/18/1066285818.db2.gz DBWBXPMKDASWJR-UHFFFAOYSA-N 1 0 459.516 4.515 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC001443259976 1066285898 /nfs/dbraw/zinc/28/58/98/1066285898.db2.gz DBUVDARKNXZFGN-SFHVURJKSA-N 1 0 459.512 4.644 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC001443270944 1066288610 /nfs/dbraw/zinc/28/86/10/1066288610.db2.gz ZTYQZCRNXVRERI-LJQANCHMSA-N 1 0 453.530 4.750 20 0 JJADRO Cc1cccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001361053477 1066288895 /nfs/dbraw/zinc/28/88/95/1066288895.db2.gz JJFWPTXGQVGEJE-LEAFIULHSA-N 1 0 483.701 4.632 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@@H](SC)C1)[NH+]1CCCC1 ZINC001545956691 1066289736 /nfs/dbraw/zinc/28/97/36/1066289736.db2.gz HJBJFMHRQSLLST-RTBURBONSA-N 1 0 495.535 4.642 20 0 JJADRO O=C(N[C@H](CCO)c1cc(Cl)cc(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001454480623 1066290455 /nfs/dbraw/zinc/29/04/55/1066290455.db2.gz QGRWAXUOKHIGPU-VQTJNVASSA-N 1 0 457.348 4.691 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001546062109 1066290527 /nfs/dbraw/zinc/29/05/27/1066290527.db2.gz KZKYXWJXYPSJRZ-GJZUVCINSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)no1 ZINC001361054860 1066291343 /nfs/dbraw/zinc/29/13/43/1066291343.db2.gz IXNTUQCDPOJECY-LSDHHAIUSA-N 1 0 493.475 4.822 20 0 JJADRO Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C3)cc1 ZINC001443301872 1066292347 /nfs/dbraw/zinc/29/23/47/1066292347.db2.gz GDNUXOAFHVOFCP-AREMUKBSSA-N 1 0 452.574 4.736 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)CCc1nccs1)[NH+]1CCCC1 ZINC001545957003 1066295910 /nfs/dbraw/zinc/29/59/10/1066295910.db2.gz MUFMALASBISWIL-LJQANCHMSA-N 1 0 489.487 4.717 20 0 JJADRO CSc1nc(C2CC2)nc(C)c1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001443356568 1066299175 /nfs/dbraw/zinc/29/91/75/1066299175.db2.gz ITGXTDDUTOVFDQ-UHFFFAOYSA-N 1 0 452.668 4.849 20 0 JJADRO Cc1cc(C)n(-c2ccc(CC(=O)NCCCC[NH+]3CCC(Cc4ccccc4)CC3)cc2)n1 ZINC001443352839 1066299309 /nfs/dbraw/zinc/29/93/09/1066299309.db2.gz FKVJCBJIJOCZBY-UHFFFAOYSA-N 1 0 458.650 4.883 20 0 JJADRO Cc1cc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)no1 ZINC001361063023 1066301518 /nfs/dbraw/zinc/30/15/18/1066301518.db2.gz CDLCNGXAADYJIX-GOSISDBHSA-N 1 0 457.022 4.720 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)Cc1ccccc1 ZINC001443390231 1066305459 /nfs/dbraw/zinc/30/54/59/1066305459.db2.gz YUZMCDPAVXGTQH-XMMPIXPASA-N 1 0 457.659 4.627 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CCOc3ccccc3C(C)C)CC2)c1C ZINC001443406947 1066306480 /nfs/dbraw/zinc/30/64/80/1066306480.db2.gz KQLFXZVUWQZHTL-UHFFFAOYSA-N 1 0 453.627 4.722 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)C[NH+]2CCCC2)no1 ZINC001361066628 1066306516 /nfs/dbraw/zinc/30/65/16/1066306516.db2.gz MSMNYAGAQGSXFV-MRXNPFEDSA-N 1 0 493.439 4.829 20 0 JJADRO CCN1CC[NH+](CCCCNC(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc32)CC1 ZINC001443420053 1066309357 /nfs/dbraw/zinc/30/93/57/1066309357.db2.gz DGMTWFYMZBIMEG-UHFFFAOYSA-N 1 0 454.659 4.611 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)C(C)(C)Cc2ccc(O)cc2)cc1 ZINC001454635418 1066313031 /nfs/dbraw/zinc/31/30/31/1066313031.db2.gz YFGHDRAXWOQNCW-RRPNLBNLSA-N 1 0 458.602 4.754 20 0 JJADRO Cc1cc(Cn2c(-c3ccccc3Br)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)no1 ZINC001361073122 1066314094 /nfs/dbraw/zinc/31/40/94/1066314094.db2.gz CVYHUMKWORFWDH-UHFFFAOYSA-N 1 0 487.446 4.609 20 0 JJADRO CC(C)(C)c1ccc(OCc2ccc(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)cc1 ZINC001443475727 1066315637 /nfs/dbraw/zinc/31/56/37/1066315637.db2.gz FCRNCODWHYSRGW-SANMLTNESA-N 1 0 450.623 4.936 20 0 JJADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2sc3cc(C)ccc3c2Cl)CC1 ZINC001443482195 1066316203 /nfs/dbraw/zinc/31/62/03/1066316203.db2.gz OJJOROIHGWLNRK-UHFFFAOYSA-N 1 0 450.048 4.563 20 0 JJADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2sc3cccc(C)c3c2Cl)CC1 ZINC001443484914 1066317139 /nfs/dbraw/zinc/31/71/39/1066317139.db2.gz VACHLZSXSRMHCG-UHFFFAOYSA-N 1 0 450.048 4.563 20 0 JJADRO CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1)[NH+]1CCCC1 ZINC001545959214 1066317243 /nfs/dbraw/zinc/31/72/43/1066317243.db2.gz RUBDGCUPCAPNEE-QGZVFWFLSA-N 1 0 450.400 4.567 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+]1CCCC1 ZINC001545959379 1066321366 /nfs/dbraw/zinc/32/13/66/1066321366.db2.gz VDJPHMWHGZLZRK-CTNGQTDRSA-N 1 0 485.673 4.718 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H]2CCSC2)n1CC[N@H+]1CCC[C@H]1C ZINC001361087305 1066326353 /nfs/dbraw/zinc/32/63/53/1066326353.db2.gz GHAFGVUJAFWPLR-TZIWHRDSSA-N 1 0 478.106 4.678 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC(C)C ZINC001361088035 1066328905 /nfs/dbraw/zinc/32/89/05/1066328905.db2.gz FFRCZHDEUGTZDT-RBBKRZOGSA-N 1 0 460.066 4.971 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001454744228 1066330437 /nfs/dbraw/zinc/33/04/37/1066330437.db2.gz IPVKDKKCSHSSKI-AREMUKBSSA-N 1 0 450.671 4.902 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001361089661 1066337460 /nfs/dbraw/zinc/33/74/60/1066337460.db2.gz ZFVKOYRZRLGPIR-FPOVZHCZSA-N 1 0 492.133 4.783 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001546066092 1066339196 /nfs/dbraw/zinc/33/91/96/1066339196.db2.gz GTOABWWCIJIQQM-AFMDSPMNSA-N 1 0 455.647 4.850 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001361091003 1066339871 /nfs/dbraw/zinc/33/98/71/1066339871.db2.gz LLVPEYSCJBXJDY-OAQYLSRUSA-N 1 0 490.092 4.599 20 0 JJADRO O=C(CSCc1cccc(Cl)c1)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443630520 1066340027 /nfs/dbraw/zinc/34/00/27/1066340027.db2.gz HXLTVEABOWATOL-UHFFFAOYSA-N 1 0 452.451 4.555 20 0 JJADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)c1 ZINC001443647840 1066344340 /nfs/dbraw/zinc/34/43/40/1066344340.db2.gz UHDKEMWNTCDSQQ-KFGJODCASA-N 1 0 457.659 4.863 20 0 JJADRO Cc1cc(F)ccc1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001361094704 1066345172 /nfs/dbraw/zinc/34/51/72/1066345172.db2.gz IFNLZMVSWZDFAY-ZRZAMGCNSA-N 1 0 484.708 4.552 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cc(C)on1)[NH+]1CCCC1 ZINC001545961121 1066350442 /nfs/dbraw/zinc/35/04/42/1066350442.db2.gz OWCBHKSDGRDDEH-FQEVSTJZSA-N 1 0 473.419 4.515 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)c3cccc(C)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001361102840 1066352563 /nfs/dbraw/zinc/35/25/63/1066352563.db2.gz HLSMAZKOIQAKQG-VXKWHMMOSA-N 1 0 463.674 4.974 20 0 JJADRO Cc1cccc(N(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361102847 1066352758 /nfs/dbraw/zinc/35/27/58/1066352758.db2.gz HVBZGBOVTCJLIF-PMACEKPBSA-N 1 0 453.656 4.895 20 0 JJADRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(c3nc(C)c(C(=O)OCC)s3)CC2)cc1 ZINC001455056946 1066356129 /nfs/dbraw/zinc/35/61/29/1066356129.db2.gz MXYMSOPBVMDQST-UHFFFAOYSA-N 1 0 457.640 4.880 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546068138 1066356615 /nfs/dbraw/zinc/35/66/15/1066356615.db2.gz ITIUARQSBMAGQQ-XUZZJYLKSA-N 1 0 490.490 4.691 20 0 JJADRO C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001443723044 1066356756 /nfs/dbraw/zinc/35/67/56/1066356756.db2.gz BLDFXODKDUXEEC-NHCUHLMSSA-N 1 0 455.593 4.513 20 0 JJADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001455070366 1066357066 /nfs/dbraw/zinc/35/70/66/1066357066.db2.gz GZSKTDNVXACXLA-RBBMRSRYSA-N 1 0 457.574 4.564 20 0 JJADRO Cc1cccc(O[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001361110334 1066359224 /nfs/dbraw/zinc/35/92/24/1066359224.db2.gz MXXCEENSELLMOA-OAQYLSRUSA-N 1 0 453.656 4.627 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3cccc(C)c3)n2CC[N@H+](C)C2CCCCC2)o1 ZINC001361111939 1066362552 /nfs/dbraw/zinc/36/25/52/1066362552.db2.gz GIZLYGOCPQBNBX-UHFFFAOYSA-N 1 0 451.615 4.935 20 0 JJADRO CC(C)(C)OC(=O)NCC1(CC(=O)N2CCN(C/C=C\c3ccccc3)CC2)CCCCC1 ZINC001443763420 1066363578 /nfs/dbraw/zinc/36/35/78/1066363578.db2.gz UOGHRFFDHRJOPQ-RAXLEYEMSA-N 1 0 455.643 4.709 20 0 JJADRO Nc1cc(Br)ccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001443763332 1066363654 /nfs/dbraw/zinc/36/36/54/1066363654.db2.gz DMXZFOSGZBHAND-UHFFFAOYSA-N 1 0 457.199 4.733 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001443795096 1066369501 /nfs/dbraw/zinc/36/95/01/1066369501.db2.gz AKJHVGVLCSCSJK-QFIPXVFZSA-N 1 0 452.986 4.836 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNC(=O)[C@H]1CCN(c2ccccc2F)C1)C1CCCC1 ZINC001361118962 1066370262 /nfs/dbraw/zinc/37/02/62/1066370262.db2.gz LJXKLXJTBXMZQD-QFIPXVFZSA-N 1 0 453.602 4.612 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545962549 1066373395 /nfs/dbraw/zinc/37/33/95/1066373395.db2.gz FNPDHSPFEINJQH-NRFANRHFSA-N 1 0 488.677 4.706 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(C)(C)C)n2CC[NH+]2CCSCC2)c1 ZINC001361124040 1066376475 /nfs/dbraw/zinc/37/64/75/1066376475.db2.gz UVLGYPLZYYHCOK-UHFFFAOYSA-N 1 0 459.704 4.820 20 0 JJADRO CC1(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001443881475 1066380450 /nfs/dbraw/zinc/38/04/50/1066380450.db2.gz KFPRDNMLJFTXAR-QHCPKHFHSA-N 1 0 458.021 4.862 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001361125916 1066380726 /nfs/dbraw/zinc/38/07/26/1066380726.db2.gz HHDIWYPWJYQCKM-KMDXXIMOSA-N 1 0 483.701 4.618 20 0 JJADRO O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001455312943 1066382777 /nfs/dbraw/zinc/38/27/77/1066382777.db2.gz YYNDHPFPQWITNH-PCCDRTMGSA-N 1 0 456.533 4.588 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361126266 1066383748 /nfs/dbraw/zinc/38/37/48/1066383748.db2.gz PDVJBGPGAYSQEA-YADHBBJMSA-N 1 0 469.674 4.777 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCCC1 ZINC001545963179 1066385311 /nfs/dbraw/zinc/38/53/11/1066385311.db2.gz RAVOHHDIXTYLAV-AZUAARDMSA-N 1 0 476.463 4.506 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(F)(F)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001361126840 1066386223 /nfs/dbraw/zinc/38/62/23/1066386223.db2.gz ABBOOABIVGHSAG-FQEVSTJZSA-N 1 0 461.601 4.866 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)OC ZINC001545963372 1066387674 /nfs/dbraw/zinc/38/76/74/1066387674.db2.gz VISQXUZLHDZWDO-HXUWFJFHSA-N 1 0 492.506 4.999 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2C[C@](C)(O)C(C)C)c1 ZINC001361127866 1066389923 /nfs/dbraw/zinc/38/99/23/1066389923.db2.gz PNNCGRMEPYRDAC-FIPFOOKPSA-N 1 0 483.701 4.761 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2C[C@](C)(O)C(C)C)c1 ZINC001361127868 1066390122 /nfs/dbraw/zinc/39/01/22/1066390122.db2.gz PNNCGRMEPYRDAC-LXFBAYGMSA-N 1 0 483.701 4.761 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001455492700 1066397258 /nfs/dbraw/zinc/39/72/58/1066397258.db2.gz GRFJXCKDJSCBKB-HSZRJFAPSA-N 1 0 455.643 4.972 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001361131195 1066398344 /nfs/dbraw/zinc/39/83/44/1066398344.db2.gz BBFIZOHKBBTQIU-KNQAVFIVSA-N 1 0 457.688 4.571 20 0 JJADRO COc1cccc(Cc2cnc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)s2)c1 ZINC001455506440 1066399182 /nfs/dbraw/zinc/39/91/82/1066399182.db2.gz YAIMQFYPCBERDN-NRFANRHFSA-N 1 0 457.546 4.838 20 0 JJADRO CC1([NH+]2CCCCC2)CCN(C(=O)c2cc(Br)sc2Br)CC1 ZINC001455507499 1066399806 /nfs/dbraw/zinc/39/98/06/1066399806.db2.gz RXHHLJBQQAUIQM-UHFFFAOYSA-N 1 0 450.240 4.754 20 0 JJADRO CCC(CC)(CNC(=O)c1nnn(-c2ccc3ncccc3c2)c1C)[NH2+][C@H](C)c1ccccc1 ZINC001444088638 1066403815 /nfs/dbraw/zinc/40/38/15/1066403815.db2.gz LYEROEDOBOMPEG-LJQANCHMSA-N 1 0 456.594 4.763 20 0 JJADRO Cc1ccc([C@@H](C)Cn2c(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001361134063 1066405615 /nfs/dbraw/zinc/40/56/15/1066405615.db2.gz ACBXHXHYZAUUFD-QHCPKHFHSA-N 1 0 466.718 4.683 20 0 JJADRO Cc1ccc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001361136740 1066410861 /nfs/dbraw/zinc/41/08/61/1066410861.db2.gz ZCPKQZCBPYFMCH-SMIHKQSGSA-N 1 0 467.702 4.914 20 0 JJADRO O=C(Cc1csc(-c2cccs2)n1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444136069 1066412472 /nfs/dbraw/zinc/41/24/72/1066412472.db2.gz LZTUSBYGSXMBEC-INIZCTEOSA-N 1 0 451.539 4.824 20 0 JJADRO CCOc1ccccc1OCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444138538 1066413074 /nfs/dbraw/zinc/41/30/74/1066413074.db2.gz PFIVJTMSPYSKQU-HXUWFJFHSA-N 1 0 450.501 4.654 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3nnc(C(C)C)o3)C2)[NH+](C)C)cc1 ZINC001361138434 1066413753 /nfs/dbraw/zinc/41/37/53/1066413753.db2.gz AEKGNEJFAPDEAE-FGZHOGPDSA-N 1 0 495.672 4.562 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3nnc(C(C)C)o3)C2)[NH+](C)C)cc1 ZINC001361138431 1066413780 /nfs/dbraw/zinc/41/37/80/1066413780.db2.gz AEKGNEJFAPDEAE-FCHUYYIVSA-N 1 0 495.672 4.562 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC001361138507 1066413787 /nfs/dbraw/zinc/41/37/87/1066413787.db2.gz AZRYYEJHZGYQBT-GGAORHGYSA-N 1 0 453.656 4.790 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@@H]3CC3(F)F)c2)[NH+](C)C)cc1 ZINC001361139452 1066414936 /nfs/dbraw/zinc/41/49/36/1066414936.db2.gz JXLDFQFTUYAIJF-VQTJNVASSA-N 1 0 457.573 4.998 20 0 JJADRO Cc1ccc([C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)[NH+](C)C)cc1 ZINC001361139341 1066415177 /nfs/dbraw/zinc/41/51/77/1066415177.db2.gz IDDLAJMSOKHIIU-VWNXMTODSA-N 1 0 496.700 4.993 20 0 JJADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)C2)n1 ZINC001361139643 1066415769 /nfs/dbraw/zinc/41/57/69/1066415769.db2.gz NCXXFZKHBBUJKS-DNQXCXABSA-N 1 0 478.689 4.528 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccsc3)CC2)[NH+](C)C)cc1 ZINC001361139815 1066416479 /nfs/dbraw/zinc/41/64/79/1066416479.db2.gz PTNZFVNNGMHTLC-XMMPIXPASA-N 1 0 494.709 4.548 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)[NH+]2CCCC2)cc1 ZINC001361139775 1066416499 /nfs/dbraw/zinc/41/64/99/1066416499.db2.gz PDMWYQHVLJNXQT-OAQYLSRUSA-N 1 0 493.618 4.906 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)o1 ZINC001361139945 1066416609 /nfs/dbraw/zinc/41/66/09/1066416609.db2.gz RZVKSEKKCVDYMY-NQIIRXRSSA-N 1 0 490.574 4.531 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361140340 1066417156 /nfs/dbraw/zinc/41/71/56/1066417156.db2.gz YZWYWQCFDBVAFK-FCHUYYIVSA-N 1 0 483.060 4.856 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccccn3)nnc2N(C)C[C@@H](C)c2nccs2)[NH+](C)C)cc1 ZINC001361140324 1066417178 /nfs/dbraw/zinc/41/71/78/1066417178.db2.gz YROPQYDXOULPLA-DENIHFKCSA-N 1 0 461.639 4.648 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@H](C)C2)[NH+](C)C)cc1 ZINC001361140058 1066417260 /nfs/dbraw/zinc/41/72/60/1066417260.db2.gz UOPBWQORVRQQHK-XLIONFOSSA-N 1 0 457.047 4.547 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)C[C@H](C)c2nccs2)[NH+](C)C)cc1 ZINC001361140327 1066417272 /nfs/dbraw/zinc/41/72/72/1066417272.db2.gz YROPQYDXOULPLA-UGKGYDQZSA-N 1 0 461.639 4.648 20 0 JJADRO Cc1cc(Cl)ccc1O[C@@H](C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1 ZINC001455643272 1066418189 /nfs/dbraw/zinc/41/81/89/1066418189.db2.gz ZSJDLGLWPOKWKE-UMXIMWEHSA-N 1 0 457.014 4.776 20 0 JJADRO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(-c2ccc(Br)cc2)s1 ZINC001455641023 1066418235 /nfs/dbraw/zinc/41/82/35/1066418235.db2.gz NVXNKWOSULAZBT-HKUYNNGSSA-N 1 0 463.441 4.798 20 0 JJADRO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001455639557 1066418275 /nfs/dbraw/zinc/41/82/75/1066418275.db2.gz GUHWHPTZOCDVLA-CVDCTZTESA-N 1 0 473.411 4.862 20 0 JJADRO Cc1ccc([C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)[NH+](C)C)cc1 ZINC001361140765 1066418814 /nfs/dbraw/zinc/41/88/14/1066418814.db2.gz GJWUTHXDNRVDRV-XZOQPEGZSA-N 1 0 482.673 4.808 20 0 JJADRO Cc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N(Cc2ccco2)C(C)C)[NH+](C)C)cc1 ZINC001361140958 1066419253 /nfs/dbraw/zinc/41/92/53/1066419253.db2.gz JIXVDRQYOOELDI-RUZDIDTESA-N 1 0 458.610 4.883 20 0 JJADRO C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001455651426 1066419531 /nfs/dbraw/zinc/41/95/31/1066419531.db2.gz VQDUESJQOKNZBK-CYBMUJFWSA-N 1 0 457.493 4.605 20 0 JJADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC001444158066 1066420977 /nfs/dbraw/zinc/42/09/77/1066420977.db2.gz ITOQHHLLQCRKGY-JOCHJYFZSA-N 1 0 457.640 4.904 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC3CC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC001361141836 1066422438 /nfs/dbraw/zinc/42/24/38/1066422438.db2.gz RCHIIEGEZHOSKZ-XMMPIXPASA-N 1 0 496.700 4.678 20 0 JJADRO CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001444163974 1066423687 /nfs/dbraw/zinc/42/36/87/1066423687.db2.gz HASKHUBHYFRFBW-KDYSTLNUSA-N 1 0 459.675 4.775 20 0 JJADRO C[C@H]1CN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CC[N@@H+]1C1CCCC1 ZINC001455686569 1066424334 /nfs/dbraw/zinc/42/43/34/1066424334.db2.gz IGYLSRSEVRXHGE-FQEVSTJZSA-N 1 0 457.684 4.659 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)CC[N@@H+]1C1CCCC1 ZINC001455702722 1066424890 /nfs/dbraw/zinc/42/48/90/1066424890.db2.gz OAZDDWXOXAMKKS-OAHLLOKOSA-N 1 0 454.924 4.693 20 0 JJADRO Cc1ccc(Br)cc1C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001455713507 1066425532 /nfs/dbraw/zinc/42/55/32/1066425532.db2.gz CINUHSZTHXRYTP-OAQYLSRUSA-N 1 0 457.412 4.701 20 0 JJADRO CC(C)(C)c1ncc(/C=C/C(=O)N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC001455716983 1066426667 /nfs/dbraw/zinc/42/66/67/1066426667.db2.gz LTNDHMHBKZEMRF-LCCNJJIFSA-N 1 0 453.652 4.784 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001361144574 1066426831 /nfs/dbraw/zinc/42/68/31/1066426831.db2.gz JPDLTEHIFJORAL-QFIPXVFZSA-N 1 0 496.725 4.759 20 0 JJADRO Cc1ccc(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001361144610 1066426925 /nfs/dbraw/zinc/42/69/25/1066426925.db2.gz KBHMEVUWHPJDHL-HSZRJFAPSA-N 1 0 454.707 4.786 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CC(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC001361145607 1066428847 /nfs/dbraw/zinc/42/88/47/1066428847.db2.gz CNIADFJADLZHJY-UHFFFAOYSA-N 1 0 462.642 4.918 20 0 JJADRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC001444208328 1066428976 /nfs/dbraw/zinc/42/89/76/1066428976.db2.gz UOJZWJPPBGPVRX-UHFFFAOYSA-N 1 0 453.296 4.763 20 0 JJADRO Cc1c(CN(C)c2nnc(COc3cc(C)ccc3C)n2C[C@H](C2CCCCC2)[NH+](C)C)cnn1C ZINC001361145833 1066430195 /nfs/dbraw/zinc/43/01/95/1066430195.db2.gz KULBPTSCNITCEQ-RUZDIDTESA-N 1 0 493.700 4.663 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCCC1 ZINC001545966269 1066432103 /nfs/dbraw/zinc/43/21/03/1066432103.db2.gz BBHXMMSLCGVUOV-UNMCSNQZSA-N 1 0 485.673 4.619 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC001545966332 1066432223 /nfs/dbraw/zinc/43/22/23/1066432223.db2.gz BYPIKLLGLKBNTD-HSZRJFAPSA-N 1 0 469.674 4.860 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3nccs3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001361148701 1066436575 /nfs/dbraw/zinc/43/65/75/1066436575.db2.gz SYTQPTJJAWZXBR-UHFFFAOYSA-N 1 0 468.671 4.831 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361148767 1066436602 /nfs/dbraw/zinc/43/66/02/1066436602.db2.gz WBNJEUOSXDMWBD-ISKFKSNPSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361148770 1066436690 /nfs/dbraw/zinc/43/66/90/1066436690.db2.gz WBNJEUOSXDMWBD-VWNXMTODSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361148768 1066436758 /nfs/dbraw/zinc/43/67/58/1066436758.db2.gz WBNJEUOSXDMWBD-LADGPHEKSA-N 1 0 483.701 4.847 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001444258848 1066436688 /nfs/dbraw/zinc/43/66/88/1066436688.db2.gz KLDWQYXKSQOTLN-UARRHKHWSA-N 1 0 455.643 4.583 20 0 JJADRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)C2CCC([NH+]3CCOCC3)CC2)c1 ZINC001444259244 1066437653 /nfs/dbraw/zinc/43/76/53/1066437653.db2.gz FJOXFZLUOGRHOD-RMBIHJOLSA-N 1 0 450.623 4.603 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001361149353 1066439336 /nfs/dbraw/zinc/43/93/36/1066439336.db2.gz SAPMXDXBRQMIFG-HSZRJFAPSA-N 1 0 499.700 4.574 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361151378 1066442611 /nfs/dbraw/zinc/44/26/11/1066442611.db2.gz IFZZBJPIDGYRNW-GOTSBHOMSA-N 1 0 469.674 4.598 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361151314 1066442615 /nfs/dbraw/zinc/44/26/15/1066442615.db2.gz GZWNYUFIIZFKAB-KOVSNXQUSA-N 1 0 483.701 4.844 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361151312 1066442679 /nfs/dbraw/zinc/44/26/79/1066442679.db2.gz GZWNYUFIIZFKAB-GXSHZHGVSA-N 1 0 483.701 4.844 20 0 JJADRO Cc1nc2ccccc2c(C)c1C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001444276937 1066442696 /nfs/dbraw/zinc/44/26/96/1066442696.db2.gz ZDXFYMUUFJYGRM-UHFFFAOYSA-N 1 0 456.512 4.552 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001361151552 1066443295 /nfs/dbraw/zinc/44/32/95/1066443295.db2.gz JZELUFHMWISVBX-UHFFFAOYSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361151707 1066443870 /nfs/dbraw/zinc/44/38/70/1066443870.db2.gz DWLTYNYJBMORKB-SMIHKQSGSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361151709 1066443912 /nfs/dbraw/zinc/44/39/12/1066443912.db2.gz DWLTYNYJBMORKB-VXNXHJTFSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361152044 1066445306 /nfs/dbraw/zinc/44/53/06/1066445306.db2.gz HMCFZRJTVYVSKL-MZURWIMNSA-N 1 0 483.701 4.844 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001444300353 1066445363 /nfs/dbraw/zinc/44/53/63/1066445363.db2.gz QIASISMJRTXHSX-AKIFATBCSA-N 1 0 455.643 4.678 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 ZINC001361155116 1066453024 /nfs/dbraw/zinc/45/30/24/1066453024.db2.gz LZARBAHZQKQICC-BKMJKUGQSA-N 1 0 469.674 4.502 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001546077769 1066455800 /nfs/dbraw/zinc/45/58/00/1066455800.db2.gz VUOCEENMCFJEOC-AJTFRIOCSA-N 1 0 453.675 4.819 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001546077772 1066456438 /nfs/dbraw/zinc/45/64/38/1066456438.db2.gz VUOCEENMCFJEOC-WXVAWEFUSA-N 1 0 453.675 4.819 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361156303 1066458154 /nfs/dbraw/zinc/45/81/54/1066458154.db2.gz SEWNOJPHAFKQFY-NKKJXINNSA-N 1 0 469.674 4.600 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 ZINC001444420715 1066461404 /nfs/dbraw/zinc/46/14/04/1066461404.db2.gz ZEUHWFBACFYCLX-UHFFFAOYSA-N 1 0 457.640 4.734 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCO[C@H]2CCCC[C@H]2C)c1 ZINC001361159231 1066463871 /nfs/dbraw/zinc/46/38/71/1066463871.db2.gz SXPAOIOWPQIODV-NOZRDPDXSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCSCC(C)C)c1 ZINC001361159826 1066465125 /nfs/dbraw/zinc/46/51/25/1066465125.db2.gz LJVLZUZWWWFISQ-UHFFFAOYSA-N 1 0 471.715 4.928 20 0 JJADRO CCc1sc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1Br ZINC001455985928 1066467126 /nfs/dbraw/zinc/46/71/26/1066467126.db2.gz OZKHECGQIDDONN-UHFFFAOYSA-N 1 0 454.409 4.995 20 0 JJADRO CC(C)c1nc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)nn1-c1c(Cl)cccc1Cl ZINC001456005884 1066471167 /nfs/dbraw/zinc/47/11/67/1066471167.db2.gz FQPZFQLYAWXDLN-INIZCTEOSA-N 1 0 458.393 4.831 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001361162997 1066471518 /nfs/dbraw/zinc/47/15/18/1066471518.db2.gz JNHNYMDGUBDQBS-FGZHOGPDSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361164045 1066473969 /nfs/dbraw/zinc/47/39/69/1066473969.db2.gz UFILFCMVLJRUDT-IFMALSPDSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSCC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361164021 1066474139 /nfs/dbraw/zinc/47/41/39/1066474139.db2.gz SWLRCZGJCZNHDJ-QFIPXVFZSA-N 1 0 457.688 4.538 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001444566659 1066477185 /nfs/dbraw/zinc/47/71/85/1066477185.db2.gz LSRBPZSPCNIPJF-SIKLNZKXSA-N 1 0 457.640 4.628 20 0 JJADRO Cc1ccc([C@@]2(O)CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C2)cc1 ZINC001361167775 1066481455 /nfs/dbraw/zinc/48/14/55/1066481455.db2.gz WIBBJWHBVYPVDD-GYKHTSFTSA-N 1 0 497.728 4.579 20 0 JJADRO Cc1ccc([C@]2(O)CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C2)cc1 ZINC001361167776 1066481462 /nfs/dbraw/zinc/48/14/62/1066481462.db2.gz WIBBJWHBVYPVDD-IKOOFXLXSA-N 1 0 497.728 4.579 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361169667 1066484269 /nfs/dbraw/zinc/48/42/69/1066484269.db2.gz ITYZRBVFCOHYIO-UGKGYDQZSA-N 1 0 455.578 4.540 20 0 JJADRO CC(C)(C)OC(=O)NCC1(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC001456033111 1066484167 /nfs/dbraw/zinc/48/41/67/1066484167.db2.gz YGSLGXPUSSPFFW-HXUWFJFHSA-N 1 0 450.023 4.506 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C3(Cc4ccccc4Cl)CC3)CC2)c1C ZINC001456037538 1066486347 /nfs/dbraw/zinc/48/63/47/1066486347.db2.gz IDFMCNLIZJQNOR-UHFFFAOYSA-N 1 0 456.030 4.806 20 0 JJADRO Cc1ccc(/C=C\CC(=O)NC2CC[NH+](CCOc3ccc(Br)cc3)CC2)cc1 ZINC001444651569 1066488986 /nfs/dbraw/zinc/48/89/86/1066488986.db2.gz PKPGQNIHAPTYSI-IHWYPQMZSA-N 1 0 457.412 4.820 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2CC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC001361175075 1066491434 /nfs/dbraw/zinc/49/14/34/1066491434.db2.gz BKOAXPNBKXJVMA-KRWDZBQOSA-N 1 0 468.602 4.814 20 0 JJADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC001456051897 1066493930 /nfs/dbraw/zinc/49/39/30/1066493930.db2.gz DAEHEWKIHBXWPW-UHFFFAOYSA-N 1 0 456.993 4.723 20 0 JJADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444692824 1066493945 /nfs/dbraw/zinc/49/39/45/1066493945.db2.gz XJOHLXKIRQQWPR-ILBGXUMGSA-N 1 0 450.623 4.659 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC001456056536 1066496786 /nfs/dbraw/zinc/49/67/86/1066496786.db2.gz POOIRCBVJHTPKE-UHFFFAOYSA-N 1 0 450.501 4.865 20 0 JJADRO CCc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(Br)cc3)no2)cc1 ZINC001456058406 1066497911 /nfs/dbraw/zinc/49/79/11/1066497911.db2.gz RPQNJLUTEIWSAK-UHFFFAOYSA-N 1 0 456.384 4.871 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1csc(-c2ncccc2F)n1 ZINC001456060836 1066498494 /nfs/dbraw/zinc/49/84/94/1066498494.db2.gz UCQNFROLONSEAP-UHFFFAOYSA-N 1 0 452.477 4.567 20 0 JJADRO CC(C)(C)n1cccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1=O ZINC001456060827 1066498587 /nfs/dbraw/zinc/49/85/87/1066498587.db2.gz UCJQPXQLCJSTCX-UHFFFAOYSA-N 1 0 450.410 4.648 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001456062842 1066499565 /nfs/dbraw/zinc/49/95/65/1066499565.db2.gz YTEQVFVHBSMSQZ-UHFFFAOYSA-N 1 0 456.512 4.584 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001545969051 1066502268 /nfs/dbraw/zinc/50/22/68/1066502268.db2.gz PZAONNMXHLBUCM-YKSBVNFPSA-N 1 0 479.591 4.658 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@]2([NH+](C)C)CCSC2)o1 ZINC001361181076 1066502447 /nfs/dbraw/zinc/50/24/47/1066502447.db2.gz PECUYLNPPIRZII-JOCHJYFZSA-N 1 0 479.572 4.939 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001361182855 1066505097 /nfs/dbraw/zinc/50/50/97/1066505097.db2.gz CLKDEJRMXQIJOZ-GOSISDBHSA-N 1 0 487.446 4.761 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC001361184284 1066507181 /nfs/dbraw/zinc/50/71/81/1066507181.db2.gz FAGVDRDLOOXYBP-QUCCMNQESA-N 1 0 490.490 4.611 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546079354 1066508334 /nfs/dbraw/zinc/50/83/34/1066508334.db2.gz KMQKHMZDGMUPBD-IPVFLDMMSA-N 1 0 487.714 4.705 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361188780 1066514075 /nfs/dbraw/zinc/51/40/75/1066514075.db2.gz YJDPJWTUDNVLTH-RTWAWAEBSA-N 1 0 450.631 4.540 20 0 JJADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 ZINC001444858249 1066514138 /nfs/dbraw/zinc/51/41/38/1066514138.db2.gz PTEAVGULDPJPGT-QGZVFWFLSA-N 1 0 458.400 4.505 20 0 JJADRO Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC001361191191 1066517136 /nfs/dbraw/zinc/51/71/36/1066517136.db2.gz JMRSTXOINSQWJP-UHFFFAOYSA-N 1 0 465.642 4.722 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](c4ccccc4)C3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361195563 1066522004 /nfs/dbraw/zinc/52/20/04/1066522004.db2.gz CWWXHKPZWMXUED-ODGPQVTHSA-N 1 0 451.615 4.789 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)[C@@H]4CCCC[C@H]43)n2CCOCC[NH+](C)C)cc1Br ZINC001361196188 1066523338 /nfs/dbraw/zinc/52/33/38/1066523338.db2.gz LIKAPJCXTWBFRR-RCZSKKKRSA-N 1 0 490.490 4.609 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001361196229 1066523403 /nfs/dbraw/zinc/52/34/03/1066523403.db2.gz MESZAINUYBGGSS-LMMKCTJWSA-N 1 0 460.464 4.983 20 0 JJADRO O=C(CC1CCC(c2ccccc2)CC1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001444973067 1066525117 /nfs/dbraw/zinc/52/51/17/1066525117.db2.gz NNKNDIGKOBIFFA-UHFFFAOYSA-N 1 0 453.671 4.581 20 0 JJADRO C[C@H](c1ccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)cc1)N1CCOCC1 ZINC001456158955 1066525649 /nfs/dbraw/zinc/52/56/49/1066525649.db2.gz XOOMEDKHPKDMPT-FCHUYYIVSA-N 1 0 451.611 4.585 20 0 JJADRO Cc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2Cc2cccc(OCC[NH+](C)C)c2)o1 ZINC001361198547 1066527720 /nfs/dbraw/zinc/52/77/20/1066527720.db2.gz WDSVKHFYGAHHAM-UHFFFAOYSA-N 1 0 475.515 4.534 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCCC1 ZINC001545971300 1066527868 /nfs/dbraw/zinc/52/78/68/1066527868.db2.gz VBZKITIVACYOKK-FQEVSTJZSA-N 1 0 469.431 4.613 20 0 JJADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCOc1ccc(F)c(F)c1 ZINC001456181837 1066532018 /nfs/dbraw/zinc/53/20/18/1066532018.db2.gz XEXJHMNBMVGXFS-YIXXDRMTSA-N 1 0 450.529 4.550 20 0 JJADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)cc2)C1 ZINC001445040947 1066532013 /nfs/dbraw/zinc/53/20/13/1066532013.db2.gz AOHWQGNMQCTOGD-DENIHFKCSA-N 1 0 459.631 4.771 20 0 JJADRO C[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445038746 1066532140 /nfs/dbraw/zinc/53/21/40/1066532140.db2.gz XQKNYOSEGCUDMF-ZTCOLXNVSA-N 1 0 451.611 4.621 20 0 JJADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc(Br)cc4cccnc43)cc2)C1 ZINC001445051448 1066534335 /nfs/dbraw/zinc/53/43/35/1066534335.db2.gz UJJQYSGOUQYFSA-MRXNPFEDSA-N 1 0 454.368 4.970 20 0 JJADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001445057593 1066534890 /nfs/dbraw/zinc/53/48/90/1066534890.db2.gz SYKUTUDRXDJEGA-DNVCBOLYSA-N 1 0 458.430 4.844 20 0 JJADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(C(F)(F)F)cn1 ZINC001456200100 1066536286 /nfs/dbraw/zinc/53/62/86/1066536286.db2.gz QXUWLGPTURVOGM-AOYPEHQESA-N 1 0 467.535 4.849 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361205248 1066536516 /nfs/dbraw/zinc/53/65/16/1066536516.db2.gz GXTILMOVORHXRL-IBGZPJMESA-N 1 0 488.677 4.659 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CC(F)(F)F)cc1Br ZINC001361205770 1066537884 /nfs/dbraw/zinc/53/78/84/1066537884.db2.gz RWYJFCVVFVBCBQ-MRXNPFEDSA-N 1 0 486.380 4.891 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001445086799 1066537983 /nfs/dbraw/zinc/53/79/83/1066537983.db2.gz YAYATGGDLGLZAG-NOTUOJBMSA-N 1 0 455.643 4.585 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCOC(C)(C)C)cc1Br ZINC001361207665 1066540919 /nfs/dbraw/zinc/54/09/19/1066540919.db2.gz XBPJNQILVKBTBH-HXUWFJFHSA-N 1 0 490.490 4.896 20 0 JJADRO CCC[N@H+](CC)CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC001445160280 1066541064 /nfs/dbraw/zinc/54/10/64/1066541064.db2.gz NHFPDKGOHGHQMV-UHFFFAOYSA-N 1 0 459.569 4.747 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)o1 ZINC001361209015 1066541797 /nfs/dbraw/zinc/54/17/97/1066541797.db2.gz JNKNLJIHBOOQCO-HXUWFJFHSA-N 1 0 457.644 4.995 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC001361210423 1066543787 /nfs/dbraw/zinc/54/37/87/1066543787.db2.gz JYQKEGYJCDSDTC-UHFFFAOYSA-N 1 0 474.378 4.607 20 0 JJADRO CCc1ccc(-c2nc(C(=O)N(C)CCC3CC[NH+](C4CCN(C)CC4)CC3)cs2)cc1 ZINC001445185658 1066544245 /nfs/dbraw/zinc/54/42/45/1066544245.db2.gz KKBMICNNGCXHQW-UHFFFAOYSA-N 1 0 454.684 4.641 20 0 JJADRO Cc1ccc(-c2noc(CCC(=O)NCc3ccccc3C[NH+]3CCCCCC3)n2)cc1F ZINC001456245582 1066544647 /nfs/dbraw/zinc/54/46/47/1066544647.db2.gz AASPMXITMYJFAV-UHFFFAOYSA-N 1 0 450.558 4.809 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CCCOCC(C)C)o1 ZINC001361211817 1066546044 /nfs/dbraw/zinc/54/60/44/1066546044.db2.gz BBMYAFXGPIJEDT-QHCPKHFHSA-N 1 0 457.663 4.858 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)o1 ZINC001361212781 1066547802 /nfs/dbraw/zinc/54/78/02/1066547802.db2.gz PSQWCXRZXIOZOQ-GMAHTHKFSA-N 1 0 498.716 4.736 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cnnn1-c1cccc(Cl)c1Cl ZINC001456255082 1066547921 /nfs/dbraw/zinc/54/79/21/1066547921.db2.gz MDMCPYCQQYJCTP-UHFFFAOYSA-N 1 0 458.393 4.880 20 0 JJADRO CC(C)[NH+]1CCN(CCC(=O)N(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)CC1 ZINC001445259850 1066549512 /nfs/dbraw/zinc/54/95/12/1066549512.db2.gz JISQQQHKWLVKDL-UHFFFAOYSA-N 1 0 452.470 4.822 20 0 JJADRO CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3CC[NH+](C4CCC(C(C)C)CC4)CC3)[nH]n2)c1C ZINC001445266994 1066549998 /nfs/dbraw/zinc/54/99/98/1066549998.db2.gz DJJLSGWSLYOXBO-OSFYOIPJSA-N 1 0 454.663 4.834 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@@H+](C)C2CCCCC2)o1 ZINC001361214286 1066550022 /nfs/dbraw/zinc/55/00/22/1066550022.db2.gz LZDXXTCLAJUYSI-IBGZPJMESA-N 1 0 469.552 4.659 20 0 JJADRO CC(C)C1CCC([NH+]2CCN(C(=O)c3ccccc3N(C)C(=O)c3cccs3)CC2)CC1 ZINC001445277145 1066551898 /nfs/dbraw/zinc/55/18/98/1066551898.db2.gz XNHHYPSUOBZJPW-UHFFFAOYSA-N 1 0 453.652 4.997 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CCCC3(CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001456274057 1066552226 /nfs/dbraw/zinc/55/22/26/1066552226.db2.gz BZBLFGJGALAZKD-QFIPXVFZSA-N 1 0 455.643 4.775 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2nccs2)cc1Br ZINC001361217451 1066553004 /nfs/dbraw/zinc/55/30/04/1066553004.db2.gz KOPMNNZTSSZLPN-UHFFFAOYSA-N 1 0 489.487 4.831 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1Br ZINC001361218559 1066555153 /nfs/dbraw/zinc/55/51/53/1066555153.db2.gz UWQRJXSSLPPXBF-LJQANCHMSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001445294589 1066555504 /nfs/dbraw/zinc/55/55/04/1066555504.db2.gz SGTVAVMNCUCWTM-UHFFFAOYSA-N 1 0 457.983 4.763 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccccc2OC(C)C)o1 ZINC001361219023 1066555597 /nfs/dbraw/zinc/55/55/97/1066555597.db2.gz ZDMQBSRBMWQQTA-UHFFFAOYSA-N 1 0 451.615 4.993 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCCCCC3)n2CC[NH+]2CCSCC2)cc1Br ZINC001361219087 1066555790 /nfs/dbraw/zinc/55/57/90/1066555790.db2.gz TVUALIPRGXSDRE-UHFFFAOYSA-N 1 0 478.504 4.835 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)[C@H](C)C1 ZINC001456298164 1066557445 /nfs/dbraw/zinc/55/74/45/1066557445.db2.gz FYBYDWHQPKBXBX-UZLBHIALSA-N 1 0 454.011 4.554 20 0 JJADRO COc1cccc2[nH]cc(CC(=O)N(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC(F)(F)F)c21 ZINC001361220464 1066557568 /nfs/dbraw/zinc/55/75/68/1066557568.db2.gz QVSQSYMKCPSKNZ-LJQANCHMSA-N 1 0 459.512 4.632 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@H](C)C1 ZINC001456300291 1066557873 /nfs/dbraw/zinc/55/78/73/1066557873.db2.gz JTHGLMOOMOVXQC-RHSMWYFYSA-N 1 0 456.439 4.984 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)[C@@H](C)C1 ZINC001456304175 1066559508 /nfs/dbraw/zinc/55/95/08/1066559508.db2.gz ROKABWIWYWNWNU-PGRDOPGGSA-N 1 0 455.002 4.546 20 0 JJADRO C[NH+](C)CCCOC1CCN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001445338837 1066559623 /nfs/dbraw/zinc/55/96/23/1066559623.db2.gz OQPMFAGPIMTRRZ-UHFFFAOYSA-N 1 0 456.439 4.619 20 0 JJADRO C[C@@H]1C[N@@H+](CCCCNC(=O)C2(c3ccccc3Br)CCCCC2)C[C@H](C)O1 ZINC001445345678 1066560672 /nfs/dbraw/zinc/56/06/72/1066560672.db2.gz JARJGNNZMGTRKB-KDURUIRLSA-N 1 0 451.449 4.657 20 0 JJADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)c2cc(Cl)ccc2OC2CCCC2)cc1 ZINC001456319468 1066561740 /nfs/dbraw/zinc/56/17/40/1066561740.db2.gz ORWCBRTXCYXIIZ-UHFFFAOYSA-N 1 0 455.986 4.739 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)o1 ZINC001361227004 1066565443 /nfs/dbraw/zinc/56/54/43/1066565443.db2.gz DTFCYEXYMRWRQA-LVXARBLLSA-N 1 0 469.605 4.930 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361227311 1066565982 /nfs/dbraw/zinc/56/59/82/1066565982.db2.gz JWYFEWWQRUDWRP-HXUWFJFHSA-N 1 0 490.490 4.752 20 0 JJADRO COC(=O)c1cc(C)nc2nc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)sc21 ZINC001456356215 1066568959 /nfs/dbraw/zinc/56/89/59/1066568959.db2.gz NVNGYQFZYURMKE-UYAOXDASSA-N 1 0 466.607 4.519 20 0 JJADRO C[NH+](C)[C@@H](CC(=O)N1CC(C)(C)[C@@H]1c1nccn1COCC[Si](C)(C)C)c1ccccc1 ZINC001456359802 1066569790 /nfs/dbraw/zinc/56/97/90/1066569790.db2.gz NPPSNNKKOFDDND-GMAHTHKFSA-N 1 0 456.707 4.798 20 0 JJADRO COc1ccc(COC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001456362990 1066571289 /nfs/dbraw/zinc/57/12/89/1066571289.db2.gz CYEACSYZUHZOFA-OAQYLSRUSA-N 1 0 459.411 4.794 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)[NH+](C)C)o1 ZINC001361234024 1066574766 /nfs/dbraw/zinc/57/47/66/1066574766.db2.gz LCGQPDZHUSRHDM-DNVCBOLYSA-N 1 0 458.404 4.901 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001361235529 1066575762 /nfs/dbraw/zinc/57/57/62/1066575762.db2.gz WEBLKYAFTDLIQQ-BJKOFHAPSA-N 1 0 466.674 4.577 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001361235530 1066575886 /nfs/dbraw/zinc/57/58/86/1066575886.db2.gz WEBLKYAFTDLIQQ-DNQXCXABSA-N 1 0 466.674 4.577 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCCC1 ZINC001545975818 1066578387 /nfs/dbraw/zinc/57/83/87/1066578387.db2.gz ZPHHBNULPBXDAV-INIZCTEOSA-N 1 0 463.449 4.608 20 0 JJADRO CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCCC1 ZINC001545975819 1066578410 /nfs/dbraw/zinc/57/84/10/1066578410.db2.gz ZPHHBNULPBXDAV-MRXNPFEDSA-N 1 0 463.449 4.608 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001456399263 1066578516 /nfs/dbraw/zinc/57/85/16/1066578516.db2.gz MTKAJWDCSVDKBR-CBJLPSGESA-N 1 0 457.659 4.637 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001456399265 1066578630 /nfs/dbraw/zinc/57/86/30/1066578630.db2.gz MTKAJWDCSVDKBR-NEUULRRLSA-N 1 0 457.659 4.637 20 0 JJADRO C[C@@H](CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[N@H+](C)Cc1ccccc1 ZINC001456400600 1066578805 /nfs/dbraw/zinc/57/88/05/1066578805.db2.gz KPPITAKPNHWHBQ-SFHVURJKSA-N 1 0 453.633 4.729 20 0 JJADRO COCCc1ccc(OCCCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001445523111 1066581011 /nfs/dbraw/zinc/58/10/11/1066581011.db2.gz JHPWFTOLDCWVOI-XNMGPUDCSA-N 1 0 450.623 4.548 20 0 JJADRO Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC001361243033 1066584749 /nfs/dbraw/zinc/58/47/49/1066584749.db2.gz HULFXGANHRWYPI-UHFFFAOYSA-N 1 0 480.745 4.721 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001361243122 1066584806 /nfs/dbraw/zinc/58/48/06/1066584806.db2.gz VIRQIFSGVAKDGU-GOEBONIOSA-N 1 0 451.792 4.894 20 0 JJADRO Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001456436460 1066585403 /nfs/dbraw/zinc/58/54/03/1066585403.db2.gz IPDSTFJGPWJMMR-UHFFFAOYSA-N 1 0 453.970 4.668 20 0 JJADRO CC(C)(C)c1ccc([C@@H](O)CCC(=O)N2CCC[N@H+](Cc3ccccc3)CCOCC2)cc1 ZINC001456437380 1066586046 /nfs/dbraw/zinc/58/60/46/1066586046.db2.gz NCPLHWKUQXOWQP-SANMLTNESA-N 1 0 452.639 4.549 20 0 JJADRO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)C2)c1 ZINC001445567002 1066588600 /nfs/dbraw/zinc/58/86/00/1066588600.db2.gz KXYPDCRJCCXPHN-NOZRDPDXSA-N 1 0 453.671 4.659 20 0 JJADRO Cc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001361246117 1066588561 /nfs/dbraw/zinc/58/85/61/1066588561.db2.gz YPFURHUZFUHPDD-DNQXCXABSA-N 1 0 453.675 4.587 20 0 JJADRO CCn1nc(C(F)(F)F)c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C(F)F ZINC001445568852 1066588929 /nfs/dbraw/zinc/58/89/29/1066588929.db2.gz QWOBUXLSANJBES-CQSZACIVSA-N 1 0 450.496 4.976 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC001456450984 1066590459 /nfs/dbraw/zinc/59/04/59/1066590459.db2.gz GIRPFGJDUIXAQN-UHFFFAOYSA-N 1 0 457.368 4.950 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001361250391 1066596723 /nfs/dbraw/zinc/59/67/23/1066596723.db2.gz FXXKAOUGKAQEFV-UHFFFAOYSA-N 1 0 458.336 4.874 20 0 JJADRO COc1ccc2cc(/C=C\C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@H+](C)C4)cc3)ccc2c1 ZINC001456489885 1066597284 /nfs/dbraw/zinc/59/72/84/1066597284.db2.gz NEBSKPBUCCTUDP-FDYWPOKOSA-N 1 0 457.574 4.667 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccccc2)o1 ZINC001361251221 1066598181 /nfs/dbraw/zinc/59/81/81/1066598181.db2.gz JQLUPRNRVRTQTE-UHFFFAOYSA-N 1 0 450.974 4.663 20 0 JJADRO CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@H+](C)C4)cc3)o2)cc1 ZINC001456501090 1066602479 /nfs/dbraw/zinc/60/24/79/1066602479.db2.gz RLYPAGXLIIWFQX-HSZRJFAPSA-N 1 0 459.546 4.568 20 0 JJADRO CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001445699105 1066606433 /nfs/dbraw/zinc/60/64/33/1066606433.db2.gz IZMPLCRZOFEVMR-YXSZYVMUSA-N 1 0 451.438 4.905 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512572 1066607559 /nfs/dbraw/zinc/60/75/59/1066607559.db2.gz XOQKWAQVDQHRTF-OFNKIYASSA-N 1 0 456.428 4.507 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC001361258868 1066609070 /nfs/dbraw/zinc/60/90/70/1066609070.db2.gz HQFVFUNZXYKJRO-WOJBJXKFSA-N 1 0 452.672 4.638 20 0 JJADRO Cc1ccc(CN(C)c2nnc(CCCc3ccccc3)n2CC2([NH+](C)C)CCOCC2)s1 ZINC001361259249 1066609760 /nfs/dbraw/zinc/60/97/60/1066609760.db2.gz WDTRUIBLBCBHAU-UHFFFAOYSA-N 1 0 467.683 4.571 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@H]2C)s1 ZINC001361261062 1066611712 /nfs/dbraw/zinc/61/17/12/1066611712.db2.gz FVDKNRVSEKELLX-HXUWFJFHSA-N 1 0 453.656 4.965 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)o1 ZINC001361261136 1066612489 /nfs/dbraw/zinc/61/24/89/1066612489.db2.gz IUMTWERFJADVHL-FGZHOGPDSA-N 1 0 457.663 4.857 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361261342 1066612897 /nfs/dbraw/zinc/61/28/97/1066612897.db2.gz PQBMDRYYZXMRCS-GOTSBHOMSA-N 1 0 495.668 4.900 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H](c2ccsc2)[NH+](C)C)o1 ZINC001361261283 1066612927 /nfs/dbraw/zinc/61/29/27/1066612927.db2.gz NTRZDCLWCPAMPY-OAQYLSRUSA-N 1 0 469.586 4.898 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)CCc2nc3cc(Br)ccc3s2)C[N@@H+]1Cc1ccccc1 ZINC001445789401 1066617596 /nfs/dbraw/zinc/61/75/96/1066617596.db2.gz JSADIXUMCZJYIN-QAPCUYQASA-N 1 0 458.425 4.771 20 0 JJADRO Cc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC[N@@H+](C(C)C)CC2)cn1 ZINC001361267614 1066619853 /nfs/dbraw/zinc/61/98/53/1066619853.db2.gz NVTNJGJOOICOEN-QHCPKHFHSA-N 1 0 462.642 4.707 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001456553929 1066623739 /nfs/dbraw/zinc/62/37/39/1066623739.db2.gz QQSQWQONPIFDEH-PGRDOPGGSA-N 1 0 452.986 4.834 20 0 JJADRO C[C@@]1(NC(=O)c2cc(Br)ccc2O)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456558365 1066624410 /nfs/dbraw/zinc/62/44/10/1066624410.db2.gz ZHOCWXPQYGYANV-WIOPSUGQSA-N 1 0 465.391 4.943 20 0 JJADRO O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001361277025 1066634975 /nfs/dbraw/zinc/63/49/75/1066634975.db2.gz NMFJQKZJCWJCTC-JGDCTTSNSA-N 1 0 458.046 4.648 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC([NH2+]C(C)C)CC1)Oc1cccc(F)c1 ZINC001545980045 1066639481 /nfs/dbraw/zinc/63/94/81/1066639481.db2.gz NCKBZPVEEZOOKA-JOCHJYFZSA-N 1 0 466.605 4.612 20 0 JJADRO CC[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545980085 1066640425 /nfs/dbraw/zinc/64/04/25/1066640425.db2.gz NZTVYVCRRFJQSA-IBGZPJMESA-N 1 0 495.672 4.697 20 0 JJADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cn(-c2ccccc2Cl)nc1-c1ccc(C)cc1 ZINC001446010714 1066644807 /nfs/dbraw/zinc/64/48/07/1066644807.db2.gz ISTYNMYJVXOQDY-HXUWFJFHSA-N 1 0 455.002 4.588 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(C(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492599598 1066650516 /nfs/dbraw/zinc/65/05/16/1066650516.db2.gz ZFBRRHZZGQWQFD-SZPZYZBQSA-N 1 0 457.663 4.503 20 0 JJADRO CC(C)C[C@H](C)Oc1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)ccn1 ZINC001456636115 1066653519 /nfs/dbraw/zinc/65/35/19/1066653519.db2.gz BRUZHLFNNZGNSU-WDDWZANVSA-N 1 0 472.633 4.822 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(-c2ccc(Br)s2)n1CC[NH+]1CCCC1 ZINC001492600785 1066654536 /nfs/dbraw/zinc/65/45/36/1066654536.db2.gz SHMONHFZBQEEIP-UHFFFAOYSA-N 1 0 490.471 4.689 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001492601767 1066656461 /nfs/dbraw/zinc/65/64/61/1066656461.db2.gz JDNWZIDRQOAASE-FGZHOGPDSA-N 1 0 471.690 4.578 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(Cc2ccsc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492601862 1066657081 /nfs/dbraw/zinc/65/70/81/1066657081.db2.gz JFUKEZCWUVWFTN-IFMALSPDSA-N 1 0 467.683 4.874 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001456646938 1066657408 /nfs/dbraw/zinc/65/74/08/1066657408.db2.gz DIWVZFAZXBVQQH-BOCWGRARSA-N 1 0 477.649 4.808 20 0 JJADRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001456647686 1066657497 /nfs/dbraw/zinc/65/74/97/1066657497.db2.gz GFOIOFGWPHSVOW-VXNXHJTFSA-N 1 0 454.492 4.523 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001456646945 1066657518 /nfs/dbraw/zinc/65/75/18/1066657518.db2.gz DIWVZFAZXBVQQH-FVVBACEJSA-N 1 0 477.649 4.808 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC001492608268 1066669037 /nfs/dbraw/zinc/66/90/37/1066669037.db2.gz WZKIKQVBDWSHPV-QHCPKHFHSA-N 1 0 468.690 4.738 20 0 JJADRO CC1=CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001492609139 1066670548 /nfs/dbraw/zinc/67/05/48/1066670548.db2.gz NAVYEGZWANDLDB-AMGIVPHBSA-N 1 0 467.658 4.605 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC001456707748 1066671436 /nfs/dbraw/zinc/67/14/36/1066671436.db2.gz UFRKRMOMVZNQHM-IERDGZPVSA-N 1 0 458.400 4.504 20 0 JJADRO CC1=CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001492610800 1066672848 /nfs/dbraw/zinc/67/28/48/1066672848.db2.gz IEAUQCFBSYLZCV-DNQXCXABSA-N 1 0 494.684 4.852 20 0 JJADRO CC1=CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001492610946 1066673358 /nfs/dbraw/zinc/67/33/58/1066673358.db2.gz MXIQKLIKONPLHQ-QFIPXVFZSA-N 1 0 486.705 4.814 20 0 JJADRO CC1=CCCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001492613132 1066674860 /nfs/dbraw/zinc/67/48/60/1066674860.db2.gz HWDLEZSZKAPBPT-FQEVSTJZSA-N 1 0 488.474 4.898 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456737052 1066678197 /nfs/dbraw/zinc/67/81/97/1066678197.db2.gz OOEGNEKKBKLHDJ-BJKOFHAPSA-N 1 0 457.659 4.784 20 0 JJADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC001456736001 1066678350 /nfs/dbraw/zinc/67/83/50/1066678350.db2.gz XPJYYIARDZIGFH-VWLOTQADSA-N 1 0 455.646 4.805 20 0 JJADRO C=CC(=O)N1CCC(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)(c2ccccc2)CC1 ZINC001446242711 1066678849 /nfs/dbraw/zinc/67/88/49/1066678849.db2.gz IAEOPVLXBVMROP-UHFFFAOYSA-N 1 0 459.634 4.646 20 0 JJADRO CC1=CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001492615485 1066681683 /nfs/dbraw/zinc/68/16/83/1066681683.db2.gz OIICUXBIDFGSCH-RTBURBONSA-N 1 0 488.474 4.752 20 0 JJADRO CC1=CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001492616358 1066683864 /nfs/dbraw/zinc/68/38/64/1066683864.db2.gz VZHFKLIVHMVXGT-LJQANCHMSA-N 1 0 458.448 4.986 20 0 JJADRO Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC001446277973 1066683938 /nfs/dbraw/zinc/68/39/38/1066683938.db2.gz AZNKPXLOPGUWSC-LVXARBLLSA-N 1 0 450.529 4.553 20 0 JJADRO CCCc1c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774112 1066686968 /nfs/dbraw/zinc/68/69/68/1066686968.db2.gz WIMADDPDDMUVDJ-KSFYIVLOSA-N 1 0 458.031 4.748 20 0 JJADRO CC1=CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001492619715 1066688173 /nfs/dbraw/zinc/68/81/73/1066688173.db2.gz HCRPOZXKHOJLHD-SFTDATJTSA-N 1 0 455.622 4.909 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCC[N@@H+](C)C(C)C)C2)c1 ZINC001492620371 1066689950 /nfs/dbraw/zinc/68/99/50/1066689950.db2.gz DGTDRRVZRHRTQH-YADHBBJMSA-N 1 0 483.636 4.634 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc(-c4ccccc4F)n3CCC[NH+](C(C)C)C(C)C)C2)c1 ZINC001492621233 1066691485 /nfs/dbraw/zinc/69/14/85/1066691485.db2.gz VOFBRNFKHGLOLS-JOCHJYFZSA-N 1 0 467.637 4.940 20 0 JJADRO COc1cc([C@@H](C)NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc2ccccc21 ZINC001456808711 1066697162 /nfs/dbraw/zinc/69/71/62/1066697162.db2.gz IJFZPPFQAMUBCE-LJQANCHMSA-N 1 0 451.998 4.891 20 0 JJADRO COc1cc([C@H](C)NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc2ccccc21 ZINC001456808707 1066697190 /nfs/dbraw/zinc/69/71/90/1066697190.db2.gz IJFZPPFQAMUBCE-IBGZPJMESA-N 1 0 451.998 4.891 20 0 JJADRO CC[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1)[NH+]1CCCC1 ZINC001545985164 1066698503 /nfs/dbraw/zinc/69/85/03/1066698503.db2.gz WHUQJOGBDVOTHU-CTNGQTDRSA-N 1 0 470.628 4.521 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1)[NH+]1CCCC1 ZINC001545986405 1066707954 /nfs/dbraw/zinc/70/79/54/1066707954.db2.gz FMERITCCUKLDIO-YADHBBJMSA-N 1 0 488.721 4.893 20 0 JJADRO Cc1cnc(C2CCN(c3nnc([C@@H]4CCCOC4)n3CCC[NH+](C(C)C)C(C)C)CC2)s1 ZINC001492634068 1066716120 /nfs/dbraw/zinc/71/61/20/1066716120.db2.gz ZWWGNXJDHYUCIZ-JOCHJYFZSA-N 1 0 474.719 4.830 20 0 JJADRO Cc1coc(C)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001492637184 1066722921 /nfs/dbraw/zinc/72/29/21/1066722921.db2.gz MGGMEESKOMNMEP-QFIPXVFZSA-N 1 0 486.661 4.529 20 0 JJADRO Cc1cccc2c1C[C@@H](C(=O)NC1CCC([NH+]3CCC(C)CC3)CC1)N2C(=O)OC(C)(C)C ZINC001446616781 1066726212 /nfs/dbraw/zinc/72/62/12/1066726212.db2.gz PXDUMFQUYDQJBV-VUNKPPBISA-N 1 0 455.643 4.821 20 0 JJADRO Cc1csc([C@@H](C)Cn2c(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)nnc2C(C)(C)C)n1 ZINC001492638436 1066726622 /nfs/dbraw/zinc/72/66/22/1066726622.db2.gz HMJUBBUWJCFXGJ-AZUAARDMSA-N 1 0 452.672 4.855 20 0 JJADRO Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)CCO2)n1 ZINC001492640831 1066732799 /nfs/dbraw/zinc/73/27/99/1066732799.db2.gz FADSRHYENIYQJC-SBHAEUEKSA-N 1 0 488.746 4.966 20 0 JJADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001446707376 1066733067 /nfs/dbraw/zinc/73/30/67/1066733067.db2.gz GFENVQAWWAURBE-UHFFFAOYSA-N 1 0 454.061 4.798 20 0 JJADRO Cc1csc([C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC[N@@H+](C)C(C)C)CCO2)n1 ZINC001492641512 1066734200 /nfs/dbraw/zinc/73/42/00/1066734200.db2.gz MACWQPIRJGRKPJ-JOCHJYFZSA-N 1 0 482.698 4.926 20 0 JJADRO CC(C)(Oc1ccc(F)cc1)C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456988720 1066736481 /nfs/dbraw/zinc/73/64/81/1066736481.db2.gz VDRUXGFTZFTLFK-IBGZPJMESA-N 1 0 452.492 4.896 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C2)n1 ZINC001492642980 1066737805 /nfs/dbraw/zinc/73/78/05/1066737805.db2.gz WSHMTYIMRWKHCL-SLFFLAALSA-N 1 0 474.719 4.612 20 0 JJADRO CCC[C@H]1CN(C(=O)c2cccc(C)c2NC(=O)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001446812323 1066743940 /nfs/dbraw/zinc/74/39/40/1066743940.db2.gz FVRJSKFDNKBUKJ-DEOSSOPVSA-N 1 0 456.590 4.769 20 0 JJADRO CCC[C@@H]1CN(C(=O)c2cccc(C)c2NC(=O)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001446812329 1066744041 /nfs/dbraw/zinc/74/40/41/1066744041.db2.gz FVRJSKFDNKBUKJ-XMMPIXPASA-N 1 0 456.590 4.769 20 0 JJADRO CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)OC1CCCC1)[NH+]1CCCC1 ZINC001545989861 1066745215 /nfs/dbraw/zinc/74/52/15/1066745215.db2.gz LJAZNQHZOPPCMU-OAQYLSRUSA-N 1 0 490.693 4.577 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001492645667 1066747069 /nfs/dbraw/zinc/74/70/69/1066747069.db2.gz DZEDUGJOFCYADX-ROUUACIJSA-N 1 0 489.089 4.888 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccccc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492645868 1066747566 /nfs/dbraw/zinc/74/75/66/1066747566.db2.gz LUMBHMYXKKGPHP-BGYRXZFFSA-N 1 0 453.656 4.839 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccccc2OCC[NH+](C)C)c1 ZINC001492646393 1066749490 /nfs/dbraw/zinc/74/94/90/1066749490.db2.gz GGGGOWZSFDQXSC-HSZRJFAPSA-N 1 0 469.655 4.515 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492647036 1066751025 /nfs/dbraw/zinc/75/10/25/1066751025.db2.gz DLHBAEOJAPBQTN-BGYRXZFFSA-N 1 0 452.672 4.638 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001492647140 1066751043 /nfs/dbraw/zinc/75/10/43/1066751043.db2.gz FXSATUDTNFUOAD-RTBURBONSA-N 1 0 489.636 4.653 20 0 JJADRO Cc1csc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001492649363 1066756456 /nfs/dbraw/zinc/75/64/56/1066756456.db2.gz ZHVHKALFRJIDJH-SFHVURJKSA-N 1 0 475.062 4.805 20 0 JJADRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001457099129 1066761507 /nfs/dbraw/zinc/76/15/07/1066761507.db2.gz UCYDNPJSBPRTML-LEWJYISDSA-N 1 0 457.665 4.814 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CC23CCCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001446987426 1066762330 /nfs/dbraw/zinc/76/23/30/1066762330.db2.gz XFPDAKNEJUNXKO-JOCHJYFZSA-N 1 0 455.643 4.775 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001457103171 1066762969 /nfs/dbraw/zinc/76/29/69/1066762969.db2.gz RSFMGWHJSWVZCR-OXJNMPFZSA-N 1 0 454.368 4.745 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001457103060 1066763118 /nfs/dbraw/zinc/76/31/18/1066763118.db2.gz RNJDZKMDPBYNDH-MZLICYQSSA-N 1 0 451.611 4.913 20 0 JJADRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1OCc1ccccc1 ZINC001446994427 1066763505 /nfs/dbraw/zinc/76/35/05/1066763505.db2.gz FSGMVOXJHZMYNL-JOCHJYFZSA-N 1 0 458.602 4.961 20 0 JJADRO Cc1cscc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001492654491 1066763860 /nfs/dbraw/zinc/76/38/60/1066763860.db2.gz VJEINYHVCXDKOZ-UHFFFAOYSA-N 1 0 478.037 4.703 20 0 JJADRO Cc1cscc1Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492655286 1066765779 /nfs/dbraw/zinc/76/57/79/1066765779.db2.gz GNJYRAZEBKHWDI-UHFFFAOYSA-N 1 0 471.646 4.973 20 0 JJADRO Cc1nc(C)c(CCn2c(C(C)C)nnc2N(C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001492655840 1066767815 /nfs/dbraw/zinc/76/78/15/1066767815.db2.gz ZAFVJUVUUWNRIJ-UHFFFAOYSA-N 1 0 452.672 4.818 20 0 JJADRO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001457128471 1066768277 /nfs/dbraw/zinc/76/82/77/1066768277.db2.gz XJZBXUOGSFQLTG-MRXNPFEDSA-N 1 0 451.995 4.690 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001546087019 1066769727 /nfs/dbraw/zinc/76/97/27/1066769727.db2.gz DHMDYVICJUJMAC-UIOOFZCWSA-N 1 0 471.715 4.685 20 0 JJADRO Cc1nc(C)c(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492657528 1066771405 /nfs/dbraw/zinc/77/14/05/1066771405.db2.gz VJUFUVKYEXTPJN-UHFFFAOYSA-N 1 0 482.698 4.710 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc(Br)ccc3OCc3ccccc3)C[C@H]2C1 ZINC001457143654 1066771949 /nfs/dbraw/zinc/77/19/49/1066771949.db2.gz KCOVBYLWBAFGJT-QKNQBKEWSA-N 1 0 457.412 4.830 20 0 JJADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc(C(F)(F)F)ccc1Br ZINC001447153516 1066778458 /nfs/dbraw/zinc/77/84/58/1066778458.db2.gz MXXMUHFPHQMFOW-UHFFFAOYSA-N 1 0 457.290 4.677 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2CC[NH+]2CCCCCC2)cs1 ZINC001492661212 1066780353 /nfs/dbraw/zinc/78/03/53/1066780353.db2.gz GEKDZLNIMIVLSZ-FQEVSTJZSA-N 1 0 482.698 4.673 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492662134 1066781885 /nfs/dbraw/zinc/78/18/85/1066781885.db2.gz PMCLLRBUVHCITB-KSFYIVLOSA-N 1 0 482.679 4.901 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC001447204183 1066782265 /nfs/dbraw/zinc/78/22/65/1066782265.db2.gz UYNAOKIIGZWHKX-LFYBBSHMSA-N 1 0 456.011 4.776 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2C[C@@H](C)C[NH+]2CCCC2)cs1 ZINC001492662457 1066782384 /nfs/dbraw/zinc/78/23/84/1066782384.db2.gz UBYHGNJWXITKLI-DLBZAZTESA-N 1 0 474.625 4.841 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc4ccccc4o3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001492662820 1066782724 /nfs/dbraw/zinc/78/27/24/1066782724.db2.gz XVCHVCRZNJPMLJ-QGZVFWFLSA-N 1 0 452.628 4.918 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CCC[NH+]2CCCCC2)cs1 ZINC001492662884 1066782746 /nfs/dbraw/zinc/78/27/46/1066782746.db2.gz ZDRFKVJLXDPCNG-SFHVURJKSA-N 1 0 456.635 4.846 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n2CC(C)C)cs1 ZINC001492663766 1066783853 /nfs/dbraw/zinc/78/38/53/1066783853.db2.gz JFZRTJIIRNLVKQ-WMZHIEFXSA-N 1 0 452.672 4.779 20 0 JJADRO COc1ccc(O[C@H](C)CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001457195248 1066785079 /nfs/dbraw/zinc/78/50/79/1066785079.db2.gz IBGALZMTSAWAND-KKVCJECGSA-N 1 0 458.602 4.803 20 0 JJADRO CC(C)C[C@@H](CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)NC(=O)OC(C)(C)C ZINC001447269190 1066786252 /nfs/dbraw/zinc/78/62/52/1066786252.db2.gz ZNWASVAWIFIZII-QHCPKHFHSA-N 1 0 457.659 4.831 20 0 JJADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001457196935 1066786210 /nfs/dbraw/zinc/78/62/10/1066786210.db2.gz HBQVXHWDUBEJBT-UHFFFAOYSA-N 1 0 459.516 4.671 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc4cnccc4c3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001492665369 1066786875 /nfs/dbraw/zinc/78/68/75/1066786875.db2.gz GMYVXWGBUNHVAR-DEOSSOPVSA-N 1 0 477.682 4.795 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cccc(Br)c3)n2CC2([NH+](C)C)CCC2)cs1 ZINC001492665685 1066787736 /nfs/dbraw/zinc/78/77/36/1066787736.db2.gz RIHCIAVNQFPTAB-UHFFFAOYSA-N 1 0 489.487 4.517 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001492666004 1066789077 /nfs/dbraw/zinc/78/90/77/1066789077.db2.gz DNSPVVRSIFPUDO-NRFANRHFSA-N 1 0 474.625 4.669 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2CC[N@H+](C)C2CCCCC2)cs1 ZINC001492666115 1066789839 /nfs/dbraw/zinc/78/98/39/1066789839.db2.gz HQAGIDFDINMMCP-UHFFFAOYSA-N 1 0 474.625 4.813 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492666105 1066790009 /nfs/dbraw/zinc/79/00/09/1066790009.db2.gz HGMDZIJVMQOJHT-HXUWFJFHSA-N 1 0 488.086 4.683 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)c1ccccc1 ZINC001457211810 1066791739 /nfs/dbraw/zinc/79/17/39/1066791739.db2.gz FLAFPWHHRJPHMR-QHCPKHFHSA-N 1 0 456.631 4.561 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCCCCC2)CCO1 ZINC001546088808 1066792489 /nfs/dbraw/zinc/79/24/89/1066792489.db2.gz BPGCGJVERVMKDL-QHCPKHFHSA-N 1 0 476.463 4.589 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3csc(C)n3)n2CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC001492666731 1066794088 /nfs/dbraw/zinc/79/40/88/1066794088.db2.gz GDOGFUMCIMUCOS-KRWDZBQOSA-N 1 0 473.716 4.690 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2CC2CC[NH+](Cc3cccs3)CC2)cs1 ZINC001492668404 1066795999 /nfs/dbraw/zinc/79/59/99/1066795999.db2.gz JPPVVZZDCDXSBG-UHFFFAOYSA-N 1 0 498.644 4.996 20 0 JJADRO C[C@H]1C[C@H](NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001457237560 1066796528 /nfs/dbraw/zinc/79/65/28/1066796528.db2.gz JDKAPOBMRYAYCB-GINFMSJVSA-N 1 0 453.671 4.801 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)COc2ccc(Br)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001457237225 1066796576 /nfs/dbraw/zinc/79/65/76/1066796576.db2.gz HLPNYDDOIIHUBF-CRAIPNDOSA-N 1 0 451.792 4.651 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001492668760 1066796877 /nfs/dbraw/zinc/79/68/77/1066796877.db2.gz WVDPREKVPWEZFX-QFIPXVFZSA-N 1 0 470.662 4.572 20 0 JJADRO CS[C@@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCCC1 ZINC001447358364 1066797410 /nfs/dbraw/zinc/79/74/10/1066797410.db2.gz AEZXLVZWYJLYPP-FCHUYYIVSA-N 1 0 455.624 4.839 20 0 JJADRO O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001457254899 1066798131 /nfs/dbraw/zinc/79/81/31/1066798131.db2.gz XJKHZCYAWGNTDE-HMBVCUQOSA-N 1 0 479.549 4.625 20 0 JJADRO Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492670492 1066800637 /nfs/dbraw/zinc/80/06/37/1066800637.db2.gz VVBIGANZKZUQGF-KDURUIRLSA-N 1 0 460.692 4.702 20 0 JJADRO Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492670869 1066800804 /nfs/dbraw/zinc/80/08/04/1066800804.db2.gz LYWYZOLQXNJNCH-UXHICEINSA-N 1 0 482.698 4.548 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492673618 1066807339 /nfs/dbraw/zinc/80/73/39/1066807339.db2.gz YFIVSTVVCVDEPW-ZCNNSNEGSA-N 1 0 458.720 4.874 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001492676002 1066811480 /nfs/dbraw/zinc/81/14/80/1066811480.db2.gz RGCIFQLSIAQOAZ-LVCYWYKZSA-N 1 0 485.529 4.630 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001492676000 1066811562 /nfs/dbraw/zinc/81/15/62/1066811562.db2.gz RGCIFQLSIAQOAZ-BBTUJRGHSA-N 1 0 485.529 4.630 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001546089519 1066812465 /nfs/dbraw/zinc/81/24/65/1066812465.db2.gz QSCKACYTBSQDPK-AXHZCLLHSA-N 1 0 490.490 4.833 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cs1 ZINC001492676466 1066813696 /nfs/dbraw/zinc/81/36/96/1066813696.db2.gz GKFJAOPAJOEIEE-QUCCMNQESA-N 1 0 466.646 4.626 20 0 JJADRO CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1)OC ZINC001545996884 1066816853 /nfs/dbraw/zinc/81/68/53/1066816853.db2.gz FYSOKWSMXZMKMT-QHCPKHFHSA-N 1 0 460.066 4.650 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(F)(F)c2ccccc2)cs1 ZINC001492678238 1066817642 /nfs/dbraw/zinc/81/76/42/1066817642.db2.gz UUFDWDSIEMNGAY-UHFFFAOYSA-N 1 0 474.625 4.736 20 0 JJADRO C[NH+]1CCN(c2ccc(CCNC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)CC1 ZINC001457365783 1066817737 /nfs/dbraw/zinc/81/77/37/1066817737.db2.gz WGNBULKSVFZWRL-UHFFFAOYSA-N 1 0 451.655 4.712 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](C)Oc2ccccc2F)cs1 ZINC001492678579 1066818708 /nfs/dbraw/zinc/81/87/08/1066818708.db2.gz ZOCAVJSZWAQFSB-SFHVURJKSA-N 1 0 486.661 4.551 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492678471 1066818786 /nfs/dbraw/zinc/81/87/86/1066818786.db2.gz YDKMZOCVDBWKCG-AUSIDOKSSA-N 1 0 452.672 4.779 20 0 JJADRO CC(C)([C@H](NC(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001447550555 1066820339 /nfs/dbraw/zinc/82/03/39/1066820339.db2.gz BOHVHXOVKCQJPM-JOCHJYFZSA-N 1 0 456.537 4.594 20 0 JJADRO CC(C)([C@@H](NC(=O)c1ccc(Br)cc1O)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001447550770 1066820663 /nfs/dbraw/zinc/82/06/63/1066820663.db2.gz CHCZDMLOSGEWKK-IBGZPJMESA-N 1 0 453.327 4.778 20 0 JJADRO Cc1cc(Br)c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1Br ZINC001457393008 1066821412 /nfs/dbraw/zinc/82/14/12/1066821412.db2.gz DXFQJGMDVORLOK-UHFFFAOYSA-N 1 0 458.169 4.521 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)c2ccccc2F)cs1 ZINC001492680486 1066823059 /nfs/dbraw/zinc/82/30/59/1066823059.db2.gz PGULRVYNINCJEP-UHFFFAOYSA-N 1 0 470.662 4.671 20 0 JJADRO CCCOc1nc2ccccc2cc1/C=C\C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC001447569345 1066823315 /nfs/dbraw/zinc/82/33/15/1066823315.db2.gz RGDZLANNARPSPX-SEYXRHQNSA-N 1 0 459.590 4.805 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492682325 1066824738 /nfs/dbraw/zinc/82/47/38/1066824738.db2.gz VEOSBILXRLXSBY-GBXCKJPGSA-N 1 0 496.725 4.796 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492682328 1066824927 /nfs/dbraw/zinc/82/49/27/1066824927.db2.gz VEOSBILXRLXSBY-YKSBVNFPSA-N 1 0 496.725 4.796 20 0 JJADRO C[C@H](CCNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)[N@H+](C)Cc1ccccc1 ZINC001457420554 1066827280 /nfs/dbraw/zinc/82/72/80/1066827280.db2.gz DSDSNIXOFJEGPR-JOCHJYFZSA-N 1 0 457.618 4.719 20 0 JJADRO COc1ccc(C(=O)Nc2ccc(C(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)s2)cc1 ZINC001457421181 1066828105 /nfs/dbraw/zinc/82/81/05/1066828105.db2.gz HPSFMMANOWMFTB-GOSISDBHSA-N 1 0 451.592 4.649 20 0 JJADRO C[C@H](CCNC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001457424955 1066829172 /nfs/dbraw/zinc/82/91/72/1066829172.db2.gz VVSZPRHFEGNZSM-AZOUXBGGSA-N 1 0 457.659 4.829 20 0 JJADRO Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)(C)C)CC2)cs1 ZINC001492686546 1066831344 /nfs/dbraw/zinc/83/13/44/1066831344.db2.gz DFIGLQHESJHEOW-HXUWFJFHSA-N 1 0 482.698 4.963 20 0 JJADRO Cc1nc(CCn2c(COc3ccc(F)cc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cs1 ZINC001492691364 1066836903 /nfs/dbraw/zinc/83/69/03/1066836903.db2.gz GYIQFNGCBMMHEJ-UHFFFAOYSA-N 1 0 486.661 4.562 20 0 JJADRO Cc1nc2ccccc2n1C1CCN(c2nnc(CC(C)C)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001492694002 1066839409 /nfs/dbraw/zinc/83/94/09/1066839409.db2.gz ATFLAHGQWUFZSS-QHCPKHFHSA-N 1 0 465.690 4.953 20 0 JJADRO CC[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCCC1 ZINC001545998841 1066839895 /nfs/dbraw/zinc/83/98/95/1066839895.db2.gz CDKQANJIYORCEF-QFIPXVFZSA-N 1 0 483.458 4.537 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc(CC(C)C)n2CC[N@H+](C)Cc2ccc(F)cc2)cs1 ZINC001492694164 1066839916 /nfs/dbraw/zinc/83/99/16/1066839916.db2.gz BRRFTLZZPYDAOS-JOCHJYFZSA-N 1 0 456.635 4.854 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001492694319 1066839983 /nfs/dbraw/zinc/83/99/83/1066839983.db2.gz IXZYOCIVWJSHCS-OAQYLSRUSA-N 1 0 475.062 4.957 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCCC(C)(C)C2)s1 ZINC001492695774 1066843526 /nfs/dbraw/zinc/84/35/26/1066843526.db2.gz NCFVRQXNTKSPNA-UHFFFAOYSA-N 1 0 460.051 4.517 20 0 JJADRO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC001447714963 1066845856 /nfs/dbraw/zinc/84/58/56/1066845856.db2.gz SLGQOZDRMJTIBV-HNAYVOBHSA-N 1 0 458.430 4.844 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC001492697619 1066849764 /nfs/dbraw/zinc/84/97/64/1066849764.db2.gz ANICCLWSQMAPMZ-QUCCMNQESA-N 1 0 452.672 4.699 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC001492698203 1066850396 /nfs/dbraw/zinc/85/03/96/1066850396.db2.gz PRXYGSOEWSURJP-KRWDZBQOSA-N 1 0 474.625 4.670 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)s1 ZINC001492698452 1066851831 /nfs/dbraw/zinc/85/18/31/1066851831.db2.gz XZDDNMUDJJMOEH-OAQYLSRUSA-N 1 0 456.635 4.530 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)CC(=O)c3ccccc3F)c(OCC)c2)CC1 ZINC001447801931 1066861530 /nfs/dbraw/zinc/86/15/30/1066861530.db2.gz JEJNAZNFKGLFHS-LJQANCHMSA-N 1 0 455.574 4.604 20 0 JJADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)[NH+](C)C ZINC001447812304 1066865078 /nfs/dbraw/zinc/86/50/78/1066865078.db2.gz DGACETAHZYQCIE-IIBYNOLFSA-N 1 0 457.500 4.969 20 0 JJADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001447829932 1066866197 /nfs/dbraw/zinc/86/61/97/1066866197.db2.gz NPTQSCQFFPSBIW-UHFFFAOYSA-N 1 0 459.700 4.956 20 0 JJADRO Cc1nccn1-c1ccc(Cn2c(N3CCC(C[N@@H+](C)C(C)C)CC3)nnc2C(C)(C)C)cc1F ZINC001492705903 1066866904 /nfs/dbraw/zinc/86/69/04/1066866904.db2.gz VWMVITQZTBSXGS-UHFFFAOYSA-N 1 0 481.664 4.814 20 0 JJADRO CCO[C@@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C)C1CCOCC1 ZINC001457615076 1066879056 /nfs/dbraw/zinc/87/90/56/1066879056.db2.gz XCCHJMRGLCQFTI-FGZHOGPDSA-N 1 0 459.458 4.740 20 0 JJADRO Cc1nccnc1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001492713869 1066880139 /nfs/dbraw/zinc/88/01/39/1066880139.db2.gz YSQWXTZXLXVIBX-UHFFFAOYSA-N 1 0 461.658 4.551 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc4ccc(Br)cc4c3)nc2)CC1 ZINC001457626175 1066884438 /nfs/dbraw/zinc/88/44/38/1066884438.db2.gz QMHSQRUHPCBZIB-UHFFFAOYSA-N 1 0 453.384 4.780 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492718246 1066886720 /nfs/dbraw/zinc/88/67/20/1066886720.db2.gz YDOPELCHOGXPLI-HSZRJFAPSA-N 1 0 470.065 4.706 20 0 JJADRO CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001546001867 1066886892 /nfs/dbraw/zinc/88/68/92/1066886892.db2.gz VHWFKHXMGVYQHX-CVDCTZTESA-N 1 0 452.672 4.748 20 0 JJADRO O=C(C1C[NH+](C2CCCCC2)C1)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC001447981512 1066888076 /nfs/dbraw/zinc/88/80/76/1066888076.db2.gz KMHAUJSAJYBZDF-XMMPIXPASA-N 1 0 458.549 4.615 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC001457646311 1066890375 /nfs/dbraw/zinc/89/03/75/1066890375.db2.gz IHKAKNRSVFUDAC-NRFANRHFSA-N 1 0 456.030 4.551 20 0 JJADRO Cc1nn(C)c(C)c1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001492721073 1066892290 /nfs/dbraw/zinc/89/22/90/1066892290.db2.gz KWDFURDFLHCCPQ-UHFFFAOYSA-N 1 0 493.700 4.735 20 0 JJADRO CO[C@@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccccc1Br ZINC001448060067 1066895266 /nfs/dbraw/zinc/89/52/66/1066895266.db2.gz DKVASPFYKOVNEF-ZWKOTPCHSA-N 1 0 459.306 4.575 20 0 JJADRO CN(C)c1cc(Br)cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC001448068508 1066895821 /nfs/dbraw/zinc/89/58/21/1066895821.db2.gz QSINLEUBQXCBLY-SFHVURJKSA-N 1 0 458.322 4.567 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)c1cccc(C(F)(F)F)c1 ZINC001448072332 1066896849 /nfs/dbraw/zinc/89/68/49/1066896849.db2.gz YTTBJVSRGWEUEN-PZJWPPBQSA-N 1 0 453.892 4.661 20 0 JJADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448072941 1066896950 /nfs/dbraw/zinc/89/69/50/1066896950.db2.gz ZUZAREYGLQYHFY-ACJLOTCBSA-N 1 0 459.306 4.654 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2)n1 ZINC001492729052 1066898712 /nfs/dbraw/zinc/89/87/12/1066898712.db2.gz SPHSCXLXRYJVGA-PQNGQFLHSA-N 1 0 469.722 4.989 20 0 JJADRO Cc1nn(Cc2ccccc2)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001492730970 1066901484 /nfs/dbraw/zinc/90/14/84/1066901484.db2.gz ILAPAKOHTOAIEK-UHFFFAOYSA-N 1 0 477.701 4.697 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccc(F)cc3)[NH+](C)C)C2)n1 ZINC001492731224 1066902036 /nfs/dbraw/zinc/90/20/36/1066902036.db2.gz ODYHXSANTYOWIE-ZEQRLZLVSA-N 1 0 481.664 4.964 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001492732503 1066903811 /nfs/dbraw/zinc/90/38/11/1066903811.db2.gz QCEAXIVFSNFESF-FQEVSTJZSA-N 1 0 485.627 4.880 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001492732561 1066905551 /nfs/dbraw/zinc/90/55/51/1066905551.db2.gz RKLRSKOQNFUVDA-CTNGQTDRSA-N 1 0 455.676 4.663 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001492733892 1066907531 /nfs/dbraw/zinc/90/75/31/1066907531.db2.gz VTBPKPKUQCZYCH-VPIOZFHQSA-N 1 0 455.695 4.665 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492733927 1066907762 /nfs/dbraw/zinc/90/77/62/1066907762.db2.gz WUVFPDQZDSHSJG-QPPBQGQZSA-N 1 0 455.695 4.667 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3F)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001492736899 1066912082 /nfs/dbraw/zinc/91/20/82/1066912082.db2.gz XSRMKDUSYSDVJU-UHFFFAOYSA-N 1 0 467.637 4.570 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)CCC[C@H]12 ZINC001448232597 1066912295 /nfs/dbraw/zinc/91/22/95/1066912295.db2.gz CDHCLSCSBDCCHU-UMTXDNHDSA-N 1 0 455.643 4.583 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CC=CCC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492737678 1066912864 /nfs/dbraw/zinc/91/28/64/1066912864.db2.gz BCHDLVDJLYDNED-FBLLAGFSSA-N 1 0 467.706 4.690 20 0 JJADRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001457773459 1066916040 /nfs/dbraw/zinc/91/60/40/1066916040.db2.gz NOSHOVYGEUYZQC-XMMPIXPASA-N 1 0 452.561 4.817 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001492741043 1066916578 /nfs/dbraw/zinc/91/65/78/1066916578.db2.gz QOYLBWXEFYKNRP-UHFFFAOYSA-N 1 0 469.703 4.738 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492741156 1066916748 /nfs/dbraw/zinc/91/67/48/1066916748.db2.gz UKOWOCOSEITSMQ-SFTDATJTSA-N 1 0 483.730 4.984 20 0 JJADRO C[NH+](C)Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)c1 ZINC001448354436 1066918994 /nfs/dbraw/zinc/91/89/94/1066918994.db2.gz NHCQCBGENMAMOP-QFIPXVFZSA-N 1 0 458.002 4.836 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001492746107 1066921683 /nfs/dbraw/zinc/92/16/83/1066921683.db2.gz HWSXKSYCIAVVAN-UHFFFAOYSA-N 1 0 480.488 4.694 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CC(C)(C)C(F)(F)F)n1 ZINC001492746409 1066921754 /nfs/dbraw/zinc/92/17/54/1066921754.db2.gz RSBNFAFEAOKRRA-UHFFFAOYSA-N 1 0 495.638 4.821 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H](c2cccnc2)C(C)C)n1 ZINC001492746524 1066922082 /nfs/dbraw/zinc/92/20/82/1066922082.db2.gz VUMONMHCDDBNIB-AREMUKBSSA-N 1 0 492.716 4.531 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492748880 1066923452 /nfs/dbraw/zinc/92/34/52/1066923452.db2.gz QASAOGJOTVQRRD-RPWUZVMVSA-N 1 0 455.695 4.523 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCCC(C)(C)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001492749159 1066923911 /nfs/dbraw/zinc/92/39/11/1066923911.db2.gz VKYNYHGDALAZRT-QFIPXVFZSA-N 1 0 463.674 4.677 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492751234 1066925854 /nfs/dbraw/zinc/92/58/54/1066925854.db2.gz VGIRZPRJUWNFNF-UXHICEINSA-N 1 0 481.611 4.744 20 0 JJADRO CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)OC ZINC001546005939 1066926192 /nfs/dbraw/zinc/92/61/92/1066926192.db2.gz MBVAREGNIRWBNP-QLBJFCOMSA-N 1 0 453.675 4.579 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492751370 1066926245 /nfs/dbraw/zinc/92/62/45/1066926245.db2.gz ZJKMHCFQCQNWDJ-ACRUOGEOSA-N 1 0 455.695 4.523 20 0 JJADRO CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC001546005940 1066926395 /nfs/dbraw/zinc/92/63/95/1066926395.db2.gz MBVAREGNIRWBNP-ZKMPZPQNSA-N 1 0 453.675 4.579 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc4c3OCCN(C(=O)OC(C)(C)C)C4)ccc21 ZINC001457826514 1066929052 /nfs/dbraw/zinc/92/90/52/1066929052.db2.gz SFAPVQZSCPKLDC-QFIPXVFZSA-N 1 0 451.567 4.617 20 0 JJADRO Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001448465233 1066930351 /nfs/dbraw/zinc/93/03/51/1066930351.db2.gz LORWCKCBNHSEKQ-QPPBQGQZSA-N 1 0 451.517 4.568 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)n1 ZINC001492759111 1066930453 /nfs/dbraw/zinc/93/04/53/1066930453.db2.gz WNCLKNYTCNBPSO-QHCPKHFHSA-N 1 0 469.722 4.717 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC001492758717 1066931314 /nfs/dbraw/zinc/93/13/14/1066931314.db2.gz LJQMAXINLIMDRZ-SZPZYZBQSA-N 1 0 483.749 4.963 20 0 JJADRO Cc1ccc(-c2cc(C(=O)NC[C@H](C)C[NH+](C)C)c3sc(N4CCCCC4)nc3n2)cc1 ZINC001457846567 1066931440 /nfs/dbraw/zinc/93/14/40/1066931440.db2.gz QLYMRVKFBQTVRM-SFHVURJKSA-N 1 0 451.640 4.585 20 0 JJADRO O=C(Nc1cccc(NCC(F)(F)F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001448488365 1066932258 /nfs/dbraw/zinc/93/22/58/1066932258.db2.gz UGWQHHWZRIZFMY-WOJBJXKFSA-N 1 0 460.525 4.972 20 0 JJADRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3c(F)c(F)c(Br)c(F)c3F)c2)C1 ZINC001457881557 1066935321 /nfs/dbraw/zinc/93/53/21/1066935321.db2.gz WQXNPSMSDYHWAR-ZDUSSCGKSA-N 1 0 459.281 4.745 20 0 JJADRO CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001546008419 1066946251 /nfs/dbraw/zinc/94/62/51/1066946251.db2.gz QLUOJXPUFBNKQE-QNWVGRARSA-N 1 0 490.092 4.740 20 0 JJADRO Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492775970 1066946529 /nfs/dbraw/zinc/94/65/29/1066946529.db2.gz NLNBNWSPOCDNOG-RBUKOAKNSA-N 1 0 466.424 4.860 20 0 JJADRO Cc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001492776877 1066947015 /nfs/dbraw/zinc/94/70/15/1066947015.db2.gz JASLSULXDZHFOY-QAPCUYQASA-N 1 0 495.981 4.530 20 0 JJADRO Cc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492783474 1066948677 /nfs/dbraw/zinc/94/86/77/1066948677.db2.gz FASJQYHXMAXWKN-JQOLTRQRSA-N 1 0 453.675 4.947 20 0 JJADRO Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492785830 1066949148 /nfs/dbraw/zinc/94/91/48/1066949148.db2.gz WWFGFMYLFPGWKL-IZZNHLLZSA-N 1 0 453.675 4.949 20 0 JJADRO Cc1nnc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492787957 1066949533 /nfs/dbraw/zinc/94/95/33/1066949533.db2.gz FYUPYHGKJFMSGM-VWLOTQADSA-N 1 0 457.638 4.669 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)c1cc(Br)ncc1Cl)c1cccc(C(F)(F)F)c1 ZINC001457973778 1066950271 /nfs/dbraw/zinc/95/02/71/1066950271.db2.gz LLLJDBWYRYYVCK-AWEZNQCLSA-N 1 0 450.686 4.549 20 0 JJADRO Cc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001492803572 1066952929 /nfs/dbraw/zinc/95/29/29/1066952929.db2.gz FPKHZWJPJIPDJF-UHFFFAOYSA-N 1 0 466.699 4.932 20 0 JJADRO Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001492799791 1066952971 /nfs/dbraw/zinc/95/29/71/1066952971.db2.gz NVPICRJCXUYVKZ-LJQANCHMSA-N 1 0 470.662 4.600 20 0 JJADRO Cc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001492803634 1066953003 /nfs/dbraw/zinc/95/30/03/1066953003.db2.gz HOLMTEKJJIZCAV-UHFFFAOYSA-N 1 0 475.685 4.655 20 0 JJADRO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1Cc1ccsc1Br ZINC001492804232 1066953341 /nfs/dbraw/zinc/95/33/41/1066953341.db2.gz GTQYNVJNHHFWIF-MRXNPFEDSA-N 1 0 466.493 4.940 20 0 JJADRO Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492803855 1066953527 /nfs/dbraw/zinc/95/35/27/1066953527.db2.gz BHQIZDGRBMBASN-FQRUVTKNSA-N 1 0 476.710 4.570 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)COc1ccc(Cl)cc1Br ZINC001457991573 1066953612 /nfs/dbraw/zinc/95/36/12/1066953612.db2.gz HDMRYBIUCWJRGB-HZPDHXFCSA-N 1 0 451.792 4.603 20 0 JJADRO Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001492805077 1066954328 /nfs/dbraw/zinc/95/43/28/1066954328.db2.gz YKFGVZLTGUOQRY-HXUWFJFHSA-N 1 0 484.689 4.799 20 0 JJADRO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001492832073 1066955352 /nfs/dbraw/zinc/95/53/52/1066955352.db2.gz YWJHJKMWZPXQTG-NRFANRHFSA-N 1 0 482.673 4.864 20 0 JJADRO Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492845114 1066957034 /nfs/dbraw/zinc/95/70/34/1066957034.db2.gz WEBOOQNLTKYISG-QGZVFWFLSA-N 1 0 458.598 4.955 20 0 JJADRO Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCc1cc(Br)ccc1F ZINC001492846318 1066957132 /nfs/dbraw/zinc/95/71/32/1066957132.db2.gz FLDKQKAKMKKBHP-LJQANCHMSA-N 1 0 478.454 4.823 20 0 JJADRO COC(=O)c1cc(F)c(C)c(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001458045126 1066959936 /nfs/dbraw/zinc/95/99/36/1066959936.db2.gz QMVINEMKWFMQRQ-WOJBJXKFSA-N 1 0 453.535 4.803 20 0 JJADRO Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001492940695 1066960338 /nfs/dbraw/zinc/96/03/38/1066960338.db2.gz CDHUPMXOOHOEGI-QFIPXVFZSA-N 1 0 476.463 4.583 20 0 JJADRO CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001546009891 1066960421 /nfs/dbraw/zinc/96/04/21/1066960421.db2.gz AZDJNVJGEOQKIR-NRFANRHFSA-N 1 0 494.709 4.774 20 0 JJADRO CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001546009906 1066960817 /nfs/dbraw/zinc/96/08/17/1066960817.db2.gz BGCZRMYHQBWTET-WOJBJXKFSA-N 1 0 465.564 4.819 20 0 JJADRO C[C@@H]1C[C@@H](CCNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C[N@@H+]1Cc1ccccc1 ZINC001458054310 1066962611 /nfs/dbraw/zinc/96/26/11/1066962611.db2.gz BOXJGIBKCFDOTR-UYAOXDASSA-N 1 0 456.512 4.922 20 0 JJADRO O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC001545697213 1066963522 /nfs/dbraw/zinc/96/35/22/1066963522.db2.gz FKMKWYURTAFFLI-XMMPIXPASA-N 1 0 459.565 4.649 20 0 JJADRO CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001546010083 1066965141 /nfs/dbraw/zinc/96/51/41/1066965141.db2.gz FGBLFGLZJNDJSU-ISKFKSNPSA-N 1 0 471.715 4.926 20 0 JJADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(CC)[C@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702468 1066965170 /nfs/dbraw/zinc/96/51/70/1066965170.db2.gz DADDWUBJKSBORR-YKSBVNFPSA-N 1 0 452.595 4.547 20 0 JJADRO CC[C@@H](C)NC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001545705552 1066966689 /nfs/dbraw/zinc/96/66/89/1066966689.db2.gz BXKYAAYRVYHCHK-JOCHJYFZSA-N 1 0 498.741 4.638 20 0 JJADRO CC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)OC ZINC001546010354 1066968101 /nfs/dbraw/zinc/96/81/01/1066968101.db2.gz KJEAOMZACRNCAY-XZOQPEGZSA-N 1 0 469.674 4.779 20 0 JJADRO CCc1cccc2c(CC(=O)Nc3ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c3)c[nH]c21 ZINC001458079272 1066969177 /nfs/dbraw/zinc/96/91/77/1066969177.db2.gz WSJCWTYRPFLUIR-UHFFFAOYSA-N 1 0 455.002 4.637 20 0 JJADRO O=C(NCCOc1ncccc1C(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001458094073 1066972871 /nfs/dbraw/zinc/97/28/71/1066972871.db2.gz SWYJYDVUMBNMGL-LEWJYISDSA-N 1 0 461.528 4.534 20 0 JJADRO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545719818 1066973944 /nfs/dbraw/zinc/97/39/44/1066973944.db2.gz MVIZUSARJWUZTF-NGKAZNDSSA-N 1 0 494.728 4.968 20 0 JJADRO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545719819 1066973978 /nfs/dbraw/zinc/97/39/78/1066973978.db2.gz MVIZUSARJWUZTF-YLKGPAFFSA-N 1 0 494.728 4.968 20 0 JJADRO CC[C@@H](c1nnc(N(C)[C@H]2CCSC2)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545720474 1066974952 /nfs/dbraw/zinc/97/49/52/1066974952.db2.gz XQHAPYFMUVJLFI-LEWJYISDSA-N 1 0 459.729 4.589 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545722606 1066978658 /nfs/dbraw/zinc/97/86/58/1066978658.db2.gz XISNXZMQXNJQTC-JTHBVZDNSA-N 1 0 495.741 4.542 20 0 JJADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@H](Sc3ccccc3F)c3ccccc3)nc2)C1 ZINC001458111480 1066979098 /nfs/dbraw/zinc/97/90/98/1066979098.db2.gz PZLLFZMAZQVUOF-GBXCKJPGSA-N 1 0 450.583 4.833 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCCOC2)n1CCC1CC[NH+](CC)CC1)c1ccccc1 ZINC001545723725 1066979518 /nfs/dbraw/zinc/97/95/18/1066979518.db2.gz DYKXKOVCRNTXIJ-UKILVPOCSA-N 1 0 453.675 4.805 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccccc1 ZINC001545724020 1066979888 /nfs/dbraw/zinc/97/98/88/1066979888.db2.gz KPQRNXQRTXESAD-NXNHFINNSA-N 1 0 494.728 4.635 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545724735 1066981504 /nfs/dbraw/zinc/98/15/04/1066981504.db2.gz WCBWOCPSVAZCLF-VXKWHMMOSA-N 1 0 484.092 4.964 20 0 JJADRO Cc1ccc(-c2noc([C@H](C)NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)cc1F ZINC001545725580 1066982212 /nfs/dbraw/zinc/98/22/12/1066982212.db2.gz YTBKYFSUPJLLHT-QFBILLFUSA-N 1 0 458.484 4.519 20 0 JJADRO CC[C@@H](c1nnc(N(CC)C[C@H]2CCCO2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545728070 1066985073 /nfs/dbraw/zinc/98/50/73/1066985073.db2.gz FJJGPPDCRQACIJ-DNQXCXABSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1=O ZINC001449165170 1066986601 /nfs/dbraw/zinc/98/66/01/1066986601.db2.gz QFTNTQVAMYDBLQ-JBACZVJFSA-N 1 0 456.030 4.668 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)s1 ZINC001449178099 1066987868 /nfs/dbraw/zinc/98/78/68/1066987868.db2.gz SGQALRKFHNIOIF-KNQAVFIVSA-N 1 0 457.640 4.603 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545731153 1066989681 /nfs/dbraw/zinc/98/96/81/1066989681.db2.gz KVQNTSRGPOKKLP-GRSYGWAWSA-N 1 0 471.715 4.651 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546012141 1066990099 /nfs/dbraw/zinc/99/00/99/1066990099.db2.gz CFSIEFCVRZLELH-GMAHTHKFSA-N 1 0 473.637 4.655 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545731333 1066990619 /nfs/dbraw/zinc/99/06/19/1066990619.db2.gz MVXHLOYAQAANLV-NEUULRRLSA-N 1 0 498.716 4.900 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545731755 1066991570 /nfs/dbraw/zinc/99/15/70/1066991570.db2.gz SFQYYQMUKVUPDM-VURPSTOHSA-N 1 0 467.580 4.706 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1cnc(C)s1)[NH+]1CCCC1 ZINC001546012294 1066991859 /nfs/dbraw/zinc/99/18/59/1066991859.db2.gz GBIRTYGORYOHAD-OAQYLSRUSA-N 1 0 468.671 4.750 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545731993 1066992508 /nfs/dbraw/zinc/99/25/08/1066992508.db2.gz VZEOAWDKIIQYQH-YFNKSVMNSA-N 1 0 453.675 4.682 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545731991 1066992520 /nfs/dbraw/zinc/99/25/20/1066992520.db2.gz VZEOAWDKIIQYQH-OEMFJLHTSA-N 1 0 453.675 4.682 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545731951 1066992589 /nfs/dbraw/zinc/99/25/89/1066992589.db2.gz VOQOHMGISFNWMM-XFGYDDDFSA-N 1 0 482.698 4.951 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731966 1066992654 /nfs/dbraw/zinc/99/26/54/1066992654.db2.gz VSJSNBRKSCFLEJ-AOHZBQACSA-N 1 0 461.658 4.636 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732040 1066993244 /nfs/dbraw/zinc/99/32/44/1066993244.db2.gz WQFHMWPQQPNIFT-NNXSRULWSA-N 1 0 492.634 4.623 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)CSc1nc(-c2cccc(C)c2)no1)c1ccc(Cl)cc1 ZINC001449263559 1066993654 /nfs/dbraw/zinc/99/36/54/1066993654.db2.gz KAWTXLRFZXFNDI-HXUWFJFHSA-N 1 0 459.015 4.990 20 0 JJADRO O=C(CSc1ccccc1C(=O)N1CC[NH+](C2CCCCC2)CC1)NCC1CCCCC1 ZINC001458168969 1066994815 /nfs/dbraw/zinc/99/48/15/1066994815.db2.gz SDWSHRXPMPMUHR-UHFFFAOYSA-N 1 0 457.684 4.566 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545733622 1066995627 /nfs/dbraw/zinc/99/56/27/1066995627.db2.gz FHVKMZGHJUOHQT-JCYRPKCISA-N 1 0 494.728 4.541 20 0 JJADRO C/C(=C/C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1C(F)(F)F ZINC001449285793 1066995853 /nfs/dbraw/zinc/99/58/53/1066995853.db2.gz OSVDADIUZWWPKK-DBJZRZIFSA-N 1 0 457.540 4.527 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@H](C(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545733797 1066996030 /nfs/dbraw/zinc/99/60/30/1066996030.db2.gz IEWBASRCDISQCA-ZEQRLZLVSA-N 1 0 453.675 4.538 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C(C)C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545734425 1066997654 /nfs/dbraw/zinc/99/76/54/1066997654.db2.gz SGWXPMXMCGPLQG-PZUNEJSGSA-N 1 0 453.675 4.803 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545735530 1066998900 /nfs/dbraw/zinc/99/89/00/1066998900.db2.gz CMNOESFOEITHDA-NQHRYMMQSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545736182 1066999857 /nfs/dbraw/zinc/99/98/57/1066999857.db2.gz LRXBGJZERZBTDT-ILBGXUMGSA-N 1 0 466.718 4.720 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545736341 1067000161 /nfs/dbraw/zinc/00/01/61/1067000161.db2.gz PCXAJQHAZMFLEF-QHCPKHFHSA-N 1 0 492.634 4.626 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001545736354 1067000255 /nfs/dbraw/zinc/00/02/55/1067000255.db2.gz PHVKTQUGTHNOHC-IFMALSPDSA-N 1 0 484.689 4.654 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545738452 1067003041 /nfs/dbraw/zinc/00/30/41/1067003041.db2.gz IIKDCYSPPLHEOR-VWLOTQADSA-N 1 0 463.674 4.582 20 0 JJADRO O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001449366174 1067004336 /nfs/dbraw/zinc/00/43/36/1067004336.db2.gz YDJWHGGHLIZWBK-UKILVPOCSA-N 1 0 459.055 4.876 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1CC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC001545740852 1067006521 /nfs/dbraw/zinc/00/65/21/1067006521.db2.gz FGDZQHUTDKVYDH-SANMLTNESA-N 1 0 494.728 4.922 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001545741485 1067007797 /nfs/dbraw/zinc/00/77/97/1067007797.db2.gz RCWKCXJXALJTNI-AUSIDOKSSA-N 1 0 494.709 4.539 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@H]1CCOC[C@H]1C)c1ccccc1 ZINC001545741711 1067008163 /nfs/dbraw/zinc/00/81/63/1067008163.db2.gz VROVWHHQHLCUEX-GZGNHOFSSA-N 1 0 453.675 4.803 20 0 JJADRO CN(C)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001458230951 1067008651 /nfs/dbraw/zinc/00/86/51/1067008651.db2.gz OVWCKXRHZJZQPP-SXSPYAJSSA-N 1 0 456.428 4.546 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545741838 1067008848 /nfs/dbraw/zinc/00/88/48/1067008848.db2.gz XNVUTCTYBBTUEQ-XZOQPEGZSA-N 1 0 484.689 4.606 20 0 JJADRO CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001458234343 1067008860 /nfs/dbraw/zinc/00/88/60/1067008860.db2.gz VJYRJBHPNQCYRP-YCAMKHIRSA-N 1 0 457.659 4.733 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545743374 1067009286 /nfs/dbraw/zinc/00/92/86/1067009286.db2.gz IVHYBVXQBOSOHJ-AREMUKBSSA-N 1 0 496.744 4.632 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001545743889 1067010534 /nfs/dbraw/zinc/01/05/34/1067010534.db2.gz SLNYTXSCZGOBSA-ZJSXRUAMSA-N 1 0 475.685 4.574 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(Oc3ncccc3F)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545744242 1067011398 /nfs/dbraw/zinc/01/13/98/1067011398.db2.gz YQHJBTVFHBDSDY-HSZRJFAPSA-N 1 0 494.659 4.990 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC[S@](=O)CC)c1ccccc1 ZINC001545745373 1067011604 /nfs/dbraw/zinc/01/16/04/1067011604.db2.gz ANLAQPDWKWAJBB-KEOVAGKKSA-N 1 0 485.742 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC001545745461 1067011932 /nfs/dbraw/zinc/01/19/32/1067011932.db2.gz BKCBTSGYIDOITI-MDNUFGMLSA-N 1 0 481.666 4.574 20 0 JJADRO CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1ccon1)[NH+]1CCCC1 ZINC001546014900 1067012393 /nfs/dbraw/zinc/01/23/93/1067012393.db2.gz PZIZWBGMFYBING-LJQANCHMSA-N 1 0 461.035 4.723 20 0 JJADRO CC[C@H](Cn1c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001546014997 1067012750 /nfs/dbraw/zinc/01/27/50/1067012750.db2.gz RUIHJCZBNARFJW-HSZRJFAPSA-N 1 0 494.728 4.588 20 0 JJADRO CC[C@@H](Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1)[NH+]1CCCC1 ZINC001546015411 1067014452 /nfs/dbraw/zinc/01/44/52/1067014452.db2.gz ZQLMYAQYQIOYRQ-HFZDXXHNSA-N 1 0 487.714 4.849 20 0 JJADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001449555004 1067014635 /nfs/dbraw/zinc/01/46/35/1067014635.db2.gz IDOOZCVIPNGEQC-HNNXBMFYSA-N 1 0 451.995 4.540 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC001449565831 1067014725 /nfs/dbraw/zinc/01/47/25/1067014725.db2.gz XQRQTIKTKTXTOY-KRWDZBQOSA-N 1 0 454.442 4.705 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545748488 1067016962 /nfs/dbraw/zinc/01/69/62/1067016962.db2.gz BDQCBYBJPITTPC-UBFVSLLYSA-N 1 0 494.728 4.681 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1)c1ccccc1 ZINC001545748495 1067017445 /nfs/dbraw/zinc/01/74/45/1067017445.db2.gz BFFTUXXLNICPAR-RPWUZVMVSA-N 1 0 451.659 4.866 20 0 JJADRO CCC[C@@H]1CN(C(=O)[C@@H](OC)c2ccc(Br)s2)CC[N@@H+]1Cc1ccccc1 ZINC001458273333 1067018121 /nfs/dbraw/zinc/01/81/21/1067018121.db2.gz CHFZUGPKNQEWOU-XLIONFOSSA-N 1 0 451.430 4.711 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1)C[C@H]1CCCCO1 ZINC001458273998 1067018481 /nfs/dbraw/zinc/01/84/81/1067018481.db2.gz FVYVLJKXUINMPB-HXUWFJFHSA-N 1 0 451.596 4.632 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545749557 1067020608 /nfs/dbraw/zinc/02/06/08/1067020608.db2.gz PPNBXOFKPYTTSB-KSNOWIBYSA-N 1 0 478.689 4.600 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545750046 1067022118 /nfs/dbraw/zinc/02/21/18/1067022118.db2.gz XJUZITTXFRDXNG-SKBVVQJISA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545751698 1067025067 /nfs/dbraw/zinc/02/50/67/1067025067.db2.gz KBIDFTSRBYYGJY-JYFHCDHNSA-N 1 0 480.701 4.533 20 0 JJADRO CC[C@@H](Cn1c(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546016943 1067025211 /nfs/dbraw/zinc/02/52/11/1067025211.db2.gz LRABYYHFHUCBBG-ZWKOTPCHSA-N 1 0 467.584 4.507 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001545751738 1067025438 /nfs/dbraw/zinc/02/54/38/1067025438.db2.gz KMHXEPFTBYDOHT-RCXJIHSJSA-N 1 0 483.701 4.572 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCOC1CCOCC1)c1ccccc1 ZINC001545752014 1067026132 /nfs/dbraw/zinc/02/61/32/1067026132.db2.gz PFLDBUCGJAIDMA-VWLOTQADSA-N 1 0 483.701 4.716 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC1CCC(OC)CC1)c1ccccc1 ZINC001545752260 1067027293 /nfs/dbraw/zinc/02/72/93/1067027293.db2.gz UBSATDCFDLCREN-PUOLSWATSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545752550 1067028983 /nfs/dbraw/zinc/02/89/83/1067028983.db2.gz ZAKBIAORTOLDEM-RSXGOPAZSA-N 1 0 494.728 4.635 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC001545753889 1067029582 /nfs/dbraw/zinc/02/95/82/1067029582.db2.gz AKWMBNUWAQUZEM-TUSQITKMSA-N 1 0 496.700 4.607 20 0 JJADRO CC[C@@H](Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017494 1067030389 /nfs/dbraw/zinc/03/03/89/1067030389.db2.gz VRGWNPILWRTZIB-NEKDWFFYSA-N 1 0 483.701 4.823 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546099488 1067032522 /nfs/dbraw/zinc/03/25/22/1067032522.db2.gz GIWQTGZAPCUUQM-IGKIAQTJSA-N 1 0 469.674 4.681 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756113 1067033081 /nfs/dbraw/zinc/03/30/81/1067033081.db2.gz AWELBUQEDNLIFM-VQTJNVASSA-N 1 0 467.580 4.708 20 0 JJADRO CC[C@H](Cn1c(N2CC[C@H](C[NH+]3CCCCC3)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546017705 1067033166 /nfs/dbraw/zinc/03/31/66/1067033166.db2.gz ZXHVZVOBDYDSSR-NHCUHLMSSA-N 1 0 457.638 4.885 20 0 JJADRO Cn1c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001449886194 1067034423 /nfs/dbraw/zinc/03/44/23/1067034423.db2.gz AUJSIQFRBAMIPY-OAQYLSRUSA-N 1 0 458.647 4.578 20 0 JJADRO C[C@H](C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001449891493 1067034806 /nfs/dbraw/zinc/03/48/06/1067034806.db2.gz CNKRQCPCFCUPFB-KJXAQDMKSA-N 1 0 461.622 4.547 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)C3(c4ccc(F)cc4F)CCCC3)CC2)cc1 ZINC001449906116 1067036216 /nfs/dbraw/zinc/03/62/16/1067036216.db2.gz RNCUHPHWCXQOLA-UHFFFAOYSA-N 1 0 455.549 4.516 20 0 JJADRO CC1(C)CN(C(=O)c2ccc(Br)cc2O)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449910347 1067036909 /nfs/dbraw/zinc/03/69/09/1067036909.db2.gz JYFAVOZUINIPRH-JOCHJYFZSA-N 1 0 457.412 4.918 20 0 JJADRO C[C@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001458345956 1067037386 /nfs/dbraw/zinc/03/73/86/1067037386.db2.gz DEIDIOSVLLKNQG-NZQKXSOJSA-N 1 0 451.611 4.993 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545758352 1067037567 /nfs/dbraw/zinc/03/75/67/1067037567.db2.gz FDQRHYSJEJUSLE-OFNKIYASSA-N 1 0 475.628 4.802 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001545758536 1067038377 /nfs/dbraw/zinc/03/83/77/1067038377.db2.gz IVUJVUVIQHXWAD-RUZDIDTESA-N 1 0 489.712 4.888 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458349585 1067039049 /nfs/dbraw/zinc/03/90/49/1067039049.db2.gz MYAJZLQKCSSOLF-AMGIVPHBSA-N 1 0 455.602 4.565 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545758643 1067039363 /nfs/dbraw/zinc/03/93/63/1067039363.db2.gz KIXXVHJJTULBQJ-VWLOTQADSA-N 1 0 480.701 4.532 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC(C)(C)SC)c1ccccc1 ZINC001545758774 1067039528 /nfs/dbraw/zinc/03/95/28/1067039528.db2.gz MPWPQZMVWMVQJR-HSZRJFAPSA-N 1 0 471.715 4.510 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758765 1067039769 /nfs/dbraw/zinc/03/97/69/1067039769.db2.gz MILWMVTXBXSJAP-ZEQRLZLVSA-N 1 0 453.675 4.947 20 0 JJADRO COc1ccc(Cl)c(-c2cc(C(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)on2)c1 ZINC001458364301 1067042565 /nfs/dbraw/zinc/04/25/65/1067042565.db2.gz AKNAYFWWFSPVAS-UHFFFAOYSA-N 1 0 454.958 4.777 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)F)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1)c1ccccc1 ZINC001545759496 1067042808 /nfs/dbraw/zinc/04/28/08/1067042808.db2.gz YSQFSNSPFCFBLG-AIUHUKMKSA-N 1 0 488.671 4.718 20 0 JJADRO CC[NH+]1CCC(C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)(c2ccccc2)CC1 ZINC001450027668 1067042876 /nfs/dbraw/zinc/04/28/76/1067042876.db2.gz KPOMNFKUOLPLNG-UHFFFAOYSA-N 1 0 451.558 4.922 20 0 JJADRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001450046618 1067044207 /nfs/dbraw/zinc/04/42/07/1067044207.db2.gz JPKSVVYYSBCQIV-LEWJYISDSA-N 1 0 459.403 4.891 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)CCO1 ZINC001546099843 1067044913 /nfs/dbraw/zinc/04/49/13/1067044913.db2.gz NTCJTOWDORCVRU-NFQMXDRXSA-N 1 0 469.674 4.643 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545761759 1067045808 /nfs/dbraw/zinc/04/58/08/1067045808.db2.gz WQDXMHLQNJYJOG-KSEOMHKRSA-N 1 0 479.591 4.708 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545761760 1067045965 /nfs/dbraw/zinc/04/59/65/1067045965.db2.gz WQDXMHLQNJYJOG-NNWRFLSQSA-N 1 0 479.591 4.708 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@H](C(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545761972 1067046129 /nfs/dbraw/zinc/04/61/29/1067046129.db2.gz ZOGMZESXCMVNJW-ZEQRLZLVSA-N 1 0 453.675 4.946 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCCCc2cc(Br)ccc21 ZINC001458377718 1067046367 /nfs/dbraw/zinc/04/63/67/1067046367.db2.gz WPFTUVXIYDAIEI-UHFFFAOYSA-N 1 0 456.428 4.721 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545761971 1067046236 /nfs/dbraw/zinc/04/62/36/1067046236.db2.gz ZOGMZESXCMVNJW-RPWUZVMVSA-N 1 0 453.675 4.946 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001545763320 1067047185 /nfs/dbraw/zinc/04/71/85/1067047185.db2.gz GWRILWAROIMDBM-VGSCBBJJSA-N 1 0 483.701 4.571 20 0 JJADRO CC[C@@H](c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545764411 1067049266 /nfs/dbraw/zinc/04/92/66/1067049266.db2.gz VJYCYKHRJBLPOR-IEZKXTBUSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545764680 1067049334 /nfs/dbraw/zinc/04/93/34/1067049334.db2.gz ZRLURYCDFHSTES-WPFOTENUSA-N 1 0 453.675 4.944 20 0 JJADRO CC[C@H](c1nnc(N2CCSC(CC)(CC)C2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545765403 1067050337 /nfs/dbraw/zinc/05/03/37/1067050337.db2.gz AQROXLUWWNWIAX-DEOSSOPVSA-N 1 0 498.785 4.958 20 0 JJADRO Cc1ccc(-c2cncc(C(=O)NCCc3ccc(OCC[NH+]4C[C@@H](C)[C@H](C)C4)cc3)c2)cc1 ZINC001458397058 1067051042 /nfs/dbraw/zinc/05/10/42/1067051042.db2.gz PEGDBHKQSFPQLP-DHIUTWEWSA-N 1 0 457.618 4.996 20 0 JJADRO Cc1ccc(-c2cncc(C(=O)NCCc3ccc(OCC[NH+]4C[C@H](C)[C@@H](C)C4)cc3)c2)cc1 ZINC001458397061 1067051083 /nfs/dbraw/zinc/05/10/83/1067051083.db2.gz PEGDBHKQSFPQLP-GOTSBHOMSA-N 1 0 457.618 4.996 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C[C@H]1C ZINC001458397141 1067051599 /nfs/dbraw/zinc/05/15/99/1067051599.db2.gz PQYKTHBMWIYEHA-FGZHOGPDSA-N 1 0 452.614 4.963 20 0 JJADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C3(c4cccc(F)c4)CCCC3)cc2)C[C@@H]1C ZINC001458398376 1067051777 /nfs/dbraw/zinc/05/17/77/1067051777.db2.gz RXWJVXONQQMYGS-VXKWHMMOSA-N 1 0 452.614 4.963 20 0 JJADRO Cc1c(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cnn1CCC(C)C ZINC001450131987 1067051842 /nfs/dbraw/zinc/05/18/42/1067051842.db2.gz CLECQCJIGKUZSH-SANMLTNESA-N 1 0 459.638 4.940 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C3(c4cccc(F)c4)CCCC3)cc2)C[C@H]1C ZINC001458398371 1067052025 /nfs/dbraw/zinc/05/20/25/1067052025.db2.gz RXWJVXONQQMYGS-SZPZYZBQSA-N 1 0 452.614 4.963 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001545766559 1067052136 /nfs/dbraw/zinc/05/21/36/1067052136.db2.gz VIESRWYIWZGRJT-SDUSCBPUSA-N 1 0 453.675 4.682 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545767881 1067053114 /nfs/dbraw/zinc/05/31/14/1067053114.db2.gz ISFNAPBDGHVERH-AOHZBQACSA-N 1 0 488.671 4.575 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2OC(F)F)[NH+](C)C)cc1 ZINC001450140090 1067053365 /nfs/dbraw/zinc/05/33/65/1067053365.db2.gz XDPNLLVOVVUYEL-MRXNPFEDSA-N 1 0 459.356 4.805 20 0 JJADRO CCC(CC)(Cn1c(C(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545770031 1067055722 /nfs/dbraw/zinc/05/57/22/1067055722.db2.gz SCQHLZJKVNYRAT-UHFFFAOYSA-N 1 0 464.699 4.796 20 0 JJADRO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)SC ZINC001545770942 1067056720 /nfs/dbraw/zinc/05/67/20/1067056720.db2.gz AISSJLZQGXLTRD-SJLPKXTDSA-N 1 0 495.535 4.641 20 0 JJADRO COc1ccc([C@H](O)C2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)CC2)cc1 ZINC001450193238 1067058273 /nfs/dbraw/zinc/05/82/73/1067058273.db2.gz HNHYJXVNKWEXLZ-KZQOYIJHSA-N 1 0 464.650 4.762 20 0 JJADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C[C@H]1C ZINC001458431122 1067058850 /nfs/dbraw/zinc/05/88/50/1067058850.db2.gz PDDNFNCYIUNFIL-SJORKVTESA-N 1 0 458.400 4.565 20 0 JJADRO CCCCCCn1nc(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)c2ccccc2c1=O ZINC001450223908 1067061255 /nfs/dbraw/zinc/06/12/55/1067061255.db2.gz BNLNUOUSARMUCV-UHFFFAOYSA-N 1 0 452.643 4.703 20 0 JJADRO CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)SC ZINC001545772690 1067061290 /nfs/dbraw/zinc/06/12/90/1067061290.db2.gz JAZOCYZUODMDCA-SFHVURJKSA-N 1 0 466.095 4.677 20 0 JJADRO CC(C)(C)OC(=O)N(CCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)CC1CC1 ZINC001450225970 1067061485 /nfs/dbraw/zinc/06/14/85/1067061485.db2.gz JUOLOPXZMUZRPT-UHFFFAOYSA-N 1 0 455.643 4.538 20 0 JJADRO COc1ccc(Br)cc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458447255 1067063350 /nfs/dbraw/zinc/06/33/50/1067063350.db2.gz KPYREPLZYHWMJK-BFUOFWGJSA-N 1 0 455.755 4.673 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448239 1067063659 /nfs/dbraw/zinc/06/36/59/1067063659.db2.gz NOGCCJLWHBAHSS-KNQAVFIVSA-N 1 0 459.993 4.564 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)OC ZINC001545774562 1067067328 /nfs/dbraw/zinc/06/73/28/1067067328.db2.gz TVSHTLPTPMKYNF-QFIPXVFZSA-N 1 0 485.673 4.621 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001545774754 1067068149 /nfs/dbraw/zinc/06/81/49/1067068149.db2.gz ZZBUVGAVJWFFMH-UHFFFAOYSA-N 1 0 454.446 4.988 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2ccc(Cl)cc2C)cc1OC ZINC001458465953 1067069219 /nfs/dbraw/zinc/06/92/19/1067069219.db2.gz ASFJXGHQJHYNEW-UHFFFAOYSA-N 1 0 452.382 4.634 20 0 JJADRO CCC(CC)(Cn1c(-c2ccccc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545775755 1067069387 /nfs/dbraw/zinc/06/93/87/1067069387.db2.gz JPEVKESPCHRZFL-UNMCSNQZSA-N 1 0 482.673 4.702 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCc2cccnc2OCC(F)F)c1 ZINC001458522411 1067080418 /nfs/dbraw/zinc/08/04/18/1067080418.db2.gz ZVNOLLYTIBUEPP-BJKOFHAPSA-N 1 0 465.544 4.566 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001546101703 1067080937 /nfs/dbraw/zinc/08/09/37/1067080937.db2.gz JJJSXLCDOWVZTL-CJFMBICVSA-N 1 0 476.065 4.780 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2Nc2nc(OC)cc(C(F)(F)F)n2)cc1 ZINC001458529729 1067082305 /nfs/dbraw/zinc/08/23/05/1067082305.db2.gz HWOVKGAKNAAZDH-VQTJNVASSA-N 1 0 458.484 4.593 20 0 JJADRO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)OC ZINC001545789787 1067086527 /nfs/dbraw/zinc/08/65/27/1067086527.db2.gz TVWSNZHFSNRCNJ-VWNXMTODSA-N 1 0 468.690 4.560 20 0 JJADRO CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)OC ZINC001545792494 1067090049 /nfs/dbraw/zinc/09/00/49/1067090049.db2.gz BUCLRKZGJPKIHQ-QHCPKHFHSA-N 1 0 469.674 4.744 20 0 JJADRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)C[N@@H+]2C1 ZINC001450555131 1067091480 /nfs/dbraw/zinc/09/14/80/1067091480.db2.gz OHJIDHFBZAIEOZ-REHHDOPLSA-N 1 0 457.615 4.872 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cc2)CC1 ZINC001458599495 1067092477 /nfs/dbraw/zinc/09/24/77/1067092477.db2.gz YLIZRRKAAFXKMM-NRFANRHFSA-N 1 0 456.030 4.802 20 0 JJADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001450604391 1067094096 /nfs/dbraw/zinc/09/40/96/1067094096.db2.gz GKYOOUXTOJZYFO-IERDGZPVSA-N 1 0 451.380 4.945 20 0 JJADRO CCC(CC)[C@H](CCn1c(-c2cccn2C)nnc1N1CC[NH+](C2CCCCC2)CC1)OC ZINC001545797929 1067098009 /nfs/dbraw/zinc/09/80/09/1067098009.db2.gz CEASCOKSBBHTMS-DEOSSOPVSA-N 1 0 456.679 4.580 20 0 JJADRO Cc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1NC(=O)CC[NH+](C)C ZINC001458641652 1067100069 /nfs/dbraw/zinc/10/00/69/1067100069.db2.gz CAXYTWGMXRNMQI-UHFFFAOYSA-N 1 0 456.999 4.843 20 0 JJADRO COc1cccc2c1[C@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)CC2 ZINC001450696469 1067105044 /nfs/dbraw/zinc/10/50/44/1067105044.db2.gz CFYPEYVAOOVTEX-HXUWFJFHSA-N 1 0 457.412 4.611 20 0 JJADRO COc1cccc2c(C(=O)N(Cc3ccccc3Br)C3CC[NH+](C)CC3)coc21 ZINC001450698357 1067105980 /nfs/dbraw/zinc/10/59/80/1067105980.db2.gz HSXOQXWFQMWRNH-UHFFFAOYSA-N 1 0 457.368 4.941 20 0 JJADRO C[C@H](CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)C(=O)c1ccccc1 ZINC001450701880 1067106791 /nfs/dbraw/zinc/10/67/91/1067106791.db2.gz OZBWHEIENZFOPF-GOSISDBHSA-N 1 0 457.412 4.781 20 0 JJADRO COc1ccc(CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H](C)C2CC2)c(OC)c1 ZINC001450710032 1067108859 /nfs/dbraw/zinc/10/88/59/1067108859.db2.gz ILNJFFCQZPOIQD-XXBNENTESA-N 1 0 454.586 4.882 20 0 JJADRO CCC(CC)[C@H](CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)OC ZINC001545803005 1067111243 /nfs/dbraw/zinc/11/12/43/1067111243.db2.gz GFKSUQUZXYSDAN-UCFCWBNQSA-N 1 0 457.638 4.522 20 0 JJADRO CCC(CC)[C@H](CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)OC ZINC001545803003 1067111343 /nfs/dbraw/zinc/11/13/43/1067111343.db2.gz GFKSUQUZXYSDAN-CKUXNOBLSA-N 1 0 457.638 4.522 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC001545803634 1067114108 /nfs/dbraw/zinc/11/41/08/1067114108.db2.gz RCSHMKNWHNYLTB-DHLKQENFSA-N 1 0 471.665 4.747 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[NH+](C)C ZINC001545803660 1067114145 /nfs/dbraw/zinc/11/41/45/1067114145.db2.gz RNMAVVPOJJJGAN-NRFANRHFSA-N 1 0 490.096 4.671 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCOCC1)[NH+](C)C ZINC001545804999 1067117493 /nfs/dbraw/zinc/11/74/93/1067117493.db2.gz GGHVJKCQNAIBKZ-NRFANRHFSA-N 1 0 459.704 4.869 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCOCC1 ZINC001545805337 1067118904 /nfs/dbraw/zinc/11/89/04/1067118904.db2.gz LRKUWEZYZGRBAV-PXDATVDWSA-N 1 0 469.674 4.717 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C1CC1)[NH+](C)C ZINC001545805424 1067119731 /nfs/dbraw/zinc/11/97/31/1067119731.db2.gz NAVQFSRUAGCPFW-LJQANCHMSA-N 1 0 452.416 4.812 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(CC)C1)[NH+]1CCOCC1 ZINC001545805667 1067120995 /nfs/dbraw/zinc/12/09/95/1067120995.db2.gz QKDHQILQRKGIIO-SHQCIBLASA-N 1 0 469.674 4.717 20 0 JJADRO CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)[NH+](C)C)cc1 ZINC001450786116 1067120994 /nfs/dbraw/zinc/12/09/94/1067120994.db2.gz LZEDHANLMHJOEJ-XMMPIXPASA-N 1 0 453.627 4.943 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C2CCC1(C)CC2)[NH+](C)C ZINC001545805910 1067121597 /nfs/dbraw/zinc/12/15/97/1067121597.db2.gz USAVUQSHHZCTSJ-OZWAEMERSA-N 1 0 463.468 4.923 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)[NH+](C)C ZINC001545805855 1067121735 /nfs/dbraw/zinc/12/17/35/1067121735.db2.gz TXKNQBBTTSFHOQ-IHASJPSXSA-N 1 0 491.627 4.510 20 0 JJADRO CC(C)Cc1ccc([C@@H](CNC(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)[NH+](C)C)cc1 ZINC001450794268 1067121826 /nfs/dbraw/zinc/12/18/26/1067121826.db2.gz FZGRJRNRCFFVLR-JOCHJYFZSA-N 1 0 457.659 4.832 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cnn(C)c1)[NH+](C)C ZINC001545806115 1067122204 /nfs/dbraw/zinc/12/22/04/1067122204.db2.gz ZHDWDBWLIZUGEA-PGRDOPGGSA-N 1 0 483.730 4.868 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](OC)C1)[NH+](C)C ZINC001545805971 1067122309 /nfs/dbraw/zinc/12/23/09/1067122309.db2.gz WBTFYZABXFHJAS-BWKNWUBXSA-N 1 0 464.658 4.783 20 0 JJADRO COc1c(Br)ccc(F)c1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450800640 1067122649 /nfs/dbraw/zinc/12/26/49/1067122649.db2.gz MUCZOQNMUXCGDK-LJQANCHMSA-N 1 0 451.380 4.828 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)s2)cc1OC ZINC001450807638 1067123981 /nfs/dbraw/zinc/12/39/81/1067123981.db2.gz XHFYANGYVIISPI-FXAWDEMLSA-N 1 0 451.592 4.529 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001545807205 1067124354 /nfs/dbraw/zinc/12/43/54/1067124354.db2.gz CWRYXCLPIOCDGR-FCHUYYIVSA-N 1 0 490.574 4.627 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@H](SC)C1)[NH+]1CCOCC1 ZINC001545807255 1067124898 /nfs/dbraw/zinc/12/48/98/1067124898.db2.gz FBOPCZACAYDQAH-VXKWHMMOSA-N 1 0 475.703 4.705 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCOC2)C1)[NH+](C)C ZINC001545807582 1067127009 /nfs/dbraw/zinc/12/70/09/1067127009.db2.gz KWRDUKXFKMJCOX-URXFXBBRSA-N 1 0 490.490 4.691 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@@H](C(C)C)C1)[NH+](C)C ZINC001545807540 1067127017 /nfs/dbraw/zinc/12/70/17/1067127017.db2.gz JXXGYBPYUVDRES-WOJBJXKFSA-N 1 0 465.111 4.938 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@H]1C)[NH+](C)C ZINC001545807753 1067128305 /nfs/dbraw/zinc/12/83/05/1067128305.db2.gz NSNSDHHRNLYCSV-FOIQADDNSA-N 1 0 498.897 4.953 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C)CC1)[NH+](C)C ZINC001545807745 1067128332 /nfs/dbraw/zinc/12/83/32/1067128332.db2.gz NRANZXNYDFKWBE-DENIHFKCSA-N 1 0 455.647 4.709 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccoc1C)[NH+]1CCOCC1 ZINC001545807875 1067129538 /nfs/dbraw/zinc/12/95/38/1067129538.db2.gz PBWNKJGNVPHXCB-JOCHJYFZSA-N 1 0 487.048 4.668 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1)[NH+](C)C ZINC001545807901 1067130195 /nfs/dbraw/zinc/13/01/95/1067130195.db2.gz PGOMLHUWGPFTPA-AJSBUHFISA-N 1 0 490.092 4.979 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCOC1)[NH+](C)C ZINC001545807932 1067130281 /nfs/dbraw/zinc/13/02/81/1067130281.db2.gz PSSMWJANPQPSEE-IERDGZPVSA-N 1 0 452.018 4.577 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCCCC2)C1)[NH+](C)C ZINC001545807977 1067130896 /nfs/dbraw/zinc/13/08/96/1067130896.db2.gz QLFCGESMEKUBMB-DEOSSOPVSA-N 1 0 499.700 4.868 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545808090 1067131665 /nfs/dbraw/zinc/13/16/65/1067131665.db2.gz SDUFEAAQFJFWLI-YADARESESA-N 1 0 464.658 4.863 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@H](COC)C1)[NH+](C)C ZINC001545808213 1067132310 /nfs/dbraw/zinc/13/23/10/1067132310.db2.gz UXMKCMJPPUSZKO-GHTZIAJQSA-N 1 0 463.070 4.613 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+]1CCOCC1 ZINC001545808354 1067133710 /nfs/dbraw/zinc/13/37/10/1067133710.db2.gz WZRPMRKTNXWCAQ-WTNAPCKOSA-N 1 0 464.029 4.530 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(F)(F)F)[NH+]1CCOCC1 ZINC001545808463 1067134379 /nfs/dbraw/zinc/13/43/79/1067134379.db2.gz ZJFSUEQXZDVHQR-IBGZPJMESA-N 1 0 491.961 4.873 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)[NH+](C)C ZINC001545808368 1067134453 /nfs/dbraw/zinc/13/44/53/1067134453.db2.gz XFALFSPWAKGUAA-XMMPIXPASA-N 1 0 484.689 4.616 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545809529 1067135598 /nfs/dbraw/zinc/13/55/98/1067135598.db2.gz FOSFMPWTRGTTQT-GOTSBHOMSA-N 1 0 471.049 4.871 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545809530 1067135608 /nfs/dbraw/zinc/13/56/08/1067135608.db2.gz FOSFMPWTRGTTQT-PKTZIBPZSA-N 1 0 471.049 4.871 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC1CCOCC1)[NH+](C)C ZINC001545809520 1067135696 /nfs/dbraw/zinc/13/56/96/1067135696.db2.gz FHUMVSHCBGYMHN-RUZDIDTESA-N 1 0 466.674 4.666 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC1CCOCC1)[NH+](C)C ZINC001545809521 1067135798 /nfs/dbraw/zinc/13/57/98/1067135798.db2.gz FHUMVSHCBGYMHN-VWLOTQADSA-N 1 0 466.674 4.666 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](c2ccccc2OC)C1)[NH+](C)C ZINC001545809685 1067136238 /nfs/dbraw/zinc/13/62/38/1067136238.db2.gz INUDMNWXPZRRFK-LADGPHEKSA-N 1 0 462.642 4.709 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)S[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545809628 1067136315 /nfs/dbraw/zinc/13/63/15/1067136315.db2.gz HTPFHVZJWRYYJY-HFMPRLQTSA-N 1 0 471.715 4.721 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001545809709 1067136937 /nfs/dbraw/zinc/13/69/37/1067136937.db2.gz ITXBYFCFMSQEBY-SANMLTNESA-N 1 0 490.696 4.589 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001545809708 1067136950 /nfs/dbraw/zinc/13/69/50/1067136950.db2.gz ITXBYFCFMSQEBY-AREMUKBSSA-N 1 0 490.696 4.589 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001545810474 1067138794 /nfs/dbraw/zinc/13/87/94/1067138794.db2.gz XCUQEHZGQOCYCE-RDPSFJRHSA-N 1 0 483.730 4.595 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(C)=C(Br)C1)[NH+](C)C ZINC001545810532 1067138812 /nfs/dbraw/zinc/13/88/12/1067138812.db2.gz XZBDZWNYGNTGCE-FQEVSTJZSA-N 1 0 461.452 4.586 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@](C)(CC)C1)[NH+](C)C ZINC001545811814 1067139487 /nfs/dbraw/zinc/13/94/87/1067139487.db2.gz CPFFGSLXDCOYMV-YIXXDRMTSA-N 1 0 480.657 4.972 20 0 JJADRO CN(C/C=C\C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC001451026841 1067139981 /nfs/dbraw/zinc/13/99/81/1067139981.db2.gz BKINXMMGTXBUJY-VVGVPELMSA-N 1 0 451.577 4.720 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC1(C)C)[NH+](C)C ZINC001545811931 1067139946 /nfs/dbraw/zinc/13/99/46/1067139946.db2.gz FQQWCIDZIMGMFH-HSZRJFAPSA-N 1 0 493.700 4.981 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545812264 1067140642 /nfs/dbraw/zinc/14/06/42/1067140642.db2.gz KXAFERVHHYTWMZ-YKSBVNFPSA-N 1 0 479.673 4.501 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC1CCCCC1)[NH+](C)C ZINC001545812313 1067140713 /nfs/dbraw/zinc/14/07/13/1067140713.db2.gz LYOZMXARGJUXIZ-HSZRJFAPSA-N 1 0 479.673 4.977 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC)(CC)C1)[NH+]1CCOCC1 ZINC001545812239 1067140747 /nfs/dbraw/zinc/14/07/47/1067140747.db2.gz KNAJWSJIIXUTKV-DEOSSOPVSA-N 1 0 468.690 4.802 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001545812194 1067140808 /nfs/dbraw/zinc/14/08/08/1067140808.db2.gz KGKDLAFIPDHQDV-QHCPKHFHSA-N 1 0 499.704 4.508 20 0 JJADRO CC[C@H](C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](CC)C1 ZINC001451028402 1067140827 /nfs/dbraw/zinc/14/08/27/1067140827.db2.gz FVYBKKLXZZKCKX-ZONZVBGPSA-N 1 0 455.687 4.559 20 0 JJADRO COC(=O)c1cc(F)cc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001451032373 1067141202 /nfs/dbraw/zinc/14/12/02/1067141202.db2.gz ODPAEIIZSPABLO-VWLOTQADSA-N 1 0 452.570 4.909 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545812876 1067141973 /nfs/dbraw/zinc/14/19/73/1067141973.db2.gz WTCWNECVBUWYKW-UGKGYDQZSA-N 1 0 476.710 4.605 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C)=C(C)C1)[NH+](C)C ZINC001545814608 1067142450 /nfs/dbraw/zinc/14/24/50/1067142450.db2.gz DJQJJUAWLXBVTF-XUZZJYLKSA-N 1 0 453.631 4.704 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1)[NH+](C)C ZINC001545814644 1067143006 /nfs/dbraw/zinc/14/30/06/1067143006.db2.gz FAHFVKJZEKKZQG-ARNLJNQMSA-N 1 0 469.674 4.541 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545814980 1067143466 /nfs/dbraw/zinc/14/34/66/1067143466.db2.gz KLQVIDHPQIYXDT-HJOGWXRNSA-N 1 0 473.637 4.603 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCN(c2cc(F)ccc2F)CC1)[NH+](C)C ZINC001545815174 1067144148 /nfs/dbraw/zinc/14/41/48/1067144148.db2.gz NASDOKDQCRGCIS-HSZRJFAPSA-N 1 0 460.617 4.517 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C1CCCC1)[NH+](C)C ZINC001545814991 1067144211 /nfs/dbraw/zinc/14/42/11/1067144211.db2.gz KNGJXSYKELNEQA-ZJSXRUAMSA-N 1 0 455.647 4.926 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001451050054 1067144210 /nfs/dbraw/zinc/14/42/10/1067144210.db2.gz TWQNJKHKNOQSNI-GVAUOCQISA-N 1 0 481.612 4.700 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCN(Cc2cccs2)CC1)[NH+](C)C ZINC001545815341 1067144668 /nfs/dbraw/zinc/14/46/68/1067144668.db2.gz PLEBCSMMLVBIRA-QHCPKHFHSA-N 1 0 458.720 4.686 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+](C)C ZINC001545815245 1067144721 /nfs/dbraw/zinc/14/47/21/1067144721.db2.gz OBFYFMRDZVPDMP-SFTDATJTSA-N 1 0 467.580 4.940 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001545815587 1067145269 /nfs/dbraw/zinc/14/52/69/1067145269.db2.gz RXUKEQKTVPHAQW-VWLOTQADSA-N 1 0 480.701 4.655 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1)[NH+](C)C ZINC001545815681 1067145292 /nfs/dbraw/zinc/14/52/92/1067145292.db2.gz TXCBURGJMAEFDP-JWQCQUIFSA-N 1 0 497.684 4.691 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001545816931 1067146000 /nfs/dbraw/zinc/14/60/00/1067146000.db2.gz AUXRWHVVNRQUDX-DEOSSOPVSA-N 1 0 498.716 4.601 20 0 JJADRO CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001458785738 1067146554 /nfs/dbraw/zinc/14/65/54/1067146554.db2.gz XWIVJXKXRKMMAP-SFHVURJKSA-N 1 0 459.384 4.865 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817153 1067146536 /nfs/dbraw/zinc/14/65/36/1067146536.db2.gz FQTMZGGSRFVHTN-DHLKQENFSA-N 1 0 464.633 4.763 20 0 JJADRO Cc1[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(C)c1C(=O)OC(C)C ZINC001451109047 1067146661 /nfs/dbraw/zinc/14/66/61/1067146661.db2.gz JQUNBAVNDIRVKV-BJKOFHAPSA-N 1 0 477.580 4.734 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001545816954 1067146591 /nfs/dbraw/zinc/14/65/91/1067146591.db2.gz BBULEGCSALAGMM-UWJYYQICSA-N 1 0 450.096 4.830 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)[NH+](C)C ZINC001545817213 1067147274 /nfs/dbraw/zinc/14/72/74/1067147274.db2.gz GNLOPLPTDGLBCG-PKTZIBPZSA-N 1 0 457.711 4.888 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N(C)[C@@H]1CCc2ccccc21)[NH+]1CCOCC1 ZINC001545817178 1067147340 /nfs/dbraw/zinc/14/73/40/1067147340.db2.gz FXFBLQBHYFHCJY-JWQCQUIFSA-N 1 0 453.675 4.737 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccco1)[NH+]1CCOCC1 ZINC001545817225 1067147357 /nfs/dbraw/zinc/14/73/57/1067147357.db2.gz GQYPORQPPFJTGL-VXKWHMMOSA-N 1 0 457.663 4.938 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001545817284 1067147839 /nfs/dbraw/zinc/14/78/39/1067147839.db2.gz HMGDBADXXSHVGN-XZOQPEGZSA-N 1 0 492.133 4.601 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCS[C@H](C(C)C)C1)[NH+](C)C ZINC001545817244 1067147917 /nfs/dbraw/zinc/14/79/17/1067147917.db2.gz GZYOQKHCLTXBGM-GOTSBHOMSA-N 1 0 461.695 4.952 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817228 1067147950 /nfs/dbraw/zinc/14/79/50/1067147950.db2.gz GRLNHCYGCCIJBD-NOZRDPDXSA-N 1 0 464.633 4.763 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817337 1067148692 /nfs/dbraw/zinc/14/86/92/1067148692.db2.gz IMTJQLZOGILCLF-UKILVPOCSA-N 1 0 464.633 4.763 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1)[NH+](C)C ZINC001545817330 1067148726 /nfs/dbraw/zinc/14/87/26/1067148726.db2.gz IIDSQNHYLKWFPX-QHCPKHFHSA-N 1 0 476.109 4.984 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545817372 1067148739 /nfs/dbraw/zinc/14/87/39/1067148739.db2.gz IUUYLOAKZVRXJK-JTHBVZDNSA-N 1 0 488.746 4.643 20 0 JJADRO Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c2ccccc2)cc1 ZINC001451134321 1067148799 /nfs/dbraw/zinc/14/87/99/1067148799.db2.gz ROVJCUQCIAGXRH-RUZDIDTESA-N 1 0 459.590 4.744 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001545817558 1067149866 /nfs/dbraw/zinc/14/98/66/1067149866.db2.gz LQWBSPOPUVVKTO-SANMLTNESA-N 1 0 458.654 4.924 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001545817668 1067150447 /nfs/dbraw/zinc/15/04/47/1067150447.db2.gz NVSPWFRXQKTNJR-SANMLTNESA-N 1 0 458.654 4.924 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(C)cs2)CC1)[NH+](C)C ZINC001545817630 1067150510 /nfs/dbraw/zinc/15/05/10/1067150510.db2.gz MWGIPYVUCMBARV-XMMPIXPASA-N 1 0 495.741 4.635 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1)[NH+](C)C ZINC001545817858 1067151884 /nfs/dbraw/zinc/15/18/84/1067151884.db2.gz QSJQQLHDQUTCDW-QFIPXVFZSA-N 1 0 478.689 4.512 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+](C)C ZINC001545817938 1067151908 /nfs/dbraw/zinc/15/19/08/1067151908.db2.gz SDUROIHQTPSBBJ-REWPJTCUSA-N 1 0 465.690 4.755 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H]1CC)[NH+]1CCOCC1 ZINC001545817940 1067151940 /nfs/dbraw/zinc/15/19/40/1067151940.db2.gz SEXOJRJRYYHRQY-JWQCQUIFSA-N 1 0 453.675 4.693 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001545819202 1067153217 /nfs/dbraw/zinc/15/32/17/1067153217.db2.gz BNYXKRBDCIFMFS-PLSULTGPSA-N 1 0 476.710 4.507 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCOCC1 ZINC001545819288 1067153544 /nfs/dbraw/zinc/15/35/44/1067153544.db2.gz COIQZBMLUUCOIX-JYFHCDHNSA-N 1 0 467.702 4.827 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CC[C@H](COc3ccccc3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819294 1067153658 /nfs/dbraw/zinc/15/36/58/1067153658.db2.gz COKQJUKIIRTNHR-WIOPSUGQSA-N 1 0 483.701 4.618 20 0 JJADRO CC(C)c1ccc(-n2ccnc2SCC(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)cc1 ZINC001451198745 1067153740 /nfs/dbraw/zinc/15/37/40/1067153740.db2.gz RLOQZJTWACCBIO-UHFFFAOYSA-N 1 0 456.587 4.806 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CC[C@@H](COc3ccccc3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819292 1067153753 /nfs/dbraw/zinc/15/37/53/1067153753.db2.gz COKQJUKIIRTNHR-RCZVLFRGSA-N 1 0 483.701 4.618 20 0 JJADRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001451201250 1067153914 /nfs/dbraw/zinc/15/39/14/1067153914.db2.gz ZPHKLGLPKHBDGQ-UHFFFAOYSA-N 1 0 451.329 4.819 20 0 JJADRO C[NH+](C)CCCn1c(=O)c2c3c(sc2nc1SCc1csc(Cl)n1)CCCC3 ZINC001458818134 1067154411 /nfs/dbraw/zinc/15/44/11/1067154411.db2.gz YADPUERVKUUEIB-UHFFFAOYSA-N 1 0 455.074 4.691 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CCC[C@H]2c2ccc(COC)o2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819444 1067154790 /nfs/dbraw/zinc/15/47/90/1067154790.db2.gz FZLNGCLHSBJYAU-XZOQPEGZSA-N 1 0 487.689 4.794 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2cccc(F)c2)C1)[NH+](C)C ZINC001545819643 1067155421 /nfs/dbraw/zinc/15/54/21/1067155421.db2.gz JXDIDNUEWTWYCE-UKILVPOCSA-N 1 0 481.664 4.639 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545819635 1067155556 /nfs/dbraw/zinc/15/55/56/1067155556.db2.gz JVHCRZLWHXVLPS-OIBXWCBGSA-N 1 0 490.737 4.727 20 0 JJADRO CCC(CC)[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1)[NH+](C)C ZINC001545819867 1067156192 /nfs/dbraw/zinc/15/61/92/1067156192.db2.gz NRMWYMBXVYFYJV-UTKZUKDTSA-N 1 0 466.095 4.815 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545820023 1067156453 /nfs/dbraw/zinc/15/64/53/1067156453.db2.gz QCFGXZBBCVXEOY-FXSPECFOSA-N 1 0 483.701 4.785 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCSC(C)(C)C1)[NH+](C)C ZINC001545819899 1067156571 /nfs/dbraw/zinc/15/65/71/1067156571.db2.gz OGVDTKJRVGRXQX-HSZRJFAPSA-N 1 0 468.715 4.979 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001545820195 1067157805 /nfs/dbraw/zinc/15/78/05/1067157805.db2.gz SEHQGZOMKLINDJ-ROKPMTFOSA-N 1 0 490.092 4.882 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001545820194 1067157905 /nfs/dbraw/zinc/15/79/05/1067157905.db2.gz SEHQGZOMKLINDJ-REHUZNOOSA-N 1 0 490.092 4.882 20 0 JJADRO Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)nc(C)c1Br ZINC001458824894 1067158075 /nfs/dbraw/zinc/15/80/75/1067158075.db2.gz YKBTYRLDHIZQES-QZTJIDSGSA-N 1 0 471.424 4.772 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545820427 1067159168 /nfs/dbraw/zinc/15/91/68/1067159168.db2.gz XERLTWALTXLCJY-QFQXNSOFSA-N 1 0 483.701 4.847 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001545820310 1067159213 /nfs/dbraw/zinc/15/92/13/1067159213.db2.gz VLKRMISFOJWYTK-HXUWFJFHSA-N 1 0 471.612 4.725 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(C1)CCCOC2)[NH+](C)C ZINC001545820547 1067160558 /nfs/dbraw/zinc/16/05/58/1067160558.db2.gz ZQZSMHCJNCPSDL-LSYYVWMOSA-N 1 0 483.701 4.847 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001545821403 1067161235 /nfs/dbraw/zinc/16/12/35/1067161235.db2.gz CIEXVYLPXPTWHV-NJDAHSKKSA-N 1 0 460.692 4.645 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001545822024 1067162770 /nfs/dbraw/zinc/16/27/70/1067162770.db2.gz RHADMMKJNPBTFF-ISJGIBHGSA-N 1 0 487.664 4.585 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C(C)C)[NH+]1CCOCC1 ZINC001545822335 1067164201 /nfs/dbraw/zinc/16/42/01/1067164201.db2.gz ZTZWNCCQIZJZAV-DNVJHFABSA-N 1 0 463.711 4.568 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1c1ccccc1F ZINC001451413314 1067169352 /nfs/dbraw/zinc/16/93/52/1067169352.db2.gz VNLUBWDOTNDNCH-GIFXNVAJSA-N 1 0 481.612 4.524 20 0 JJADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C ZINC001451453148 1067172657 /nfs/dbraw/zinc/17/26/57/1067172657.db2.gz GMJGUJHFEHKUBW-UHFFFAOYSA-N 1 0 458.562 4.844 20 0 JJADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001451461023 1067173175 /nfs/dbraw/zinc/17/31/75/1067173175.db2.gz SNQIKZGIFFKQBG-DEOSSOPVSA-N 1 0 456.489 4.673 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545826745 1067176332 /nfs/dbraw/zinc/17/63/32/1067176332.db2.gz SNHABXUFBVSMOF-YADHBBJMSA-N 1 0 468.690 4.823 20 0 JJADRO CCOc1cc(-c2ccccc2)sc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001451567922 1067178509 /nfs/dbraw/zinc/17/85/09/1067178509.db2.gz KFRRNELKLQCLFU-UHFFFAOYSA-N 1 0 450.604 4.571 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545830408 1067181616 /nfs/dbraw/zinc/18/16/16/1067181616.db2.gz UFQJIHGUOSTEFK-VVSUKSJXSA-N 1 0 460.711 4.579 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545830406 1067181651 /nfs/dbraw/zinc/18/16/51/1067181651.db2.gz UFQJIHGUOSTEFK-CUDBPUKSSA-N 1 0 460.711 4.579 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@]1(C)CCCS1 ZINC001545830566 1067182177 /nfs/dbraw/zinc/18/21/77/1067182177.db2.gz XRMJADZFIIBSJN-HHHXNRCGSA-N 1 0 498.741 4.583 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001545830627 1067182340 /nfs/dbraw/zinc/18/23/40/1067182340.db2.gz YXGOGWPYCBTOAW-MISYRCLQSA-N 1 0 460.692 4.576 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001545836128 1067188538 /nfs/dbraw/zinc/18/85/38/1067188538.db2.gz CIGNSTRUKKYNCW-HXUWFJFHSA-N 1 0 468.690 4.652 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)CC2CCCC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001545840861 1067193876 /nfs/dbraw/zinc/19/38/76/1067193876.db2.gz OSSMWHXJYXBQIM-UHFFFAOYSA-N 1 0 490.762 4.575 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001451879780 1067195858 /nfs/dbraw/zinc/19/58/58/1067195858.db2.gz VEDFDQZITNDPEE-SGNDLWITSA-N 1 0 455.643 4.583 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001545848525 1067199974 /nfs/dbraw/zinc/19/99/74/1067199974.db2.gz CASVQVXISFREJK-GBAAUQCPSA-N 1 0 480.701 4.589 20 0 JJADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 ZINC001451966725 1067201223 /nfs/dbraw/zinc/20/12/23/1067201223.db2.gz IUJJLIFLOSKXCN-HSZRJFAPSA-N 1 0 454.014 4.503 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001545848905 1067201783 /nfs/dbraw/zinc/20/17/83/1067201783.db2.gz HVJZRBAESWJNCM-ONTNHIFESA-N 1 0 494.728 4.980 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001545849138 1067202160 /nfs/dbraw/zinc/20/21/60/1067202160.db2.gz KZIKLMKXXSVQCA-PXDATVDWSA-N 1 0 480.701 4.734 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545849380 1067202633 /nfs/dbraw/zinc/20/26/33/1067202633.db2.gz OCIIDLHPGFTKKL-NJDAHSKKSA-N 1 0 474.738 4.825 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001546105107 1067208066 /nfs/dbraw/zinc/20/80/66/1067208066.db2.gz VEKJVLZKOWXSFP-QFIPXVFZSA-N 1 0 491.627 4.920 20 0 JJADRO CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001452180961 1067212698 /nfs/dbraw/zinc/21/26/98/1067212698.db2.gz XUEWBMNAFVNQMH-QUCCMNQESA-N 1 0 468.395 4.742 20 0 JJADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001458970700 1067213129 /nfs/dbraw/zinc/21/31/29/1067213129.db2.gz CXHMRCYAHRIOQH-QFIPXVFZSA-N 1 0 452.501 4.778 20 0 JJADRO CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001452528124 1067231626 /nfs/dbraw/zinc/23/16/26/1067231626.db2.gz ACSGRRHBHOULID-UHFFFAOYSA-N 1 0 455.643 4.537 20 0 JJADRO COC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC001459047962 1067238729 /nfs/dbraw/zinc/23/87/29/1067238729.db2.gz HREXJLXQWHPMBD-XZOQPEGZSA-N 1 0 478.976 4.990 20 0 JJADRO Cc1cc(C)c(C(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Br ZINC001452690656 1067244304 /nfs/dbraw/zinc/24/43/04/1067244304.db2.gz JVDNPXZILRBULB-KDURUIRLSA-N 1 0 459.428 4.947 20 0 JJADRO COc1ccccc1Cn1cnc2cc(C(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)ccc21 ZINC001459072874 1067244810 /nfs/dbraw/zinc/24/48/10/1067244810.db2.gz NBZUIYNRXNRYOS-NFQMXDRXSA-N 1 0 456.590 4.823 20 0 JJADRO COc1ccccc1Cn1cnc2cc(C(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)ccc21 ZINC001459072853 1067244861 /nfs/dbraw/zinc/24/48/61/1067244861.db2.gz NBZUIYNRXNRYOS-DCFHFQCYSA-N 1 0 456.590 4.823 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546105881 1067246311 /nfs/dbraw/zinc/24/63/11/1067246311.db2.gz AEPJZGSCNCZRPJ-OALUTQOASA-N 1 0 475.081 4.898 20 0 JJADRO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001546042871 1067248164 /nfs/dbraw/zinc/24/81/64/1067248164.db2.gz AHHOWBMABZWQAY-QLBJFCOMSA-N 1 0 497.728 4.849 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)[C@@H]3C)c2)n1 ZINC001452767970 1067250085 /nfs/dbraw/zinc/25/00/85/1067250085.db2.gz HHTOXNDSSBQGIL-ACRUOGEOSA-N 1 0 459.594 4.666 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC([NH2+]C(C)C)CC2)O1 ZINC001546045105 1067258497 /nfs/dbraw/zinc/25/84/97/1067258497.db2.gz KYIFKPLDHMZKGN-NYUJMHJJSA-N 1 0 473.637 4.872 20 0 JJADRO O=C(NC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001459186311 1067268268 /nfs/dbraw/zinc/26/82/68/1067268268.db2.gz QZGQHEYAFCZWSU-VXNXHJTFSA-N 1 0 453.508 4.760 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)N(CC(=O)OC)Cc2ccc(C(F)(F)F)cc2)cc1)C(C)C ZINC001459278235 1067281399 /nfs/dbraw/zinc/28/13/99/1067281399.db2.gz INNNAGAMLRXHKA-UHFFFAOYSA-N 1 0 450.501 4.751 20 0 JJADRO CCn1c(Br)ncc1C(=O)N(CCC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC001453169664 1067285443 /nfs/dbraw/zinc/28/54/43/1067285443.db2.gz KGJAUZWIHXJJPL-UHFFFAOYSA-N 1 0 455.828 4.693 20 0 JJADRO Cc1nc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001459317556 1067292797 /nfs/dbraw/zinc/29/27/97/1067292797.db2.gz XHWHFFZGFXGUSH-FQEVSTJZSA-N 1 0 458.393 4.523 20 0 JJADRO CCOC(=O)c1c(NC(=O)C[N@H+](C)CCCc2ccc(OC)cc2)sc2c1CC[C@H](C)C2 ZINC001459348403 1067300115 /nfs/dbraw/zinc/30/01/15/1067300115.db2.gz JHMAAXWINIZTLQ-KRWDZBQOSA-N 1 0 458.624 4.561 20 0 JJADRO CCOC(=O)c1c(NC(=O)C[N@H+](C)CCCc2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 ZINC001459348407 1067300235 /nfs/dbraw/zinc/30/02/35/1067300235.db2.gz JHMAAXWINIZTLQ-QGZVFWFLSA-N 1 0 458.624 4.561 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350432 1067300656 /nfs/dbraw/zinc/30/06/56/1067300656.db2.gz XQGGRMHTCNVDBP-RSXGOPAZSA-N 1 0 452.595 4.861 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2)C1 ZINC001453400568 1067304441 /nfs/dbraw/zinc/30/44/41/1067304441.db2.gz NRRGLWZONFIKJT-NZQKXSOJSA-N 1 0 457.615 4.588 20 0 JJADRO CC(C)[C@H]1CN(C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001453496722 1067309574 /nfs/dbraw/zinc/30/95/74/1067309574.db2.gz NVIALTXBMLWMRQ-XMMPIXPASA-N 1 0 451.611 4.945 20 0 JJADRO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[N@H+](CC)[C@@H](C)C(C)C ZINC001459385212 1067309492 /nfs/dbraw/zinc/30/94/92/1067309492.db2.gz WXVYKQPUSXBQFL-KRWDZBQOSA-N 1 0 459.612 4.790 20 0 JJADRO CC(C)[C@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001453495256 1067309650 /nfs/dbraw/zinc/30/96/50/1067309650.db2.gz KSIMVKDXFHIUBT-RPWUZVMVSA-N 1 0 451.611 4.621 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)Cn2c3ccccc3nc2SC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001453498374 1067309795 /nfs/dbraw/zinc/30/97/95/1067309795.db2.gz SVNCYKFYAUVAJW-NRFANRHFSA-N 1 0 458.578 4.720 20 0 JJADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001453575090 1067315380 /nfs/dbraw/zinc/31/53/80/1067315380.db2.gz GHNKUAFNVSSAHM-LJQANCHMSA-N 1 0 456.662 4.780 20 0 JJADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC001459411854 1067316458 /nfs/dbraw/zinc/31/64/58/1067316458.db2.gz BTMXIVGCGXDCQS-OAHLLOKOSA-N 1 0 459.363 4.870 20 0 JJADRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001459439659 1067325647 /nfs/dbraw/zinc/32/56/47/1067325647.db2.gz IIIUTQFPLDDHHE-FDDCHVKYSA-N 1 0 450.501 4.862 20 0 JJADRO COc1cccc(OC)c1OC[C@H](O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001459451679 1067327208 /nfs/dbraw/zinc/32/72/08/1067327208.db2.gz SDKQVJVHDXWBCC-LJQANCHMSA-N 1 0 453.501 4.907 20 0 JJADRO CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)CC1 ZINC001459462341 1067330128 /nfs/dbraw/zinc/33/01/28/1067330128.db2.gz GHCATBQGRSDTOG-NRFANRHFSA-N 1 0 450.023 4.581 20 0 JJADRO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459510689 1067341727 /nfs/dbraw/zinc/34/17/27/1067341727.db2.gz DARJFHJTTSHQBM-ZRBLBEILSA-N 1 0 459.631 4.755 20 0 JJADRO COc1cccc(C[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C2CCC(O)CC2)c1 ZINC001459529254 1067345845 /nfs/dbraw/zinc/34/58/45/1067345845.db2.gz OTVIGBDHVQEWAD-CBNMVNINSA-N 1 0 454.394 4.547 20 0 JJADRO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001459538322 1067347342 /nfs/dbraw/zinc/34/73/42/1067347342.db2.gz DVVMCFQGUUQONJ-LJQANCHMSA-N 1 0 451.592 4.593 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[C@H](O)c2ccccc21 ZINC001459546342 1067348660 /nfs/dbraw/zinc/34/86/60/1067348660.db2.gz WANUUDOIPFUZIT-JKFKMHIGSA-N 1 0 454.542 4.578 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[C@@H](O)c2ccccc21 ZINC001459546346 1067348701 /nfs/dbraw/zinc/34/87/01/1067348701.db2.gz WANUUDOIPFUZIT-OEOAZWSVSA-N 1 0 454.542 4.578 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561071 1067351848 /nfs/dbraw/zinc/35/18/48/1067351848.db2.gz CEYSZFLXEUSPCS-FYYLOGMGSA-N 1 0 456.428 4.507 20 0 JJADRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC001459567320 1067354169 /nfs/dbraw/zinc/35/41/69/1067354169.db2.gz VBIIOGMAPHRXKL-CZTZKLFOSA-N 1 0 459.512 4.869 20 0 JJADRO CCC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001459574309 1067355286 /nfs/dbraw/zinc/35/52/86/1067355286.db2.gz DWHRILHEANXWSS-LOSJGSFVSA-N 1 0 457.659 4.692 20 0 JJADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC001459582207 1067356241 /nfs/dbraw/zinc/35/62/41/1067356241.db2.gz MPJCRVJWIWUVOX-DOTOQJQBSA-N 1 0 456.484 4.758 20 0 JJADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC001459581696 1067356757 /nfs/dbraw/zinc/35/67/57/1067356757.db2.gz UMPIXCHLFRLSPB-QGZVFWFLSA-N 1 0 454.924 4.728 20 0 JJADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)CCCc2nc(-c3cccs3)no2)CC1 ZINC001459589817 1067358701 /nfs/dbraw/zinc/35/87/01/1067358701.db2.gz HAAGTWROZNRLDH-UHFFFAOYSA-N 1 0 453.612 4.538 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001459605928 1067361043 /nfs/dbraw/zinc/36/10/43/1067361043.db2.gz DWLLZZFTSVJMSB-DEOSSOPVSA-N 1 0 451.014 4.986 20 0 JJADRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)C1 ZINC001459606778 1067361660 /nfs/dbraw/zinc/36/16/60/1067361660.db2.gz HJVUPLFGNLYLDT-HSZRJFAPSA-N 1 0 459.638 4.758 20 0 JJADRO Cc1cc(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611886 1067363533 /nfs/dbraw/zinc/36/35/33/1067363533.db2.gz YTSTVFXNNKGQGR-LEWJYISDSA-N 1 0 456.587 4.688 20 0 JJADRO CCc1ccc(-c2cc(NC(=O)CN(C)[C@@H]3CC[N@@H+](CC)[C@H](C)C3)n(-c3ccccc3)n2)cc1 ZINC001459612447 1067364259 /nfs/dbraw/zinc/36/42/59/1067364259.db2.gz FOSLFPJFTDHEMJ-PXDATVDWSA-N 1 0 459.638 4.845 20 0 JJADRO CC[C@@H]1C[N@H+](Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC001459627877 1067367889 /nfs/dbraw/zinc/36/78/89/1067367889.db2.gz PPVUYANZXZJFEY-KNQAVFIVSA-N 1 0 454.640 4.609 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(Nc3ccccc3Cl)CC2)cc1OC ZINC001459663672 1067375314 /nfs/dbraw/zinc/37/53/14/1067375314.db2.gz OTLYHZLNLCCRAG-JOCHJYFZSA-N 1 0 458.002 4.597 20 0 JJADRO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459664548 1067375970 /nfs/dbraw/zinc/37/59/70/1067375970.db2.gz AFQIBKRKXCLXPN-TUACAJSNSA-N 1 0 454.611 4.639 20 0 JJADRO CCc1ccc(NC(=O)c2nnc(CN3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)s2)cc1 ZINC001459667504 1067377057 /nfs/dbraw/zinc/37/70/57/1067377057.db2.gz GANUZGITACNBRK-LJQANCHMSA-N 1 0 455.672 4.829 20 0 JJADRO CCc1ccc(NC(=O)c2nnc(CN3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)s2)cc1 ZINC001459667502 1067377173 /nfs/dbraw/zinc/37/71/73/1067377173.db2.gz GANUZGITACNBRK-IBGZPJMESA-N 1 0 455.672 4.829 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001459668474 1067377794 /nfs/dbraw/zinc/37/77/94/1067377794.db2.gz HFUBJRNMRLICNO-OFNKIYASSA-N 1 0 451.659 4.793 20 0 JJADRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC001459668586 1067378233 /nfs/dbraw/zinc/37/82/33/1067378233.db2.gz LJDQSUHUWGIHTC-UPVQGACJSA-N 1 0 450.583 4.531 20 0 JJADRO COc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2Br)c1 ZINC001459673896 1067379931 /nfs/dbraw/zinc/37/99/31/1067379931.db2.gz VQMKLQAJVBPTON-ZEQRLZLVSA-N 1 0 456.380 4.727 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@H](c2ccc(CC(C)C)cc2)C(C)C)NC(=O)N[C@@H]1c1ccco1 ZINC001459685608 1067383113 /nfs/dbraw/zinc/38/31/13/1067383113.db2.gz PHQXOJMHJVRFEE-BJKOFHAPSA-N 1 0 453.583 4.636 20 0 JJADRO Cc1ccc(CN(C(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687414 1067383921 /nfs/dbraw/zinc/38/39/21/1067383921.db2.gz PUQMHQVPYDKXRA-ZEQRLZLVSA-N 1 0 455.643 4.740 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)cc1 ZINC001459688395 1067384159 /nfs/dbraw/zinc/38/41/59/1067384159.db2.gz NUIXMDZLFOZGAW-BJMVGYQFSA-N 1 0 458.427 4.942 20 0 JJADRO COc1cc(NC2CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)cc(OC)c1 ZINC001459702922 1067388387 /nfs/dbraw/zinc/38/83/87/1067388387.db2.gz AXDPNIHVXUPFPY-UHFFFAOYSA-N 1 0 453.352 4.561 20 0 JJADRO COc1cc(NC2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc(OC)c1 ZINC001459703852 1067388471 /nfs/dbraw/zinc/38/84/71/1067388471.db2.gz GWGZJAKDKXZOBV-UHFFFAOYSA-N 1 0 452.382 4.916 20 0 JJADRO C[C@@]1(CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001459705280 1067388923 /nfs/dbraw/zinc/38/89/23/1067388923.db2.gz FZCUBGQWSSDBPV-KBMIILLGSA-N 1 0 453.671 4.660 20 0 JJADRO Cc1cc(NC(=O)C[NH2+]C(C)(C)Cc2ccc(Br)cc2)n(-c2ccc(F)cc2)n1 ZINC001459708406 1067390179 /nfs/dbraw/zinc/39/01/79/1067390179.db2.gz VDKDTGNIDHOHTG-UHFFFAOYSA-N 1 0 459.363 4.632 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)CCCC[C@H]12 ZINC001459708556 1067390275 /nfs/dbraw/zinc/39/02/75/1067390275.db2.gz QSHPUZUBVVBDNC-ZDJNHPEVSA-N 1 0 455.643 4.585 20 0 JJADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccccc1Oc1cccc(Br)c1 ZINC001459709344 1067390933 /nfs/dbraw/zinc/39/09/33/1067390933.db2.gz IGHOEPXYGZABNU-KRWDZBQOSA-N 1 0 459.384 4.567 20 0 JJADRO CN(CC(F)F)C1CC[NH+](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)CC1 ZINC001459710139 1067391169 /nfs/dbraw/zinc/39/11/69/1067391169.db2.gz NMYHDGFVPOPQQX-OAQYLSRUSA-N 1 0 453.371 4.811 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001459710100 1067391183 /nfs/dbraw/zinc/39/11/83/1067391183.db2.gz XYJNJZCWYGUURN-VMODYCNZSA-N 1 0 457.659 4.879 20 0 JJADRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001459722942 1067395998 /nfs/dbraw/zinc/39/59/98/1067395998.db2.gz UDAWZOAXSUDYNQ-IBVKSMDESA-N 1 0 458.647 4.679 20 0 JJADRO COc1ccc(-c2nc(C[N@H+](C)C3CCN(C(=O)c4ccccc4)CC3)cs2)c(OC)c1 ZINC001459736923 1067399834 /nfs/dbraw/zinc/39/98/34/1067399834.db2.gz OXISKEVPOXZVOH-UHFFFAOYSA-N 1 0 451.592 4.564 20 0 JJADRO O=C(C[N@@H+](Cc1cccc(F)c1)C1CCCC1)Nc1ccc(I)cc1 ZINC001459739497 1067400386 /nfs/dbraw/zinc/40/03/86/1067400386.db2.gz IXUPTDYBTYXPRC-UHFFFAOYSA-N 1 0 452.311 4.814 20 0 JJADRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001459750004 1067405290 /nfs/dbraw/zinc/40/52/90/1067405290.db2.gz YKGXAASYZZGWFO-UHFFFAOYSA-N 1 0 452.595 4.935 20 0 JJADRO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC001459762313 1067412529 /nfs/dbraw/zinc/41/25/29/1067412529.db2.gz IEJJBUTUONQTAJ-NOZRDPDXSA-N 1 0 459.508 4.989 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001459764694 1067413454 /nfs/dbraw/zinc/41/34/54/1067413454.db2.gz MSTYXIMJVYITSV-ZSQFBXSQSA-N 1 0 479.665 4.972 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([NH+]2CCC(OCc3ccccc3F)CC2)[C@@H](O)c2ccccc21 ZINC001459771999 1067416070 /nfs/dbraw/zinc/41/60/70/1067416070.db2.gz BLMWRHTVWSEFTD-ZEQRLZLVSA-N 1 0 456.558 4.664 20 0 JJADRO CCCOc1cccc(CNC(=O)C[NH+]2CCC(C)(c3cccc(Br)c3)CC2)c1 ZINC001459774803 1067416788 /nfs/dbraw/zinc/41/67/88/1067416788.db2.gz ALTCGCIMCYCPDW-UHFFFAOYSA-N 1 0 459.428 4.908 20 0 JJADRO CN(C(=O)CN(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1)c1nc2ccccc2s1 ZINC001459775593 1067417090 /nfs/dbraw/zinc/41/70/90/1067417090.db2.gz TXJXAEGSYXIJNS-UHFFFAOYSA-N 1 0 458.631 4.893 20 0 JJADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(c3cccc(Br)c3)CC2)c1 ZINC001459782247 1067419015 /nfs/dbraw/zinc/41/90/15/1067419015.db2.gz WLUYGADXTIVIDC-MRXNPFEDSA-N 1 0 458.400 4.788 20 0 JJADRO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C ZINC001459784849 1067420990 /nfs/dbraw/zinc/42/09/90/1067420990.db2.gz GNZKBFIBXFRYAO-PIKZIKFNSA-N 1 0 455.602 4.842 20 0 JJADRO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788373 1067422886 /nfs/dbraw/zinc/42/28/86/1067422886.db2.gz BODVOTWSWPFRQT-JPYJTQIMSA-N 1 0 454.018 4.868 20 0 JJADRO O[C@@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790041 1067423293 /nfs/dbraw/zinc/42/32/93/1067423293.db2.gz ZKKJHUSHDZXZJE-CHWSQXEVSA-N 1 0 454.436 4.800 20 0 JJADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c1 ZINC001459795055 1067427180 /nfs/dbraw/zinc/42/71/80/1067427180.db2.gz FFNJFOJRKRWEFQ-YIXXDRMTSA-N 1 0 451.994 4.724 20 0 JJADRO O=C(CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)Nc1cccc(Br)c1 ZINC001459795344 1067427624 /nfs/dbraw/zinc/42/76/24/1067427624.db2.gz GHBJPMCMIKUIKZ-UHFFFAOYSA-N 1 0 456.306 4.619 20 0 JJADRO Cc1cccc(Oc2ccc(NC(=O)CN3CCC(CCC[NH+]4CCOCC4)CC3)cc2)c1 ZINC001459809010 1067432338 /nfs/dbraw/zinc/43/23/38/1067432338.db2.gz WJBUYOZPQPNMJK-UHFFFAOYSA-N 1 0 451.611 4.550 20 0 JJADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459810988 1067433359 /nfs/dbraw/zinc/43/33/59/1067433359.db2.gz UFHFXAJYACARCO-NFBKMPQASA-N 1 0 454.014 4.759 20 0 JJADRO Cc1ccc(N(C)[C@H]2CCC[N@H+](CC(=O)NCc3ccccc3COc3ccccc3)C2)cc1 ZINC001459816054 1067435939 /nfs/dbraw/zinc/43/59/39/1067435939.db2.gz FCVSUGFFCNAMFL-MHZLTWQESA-N 1 0 457.618 4.791 20 0 JJADRO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](O)c1cc(OC)ccc1OC ZINC001459819661 1067437574 /nfs/dbraw/zinc/43/75/74/1067437574.db2.gz IMZBUSQOPPUMEZ-SIKLNZKXSA-N 1 0 452.517 4.747 20 0 JJADRO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1C[C@H](O)c1cc(OC)ccc1OC ZINC001459819657 1067437691 /nfs/dbraw/zinc/43/76/91/1067437691.db2.gz IMZBUSQOPPUMEZ-KNQAVFIVSA-N 1 0 452.517 4.747 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC001459823449 1067440188 /nfs/dbraw/zinc/44/01/88/1067440188.db2.gz ASXGHUGSXXGTTR-UONOGXRCSA-N 1 0 454.373 4.771 20 0 JJADRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@H](CC(C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC001459825221 1067440780 /nfs/dbraw/zinc/44/07/80/1067440780.db2.gz JTOTZDYRBGOZTJ-HXUWFJFHSA-N 1 0 451.489 4.877 20 0 JJADRO Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC001459827104 1067441149 /nfs/dbraw/zinc/44/11/49/1067441149.db2.gz PUHNHXOAIUJCBE-KRWDZBQOSA-N 1 0 451.995 4.952 20 0 JJADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001459827753 1067441713 /nfs/dbraw/zinc/44/17/13/1067441713.db2.gz WEMHUHUWRLTFDL-QHCPKHFHSA-N 1 0 459.700 4.858 20 0 JJADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC001459828897 1067442303 /nfs/dbraw/zinc/44/23/03/1067442303.db2.gz SMBABAKIDIUYEB-INIZCTEOSA-N 1 0 458.400 4.654 20 0 JJADRO CCC1(CC)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCCC2)C1 ZINC001546112129 1067443276 /nfs/dbraw/zinc/44/32/76/1067443276.db2.gz DUVBFYUZNPHUQJ-NRFANRHFSA-N 1 0 474.694 4.853 20 0 JJADRO COc1ccc(NC(=O)C[N@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)c(OC)c1 ZINC001459831385 1067444297 /nfs/dbraw/zinc/44/42/97/1067444297.db2.gz CRRDNYPFJXCVGQ-AVRDEDQJSA-N 1 0 456.583 4.740 20 0 JJADRO CC(C)(C)C[C@@H]([NH2+]CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccc(F)cc1 ZINC001459832417 1067444395 /nfs/dbraw/zinc/44/43/95/1067444395.db2.gz URCQGWSQUHMDFC-OAQYLSRUSA-N 1 0 454.525 4.524 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@H](c2ccccc2C)C2CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459833194 1067444750 /nfs/dbraw/zinc/44/47/50/1067444750.db2.gz JFGCIULODKPBAY-GOTSBHOMSA-N 1 0 453.970 4.560 20 0 JJADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCCO2 ZINC001459837885 1067446825 /nfs/dbraw/zinc/44/68/25/1067446825.db2.gz WNZCCNIOEGBOEZ-ACJLOTCBSA-N 1 0 459.518 4.927 20 0 JJADRO COc1ccc([C@@H](CCO)[NH2+]C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC001459837634 1067446857 /nfs/dbraw/zinc/44/68/57/1067446857.db2.gz FSQYPVMIJMTUQO-DNQXCXABSA-N 1 0 456.380 4.871 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH2+][C@@H](COc3ccccc3F)C(C)(C)C)C2)C1 ZINC001459842163 1067449064 /nfs/dbraw/zinc/44/90/64/1067449064.db2.gz ZBLSNKKITKOEAL-CTIGNXTNSA-N 1 0 450.595 4.625 20 0 JJADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 ZINC001459843957 1067450539 /nfs/dbraw/zinc/45/05/39/1067450539.db2.gz YVADTEZDBSFYFJ-HRAATJIYSA-N 1 0 458.400 4.871 20 0 JJADRO CC(C)(C)C[C@H]([NH2+]C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)c1ccc(Cl)cc1 ZINC001459845625 1067451374 /nfs/dbraw/zinc/45/13/74/1067451374.db2.gz SQTDEUVQFOCMLM-MOPGFXCFSA-N 1 0 451.007 4.960 20 0 JJADRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459848188 1067453741 /nfs/dbraw/zinc/45/37/41/1067453741.db2.gz GKJYVAYXLMSTGP-QZTJIDSGSA-N 1 0 459.575 4.864 20 0 JJADRO CN(C)c1ncc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC001459848971 1067454040 /nfs/dbraw/zinc/45/40/40/1067454040.db2.gz VOWFWWBHHAOZRO-JOCHJYFZSA-N 1 0 456.512 4.773 20 0 JJADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1F ZINC001459848901 1067454100 /nfs/dbraw/zinc/45/41/00/1067454100.db2.gz VHMHEUIATYKYNX-RBUKOAKNSA-N 1 0 451.542 4.506 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@@H](c2ccccc2C)C(C)C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459850084 1067454970 /nfs/dbraw/zinc/45/49/70/1067454970.db2.gz NASRGFJXJXYMMQ-DHIUTWEWSA-N 1 0 455.986 4.806 20 0 JJADRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC001459851810 1067456143 /nfs/dbraw/zinc/45/61/43/1067456143.db2.gz HGZOOBJSQFNWGE-SFTDATJTSA-N 1 0 451.394 4.769 20 0 JJADRO CC[C@@H](C)[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459850857 1067456186 /nfs/dbraw/zinc/45/61/86/1067456186.db2.gz OLJDDRKVUWPTGM-KBMIEXCESA-N 1 0 456.030 4.764 20 0 JJADRO CCOC(=O)c1c(NC(=O)C[NH2+][C@H](C)C2CCOCC2)sc(Cl)c1-c1ccccc1 ZINC001459855657 1067458815 /nfs/dbraw/zinc/45/88/15/1067458815.db2.gz YDGYSCMLAGBVSG-CQSZACIVSA-N 1 0 450.988 4.588 20 0 JJADRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccncc1 ZINC001459855334 1067458820 /nfs/dbraw/zinc/45/88/20/1067458820.db2.gz VDKJWEBYVCWTJB-PZJWPPBQSA-N 1 0 455.599 4.967 20 0 JJADRO Cc1ccc(CCC2CCN(C(=O)C[NH2+][C@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 ZINC001459866768 1067463979 /nfs/dbraw/zinc/46/39/79/1067463979.db2.gz RQDWSEBXCQAZDC-NDEPHWFRSA-N 1 0 450.623 4.924 20 0 JJADRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccccc1 ZINC001459868024 1067465317 /nfs/dbraw/zinc/46/53/17/1067465317.db2.gz ZQMCBOWSGYNBAE-XMMPIXPASA-N 1 0 457.640 4.709 20 0 JJADRO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC001459869826 1067466345 /nfs/dbraw/zinc/46/63/45/1067466345.db2.gz MQSVYGILOLWFOH-FXAWDEMLSA-N 1 0 459.468 4.909 20 0 JJADRO C[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870452 1067466782 /nfs/dbraw/zinc/46/67/82/1067466782.db2.gz NMFVYFZNKJULBX-YADHBBJMSA-N 1 0 452.542 4.914 20 0 JJADRO COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459871317 1067467821 /nfs/dbraw/zinc/46/78/21/1067467821.db2.gz REVYSOUHTAZJPY-VAMGGRTRSA-N 1 0 453.501 4.730 20 0 JJADRO CCC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc(C(F)(F)F)c1 ZINC001459876449 1067469369 /nfs/dbraw/zinc/46/93/69/1067469369.db2.gz HSFFFGBXXFLLAS-MRXNPFEDSA-N 1 0 453.530 4.814 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001546112419 1067469883 /nfs/dbraw/zinc/46/98/83/1067469883.db2.gz QOAVCNAETUQXRI-QHCPKHFHSA-N 1 0 463.674 4.677 20 0 JJADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)NC(=O)Nc3cccc(C)c3C)s2)cc1 ZINC001459898287 1067478669 /nfs/dbraw/zinc/47/86/69/1067478669.db2.gz CDAZCPAJFAZCHK-INIZCTEOSA-N 1 0 452.580 4.743 20 0 JJADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCN3CCN(c4ccccc4)CC3)s2)cc1 ZINC001459899861 1067479682 /nfs/dbraw/zinc/47/96/82/1067479682.db2.gz HYOCGBCOBJFWDO-HXUWFJFHSA-N 1 0 450.652 4.990 20 0 JJADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)NCCc3ccc(OC(F)(F)F)cc3)c(C)c2c1 ZINC001459901031 1067480397 /nfs/dbraw/zinc/48/03/97/1067480397.db2.gz FHMQQEFGJQXMCB-OAHLLOKOSA-N 1 0 450.457 4.658 20 0 JJADRO COc1ccc2oc([C@@H](C)[NH2+]CCS(=O)(=O)c3cccc(Br)c3)c(C)c2c1 ZINC001459907143 1067483653 /nfs/dbraw/zinc/48/36/53/1067483653.db2.gz XZXPKMQVBIAKMJ-CQSZACIVSA-N 1 0 452.370 4.637 20 0 JJADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459909856 1067485053 /nfs/dbraw/zinc/48/50/53/1067485053.db2.gz ZFODAYAIGLMAAO-IEBWSBKVSA-N 1 0 452.599 4.646 20 0 JJADRO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001459910001 1067485069 /nfs/dbraw/zinc/48/50/69/1067485069.db2.gz UCPPYOMDCJUSTD-ASHZAFPQSA-N 1 0 451.611 4.738 20 0 JJADRO CC[C@H]1CN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459918253 1067490304 /nfs/dbraw/zinc/49/03/04/1067490304.db2.gz XJLAEZCFRCIOFO-ZEQRLZLVSA-N 1 0 459.556 4.793 20 0 JJADRO O=C(CC[NH+]1CCC(Oc2cccc(Br)c2)CC1)N[C@@H]1CCCc2ccccc21 ZINC001459924594 1067493838 /nfs/dbraw/zinc/49/38/38/1067493838.db2.gz PCXITVAYLAVCMZ-HSZRJFAPSA-N 1 0 457.412 4.876 20 0 JJADRO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[NH2+][C@H](CO)C3CCCCC3)nc2c1C ZINC001459932868 1067496879 /nfs/dbraw/zinc/49/68/79/1067496879.db2.gz NHNMPQRSZQLQPH-JOCHJYFZSA-N 1 0 451.636 4.977 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2c(F)ccc(C)c2Br)c1 ZINC001459933815 1067497423 /nfs/dbraw/zinc/49/74/23/1067497423.db2.gz JBIJRTBVUIYGEQ-UHFFFAOYSA-N 1 0 451.336 4.648 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@H](CN[C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459935385 1067497896 /nfs/dbraw/zinc/49/78/96/1067497896.db2.gz UYKJRROYSQYHQF-UKILVPOCSA-N 1 0 453.424 4.988 20 0 JJADRO CC(C)N1C(=O)C[C@H]([NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459951062 1067504363 /nfs/dbraw/zinc/50/43/63/1067504363.db2.gz OSESNFQXOOAYSS-XFSCSUFISA-N 1 0 468.013 4.813 20 0 JJADRO CO[C@H](C)c1noc(CN2CCCC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959517 1067507557 /nfs/dbraw/zinc/50/75/57/1067507557.db2.gz COQQSPNQXYJHTF-NRSPTQNISA-N 1 0 458.603 4.515 20 0 JJADRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC001459971279 1067510818 /nfs/dbraw/zinc/51/08/18/1067510818.db2.gz QNEPDDUMPXAHFP-MOPGFXCFSA-N 1 0 458.628 4.520 20 0 JJADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001459971925 1067511075 /nfs/dbraw/zinc/51/10/75/1067511075.db2.gz JIDHGDSLMRYFSA-WMZHIEFXSA-N 1 0 457.533 4.671 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC001459989477 1067517021 /nfs/dbraw/zinc/51/70/21/1067517021.db2.gz UVDMOOFOQKKMDT-WIYYLYMNSA-N 1 0 458.002 4.537 20 0 JJADRO COc1ccc(N=c2scc(CN(C)CC3([NH+](C)C)CCC3)n2Cc2ccccc2)cc1 ZINC001459992495 1067518492 /nfs/dbraw/zinc/51/84/92/1067518492.db2.gz OPBIDPRBGHFKMJ-UHFFFAOYSA-N 1 0 450.652 4.755 20 0 JJADRO CS(=O)(=O)c1ccc(OCCC[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1 ZINC001459993962 1067518815 /nfs/dbraw/zinc/51/88/15/1067518815.db2.gz HJURTUGZWVLYPS-HXUWFJFHSA-N 1 0 456.377 4.502 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC001460009008 1067525697 /nfs/dbraw/zinc/52/56/97/1067525697.db2.gz PCBDVTJTXWEAMO-WIOPSUGQSA-N 1 0 457.640 4.581 20 0 JJADRO CC(C)c1ccc(CN(C(=O)C[N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC001460014509 1067527586 /nfs/dbraw/zinc/52/75/86/1067527586.db2.gz FZSVYSWASCKDED-OAQYLSRUSA-N 1 0 457.659 4.928 20 0 JJADRO OC[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)c1ccc(Cl)cc1C(F)(F)F ZINC001460020017 1067530544 /nfs/dbraw/zinc/53/05/44/1067530544.db2.gz WBKUDDMQRMCTDR-CVEARBPZSA-N 1 0 456.661 4.617 20 0 JJADRO OC[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)c1ccc(Cl)cc1C(F)(F)F ZINC001460020059 1067530695 /nfs/dbraw/zinc/53/06/95/1067530695.db2.gz WBKUDDMQRMCTDR-JKSUJKDBSA-N 1 0 456.661 4.617 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001460020305 1067530941 /nfs/dbraw/zinc/53/09/41/1067530941.db2.gz VSKMVHJAGWWGKS-OAQYLSRUSA-N 1 0 459.631 4.662 20 0 JJADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C3CCCC3)cs2)cc1 ZINC001460024334 1067532149 /nfs/dbraw/zinc/53/21/49/1067532149.db2.gz INFCBAXKVRNXAM-FQEVSTJZSA-N 1 0 459.612 4.770 20 0 JJADRO C[C@H]1CCc2c(sc3nc(C[NH2+][C@H]4CCN(C(=O)OC(C)(C)C)CC4(C)C)nc(N)c32)C1 ZINC001460024538 1067532269 /nfs/dbraw/zinc/53/22/69/1067532269.db2.gz XAMLXLBOBVSQLO-YOEHRIQHSA-N 1 0 459.660 4.524 20 0 JJADRO O=C(C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1)NC1CCC2(CC1)OCCO2 ZINC001460025037 1067532680 /nfs/dbraw/zinc/53/26/80/1067532680.db2.gz XTVCMLYRQWHJHA-JOCHJYFZSA-N 1 0 454.533 4.718 20 0 JJADRO CC1(c2ccc(Cl)cc2)CC[NH+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001460055673 1067540572 /nfs/dbraw/zinc/54/05/72/1067540572.db2.gz AUHFWTTXGNQQCS-UHFFFAOYSA-N 1 0 454.920 4.951 20 0 JJADRO CC1(c2ccc(Cl)cc2)CC[NH+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC001460056832 1067540908 /nfs/dbraw/zinc/54/09/08/1067540908.db2.gz GBILXSSHNIXHGE-UHFFFAOYSA-N 1 0 454.920 4.908 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC001460058724 1067541369 /nfs/dbraw/zinc/54/13/69/1067541369.db2.gz BRBLFXOMVYVLIU-JOCHJYFZSA-N 1 0 458.562 4.551 20 0 JJADRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)C12CCCC2 ZINC001460072964 1067546523 /nfs/dbraw/zinc/54/65/23/1067546523.db2.gz CMIXLCIEEUCDPG-FCHUYYIVSA-N 1 0 455.986 4.858 20 0 JJADRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)C12CCCC2 ZINC001460072972 1067546567 /nfs/dbraw/zinc/54/65/67/1067546567.db2.gz CMIXLCIEEUCDPG-YADHBBJMSA-N 1 0 455.986 4.858 20 0 JJADRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460073789 1067546794 /nfs/dbraw/zinc/54/67/94/1067546794.db2.gz SYALRJSEMJCGLF-HFJQGTKSSA-N 1 0 456.549 4.984 20 0 JJADRO CC[C@@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(OC)c(OC)c1 ZINC001460076722 1067548052 /nfs/dbraw/zinc/54/80/52/1067548052.db2.gz FUZIIWPTCPKVDP-RLWLMLJZSA-N 1 0 450.604 4.980 20 0 JJADRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(Br)cc4cccnc43)CC2)c1C ZINC001460081356 1067548848 /nfs/dbraw/zinc/54/88/48/1067548848.db2.gz GAIJWOXKTAUVEF-UHFFFAOYSA-N 1 0 457.372 4.516 20 0 JJADRO O=C(CCCc1ccccc1)N[C@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001460083769 1067549253 /nfs/dbraw/zinc/54/92/53/1067549253.db2.gz VZELAMQVENHJTA-QFIPXVFZSA-N 1 0 452.986 4.536 20 0 JJADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC001460087390 1067550655 /nfs/dbraw/zinc/55/06/55/1067550655.db2.gz ZSITZGICJSPDPF-HHHXNRCGSA-N 1 0 455.593 4.591 20 0 JJADRO COc1ccc(CN2CCCN(C(=O)C[N@H+](CC(C)C)[C@H](C)c3ccccc3C)CC2)cc1 ZINC001460087703 1067550880 /nfs/dbraw/zinc/55/08/80/1067550880.db2.gz BTSKNOPPBJLJJQ-XMMPIXPASA-N 1 0 451.655 4.757 20 0 JJADRO CC(C)c1ccc(CN(C(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)C2CC2)cc1 ZINC001460090506 1067552236 /nfs/dbraw/zinc/55/22/36/1067552236.db2.gz PPRZMPTUEXQJPR-XMMPIXPASA-N 1 0 459.428 4.561 20 0 JJADRO COc1ccc(N=c2scc(C[N@@H+]3CCCCC[C@H]3CCO)n2Cc2ccccc2)cc1 ZINC001460093033 1067552537 /nfs/dbraw/zinc/55/25/37/1067552537.db2.gz HMZDJLBQXPCWJO-QHCPKHFHSA-N 1 0 451.636 4.966 20 0 JJADRO COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001460094667 1067552976 /nfs/dbraw/zinc/55/29/76/1067552976.db2.gz LXYUBSHLFYOUQX-MDKPJZGXSA-N 1 0 472.427 4.730 20 0 JJADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110534 1067556916 /nfs/dbraw/zinc/55/69/16/1067556916.db2.gz PLWRPNAPQJRLTD-FHWLQOOXSA-N 1 0 450.023 4.944 20 0 JJADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110545 1067557072 /nfs/dbraw/zinc/55/70/72/1067557072.db2.gz PLWRPNAPQJRLTD-OTWHNJEPSA-N 1 0 450.023 4.944 20 0 JJADRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccc(Cl)cc1 ZINC001460113647 1067558083 /nfs/dbraw/zinc/55/80/83/1067558083.db2.gz VJNCQFUCXFVLPB-SFTDATJTSA-N 1 0 454.920 4.807 20 0 JJADRO Cc1cc(Br)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001460116561 1067558644 /nfs/dbraw/zinc/55/86/44/1067558644.db2.gz WOXSRVRBNPFQSZ-UXHICEINSA-N 1 0 453.421 4.652 20 0 JJADRO C[C@H](NC(=O)C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001460130109 1067560976 /nfs/dbraw/zinc/56/09/76/1067560976.db2.gz ZVGBXNZPUIEQMC-NDXORKPFSA-N 1 0 450.501 4.736 20 0 JJADRO Ic1cccc(C[C@@H]2CC[N@H+](Cc3nccn3Cc3ccccc3)C2)c1 ZINC001460135751 1067562028 /nfs/dbraw/zinc/56/20/28/1067562028.db2.gz NVLNJHLKIQWQMU-FQEVSTJZSA-N 1 0 457.359 4.601 20 0 JJADRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@@H]3O)C2)cc1 ZINC001460136807 1067562466 /nfs/dbraw/zinc/56/24/66/1067562466.db2.gz SRAHMYOFOHKAJM-OPXMRZJTSA-N 1 0 452.595 4.807 20 0 JJADRO O=C1[C@@H]([N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137619 1067562750 /nfs/dbraw/zinc/56/27/50/1067562750.db2.gz HISSHWMGDKCUMY-YWZLYKJASA-N 1 0 451.767 4.912 20 0 JJADRO O=C(C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC001460143081 1067563779 /nfs/dbraw/zinc/56/37/79/1067563779.db2.gz VKDDQFIZNYGKBO-FYYLOGMGSA-N 1 0 452.492 4.905 20 0 JJADRO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157906 1067566760 /nfs/dbraw/zinc/56/67/60/1067566760.db2.gz NLGVZFCKYRAHPP-RTBURBONSA-N 1 0 450.023 4.946 20 0 JJADRO CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460160993 1067567752 /nfs/dbraw/zinc/56/77/52/1067567752.db2.gz ZDLJMYSTVVODTO-SFTDATJTSA-N 1 0 459.631 4.773 20 0 JJADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)CCc3cccc(Br)c3)cc(=O)oc2c1 ZINC001460170300 1067569251 /nfs/dbraw/zinc/56/92/51/1067569251.db2.gz JINQQSQSRLOVSZ-UHFFFAOYSA-N 1 0 459.340 4.798 20 0 JJADRO COc1ccc(-c2csc(NC(=O)[C@H](C)[NH2+][C@@H](C)c3ccc(OC)c(OC)c3C)n2)cc1 ZINC001460171829 1067569750 /nfs/dbraw/zinc/56/97/50/1067569750.db2.gz BNRGCUQDQCTNGQ-HOTGVXAUSA-N 1 0 455.580 4.822 20 0 JJADRO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+]C(C)(C)c1ccc(Br)c(C)c1 ZINC001460175430 1067570914 /nfs/dbraw/zinc/57/09/14/1067570914.db2.gz NIOUJTQEMOIFDR-UHFFFAOYSA-N 1 0 453.402 4.686 20 0 JJADRO O[C@@H](c1ccc(Br)cc1)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001460182532 1067573322 /nfs/dbraw/zinc/57/33/22/1067573322.db2.gz AKEUWEQQYOEQLJ-DBVUQKKJSA-N 1 0 458.318 4.947 20 0 JJADRO Cc1cc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2C(=O)NC2CC2)ccc1Br ZINC001460187299 1067574607 /nfs/dbraw/zinc/57/46/07/1067574607.db2.gz HCTTYIMDQLHHDL-UHFFFAOYSA-N 1 0 458.400 4.503 20 0 JJADRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460192926 1067576075 /nfs/dbraw/zinc/57/60/75/1067576075.db2.gz AXKVHWRMFBXXDH-VABKMULXSA-N 1 0 458.643 4.971 20 0 JJADRO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001460197549 1067576763 /nfs/dbraw/zinc/57/67/63/1067576763.db2.gz NPRMNTQICQNPIQ-FQEVSTJZSA-N 1 0 451.007 4.957 20 0 JJADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3ccc(Sc4cc(C)ccc4C)cc3)[C@@H]2C1 ZINC001460198167 1067576857 /nfs/dbraw/zinc/57/68/57/1067576857.db2.gz VTUAXFSBDGJKHC-TUACAJSNSA-N 1 0 451.636 4.630 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001460199961 1067577558 /nfs/dbraw/zinc/57/75/58/1067577558.db2.gz UALHGLDKHTVITI-OAQYLSRUSA-N 1 0 451.652 4.603 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001460199960 1067577678 /nfs/dbraw/zinc/57/76/78/1067577678.db2.gz UALHGLDKHTVITI-NRFANRHFSA-N 1 0 451.652 4.603 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+](C)C(C)C)CCS1 ZINC001546114703 1067581892 /nfs/dbraw/zinc/58/18/92/1067581892.db2.gz CILLDUAOJDADFV-UHFFFAOYSA-N 1 0 467.630 4.999 20 0 JJADRO O=C(OCc1ccccc1)N1CCC(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC001460220822 1067582814 /nfs/dbraw/zinc/58/28/14/1067582814.db2.gz LXNOVPYQFNQHCK-OAQYLSRUSA-N 1 0 454.533 4.716 20 0 JJADRO COC(=O)[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC001460221455 1067582982 /nfs/dbraw/zinc/58/29/82/1067582982.db2.gz KICSRKLTVSFZBZ-ISJGIBHGSA-N 1 0 452.957 4.951 20 0 JJADRO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cc1 ZINC001460224389 1067583409 /nfs/dbraw/zinc/58/34/09/1067583409.db2.gz AJESOZFZINWATK-DSNGMDLFSA-N 1 0 463.622 4.945 20 0 JJADRO CCCC[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)Nc1cc(C)on1 ZINC001460222208 1067583606 /nfs/dbraw/zinc/58/36/06/1067583606.db2.gz QQVMMCQHTKBFPU-CCDWMCETSA-N 1 0 464.585 4.877 20 0 JJADRO C[N@H+](C[C@@H](O)c1cccc(Br)c1)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001460237364 1067587335 /nfs/dbraw/zinc/58/73/35/1067587335.db2.gz ALXXHTYYLRGTNJ-MBOZVWFJSA-N 1 0 455.437 4.745 20 0 JJADRO C[C@@H](NC(=O)C[NH+]1CCC(Cc2cc(F)ccc2F)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001460237192 1067587434 /nfs/dbraw/zinc/58/74/34/1067587434.db2.gz XPISVFNGOXDSGZ-OAHLLOKOSA-N 1 0 456.455 4.995 20 0 JJADRO COc1ccc([C@H](O)C[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@H](C)Cc2ccccc2)cc1 ZINC001460238561 1067587680 /nfs/dbraw/zinc/58/76/80/1067587680.db2.gz IVQJASRLGWDRJY-BVZBTYANSA-N 1 0 452.639 4.699 20 0 JJADRO C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460240535 1067589023 /nfs/dbraw/zinc/58/90/23/1067589023.db2.gz LTMXLYJYNHGKRD-SJORKVTESA-N 1 0 456.562 4.622 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH2+][C@@H](c3ccccc3)C3(CO)CCCCC3)C2)C1 ZINC001460248500 1067591040 /nfs/dbraw/zinc/59/10/40/1067591040.db2.gz QSBPCZJKHYZYLT-JCYRPKCISA-N 1 0 458.643 4.676 20 0 JJADRO CN(CCC[N@H+](C)Cc1ccc(I)c(Cl)c1)C(=O)OC(C)(C)C ZINC001460252373 1067591900 /nfs/dbraw/zinc/59/19/00/1067591900.db2.gz ODTUENLUUUYCTA-UHFFFAOYSA-N 1 0 452.764 4.633 20 0 JJADRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260980 1067592822 /nfs/dbraw/zinc/59/28/22/1067592822.db2.gz XLIBBJODNADTBE-QFBILLFUSA-N 1 0 456.505 4.524 20 0 JJADRO COC(=O)[C@@H]1CN([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279893 1067596985 /nfs/dbraw/zinc/59/69/85/1067596985.db2.gz VGNZVJMPVVLYND-GCRLEYHISA-N 1 0 466.528 4.572 20 0 JJADRO OCC[C@H]([NH2+]Cc1ccc(OCc2ccccc2F)nc1)c1cccc(OC(F)(F)F)c1 ZINC001460292043 1067600023 /nfs/dbraw/zinc/60/00/23/1067600023.db2.gz NCVUYTLURIPTLS-NRFANRHFSA-N 1 0 450.432 4.912 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccn2)C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC001460305123 1067603255 /nfs/dbraw/zinc/60/32/55/1067603255.db2.gz NJGXNUUYBBOVFO-VQTJNVASSA-N 1 0 457.537 4.783 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccn2)C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC001460305125 1067603343 /nfs/dbraw/zinc/60/33/43/1067603343.db2.gz NJGXNUUYBBOVFO-WOJBJXKFSA-N 1 0 457.537 4.783 20 0 JJADRO CC(C)c1ccc(CN(C(=O)C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)C2CC2)cc1 ZINC001460306018 1067603791 /nfs/dbraw/zinc/60/37/91/1067603791.db2.gz SGMFLOXFEYFTFJ-UHFFFAOYSA-N 1 0 458.643 4.514 20 0 JJADRO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1C ZINC001460308077 1067604325 /nfs/dbraw/zinc/60/43/25/1067604325.db2.gz MQCQTKHJUDWUEI-DXIQSLLYSA-N 1 0 455.599 4.723 20 0 JJADRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@H]1c1ccc(O)cc1 ZINC001460308763 1067604633 /nfs/dbraw/zinc/60/46/33/1067604633.db2.gz RJGGIFLMZOCKFV-OCBCSQNSSA-N 1 0 462.333 4.699 20 0 JJADRO Cc1ccc(Br)nc1C(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001460325332 1067608551 /nfs/dbraw/zinc/60/85/51/1067608551.db2.gz MUORHXYJAAQOIN-OAQYLSRUSA-N 1 0 458.444 4.958 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC001460327860 1067609461 /nfs/dbraw/zinc/60/94/61/1067609461.db2.gz YVWXQIXKLUKATP-LOSJGSFVSA-N 1 0 451.630 4.844 20 0 JJADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001460356992 1067616915 /nfs/dbraw/zinc/61/69/15/1067616915.db2.gz UDNUPTBCAZMSTH-NQIIRXRSSA-N 1 0 455.624 4.535 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C12CCCC2 ZINC001460359291 1067617920 /nfs/dbraw/zinc/61/79/20/1067617920.db2.gz BROIXWRSKDYJBB-KRWDZBQOSA-N 1 0 453.377 4.590 20 0 JJADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C34CCCC4)co2)cc1 ZINC001460370279 1067620441 /nfs/dbraw/zinc/62/04/41/1067620441.db2.gz UIAUBHJOGXYPFU-HXUWFJFHSA-N 1 0 455.555 4.540 20 0 JJADRO CC(C)N(C(=O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C1CCCC1 ZINC001460388216 1067623671 /nfs/dbraw/zinc/62/36/71/1067623671.db2.gz FTIYYODHTNGALD-DHIUTWEWSA-N 1 0 461.622 4.688 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CCCCCn2cccn2)cc1F ZINC001460387839 1067623734 /nfs/dbraw/zinc/62/37/34/1067623734.db2.gz CEKCCCJFUKHFJL-UNMCSNQZSA-N 1 0 460.594 4.584 20 0 JJADRO COC(=O)c1oc([C@@H](C)[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1C ZINC001460389273 1067624560 /nfs/dbraw/zinc/62/45/60/1067624560.db2.gz JYFOVQMIEZVCIY-NSISKUIASA-N 1 0 460.546 4.958 20 0 JJADRO Cc1cccc(NC(=O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c1C ZINC001460393869 1067625781 /nfs/dbraw/zinc/62/57/81/1067625781.db2.gz XSZBBSKCKUUZRA-FYYLOGMGSA-N 1 0 455.574 4.764 20 0 JJADRO COc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC001460411865 1067630094 /nfs/dbraw/zinc/63/00/94/1067630094.db2.gz SGNWZEVXGSPDFS-LJQANCHMSA-N 1 0 456.587 4.604 20 0 JJADRO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413015 1067630159 /nfs/dbraw/zinc/63/01/59/1067630159.db2.gz UDOVNMUFFQQLEB-AEFFLSMTSA-N 1 0 451.558 4.651 20 0 JJADRO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)Cc2ccccc2)c(C)c1 ZINC001460478573 1067641757 /nfs/dbraw/zinc/64/17/57/1067641757.db2.gz MFWNNWQLJLCUOU-DEOSSOPVSA-N 1 0 457.618 4.800 20 0 JJADRO CCOC(=O)c1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCO3)sc2c1CCCC2 ZINC001460482107 1067642835 /nfs/dbraw/zinc/64/28/35/1067642835.db2.gz SLAYXNWBJGLWNT-HZPDHXFCSA-N 1 0 456.608 4.806 20 0 JJADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CCC(Oc4cccc(F)c4)CC3)ccc2c1 ZINC001460490847 1067644758 /nfs/dbraw/zinc/64/47/58/1067644758.db2.gz OTJJNORKFVVVFY-IBGZPJMESA-N 1 0 450.554 4.878 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2cc([C@H]3CCC[N@H+](CC4CCC(C)(C)CC4)C3)[nH]n2)CC1 ZINC001460502439 1067645795 /nfs/dbraw/zinc/64/57/95/1067645795.db2.gz FVIMKCNDXJTGPR-NRFANRHFSA-N 1 0 459.679 4.863 20 0 JJADRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC001460526034 1067650155 /nfs/dbraw/zinc/65/01/55/1067650155.db2.gz MEJIFXJTMDFAKO-SSKFGXFMSA-N 1 0 453.410 4.567 20 0 JJADRO CC(C)[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)[C@H](O)c1ccc(Cl)cc1 ZINC001460525520 1067650204 /nfs/dbraw/zinc/65/02/04/1067650204.db2.gz JUJUPCSDSOVPOI-SLFFLAALSA-N 1 0 451.792 4.704 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001460543521 1067653863 /nfs/dbraw/zinc/65/38/63/1067653863.db2.gz ZNHOKHJCHBINLV-WIYYLYMNSA-N 1 0 454.590 4.965 20 0 JJADRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC001460625000 1067676885 /nfs/dbraw/zinc/67/68/85/1067676885.db2.gz BJWQINXNOGIKQU-ACBODKPCSA-N 1 0 452.782 4.621 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2nc3ccccc3cc2Br)c1 ZINC001460639283 1067681624 /nfs/dbraw/zinc/68/16/24/1067681624.db2.gz JNFDOEOIKRWSCU-UHFFFAOYSA-N 1 0 455.356 4.530 20 0 JJADRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)c(OC)c1 ZINC001460643715 1067683742 /nfs/dbraw/zinc/68/37/42/1067683742.db2.gz IBJGUMPNYOATIJ-JOCHJYFZSA-N 1 0 454.464 4.897 20 0 JJADRO COc1cc(-c2noc(C[N@@H+]3CCC[C@@]3(C)Cc3ccc(F)c(F)c3)n2)cc(OC)c1OC ZINC001460646776 1067684584 /nfs/dbraw/zinc/68/45/84/1067684584.db2.gz RRULBWVTOGIERB-DEOSSOPVSA-N 1 0 459.493 4.638 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccc(-n4nc(C)cc4C)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460649869 1067686803 /nfs/dbraw/zinc/68/68/03/1067686803.db2.gz HSFDAKVXKQHKDZ-IZZNHLLZSA-N 1 0 476.621 4.990 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)OC(F)(F)O4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460652630 1067687878 /nfs/dbraw/zinc/68/78/78/1067687878.db2.gz VDCXFCZYVBWGBN-RBUKOAKNSA-N 1 0 462.493 4.509 20 0 JJADRO Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654868 1067689354 /nfs/dbraw/zinc/68/93/54/1067689354.db2.gz GYKMFBWMVDVSQL-IAGOWNOFSA-N 1 0 455.546 4.979 20 0 JJADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)s1 ZINC001460658996 1067691439 /nfs/dbraw/zinc/69/14/39/1067691439.db2.gz GNCBVKPORZGDJA-HXUWFJFHSA-N 1 0 456.633 4.998 20 0 JJADRO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460659865 1067691477 /nfs/dbraw/zinc/69/14/77/1067691477.db2.gz MAAVGPPHCXRWND-QHCPKHFHSA-N 1 0 450.604 4.936 20 0 JJADRO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001460681830 1067700176 /nfs/dbraw/zinc/70/01/76/1067700176.db2.gz SVEBYFQPBXRHGI-HXUWFJFHSA-N 1 0 452.986 4.741 20 0 JJADRO C[C@@H](c1ccc(Oc2ccccc2Cl)cc1Cl)[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC001460685132 1067701535 /nfs/dbraw/zinc/70/15/35/1067701535.db2.gz CRHVGTQRKUPBMO-KRWDZBQOSA-N 1 0 450.410 4.943 20 0 JJADRO CC(C)(C)OC(=O)N1c2ccccc2[C@@H]([NH2+]CCC(=O)N2CCOc3ccccc32)C1(C)C ZINC001460695204 1067703739 /nfs/dbraw/zinc/70/37/39/1067703739.db2.gz ODPKMLWUMOFPKR-HSZRJFAPSA-N 1 0 451.567 4.667 20 0 JJADRO CC(C)(C)OC(=O)N1c2ccccc2[C@H]([NH2+]CCC(=O)N2CCOc3ccccc32)C1(C)C ZINC001460695208 1067703799 /nfs/dbraw/zinc/70/37/99/1067703799.db2.gz ODPKMLWUMOFPKR-QHCPKHFHSA-N 1 0 451.567 4.667 20 0 JJADRO C[N@H+](CC(=O)Nc1ccc(Br)cc1)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001460704395 1067705370 /nfs/dbraw/zinc/70/53/70/1067705370.db2.gz DNWBNWNLTIILBF-UHFFFAOYSA-N 1 0 454.409 4.547 20 0 JJADRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](C[C@@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713939 1067707279 /nfs/dbraw/zinc/70/72/79/1067707279.db2.gz USFFNROARTWBHV-MAUKXSAKSA-N 1 0 453.004 4.922 20 0 JJADRO C[N@H+](Cc1ccccc1Oc1ccc(F)c(Cl)c1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC001460719457 1067708771 /nfs/dbraw/zinc/70/87/71/1067708771.db2.gz PTOXCDIUBRYUOA-HSZRJFAPSA-N 1 0 452.954 4.979 20 0 JJADRO COc1cccc(COCC(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001460730844 1067711833 /nfs/dbraw/zinc/71/18/33/1067711833.db2.gz XQWVSLOZJVZXON-MHZLTWQESA-N 1 0 450.623 4.895 20 0 JJADRO O=C(NCc1ccc2c[nH+]cn2c1)c1cccnc1SCc1cccc(Br)c1 ZINC001460745402 1067713968 /nfs/dbraw/zinc/71/39/68/1067713968.db2.gz OXOKZGMSTRSKTE-UHFFFAOYSA-N 1 0 453.365 4.714 20 0 JJADRO O=C1[C@@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)CCN1c1ccc(C(F)(F)F)cc1 ZINC001460746344 1067714387 /nfs/dbraw/zinc/71/43/87/1067714387.db2.gz AIRVKTWBBUXFPJ-SJORKVTESA-N 1 0 455.274 4.687 20 0 JJADRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(OC(F)F)c(F)c1 ZINC001460758576 1067718003 /nfs/dbraw/zinc/71/80/03/1067718003.db2.gz BABPBQXXXPJULJ-RBBKRZOGSA-N 1 0 458.455 4.964 20 0 JJADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC001460762570 1067718808 /nfs/dbraw/zinc/71/88/08/1067718808.db2.gz MQYFMQMNHMHAQJ-INIZCTEOSA-N 1 0 457.368 4.769 20 0 JJADRO Brc1cnc([C@H]2CCCN(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)nc1 ZINC001460771804 1067720594 /nfs/dbraw/zinc/72/05/94/1067720594.db2.gz NKVPJLLOTHRKKS-QFIPXVFZSA-N 1 0 457.460 4.763 20 0 JJADRO C[C@@H]1C[N@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774207 1067721168 /nfs/dbraw/zinc/72/11/68/1067721168.db2.gz HMEAUKAZUZZMIY-SYYKKAFVSA-N 1 0 463.638 4.902 20 0 JJADRO CS(=O)(=O)c1cc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)ccc1Cl ZINC001460791723 1067724063 /nfs/dbraw/zinc/72/40/63/1067724063.db2.gz GFJUSJBTVUSBMQ-UHFFFAOYSA-N 1 0 455.407 4.530 20 0 JJADRO CC(C)[C@@H](C(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1)N1Cc2ccccc2C1=O ZINC001460798090 1067725706 /nfs/dbraw/zinc/72/57/06/1067725706.db2.gz VYTKRGFMIGTAOT-DEOSSOPVSA-N 1 0 454.014 4.840 20 0 JJADRO O=C(COc1cccc(NC(=O)C2CC2)c1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001460798248 1067725721 /nfs/dbraw/zinc/72/57/21/1067725721.db2.gz XBGYWSLXARNVCM-UHFFFAOYSA-N 1 0 455.986 4.586 20 0 JJADRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)c1cccc2ccccc21 ZINC001460797769 1067725771 /nfs/dbraw/zinc/72/57/71/1067725771.db2.gz ZYMWWZZZSCQQNB-XMMPIXPASA-N 1 0 453.608 4.550 20 0 JJADRO CCC1(CC)CN(c2nnc(CCCc3ccccc3)n2CC[NH+]2CCSCC2)CCS1 ZINC001546119382 1067731808 /nfs/dbraw/zinc/73/18/08/1067731808.db2.gz AEYYCNGXTZRBJL-UHFFFAOYSA-N 1 0 473.756 4.614 20 0 JJADRO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCS1 ZINC001546119449 1067733141 /nfs/dbraw/zinc/73/31/41/1067733141.db2.gz CWAFTUICZINYJS-NLFFAJNJSA-N 1 0 487.762 4.762 20 0 JJADRO CCC1(CC)CN(c2nnc(CCCc3ccccc3)n2CC2(O)CC[NH+](C(C)C)CC2)CCS1 ZINC001546119528 1067733938 /nfs/dbraw/zinc/73/39/38/1067733938.db2.gz GIQCBWSNSHUQIT-UHFFFAOYSA-N 1 0 499.769 4.801 20 0 JJADRO CCC1(CC)CN(c2nnc(CCc3ccccc3)n2C[C@@H](C)C[NH+]2CCCC2)CCS1 ZINC001546119660 1067736416 /nfs/dbraw/zinc/73/64/16/1067736416.db2.gz LFAIDLIKTQKMLY-QFIPXVFZSA-N 1 0 455.716 4.907 20 0 JJADRO O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001460874669 1067740004 /nfs/dbraw/zinc/74/00/04/1067740004.db2.gz RPLKNGNHLQCGBA-RBUKOAKNSA-N 1 0 458.318 4.915 20 0 JJADRO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001460889563 1067743827 /nfs/dbraw/zinc/74/38/27/1067743827.db2.gz SZTUEISYUOOTHT-LUZMIZLMSA-N 1 0 451.611 4.594 20 0 JJADRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1cc(Br)c(Cl)c(Br)c1 ZINC001460921321 1067748397 /nfs/dbraw/zinc/74/83/97/1067748397.db2.gz DZXHDSBLGKYLLS-PIGZYNQJSA-N 1 0 461.581 4.697 20 0 JJADRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@H]1C ZINC001460936899 1067750846 /nfs/dbraw/zinc/75/08/46/1067750846.db2.gz HTWIYIBXTSPYQT-SPNRKGSLSA-N 1 0 454.636 4.520 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]12C[N@H+](CCOc3ccccc3Br)C[C@H]1CCCC2 ZINC001460969512 1067754832 /nfs/dbraw/zinc/75/48/32/1067754832.db2.gz CYWXAMMFCIAHPN-VGOFRKELSA-N 1 0 453.421 4.845 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC001460981222 1067756347 /nfs/dbraw/zinc/75/63/47/1067756347.db2.gz IDVDZWMHKDDDKW-TZIWHRDSSA-N 1 0 456.011 4.730 20 0 JJADRO C[C@H]([NH2+][C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C)C(=O)N1CCSc2ccccc21 ZINC001460983193 1067756937 /nfs/dbraw/zinc/75/69/37/1067756937.db2.gz UVCCHNOPSXPWJO-NLEAXPPASA-N 1 0 459.656 4.528 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]CC(=O)Nc3ccc(C(F)(F)F)cc3)C(C)(C)[C@@H]21 ZINC001460983838 1067757278 /nfs/dbraw/zinc/75/72/78/1067757278.db2.gz WEQPOSQZBMXGGP-BHIYHBOVSA-N 1 0 455.521 4.658 20 0 JJADRO Cc1ccc([C@H](NC(=O)C[NH2+][C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)C2CC2)cc1 ZINC001460985070 1067757588 /nfs/dbraw/zinc/75/75/88/1067757588.db2.gz ZVJMYAADNHGPMP-XGAJZPNHSA-N 1 0 455.643 4.576 20 0 JJADRO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989523 1067758592 /nfs/dbraw/zinc/75/85/92/1067758592.db2.gz WWIDBGXIGHBQJW-RDJZCZTQSA-N 1 0 458.430 4.892 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN[C@H](C[NH+]3CCCC3)c3ccccc3)o2)C1 ZINC001460993012 1067759263 /nfs/dbraw/zinc/75/92/63/1067759263.db2.gz QNSLCDDUTWEGRS-LADGPHEKSA-N 1 0 453.627 4.764 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001460994900 1067759883 /nfs/dbraw/zinc/75/98/83/1067759883.db2.gz IQGRPKOERFHYCO-XMMPIXPASA-N 1 0 452.574 4.559 20 0 JJADRO COc1ccccc1[C@@H](C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)N1CCCC1 ZINC001460999397 1067760158 /nfs/dbraw/zinc/76/01/58/1067760158.db2.gz BNFMJRKCYDXBOF-HSZRJFAPSA-N 1 0 458.528 4.886 20 0 JJADRO COc1cc(C[NH2+]Cc2cnc3ccc(Br)cn23)ccc1OCc1ccccc1 ZINC001461022526 1067763697 /nfs/dbraw/zinc/76/36/97/1067763697.db2.gz KXYBCHYTBKYBDW-UHFFFAOYSA-N 1 0 452.352 4.974 20 0 JJADRO CCN(CC)[C@@H](C[NH2+]Cc1cc(C)c(I)cc1C)Cc1ccccc1 ZINC001461029424 1067765116 /nfs/dbraw/zinc/76/51/16/1067765116.db2.gz GSJSSMNJPXENSE-OAQYLSRUSA-N 1 0 450.408 4.951 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[N@H+](C)C2CC2)CCS1 ZINC001546120980 1067766244 /nfs/dbraw/zinc/76/62/44/1067766244.db2.gz GPLNVXAJFSFJBU-FQEVSTJZSA-N 1 0 457.688 4.760 20 0 JJADRO Cc1ccc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC001461050927 1067769935 /nfs/dbraw/zinc/76/99/35/1067769935.db2.gz OBRHJTOFXCTDIX-HOYKHHGWSA-N 1 0 456.993 4.740 20 0 JJADRO C[C@@H]1CN([C@@H](C[NH2+]Cc2c(F)cccc2Br)c2c(F)cccc2Cl)CCO1 ZINC001461050638 1067769994 /nfs/dbraw/zinc/76/99/94/1067769994.db2.gz LVIYVQREYRULPH-YJYMSZOUSA-N 1 0 459.762 4.932 20 0 JJADRO Cc1ccc(CCC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)cc1Cl ZINC001461065547 1067774682 /nfs/dbraw/zinc/77/46/82/1067774682.db2.gz RMJUAYZJTRNCLP-UHFFFAOYSA-N 1 0 452.824 4.980 20 0 JJADRO Fc1ccc(CN2CCC([NH2+]Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC2)cc1F ZINC001461067481 1067775103 /nfs/dbraw/zinc/77/51/03/1067775103.db2.gz RPRXERDIBRAFIU-OAQYLSRUSA-N 1 0 450.957 4.930 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+](C)C(C)C)CCS1 ZINC001546121408 1067776967 /nfs/dbraw/zinc/77/69/67/1067776967.db2.gz WSGDWMCXDRSRGD-UHFFFAOYSA-N 1 0 466.095 4.963 20 0 JJADRO Cc1cc(Br)c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc1Br ZINC001461077888 1067777324 /nfs/dbraw/zinc/77/73/24/1067777324.db2.gz BSRCOOSJMADGAB-UHFFFAOYSA-N 1 0 452.190 4.937 20 0 JJADRO CC[NH+]1CCN(c2ccc(NCc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001461082039 1067777696 /nfs/dbraw/zinc/77/76/96/1067777696.db2.gz NGFOECLXFHGPCM-UHFFFAOYSA-N 1 0 450.627 4.734 20 0 JJADRO CO[C@@](C)(C(=O)Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1)C(=O)OC(C)(C)C ZINC001461084217 1067778352 /nfs/dbraw/zinc/77/83/52/1067778352.db2.gz ZVSCRZMLWVIVNC-MHZLTWQESA-N 1 0 452.595 4.752 20 0 JJADRO Cc1ccc([C@H](C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)N2CCOCC2)cc1 ZINC001461086899 1067779253 /nfs/dbraw/zinc/77/92/53/1067779253.db2.gz ZEQCPAMCUOXUPZ-FQEVSTJZSA-N 1 0 457.334 4.939 20 0 JJADRO COc1cc(C[NH2+]CCCN2CCC(O)CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC001461102226 1067782454 /nfs/dbraw/zinc/78/24/54/1067782454.db2.gz VLCZTQIPYZGFJK-UHFFFAOYSA-N 1 0 453.410 4.517 20 0 JJADRO CC(C)N(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461115346 1067784412 /nfs/dbraw/zinc/78/44/12/1067784412.db2.gz OKDGYVIGNGIAQJ-HSZRJFAPSA-N 1 0 450.558 4.710 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CCc3coc(-c4ccccc4)n3)o2)C1 ZINC001461126998 1067786355 /nfs/dbraw/zinc/78/63/55/1067786355.db2.gz BBMPHBUVWIASBM-HXUWFJFHSA-N 1 0 451.567 4.825 20 0 JJADRO Cc1cc(C[NH2+]CCC(=O)Nc2cccc(Cl)c2C)c(C)cc1I ZINC001461129096 1067787017 /nfs/dbraw/zinc/78/70/17/1067787017.db2.gz FOWWOFAZXROLTM-UHFFFAOYSA-N 1 0 456.755 4.988 20 0 JJADRO CCCC[C@H]([NH2+]C1CCN(c2nc(C)cs2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461132891 1067787541 /nfs/dbraw/zinc/78/75/41/1067787541.db2.gz SDPIFAHNAVZRKO-QHCPKHFHSA-N 1 0 455.672 4.808 20 0 JJADRO COc1cc(Br)c(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)c(OC)c1 ZINC001461144799 1067788685 /nfs/dbraw/zinc/78/86/85/1067788685.db2.gz VJMFJUAJOLKKRX-KRWDZBQOSA-N 1 0 454.368 4.570 20 0 JJADRO O[C@](C[NH2+]Cc1ccc(Br)c(Br)c1)(c1ccccc1)C(F)(F)F ZINC001461145524 1067788710 /nfs/dbraw/zinc/78/87/10/1067788710.db2.gz CULOFMIILWMGIZ-OAHLLOKOSA-N 1 0 453.096 4.751 20 0 JJADRO COc1cc(C[NH2+]CCN2CCOCC2(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC001461151443 1067790027 /nfs/dbraw/zinc/79/00/27/1067790027.db2.gz SFPQXCIYIGRSII-UHFFFAOYSA-N 1 0 453.410 4.781 20 0 JJADRO CC(C)(C)OC(=O)NCC1CCC([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC001461152759 1067790333 /nfs/dbraw/zinc/79/03/33/1067790333.db2.gz KZOQLPBVCLUZJH-NKELODKYSA-N 1 0 452.437 4.701 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC001461158753 1067790951 /nfs/dbraw/zinc/79/09/51/1067790951.db2.gz DCCJWASAAQNYFF-VXKWHMMOSA-N 1 0 458.002 4.800 20 0 JJADRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001461162650 1067791330 /nfs/dbraw/zinc/79/13/30/1067791330.db2.gz WKAKXTGEVJPPDP-UHFFFAOYSA-N 1 0 459.034 4.989 20 0 JJADRO COc1ccccc1OCCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC001461160236 1067791451 /nfs/dbraw/zinc/79/14/51/1067791451.db2.gz JRWYVWTXQXYGNP-UHFFFAOYSA-N 1 0 459.178 4.788 20 0 JJADRO Fc1ccc(-c2nc(CC[NH2+]Cc3c(Br)cncc3Br)co2)cc1 ZINC001461174157 1067792624 /nfs/dbraw/zinc/79/26/24/1067792624.db2.gz OLYUOMAVBMSVFO-UHFFFAOYSA-N 1 0 455.125 4.733 20 0 JJADRO CC1(C)CN([C@H](C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c2ccc(Cl)cc2)CCO1 ZINC001461177674 1067793343 /nfs/dbraw/zinc/79/33/43/1067793343.db2.gz LRNPYIMUMNGTDV-XMMPIXPASA-N 1 0 456.030 4.518 20 0 JJADRO COc1cc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc(Cl)c1OC ZINC001461177661 1067793421 /nfs/dbraw/zinc/79/34/21/1067793421.db2.gz LQJZUUCVSDOYAN-FQEVSTJZSA-N 1 0 453.410 4.952 20 0 JJADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl)CC2 ZINC001461182821 1067794222 /nfs/dbraw/zinc/79/42/22/1067794222.db2.gz RPEGIXRWQHQTPP-UHFFFAOYSA-N 1 0 455.357 4.604 20 0 JJADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+]Cc2ccccc2OCc2ccncc2)c1 ZINC001461190624 1067796369 /nfs/dbraw/zinc/79/63/69/1067796369.db2.gz RKNOYXFIAVVBAK-UHFFFAOYSA-N 1 0 453.546 4.667 20 0 JJADRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1F ZINC001461203879 1067798604 /nfs/dbraw/zinc/79/86/04/1067798604.db2.gz DPKMSKPUYFSJMT-UHFFFAOYSA-N 1 0 450.485 4.710 20 0 JJADRO Fc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2I)cc1 ZINC001461202209 1067798650 /nfs/dbraw/zinc/79/86/50/1067798650.db2.gz LEEDLZDFVREHQD-UEXGIBASSA-N 1 0 450.339 4.736 20 0 JJADRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)c2)cc1 ZINC001461209031 1067799828 /nfs/dbraw/zinc/79/98/28/1067799828.db2.gz PGDFXCATZAGUNW-IRLDBZIGSA-N 1 0 451.592 4.707 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001461215039 1067800659 /nfs/dbraw/zinc/80/06/59/1067800659.db2.gz DVIUFCWHCVWSBN-HUUCEWRRSA-N 1 0 457.833 4.937 20 0 JJADRO Brc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCOC[C@@H]2CCCO2)c1 ZINC001461214930 1067800767 /nfs/dbraw/zinc/80/07/67/1067800767.db2.gz MIPDQNWJNDREQK-QFIPXVFZSA-N 1 0 456.384 4.587 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001461215031 1067800799 /nfs/dbraw/zinc/80/07/99/1067800799.db2.gz DVIUFCWHCVWSBN-CABCVRRESA-N 1 0 457.833 4.937 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC001461225134 1067804016 /nfs/dbraw/zinc/80/40/16/1067804016.db2.gz MLDUXNVDNAAPSH-KNQAVFIVSA-N 1 0 457.571 4.558 20 0 JJADRO C[C@H]([NH2+]C1(CNCC2=Cc3cc(Br)ccc3OC2)CCOCC1)c1ccccc1 ZINC001461229235 1067804920 /nfs/dbraw/zinc/80/49/20/1067804920.db2.gz LFDKVDQWRNASTH-SFHVURJKSA-N 1 0 457.412 4.715 20 0 JJADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)Cn2c3ccccc3n(CC)c2=O)cc1 ZINC001461236330 1067806327 /nfs/dbraw/zinc/80/63/27/1067806327.db2.gz BXPACNGLFJMVFM-UHFFFAOYSA-N 1 0 456.590 4.874 20 0 JJADRO C[C@@H]([NH2+]Cc1cccc(F)c1I)[C@@H](O)c1c(Cl)cccc1Cl ZINC001461240091 1067807338 /nfs/dbraw/zinc/80/73/38/1067807338.db2.gz SQCFQXQXVBPJKJ-JDNHERCYSA-N 1 0 454.110 4.949 20 0 JJADRO C[C@H]([NH2+]Cc1cccc(F)c1I)[C@@H](O)c1c(Cl)cccc1Cl ZINC001461240093 1067807434 /nfs/dbraw/zinc/80/74/34/1067807434.db2.gz SQCFQXQXVBPJKJ-XXFAHNHDSA-N 1 0 454.110 4.949 20 0 JJADRO C[C@](O)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccco1 ZINC001461251246 1067809967 /nfs/dbraw/zinc/80/99/67/1067809967.db2.gz FDSJYGJWRZSIKJ-QHCPKHFHSA-N 1 0 452.352 4.892 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001461254008 1067810963 /nfs/dbraw/zinc/81/09/63/1067810963.db2.gz SBRLVGINMZXFMT-JOCHJYFZSA-N 1 0 453.384 4.537 20 0 JJADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC001461260402 1067812926 /nfs/dbraw/zinc/81/29/26/1067812926.db2.gz GFYVEUOSSULTKS-CJNGLKHVSA-N 1 0 450.473 4.617 20 0 JJADRO Cc1cc(Br)c(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)cc1Br ZINC001461260501 1067813059 /nfs/dbraw/zinc/81/30/59/1067813059.db2.gz HFDGPJHMFACSSQ-UHFFFAOYSA-N 1 0 450.215 4.913 20 0 JJADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(OCc4cccs4)c(OC)c3)C2)c1 ZINC001461269555 1067814934 /nfs/dbraw/zinc/81/49/34/1067814934.db2.gz PJDKONPSNUCYHJ-LJQANCHMSA-N 1 0 454.592 4.721 20 0 JJADRO Cc1ccc(C(=O)N[C@H](CC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272362 1067815504 /nfs/dbraw/zinc/81/55/04/1067815504.db2.gz MKEATNJPWMTPER-GGXMVOPNSA-N 1 0 455.602 4.637 20 0 JJADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]Cc2c(F)ccc(Br)c2F)cc1 ZINC001461284918 1067818019 /nfs/dbraw/zinc/81/80/19/1067818019.db2.gz UZAJEAODUQEHTP-AWEZNQCLSA-N 1 0 455.343 4.873 20 0 JJADRO OC[C@@H](C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)Cc1ccccc1C(F)(F)F ZINC001461316885 1067826903 /nfs/dbraw/zinc/82/69/03/1067826903.db2.gz UIGSTWBFIFKLCI-MRXNPFEDSA-N 1 0 457.418 4.851 20 0 JJADRO Cn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(-c2cc3ccccc3o2)n1 ZINC001461335940 1067831747 /nfs/dbraw/zinc/83/17/47/1067831747.db2.gz YNLPJCAMSNSMTL-KRWDZBQOSA-N 1 0 459.468 4.673 20 0 JJADRO Cn1nc(-c2ccccc2)c(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1Cl ZINC001461335902 1067832000 /nfs/dbraw/zinc/83/20/00/1067832000.db2.gz XIAGOQRZPDZVSR-INIZCTEOSA-N 1 0 453.892 4.580 20 0 JJADRO Brc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCO[C@H]2CCOC2)cc1 ZINC001461338500 1067832832 /nfs/dbraw/zinc/83/28/32/1067832832.db2.gz VMNZIQMAONRTER-QFIPXVFZSA-N 1 0 456.384 4.587 20 0 JJADRO COCCC(=O)N1CCC([NH2+]Cc2c(Cl)cccc2OCc2ccccc2Cl)CC1 ZINC001461348576 1067835760 /nfs/dbraw/zinc/83/57/60/1067835760.db2.gz YDCAAZZUORIVQE-UHFFFAOYSA-N 1 0 451.394 4.690 20 0 JJADRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1ccccc1Oc1ccc(Cl)cc1Br ZINC001461375659 1067841073 /nfs/dbraw/zinc/84/10/73/1067841073.db2.gz BGOVAKISNIBCBN-INIZCTEOSA-N 1 0 458.805 4.952 20 0 JJADRO COc1cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)ccc1OCc1ccc(Cl)cc1Cl ZINC001461380762 1067843012 /nfs/dbraw/zinc/84/30/12/1067843012.db2.gz ZSPQQYZPYYTCLE-SFHVURJKSA-N 1 0 458.407 4.638 20 0 JJADRO CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[NH+](CC(C)C)CC2)CCCC1 ZINC001546124060 1067847219 /nfs/dbraw/zinc/84/72/19/1067847219.db2.gz JSUKHGJPPJGLMW-UHFFFAOYSA-N 1 0 487.092 4.610 20 0 JJADRO COc1ccc(C[C@H](C)C[NH2+]Cc2cc(Cl)ccc2I)cc1OC ZINC001461405108 1067847656 /nfs/dbraw/zinc/84/76/56/1067847656.db2.gz HUGZGIUFRVGQGJ-ZDUSSCGKSA-N 1 0 459.755 4.930 20 0 JJADRO COc1cc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)cc(Br)c1OC(F)F ZINC001461407428 1067848256 /nfs/dbraw/zinc/84/82/56/1067848256.db2.gz IUAZFTNHQUMTIC-SFHVURJKSA-N 1 0 450.707 4.710 20 0 JJADRO CCOc1cc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc(Cl)c1OC ZINC001461419260 1067851877 /nfs/dbraw/zinc/85/18/77/1067851877.db2.gz ZOJZHUUNXRVPHV-INIZCTEOSA-N 1 0 456.892 4.657 20 0 JJADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2cccc(Br)c2OC(F)F)C1 ZINC001461425713 1067853646 /nfs/dbraw/zinc/85/36/46/1067853646.db2.gz IQIHISLIYYJKKH-UHFFFAOYSA-N 1 0 455.343 4.792 20 0 JJADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cccc(OCc4ccccn4)c3)nc12 ZINC001461428020 1067853682 /nfs/dbraw/zinc/85/36/82/1067853682.db2.gz NFDRNDUSPWETBI-UHFFFAOYSA-N 1 0 451.368 4.712 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001461429951 1067854049 /nfs/dbraw/zinc/85/40/49/1067854049.db2.gz FOKXKEAQVCDTSS-QFIPXVFZSA-N 1 0 459.421 4.868 20 0 JJADRO CSc1cc(Br)ccc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC001461430988 1067854468 /nfs/dbraw/zinc/85/44/68/1067854468.db2.gz KMMNRXVGEGHJTQ-ZDUSSCGKSA-N 1 0 459.247 4.874 20 0 JJADRO OC[C@H](C[NH2+]Cc1oc2ccccc2c1Br)Cc1ccccc1Br ZINC001461431039 1067854484 /nfs/dbraw/zinc/85/44/84/1067854484.db2.gz KPRXLVGAPXXUHB-ZDUSSCGKSA-N 1 0 453.174 4.899 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)cc(OC)c1OCc1ccccc1 ZINC001461434046 1067855440 /nfs/dbraw/zinc/85/54/40/1067855440.db2.gz FXVXLDTVNTYENP-HSZRJFAPSA-N 1 0 452.595 4.696 20 0 JJADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461435666 1067855964 /nfs/dbraw/zinc/85/59/64/1067855964.db2.gz KNXQAGYNUYZBQD-DGCLKSJQSA-N 1 0 455.315 4.954 20 0 JJADRO COc1cc(Br)c(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)c(OC)c1 ZINC001461445894 1067858596 /nfs/dbraw/zinc/85/85/96/1067858596.db2.gz WOEYJBYWNQKTCL-ZDUSSCGKSA-N 1 0 459.306 4.854 20 0 JJADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2c(Oc3ccc(F)cc3)nc3ccccn32)CC1 ZINC001461456514 1067861205 /nfs/dbraw/zinc/86/12/05/1067861205.db2.gz LGEZGGINZGXXNP-UHFFFAOYSA-N 1 0 452.530 4.923 20 0 JJADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(CNc3ccc(Cl)c(C[N@H+](C)CCO)c3)cc12 ZINC001461460459 1067862114 /nfs/dbraw/zinc/86/21/14/1067862114.db2.gz PQAQONUHDWDEKZ-UHFFFAOYSA-N 1 0 450.414 4.838 20 0 JJADRO C[C@](O)(C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1Br ZINC001461460023 1067862238 /nfs/dbraw/zinc/86/22/38/1067862238.db2.gz CTCHQXKQBBXMKI-IBGZPJMESA-N 1 0 454.290 4.651 20 0 JJADRO FC(F)Oc1ccc(C[NH2+]CCOc2ccc(I)cc2)cc1Cl ZINC001461460700 1067862344 /nfs/dbraw/zinc/86/23/44/1067862344.db2.gz HXMCEFXAPUTWKL-UHFFFAOYSA-N 1 0 453.654 4.715 20 0 JJADRO Cc1cc(C2OCCO2)c(C)cc1C[NH2+]Cc1ccc(I)c(Cl)c1 ZINC001461461555 1067862652 /nfs/dbraw/zinc/86/26/52/1067862652.db2.gz LLAOZDKAOMZWQR-UHFFFAOYSA-N 1 0 457.739 4.897 20 0 JJADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccc(NC(=O)N(C)C)cc2)cc1 ZINC001461463946 1067863212 /nfs/dbraw/zinc/86/32/12/1067863212.db2.gz ZLMHKZUHUIZYCN-UHFFFAOYSA-N 1 0 455.562 4.931 20 0 JJADRO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(I)c(Cl)c2)c1 ZINC001461465514 1067863644 /nfs/dbraw/zinc/86/36/44/1067863644.db2.gz UPGBDGJZTYXQRN-UHFFFAOYSA-N 1 0 453.711 4.633 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH2+]C[C@H](CO)CC3CCOCC3)n2)cc1 ZINC001461465521 1067863725 /nfs/dbraw/zinc/86/37/25/1067863725.db2.gz RBKREYLQQAIUMK-HXUWFJFHSA-N 1 0 455.599 4.610 20 0 JJADRO FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC001461465309 1067863732 /nfs/dbraw/zinc/86/37/32/1067863732.db2.gz RLANXMTUTIODOM-UHFFFAOYSA-N 1 0 450.892 4.875 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc(I)c1OC ZINC001461477285 1067868717 /nfs/dbraw/zinc/86/87/17/1067868717.db2.gz BOKNVQLXTJQTQU-DOTOQJQBSA-N 1 0 455.311 4.873 20 0 JJADRO COc1cc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc(I)c1OC ZINC001461477298 1067868790 /nfs/dbraw/zinc/86/87/90/1067868790.db2.gz BOKNVQLXTJQTQU-WBVHZDCISA-N 1 0 455.311 4.873 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC001461481838 1067871369 /nfs/dbraw/zinc/87/13/69/1067871369.db2.gz SVVLSFHNHPXCDI-UHFFFAOYSA-N 1 0 458.046 4.987 20 0 JJADRO COC(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2Oc2ccc(Br)cc2)CC1 ZINC001461486254 1067872489 /nfs/dbraw/zinc/87/24/89/1067872489.db2.gz SVEJQVIPGFVGGW-UHFFFAOYSA-N 1 0 451.336 4.949 20 0 JJADRO COc1cc(C[NH2+]C[C@H]2CCSC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001461487612 1067873082 /nfs/dbraw/zinc/87/30/82/1067873082.db2.gz YURMAYPQZQJNAY-MRXNPFEDSA-N 1 0 454.514 4.574 20 0 JJADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC001461488147 1067873209 /nfs/dbraw/zinc/87/32/09/1067873209.db2.gz OCNCFTUEASETTA-LJQANCHMSA-N 1 0 455.908 4.737 20 0 JJADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2ccc(-c3ccccc3Cl)s2)c1 ZINC001461488995 1067873617 /nfs/dbraw/zinc/87/36/17/1067873617.db2.gz AOVUGMIWESJPMG-UHFFFAOYSA-N 1 0 450.029 4.521 20 0 JJADRO COc1cc(C[NH2+]C2CCC(c3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OCC(N)=O ZINC001461488169 1067873674 /nfs/dbraw/zinc/87/36/74/1067873674.db2.gz PCDRFJBSDZZMHH-UHFFFAOYSA-N 1 0 454.611 4.681 20 0 JJADRO CS(=O)(=O)C1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CCCC1 ZINC001461489816 1067874030 /nfs/dbraw/zinc/87/40/30/1067874030.db2.gz ZYGUNQAOKSUHQU-UHFFFAOYSA-N 1 0 458.027 4.699 20 0 JJADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)C1 ZINC001461491595 1067874495 /nfs/dbraw/zinc/87/44/95/1067874495.db2.gz BGHMNWPTELDTRC-NRFANRHFSA-N 1 0 454.416 4.620 20 0 JJADRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC001461492115 1067874866 /nfs/dbraw/zinc/87/48/66/1067874866.db2.gz MMLNKMFNQFIZKR-UHFFFAOYSA-N 1 0 459.924 4.920 20 0 JJADRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)Cc2cccc(OCCCOc3ccccc3)c2)C1 ZINC001461499282 1067876911 /nfs/dbraw/zinc/87/69/11/1067876911.db2.gz DHELYDDESBCZSY-RUZDIDTESA-N 1 0 458.602 4.987 20 0 JJADRO CCN(C(C)=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cn1 ZINC001461505530 1067878245 /nfs/dbraw/zinc/87/82/45/1067878245.db2.gz XAWXHXUXSWWXIH-IZZNHLLZSA-N 1 0 456.590 4.617 20 0 JJADRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC001461516011 1067880008 /nfs/dbraw/zinc/88/00/08/1067880008.db2.gz MMJDRMZKYNDVQO-SFHVURJKSA-N 1 0 458.375 4.692 20 0 JJADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC001461539189 1067884292 /nfs/dbraw/zinc/88/42/92/1067884292.db2.gz HMYMMRAWVGTRLW-KRWDZBQOSA-N 1 0 451.380 4.620 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC3(C[C@@H]1F)OCCO3)CC(C)(C)O2 ZINC001461542548 1067885274 /nfs/dbraw/zinc/88/52/74/1067885274.db2.gz VXTVRZGZFQIPHF-GBESFXJTSA-N 1 0 450.551 4.859 20 0 JJADRO COCO[C@H](C)c1cc(F)c(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1Br ZINC001461553176 1067886974 /nfs/dbraw/zinc/88/69/74/1067886974.db2.gz MNRHDZWGAXBHJZ-SPLOXXLWSA-N 1 0 457.359 4.801 20 0 JJADRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC001461553192 1067887293 /nfs/dbraw/zinc/88/72/93/1067887293.db2.gz MNYLNCJSJPUGFU-GOSISDBHSA-N 1 0 454.567 4.604 20 0 JJADRO CN(C(=O)c1ccc(NCc2c(F)ccc(Br)c2F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001461564070 1067889278 /nfs/dbraw/zinc/88/92/78/1067889278.db2.gz JPRRPKUWDIUEJH-MRXNPFEDSA-N 1 0 452.343 4.506 20 0 JJADRO CCOc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)cc(OCC)c1OCC ZINC001461595359 1067896878 /nfs/dbraw/zinc/89/68/78/1067896878.db2.gz GAWNDYVOCJRPLM-QHCPKHFHSA-N 1 0 454.611 4.865 20 0 JJADRO CC(C)[C@H]1CN(C(=O)CCCOc2ccccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC001461597291 1067897417 /nfs/dbraw/zinc/89/74/17/1067897417.db2.gz JBEJHVSWQKAFBT-JOCHJYFZSA-N 1 0 459.428 4.977 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NCc2cncc(Br)c2)cc1Cl ZINC001461604947 1067899824 /nfs/dbraw/zinc/89/98/24/1067899824.db2.gz LCRCIYDVJAUGOL-UHFFFAOYSA-N 1 0 453.812 4.571 20 0 JJADRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc(I)c(Br)cc2F)C1 ZINC001461605573 1067900507 /nfs/dbraw/zinc/90/05/07/1067900507.db2.gz KDDRWTSNJLOREI-XYPYZODXSA-N 1 0 456.137 4.629 20 0 JJADRO CC[C@@H]([NH2+]Cc1cc(I)c(Br)cc1F)[C@@H]1CCCCO1 ZINC001461607605 1067900794 /nfs/dbraw/zinc/90/07/94/1067900794.db2.gz LWFXJEFIWYHCNY-CABCVRRESA-N 1 0 456.137 4.630 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001461607920 1067900843 /nfs/dbraw/zinc/90/08/43/1067900843.db2.gz OJVPWKFCJZCAAB-AQNXPRMDSA-N 1 0 452.574 4.699 20 0 JJADRO COc1cc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)cc(OC)c1OCC(F)F ZINC001461620894 1067903274 /nfs/dbraw/zinc/90/32/74/1067903274.db2.gz YWNAQWBHZSGURI-QHCPKHFHSA-N 1 0 455.929 4.883 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cn(C(C)C)nc2C)cc1F ZINC001461627003 1067904927 /nfs/dbraw/zinc/90/49/27/1067904927.db2.gz LUFUFLNXGQBECL-UNMCSNQZSA-N 1 0 460.594 4.803 20 0 JJADRO CCc1c(Br)cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1Br ZINC001461632428 1067906007 /nfs/dbraw/zinc/90/60/07/1067906007.db2.gz MNZRBTFRGFABHP-OAHLLOKOSA-N 1 0 458.238 4.911 20 0 JJADRO OCCOC1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CCC(F)(F)CC1 ZINC001461642373 1067908055 /nfs/dbraw/zinc/90/80/55/1067908055.db2.gz LNPIYVRFAXLFGI-UHFFFAOYSA-N 1 0 455.549 4.645 20 0 JJADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)CCc2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC001461640400 1067908098 /nfs/dbraw/zinc/90/80/98/1067908098.db2.gz WJNXNLSQXBHISG-UHFFFAOYSA-N 1 0 454.574 4.698 20 0 JJADRO FC1(F)Oc2cccc(CC[NH2+]Cc3cc(Br)sc3Br)c2O1 ZINC001461650557 1067909681 /nfs/dbraw/zinc/90/96/81/1067909681.db2.gz YZLIBVHTEHAVNK-UHFFFAOYSA-N 1 0 455.118 4.927 20 0 JJADRO CN(CCCC(=O)N1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1)C(=O)OC(C)(C)C ZINC001461666253 1067913878 /nfs/dbraw/zinc/91/38/78/1067913878.db2.gz WZTJQCCGCJJMFM-UHFFFAOYSA-N 1 0 457.590 4.707 20 0 JJADRO Cn1c2cc(C[NH2+]Cc3cc(Br)ccc3OCc3ccccc3)ccc2oc1=O ZINC001461675246 1067915845 /nfs/dbraw/zinc/91/58/45/1067915845.db2.gz FMZHSGHLZSMKPB-UHFFFAOYSA-N 1 0 453.336 4.763 20 0 JJADRO O=C1[C@@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC001461687708 1067918249 /nfs/dbraw/zinc/91/82/49/1067918249.db2.gz ULKKSRZTPKAQLJ-NRFANRHFSA-N 1 0 451.920 4.718 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC001461690275 1067919098 /nfs/dbraw/zinc/91/90/98/1067919098.db2.gz DANZBMKAWMIMQO-HXUWFJFHSA-N 1 0 452.755 4.949 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H]1CN(Cc2cccc(C)c2)CCO1 ZINC001461694079 1067920030 /nfs/dbraw/zinc/92/00/30/1067920030.db2.gz HHCYHLWVYPXTKN-QFIPXVFZSA-N 1 0 459.421 4.787 20 0 JJADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001461697706 1067920885 /nfs/dbraw/zinc/92/08/85/1067920885.db2.gz AUOIENHLKFYETH-DNVCBOLYSA-N 1 0 450.446 4.836 20 0 JJADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001461699436 1067921210 /nfs/dbraw/zinc/92/12/10/1067921210.db2.gz FGCDNFLDPPBQOV-ICSRJNTNSA-N 1 0 459.660 4.857 20 0 JJADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001461699438 1067921220 /nfs/dbraw/zinc/92/12/20/1067921220.db2.gz FGCDNFLDPPBQOV-UYAOXDASSA-N 1 0 459.660 4.857 20 0 JJADRO O=C1OC[C@]2(C[NH2+]Cc3ccc(Cl)cc3Oc3cc(Cl)ccc3Cl)COCCN12 ZINC001461702734 1067921950 /nfs/dbraw/zinc/92/19/50/1067921950.db2.gz ATJIBRGLSLDRLU-FQEVSTJZSA-N 1 0 457.741 4.750 20 0 JJADRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1OCc1cccnc1 ZINC001461750038 1067930343 /nfs/dbraw/zinc/93/03/43/1067930343.db2.gz GEEHREFXXIRZMH-DENIHFKCSA-N 1 0 455.599 4.652 20 0 JJADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001461751895 1067930571 /nfs/dbraw/zinc/93/05/71/1067930571.db2.gz SNXHDPRUJUGJPZ-UHFFFAOYSA-N 1 0 451.013 4.501 20 0 JJADRO Cc1ccc(COc2ccc(C[NH2+]CCN3CCC(NC(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC001461756477 1067931325 /nfs/dbraw/zinc/93/13/25/1067931325.db2.gz VQZFLKYYKRARNN-UHFFFAOYSA-N 1 0 453.627 4.653 20 0 JJADRO CCOc1c(Br)cc(C[NH2+]Cc2ccc3c(c2)ncn3C)cc1Br ZINC001461764527 1067932671 /nfs/dbraw/zinc/93/26/71/1067932671.db2.gz UUCAISFGIZJOOA-UHFFFAOYSA-N 1 0 453.178 4.787 20 0 JJADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC001461770449 1067933392 /nfs/dbraw/zinc/93/33/92/1067933392.db2.gz MLGSREARCUFFIA-NHCUHLMSSA-N 1 0 455.603 4.528 20 0 JJADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC001461770457 1067933429 /nfs/dbraw/zinc/93/34/29/1067933429.db2.gz MLGSREARCUFFIA-SFTDATJTSA-N 1 0 455.603 4.528 20 0 JJADRO CCO/C=C/[C@](O)(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccc(C)c1)C(F)(F)F ZINC001461772515 1067934510 /nfs/dbraw/zinc/93/45/10/1067934510.db2.gz FJCYWRRRKMHPKO-BYUVYSIJSA-N 1 0 459.512 4.840 20 0 JJADRO CCO/C=C\[C@](O)(C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)C(F)(F)F ZINC001461779844 1067935709 /nfs/dbraw/zinc/93/57/09/1067935709.db2.gz XGKLITHRLFHOSB-PTZVLDCSSA-N 1 0 451.308 4.506 20 0 JJADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)c2)cc1 ZINC001461779401 1067935744 /nfs/dbraw/zinc/93/57/44/1067935744.db2.gz VARYYZBVYXJMLW-SIKLNZKXSA-N 1 0 453.583 4.731 20 0 JJADRO CSc1ccc(Br)cc1CC[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001461785395 1067936877 /nfs/dbraw/zinc/93/68/77/1067936877.db2.gz GUTMFEXHQTYTFA-AWEZNQCLSA-N 1 0 453.393 4.852 20 0 JJADRO COc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc(Br)c1O ZINC001461821873 1067942018 /nfs/dbraw/zinc/94/20/18/1067942018.db2.gz XULPTINRWKLCNE-OAHLLOKOSA-N 1 0 457.409 4.680 20 0 JJADRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OCc1cccnc1 ZINC001461823320 1067942083 /nfs/dbraw/zinc/94/20/83/1067942083.db2.gz ATLVODWEEDJITR-FQEVSTJZSA-N 1 0 455.599 4.796 20 0 JJADRO COc1cc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)ccc1OCc1ccccc1 ZINC001461821797 1067942115 /nfs/dbraw/zinc/94/21/15/1067942115.db2.gz FQFYBMCHAZCNBZ-SFHVURJKSA-N 1 0 455.576 4.537 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)CCCOCCc2ccccc2)C1 ZINC001461825778 1067942373 /nfs/dbraw/zinc/94/23/73/1067942373.db2.gz CCGFXPZHQPLFPR-QFIPXVFZSA-N 1 0 459.428 4.698 20 0 JJADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCNC(=O)OCc2ccccc2)cc1 ZINC001461825957 1067942540 /nfs/dbraw/zinc/94/25/40/1067942540.db2.gz COLIKJYKCIFFQQ-UHFFFAOYSA-N 1 0 456.546 4.564 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)Cc2csc(C(C)(C)C)n2)C1 ZINC001461830247 1067943220 /nfs/dbraw/zinc/94/32/20/1067943220.db2.gz LCZRVEYPOWPQCF-QGZVFWFLSA-N 1 0 450.446 4.655 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001461833519 1067943814 /nfs/dbraw/zinc/94/38/14/1067943814.db2.gz AWGIFLAIUWZCJV-OFNKIYASSA-N 1 0 475.431 4.965 20 0 JJADRO CC(C)(C)OC(=O)NCC1(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)CCC1 ZINC001461862088 1067949744 /nfs/dbraw/zinc/94/97/44/1067949744.db2.gz HOOFCUQHGFMJMX-UHFFFAOYSA-N 1 0 455.643 4.585 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001461875858 1067952506 /nfs/dbraw/zinc/95/25/06/1067952506.db2.gz YDCFZTGPGMOFDK-NRFANRHFSA-N 1 0 457.412 4.654 20 0 JJADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2C[C@H]2OC(C)(C)C)c1 ZINC001461884061 1067954042 /nfs/dbraw/zinc/95/40/42/1067954042.db2.gz MCLKPRRRQSFIQW-FRQCXROJSA-N 1 0 472.457 4.842 20 0 JJADRO Cc1cncc(C(=O)Nc2cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc(Cl)c2Cl)c1 ZINC001461888202 1067954967 /nfs/dbraw/zinc/95/49/67/1067954967.db2.gz ZJNBZXZZLVVXNQ-QGZVFWFLSA-N 1 0 451.398 4.655 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1 ZINC001461885963 1067955023 /nfs/dbraw/zinc/95/50/23/1067955023.db2.gz SKRATBJZKQARGR-SOVHRIKKSA-N 1 0 454.442 4.930 20 0 JJADRO COCc1ccccc1/C=C(\C)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001461899206 1067957509 /nfs/dbraw/zinc/95/75/09/1067957509.db2.gz ODOGUCOIWHQIPF-WPNIOXTASA-N 1 0 458.400 4.745 20 0 JJADRO COc1cc(Br)c(Cl)cc1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001461903529 1067958577 /nfs/dbraw/zinc/95/85/77/1067958577.db2.gz VIONKIMSIMDNGW-UHFFFAOYSA-N 1 0 451.792 4.505 20 0 JJADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH+]2CCC(Cc3cccc(F)c3)CC2)cnn1C ZINC001461908840 1067959630 /nfs/dbraw/zinc/95/96/30/1067959630.db2.gz DAPHQVRDYMWAGX-JOCHJYFZSA-N 1 0 458.622 4.506 20 0 JJADRO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC001461971060 1067971811 /nfs/dbraw/zinc/97/18/11/1067971811.db2.gz NUGWQPWJXBULGR-NRFANRHFSA-N 1 0 451.611 4.549 20 0 JJADRO C[C@H]1C[C@H](N(C)Cc2cccc(F)c2I)CC[N@@H+]1Cc1ccccc1 ZINC001461989074 1067975885 /nfs/dbraw/zinc/97/58/85/1067975885.db2.gz ZALZWDNGMCFPHR-QFBILLFUSA-N 1 0 452.355 4.915 20 0 JJADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC001461989202 1067976688 /nfs/dbraw/zinc/97/66/88/1067976688.db2.gz FIDHHGIYONURJY-KGVIQGDOSA-N 1 0 450.501 4.652 20 0 JJADRO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccc(OCC(=O)OC)cc1 ZINC001461999736 1067977616 /nfs/dbraw/zinc/97/76/16/1067977616.db2.gz REIJPVIDGVFKDV-OAQYLSRUSA-N 1 0 450.501 4.748 20 0 JJADRO COCCN(C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC001462004773 1067978552 /nfs/dbraw/zinc/97/85/52/1067978552.db2.gz FHDJCGUNSIASQV-UHFFFAOYSA-N 1 0 450.410 4.817 20 0 JJADRO CCOc1cc(C[N@H+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001462013056 1067980286 /nfs/dbraw/zinc/98/02/86/1067980286.db2.gz HGSAAMWYOHHRKL-OAHLLOKOSA-N 1 0 450.473 4.763 20 0 JJADRO CCOc1cc(C[N@H+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001462013050 1067980501 /nfs/dbraw/zinc/98/05/01/1067980501.db2.gz HGSAAMWYOHHRKL-HNNXBMFYSA-N 1 0 450.473 4.763 20 0 JJADRO Cc1ccc(N[C@@H]2CC[C@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)cc1NC(=O)CC[NH+](C)C ZINC001462047647 1067989439 /nfs/dbraw/zinc/98/94/39/1067989439.db2.gz BDVDPQHBWFXODP-VIZSFHNOSA-N 1 0 458.647 4.865 20 0 JJADRO COc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)sc1Br ZINC001462047921 1067989960 /nfs/dbraw/zinc/98/99/60/1067989960.db2.gz FLYCTZOAQRYNEV-LBPRGKRZSA-N 1 0 452.201 4.859 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CN1CC[NH+](Cc2cccc3ccccc32)CC1)CC(F)(F)F ZINC001462050526 1067990587 /nfs/dbraw/zinc/99/05/87/1067990587.db2.gz YIQZSWLGZSJVOV-HXUWFJFHSA-N 1 0 451.533 4.803 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NC(=O)C[C@H]3CCCc4ccccc43)c2)CC1 ZINC001462050203 1067990606 /nfs/dbraw/zinc/99/06/06/1067990606.db2.gz KGWMZWWKJGEWOJ-HXUWFJFHSA-N 1 0 450.583 4.587 20 0 JJADRO CC[C@@H](CC(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1)c1ccc(C)cc1 ZINC001462051465 1067991404 /nfs/dbraw/zinc/99/14/04/1067991404.db2.gz POAPUZYANPSCIL-FQEVSTJZSA-N 1 0 452.599 4.970 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](CC(N)=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC001462064667 1067994619 /nfs/dbraw/zinc/99/46/19/1067994619.db2.gz QUCAOZPQCALUSP-BVYCBKJFSA-N 1 0 458.002 4.987 20 0 JJADRO O=C(OCc1ccccc1)N1CCC(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC001462085936 1067998932 /nfs/dbraw/zinc/99/89/32/1067998932.db2.gz IVQJJVCOLHCPPU-XNMGPUDCSA-N 1 0 454.586 4.538 20 0 JJADRO O=C(OCc1ccccc1)N1CCC(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC001462085935 1067998939 /nfs/dbraw/zinc/99/89/39/1067998939.db2.gz IVQJJVCOLHCPPU-VPUSJEBWSA-N 1 0 454.586 4.538 20 0 JJADRO COC(=O)c1csc(-c2cccc(C[NH2+][C@@H](C)C[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)n1 ZINC001462086528 1067999467 /nfs/dbraw/zinc/99/94/67/1067999467.db2.gz LYGUBOLYMYBXAK-LPHOPBHVSA-N 1 0 459.612 4.864 20 0 JJADRO CCOc1cc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc(Br)c1O ZINC001462090088 1067999491 /nfs/dbraw/zinc/99/94/91/1067999491.db2.gz VWMKTUFEUHYLQA-RBBKRZOGSA-N 1 0 452.364 4.556 20 0 JJADRO CC(C)(C)OC(=O)NCC1(C[N@@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCC1 ZINC001462093247 1068000770 /nfs/dbraw/zinc/00/07/70/1068000770.db2.gz KWAMVIQYFKVPPD-UHFFFAOYSA-N 1 0 451.652 4.795 20 0 JJADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC001462094908 1068001102 /nfs/dbraw/zinc/00/11/02/1068001102.db2.gz WSGKSNAGBKDGFH-KBPBESRZSA-N 1 0 453.004 4.969 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cnn(C(C)C)c2Cl)cc1 ZINC001462102635 1068003369 /nfs/dbraw/zinc/00/33/69/1068003369.db2.gz CIPVFXUIAUAWRT-XZOQPEGZSA-N 1 0 452.986 4.524 20 0 JJADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](C(=O)OCc2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001462108791 1068005473 /nfs/dbraw/zinc/00/54/73/1068005473.db2.gz AVSSLUWOBWYMCI-FGCOXFRFSA-N 1 0 452.595 4.891 20 0 JJADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC001462109292 1068005652 /nfs/dbraw/zinc/00/56/52/1068005652.db2.gz HCCPYIWJIWUVRM-HXUWFJFHSA-N 1 0 450.608 4.582 20 0 JJADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001462111435 1068006646 /nfs/dbraw/zinc/00/66/46/1068006646.db2.gz KIOMDGNBITWSRD-PXAZEXFGSA-N 1 0 459.281 4.933 20 0 JJADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001462111437 1068006708 /nfs/dbraw/zinc/00/67/08/1068006708.db2.gz KIOMDGNBITWSRD-SJKOYZFVSA-N 1 0 459.281 4.933 20 0 JJADRO Cn1cc([C@@H]([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)c2ccc(F)cc2)cn1 ZINC001462119320 1068008496 /nfs/dbraw/zinc/00/84/96/1068008496.db2.gz SBWDYPRTSPTSNP-VABKMULXSA-N 1 0 457.391 4.836 20 0 JJADRO COc1ccc(CCC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001462120783 1068008968 /nfs/dbraw/zinc/00/89/68/1068008968.db2.gz TWKBGWLIVVBJOC-NRFANRHFSA-N 1 0 459.428 4.951 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001462122592 1068009270 /nfs/dbraw/zinc/00/92/70/1068009270.db2.gz NBABADORLDGUJY-UNMCSNQZSA-N 1 0 451.998 4.824 20 0 JJADRO COc1ccc(C[N@H+](CC2CCC2)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(OC)c1 ZINC001462149615 1068015771 /nfs/dbraw/zinc/01/57/71/1068015771.db2.gz NBTZTBKLAGRZIO-IBGZPJMESA-N 1 0 454.558 4.951 20 0 JJADRO C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1 ZINC001462150312 1068016233 /nfs/dbraw/zinc/01/62/33/1068016233.db2.gz IWSGWNMVPVJLQZ-OXQOHEQNSA-N 1 0 452.355 4.616 20 0 JJADRO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC001462150314 1068016267 /nfs/dbraw/zinc/01/62/67/1068016267.db2.gz IWSGWNMVPVJLQZ-UZLBHIALSA-N 1 0 452.355 4.616 20 0 JJADRO OC[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)cc1C(F)(F)F ZINC001462152269 1068016628 /nfs/dbraw/zinc/01/66/28/1068016628.db2.gz SVJSKIMMXXUTOH-PXNSSMCTSA-N 1 0 457.334 4.756 20 0 JJADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462158842 1068018655 /nfs/dbraw/zinc/01/86/55/1068018655.db2.gz RTGCDWGSAYMWTJ-SCLBCKFNSA-N 1 0 452.190 4.538 20 0 JJADRO COC(=O)[C@]12C[N@H+](Cc3cc(F)ccc3Oc3ccc(Cl)c(Cl)c3)C[C@H]1COCC2 ZINC001462186385 1068024797 /nfs/dbraw/zinc/02/47/97/1068024797.db2.gz CLJMKESVWPSTOS-OYHNWAKOSA-N 1 0 454.325 4.936 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001462190024 1068025809 /nfs/dbraw/zinc/02/58/09/1068025809.db2.gz LIRQPUCEQGDVPW-AWEZNQCLSA-N 1 0 452.464 4.537 20 0 JJADRO CCn1c(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)nc2cc(Br)ccc21 ZINC001462191487 1068026044 /nfs/dbraw/zinc/02/60/44/1068026044.db2.gz OGBVPTFUBOJORF-UHFFFAOYSA-N 1 0 451.409 4.602 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC001462192533 1068026322 /nfs/dbraw/zinc/02/63/22/1068026322.db2.gz XFOYBOLLAGIUJN-AEFFLSMTSA-N 1 0 456.414 4.868 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC001462192537 1068026336 /nfs/dbraw/zinc/02/63/36/1068026336.db2.gz XFOYBOLLAGIUJN-FUHWJXTLSA-N 1 0 456.414 4.868 20 0 JJADRO Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC001462219237 1068031091 /nfs/dbraw/zinc/03/10/91/1068031091.db2.gz GEDBHDROYIOOSY-UHFFFAOYSA-N 1 0 455.422 4.803 20 0 JJADRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccc(Sc4ccccc4)cc3)C2)CC1 ZINC001462225310 1068032204 /nfs/dbraw/zinc/03/22/04/1068032204.db2.gz UBAAXNRMHQBQEC-QFIPXVFZSA-N 1 0 453.652 4.965 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001462226649 1068032956 /nfs/dbraw/zinc/03/29/56/1068032956.db2.gz AOBNZLZZVHMQIQ-UHFFFAOYSA-N 1 0 459.631 4.777 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001462234281 1068034807 /nfs/dbraw/zinc/03/48/07/1068034807.db2.gz ZIIIMEUQBPKUCO-DHIUTWEWSA-N 1 0 455.643 4.585 20 0 JJADRO COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)cc2)c1 ZINC001462236298 1068035408 /nfs/dbraw/zinc/03/54/08/1068035408.db2.gz NYPPBQVQJSMWOX-NIYFSFCBSA-N 1 0 454.567 4.843 20 0 JJADRO O=C(NCc1c(Cl)cccc1OC(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001462245046 1068037047 /nfs/dbraw/zinc/03/70/47/1068037047.db2.gz NLOBQOIRJSOTLR-QZTJIDSGSA-N 1 0 477.964 4.930 20 0 JJADRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C1=O ZINC001462264424 1068041188 /nfs/dbraw/zinc/04/11/88/1068041188.db2.gz AFKLJTXKZYJSDY-KVCDMWGSSA-N 1 0 459.606 4.503 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462268886 1068041716 /nfs/dbraw/zinc/04/17/16/1068041716.db2.gz GABMIKRDYVQWFC-BVAGGSTKSA-N 1 0 456.696 4.859 20 0 JJADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH+]1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC001462280951 1068043089 /nfs/dbraw/zinc/04/30/89/1068043089.db2.gz UBZHUKVTDPBWRT-SANMLTNESA-N 1 0 450.579 4.997 20 0 JJADRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294332 1068046215 /nfs/dbraw/zinc/04/62/15/1068046215.db2.gz KJIMDJWBRHRFLS-NZQKXSOJSA-N 1 0 453.583 4.501 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+]CCc1ccc(C)cn1 ZINC001462312394 1068049272 /nfs/dbraw/zinc/04/92/72/1068049272.db2.gz CLWJOLUAFOOENS-SFHVURJKSA-N 1 0 451.592 4.845 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC001462315905 1068049629 /nfs/dbraw/zinc/04/96/29/1068049629.db2.gz RUTYYTDJPIZLHA-ILBGXUMGSA-N 1 0 457.659 4.961 20 0 JJADRO CCc1ccccc1[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(OC)c1)NC(=O)OC(C)(C)C ZINC001462318971 1068050108 /nfs/dbraw/zinc/05/01/08/1068050108.db2.gz YETJKQIDDOZZLY-JPYJTQIMSA-N 1 0 455.599 4.830 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1c(F)cc(Cl)cc1Br ZINC001462316065 1068050175 /nfs/dbraw/zinc/05/01/75/1068050175.db2.gz ZWMWZAFZPYHOCM-UHFFFAOYSA-N 1 0 454.771 4.783 20 0 JJADRO CC(C)n1cncc1C[NH+]1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2)CC1 ZINC001462341285 1068054439 /nfs/dbraw/zinc/05/44/39/1068054439.db2.gz INNQULRFBPBGBK-UHFFFAOYSA-N 1 0 456.635 4.681 20 0 JJADRO CCCC1(C[NH2+]C[C@@H](O)c2ccccc2Br)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462339803 1068054580 /nfs/dbraw/zinc/05/45/80/1068054580.db2.gz RZNAWMQLMLUBKV-LJQANCHMSA-N 1 0 455.437 4.890 20 0 JJADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)c(Cl)c1 ZINC001462361201 1068059503 /nfs/dbraw/zinc/05/95/03/1068059503.db2.gz MBSMVXGEXRNCRT-XLIONFOSSA-N 1 0 450.808 4.775 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)C1(C)C ZINC001462363468 1068060038 /nfs/dbraw/zinc/06/00/38/1068060038.db2.gz ASDPWTXCDZMXJH-LJDSDSDDSA-N 1 0 451.652 4.836 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(Br)c2)C[C@H]1c1ccc(Br)cc1 ZINC001462362763 1068060316 /nfs/dbraw/zinc/06/03/16/1068060316.db2.gz RTNVALBPZBDHDU-ZWKOTPCHSA-N 1 0 453.174 4.600 20 0 JJADRO CNC(=O)[C@H](C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)Cc1ccc(OC)c(F)c1 ZINC001462367136 1068061172 /nfs/dbraw/zinc/06/11/72/1068061172.db2.gz ODEWVCCTJQFNIV-DSKINZAPSA-N 1 0 452.492 4.684 20 0 JJADRO COCC[N@H+](Cc1nc2ccc(F)cc2s1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462396143 1068065005 /nfs/dbraw/zinc/06/50/05/1068065005.db2.gz POARBIHLCUJHIY-UHFFFAOYSA-N 1 0 457.571 4.685 20 0 JJADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001462398810 1068065745 /nfs/dbraw/zinc/06/57/45/1068065745.db2.gz YGLIZBYAEVCZIW-UHFFFAOYSA-N 1 0 459.388 4.585 20 0 JJADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)[C@H]1Sc1ccccc1 ZINC001462413809 1068069884 /nfs/dbraw/zinc/06/98/84/1068069884.db2.gz VLXFCPZPIPQANC-ZHNGQKSSSA-N 1 0 466.569 4.538 20 0 JJADRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2cc3cccnc3n2S(=O)(=O)c2ccccc2)CC1 ZINC001462431835 1068072971 /nfs/dbraw/zinc/07/29/71/1068072971.db2.gz COWMSOWHRFYSFA-AFARHQOCSA-N 1 0 455.624 4.737 20 0 JJADRO CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC001462439934 1068074830 /nfs/dbraw/zinc/07/48/30/1068074830.db2.gz QBHAADGBEGNPNS-YMQHIKHWSA-N 1 0 451.652 4.932 20 0 JJADRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(Cc3ccc(Br)cc3)CC2)c1 ZINC001462446189 1068075638 /nfs/dbraw/zinc/07/56/38/1068075638.db2.gz VPKDYPJHHAWXAK-MRXNPFEDSA-N 1 0 459.384 4.565 20 0 JJADRO CN(CCOCC[N@H+](C)Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C(=O)OC(C)(C)C ZINC001462443671 1068075890 /nfs/dbraw/zinc/07/58/90/1068075890.db2.gz YTYNWHKXUYTWRX-UHFFFAOYSA-N 1 0 458.647 4.544 20 0 JJADRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001462450259 1068076755 /nfs/dbraw/zinc/07/67/55/1068076755.db2.gz WWEKLXMMTIFMNH-ZEQRLZLVSA-N 1 0 457.659 4.859 20 0 JJADRO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1 ZINC001462451897 1068077505 /nfs/dbraw/zinc/07/75/05/1068077505.db2.gz LCCOHJADXOGJTR-VSKRKVRLSA-N 1 0 459.679 4.863 20 0 JJADRO CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1 ZINC001462451892 1068077602 /nfs/dbraw/zinc/07/76/02/1068077602.db2.gz LCCOHJADXOGJTR-BHIFYINESA-N 1 0 459.679 4.863 20 0 JJADRO Cc1scc(C[N@@H+]2CCC[C@@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)c1C ZINC001462454897 1068078508 /nfs/dbraw/zinc/07/85/08/1068078508.db2.gz YGVRHJFQBBPXIO-LJQANCHMSA-N 1 0 459.660 4.525 20 0 JJADRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462460296 1068078907 /nfs/dbraw/zinc/07/89/07/1068078907.db2.gz RUAQGDWXSOCCMP-MGPUTAFESA-N 1 0 453.371 4.972 20 0 JJADRO COC(=O)CCc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001462470572 1068080910 /nfs/dbraw/zinc/08/09/10/1068080910.db2.gz LPVJCSKBUCLBLD-GGXMVOPNSA-N 1 0 456.586 4.821 20 0 JJADRO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 ZINC001462482803 1068082616 /nfs/dbraw/zinc/08/26/16/1068082616.db2.gz XNZOPOHKQQBJSJ-KRWDZBQOSA-N 1 0 455.990 4.666 20 0 JJADRO COc1ccccc1-c1ccnc(C2CC[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)CC2)n1 ZINC001462483749 1068082857 /nfs/dbraw/zinc/08/28/57/1068082857.db2.gz XZPDTZUGWOCUGJ-UHFFFAOYSA-N 1 0 454.615 4.883 20 0 JJADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)cc1 ZINC001462484122 1068083088 /nfs/dbraw/zinc/08/30/88/1068083088.db2.gz YNOCUDPJTLHKLS-UHFFFAOYSA-N 1 0 453.384 4.542 20 0 JJADRO COc1cc(Br)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1O ZINC001462495889 1068085354 /nfs/dbraw/zinc/08/53/54/1068085354.db2.gz NXEPZHWSRPYTDR-OAHLLOKOSA-N 1 0 457.409 4.679 20 0 JJADRO CC(C)(C)OC(=O)N1CC(c2cc(CN[C@H]3CCCCC[N@H+](Cc4ccccc4)C3)on2)C1 ZINC001462500606 1068086847 /nfs/dbraw/zinc/08/68/47/1068086847.db2.gz CYNPRLYQNREOAO-QFIPXVFZSA-N 1 0 454.615 4.543 20 0 JJADRO C[C@H]1CN(C(=O)c2ccccc2Oc2cccc(Br)c2)CCN1c1cc[nH+]cc1 ZINC001462508784 1068087675 /nfs/dbraw/zinc/08/76/75/1068087675.db2.gz WEKNYRJXEOESHB-KRWDZBQOSA-N 1 0 452.352 4.987 20 0 JJADRO COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001462513698 1068088979 /nfs/dbraw/zinc/08/89/79/1068088979.db2.gz YWBJZUPLFWCYCV-MSLLRLGPSA-N 1 0 479.665 4.900 20 0 JJADRO CN(C)c1nc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521922 1068090707 /nfs/dbraw/zinc/09/07/07/1068090707.db2.gz KEZGXWVEIPKEEB-KBPBESRZSA-N 1 0 455.853 4.539 20 0 JJADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)CNc2ccc(C[NH+]3CCCCC3)cc2)cnn1C ZINC001462527399 1068091769 /nfs/dbraw/zinc/09/17/69/1068091769.db2.gz LADIAFPYWFAYJD-QFIPXVFZSA-N 1 0 455.647 4.510 20 0 JJADRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccccc3OCc3ccc(F)cc3F)C2)cc1F ZINC001462544156 1068095163 /nfs/dbraw/zinc/09/51/63/1068095163.db2.gz CYJFKQNCYATWAV-FQEVSTJZSA-N 1 0 456.464 4.974 20 0 JJADRO Cc1cc(Cl)ccc1Oc1ccc(F)cc1CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001462545247 1068095372 /nfs/dbraw/zinc/09/53/72/1068095372.db2.gz ZPKNYQHGBLBSPY-UHFFFAOYSA-N 1 0 459.993 4.886 20 0 JJADRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc4c(cc(F)cc4Br)[nH]3)C2)cc1F ZINC001462546740 1068095534 /nfs/dbraw/zinc/09/55/34/1068095534.db2.gz JDDBSHAPAAOMNU-AWEZNQCLSA-N 1 0 450.283 4.500 20 0 JJADRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc4c(cc(F)cc4Br)[nH]3)C2)cc1F ZINC001462546744 1068095945 /nfs/dbraw/zinc/09/59/45/1068095945.db2.gz JDDBSHAPAAOMNU-CQSZACIVSA-N 1 0 450.283 4.500 20 0 JJADRO CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001546132521 1068100623 /nfs/dbraw/zinc/10/06/23/1068100623.db2.gz LJOOKZHOFQHLMD-UHFFFAOYSA-N 1 0 494.453 4.584 20 0 JJADRO C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001462575841 1068102488 /nfs/dbraw/zinc/10/24/88/1068102488.db2.gz HCNWVKZBADUCED-NFBKMPQASA-N 1 0 453.627 4.952 20 0 JJADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001462580443 1068103817 /nfs/dbraw/zinc/10/38/17/1068103817.db2.gz YIBAILROUABDDJ-BRWVUGGUSA-N 1 0 468.436 4.649 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001462591104 1068106959 /nfs/dbraw/zinc/10/69/59/1068106959.db2.gz BAPXZOWQNATIDO-ONUIULTDSA-N 1 0 451.652 4.647 20 0 JJADRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)C1 ZINC001462592610 1068107490 /nfs/dbraw/zinc/10/74/90/1068107490.db2.gz NDWHCLPDCLAOGV-CSODHUTKSA-N 1 0 450.542 4.810 20 0 JJADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C[C@@H](c2ccccc2)C1 ZINC001462597642 1068108283 /nfs/dbraw/zinc/10/82/83/1068108283.db2.gz ZLFVWIIQTZSMFJ-UDIDDNNKSA-N 1 0 456.627 4.881 20 0 JJADRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1 ZINC001462629984 1068116904 /nfs/dbraw/zinc/11/69/04/1068116904.db2.gz ORPBJWFLTHRPRA-HOTGVXAUSA-N 1 0 458.400 4.908 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C2 ZINC001462638290 1068120770 /nfs/dbraw/zinc/12/07/70/1068120770.db2.gz RRSOXJPJVLVLEM-ZQGJOIPISA-N 1 0 471.642 4.910 20 0 JJADRO CCOc1cc(C[NH2+]C[C@H]2CCCCCN2C(=O)OC(C)(C)C)cc(Br)c1O ZINC001462648717 1068123925 /nfs/dbraw/zinc/12/39/25/1068123925.db2.gz SZAIPJMLOFFTBB-MRXNPFEDSA-N 1 0 457.409 4.823 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1C(F)(F)F ZINC001462726978 1068144798 /nfs/dbraw/zinc/14/47/98/1068144798.db2.gz AOZXYPUGWHCHCW-AEFFLSMTSA-N 1 0 472.305 4.641 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)cc1)C(C)C ZINC001462754591 1068156518 /nfs/dbraw/zinc/15/65/18/1068156518.db2.gz KUYJEJGPRDLZEC-UHFFFAOYSA-N 1 0 455.400 4.795 20 0 JJADRO C[N@H+](CCCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)C1CCCCC1 ZINC001462801225 1068171136 /nfs/dbraw/zinc/17/11/36/1068171136.db2.gz ABQMZJDWBSPGPO-UHFFFAOYSA-N 1 0 458.249 4.689 20 0 JJADRO COc1ccc2c(c1)C=C(S(=O)(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC001462830398 1068182003 /nfs/dbraw/zinc/18/20/03/1068182003.db2.gz KVXUXUAXSGNQME-BGYRXZFFSA-N 1 0 454.636 4.580 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)Cc1cccc(Cl)c1Br ZINC001462833651 1068183776 /nfs/dbraw/zinc/18/37/76/1068183776.db2.gz ONLPMYOXHDBNTJ-UHFFFAOYSA-N 1 0 459.837 4.562 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)cc1 ZINC001462835077 1068184427 /nfs/dbraw/zinc/18/44/27/1068184427.db2.gz UGLONCHLIUUKFP-HNNXBMFYSA-N 1 0 458.958 4.794 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)Cc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001462839097 1068185836 /nfs/dbraw/zinc/18/58/36/1068185836.db2.gz SVTUSZLUBQBHJC-HDICACEKSA-N 1 0 454.558 4.803 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC001462894417 1068206039 /nfs/dbraw/zinc/20/60/39/1068206039.db2.gz DXQRRYSHFUUABD-UHFFFAOYSA-N 1 0 452.951 4.705 20 0 JJADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc2c1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC001462922770 1068215313 /nfs/dbraw/zinc/21/53/13/1068215313.db2.gz IYLJPMLFGDHNGN-NRFANRHFSA-N 1 0 454.558 4.946 20 0 JJADRO Cc1cc(S(=O)(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c(Cl)cc1F ZINC001463033566 1068258097 /nfs/dbraw/zinc/25/80/97/1068258097.db2.gz WGNCHKUVDGEKOE-UHFFFAOYSA-N 1 0 453.023 4.801 20 0 JJADRO Cc1ccc(S(=O)(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc1Br ZINC001463039020 1068260224 /nfs/dbraw/zinc/26/02/24/1068260224.db2.gz WTBYUILTCJUEHV-QGZVFWFLSA-N 1 0 451.430 4.699 20 0 JJADRO CC(C)C[C@H](CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2)[NH2+][C@H](C)c1ccccc1 ZINC001463071533 1068276730 /nfs/dbraw/zinc/27/67/30/1068276730.db2.gz CETKITWCYYIYBX-SQGPQFPESA-N 1 0 451.032 4.707 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1)CC1CC1 ZINC001546136538 1068287588 /nfs/dbraw/zinc/28/75/88/1068287588.db2.gz IGZBBVOHEHJUPQ-INIZCTEOSA-N 1 0 455.412 4.716 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001463120236 1068293901 /nfs/dbraw/zinc/29/39/01/1068293901.db2.gz IVOSOPMCVKQMOA-JOCHJYFZSA-N 1 0 456.652 4.931 20 0 JJADRO C[C@@]1(NC(=O)c2ncsc2Br)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463145824 1068302167 /nfs/dbraw/zinc/30/21/67/1068302167.db2.gz DZLRSCDOCFIBOD-PGRDOPGGSA-N 1 0 456.409 4.694 20 0 JJADRO C[C@@]1(NC(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463149612 1068303536 /nfs/dbraw/zinc/30/35/36/1068303536.db2.gz OQLPSEZQRUNFOG-KELBGUDLSA-N 1 0 460.540 4.909 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC[C@H]3CCCC[N@H+]3C)cc12 ZINC001463219854 1068323918 /nfs/dbraw/zinc/32/39/18/1068323918.db2.gz AQVGRJFZZHBJKS-MRXNPFEDSA-N 1 0 451.423 4.975 20 0 JJADRO C[C@@H](Cc1ccsc1)N(C)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001463242651 1068332992 /nfs/dbraw/zinc/33/29/92/1068332992.db2.gz ZTCCWNFISBKXQA-PNTFMKQHSA-N 1 0 472.651 4.748 20 0 JJADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H](C)c2ccc(F)cc2F)cc1 ZINC001463247725 1068333758 /nfs/dbraw/zinc/33/37/58/1068333758.db2.gz BSYSBEGDALYTRP-YZXAJQSBSA-N 1 0 470.585 4.922 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463344324 1068364449 /nfs/dbraw/zinc/36/44/49/1068364449.db2.gz UAPWTOONIDRODP-NAVOZUGXSA-N 1 0 469.670 4.829 20 0 JJADRO CCCN(C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001463369466 1068374549 /nfs/dbraw/zinc/37/45/49/1068374549.db2.gz ZNOSRRNTKLMKAO-NRFANRHFSA-N 1 0 454.014 4.596 20 0 JJADRO CS[C@@H]1CCCCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463375542 1068376445 /nfs/dbraw/zinc/37/64/45/1068376445.db2.gz INNNZQGGOYBWPK-DSNGMDLFSA-N 1 0 458.693 4.510 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc(COc4ccccc4Br)cc3)C[C@H]2C1 ZINC001463386950 1068380955 /nfs/dbraw/zinc/38/09/55/1068380955.db2.gz FAMRNOLIZHWQPI-PWRODBHTSA-N 1 0 457.412 4.830 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NC(=O)c2cccc(I)c2C)c1 ZINC001463392777 1068382581 /nfs/dbraw/zinc/38/25/81/1068382581.db2.gz IOUOGXCZRLIZBN-UHFFFAOYSA-N 1 0 452.336 4.573 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001463412828 1068389796 /nfs/dbraw/zinc/38/97/96/1068389796.db2.gz LTUZXDDMXUHYOZ-HOFKKMOUSA-N 1 0 455.643 4.681 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1)c1ccccc1 ZINC001463425763 1068393160 /nfs/dbraw/zinc/39/31/60/1068393160.db2.gz NFIMHGGGQNWFOR-QFIPXVFZSA-N 1 0 455.599 4.614 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3Cl)c3cnccc32)CC1 ZINC001463430582 1068394929 /nfs/dbraw/zinc/39/49/29/1068394929.db2.gz JGOALGMZRZSPRT-UHFFFAOYSA-N 1 0 459.775 4.655 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)[NH+]2CCCC2)c1 ZINC001463554043 1068439459 /nfs/dbraw/zinc/43/94/59/1068439459.db2.gz AYAFEIYRIWUZBN-JOCHJYFZSA-N 1 0 459.377 4.755 20 0 JJADRO COc1cccc([C@H](CNC(=O)Cc2ccc(Br)c(Cl)c2)[NH+]2CCCC2)c1 ZINC001463558688 1068441937 /nfs/dbraw/zinc/44/19/37/1068441937.db2.gz RJBAJQZJJUCJQG-FQEVSTJZSA-N 1 0 451.792 4.607 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)[NH+]2CCCC2)c1 ZINC001463559494 1068442629 /nfs/dbraw/zinc/44/26/29/1068442629.db2.gz TWSLOGZVCJGYEM-JOCHJYFZSA-N 1 0 459.377 4.755 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)[NH+]2CCCC2)c1 ZINC001463560205 1068443497 /nfs/dbraw/zinc/44/34/97/1068443497.db2.gz WEQKCHLAGUULAT-QHCPKHFHSA-N 1 0 452.986 4.718 20 0 JJADRO COc1ccc([C@@H](CNC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC001463562006 1068444030 /nfs/dbraw/zinc/44/40/30/1068444030.db2.gz GQFBLHCNMMFALK-VGOFRKELSA-N 1 0 450.501 4.726 20 0 JJADRO COc1ccc([C@@H](CNC(=O)c2cc3c(ccc(C)c3Br)[nH]2)[NH+]2CCCC2)cc1 ZINC001463561783 1068444325 /nfs/dbraw/zinc/44/43/25/1068444325.db2.gz FKRAIMZIEVENOJ-OAQYLSRUSA-N 1 0 456.384 4.814 20 0 JJADRO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cnn1-c1ccc(Br)cc1 ZINC001463564245 1068445108 /nfs/dbraw/zinc/44/51/08/1068445108.db2.gz JWTBAHQABXYGNE-UHFFFAOYSA-N 1 0 459.432 4.862 20 0 JJADRO COc1cccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)NCC[NH+](C)C)c1OC ZINC001463658975 1068485723 /nfs/dbraw/zinc/48/57/23/1068485723.db2.gz ONJVLOYCERIIOE-FBKQIBBUSA-N 1 0 459.590 4.666 20 0 JJADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463678795 1068491763 /nfs/dbraw/zinc/49/17/63/1068491763.db2.gz WDAGUGNFULAYIX-UHFFFAOYSA-N 1 0 458.249 4.643 20 0 JJADRO C[C@H](NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)c1ccc(Cl)cn1 ZINC001463690938 1068495573 /nfs/dbraw/zinc/49/55/73/1068495573.db2.gz IHRAEAYAYNXEAR-OZWPHOJSSA-N 1 0 474.001 4.523 20 0 JJADRO C[C@H](CCc1ccc(I)cc1)CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001463722393 1068504901 /nfs/dbraw/zinc/50/49/01/1068504901.db2.gz BGHGJHFCMDKTAZ-QZTJIDSGSA-N 1 0 456.412 4.631 20 0 JJADRO CC(C)CCOc1ccc(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001463768967 1068518218 /nfs/dbraw/zinc/51/82/18/1068518218.db2.gz RQGRGCCZBDACME-CWAQXLGLSA-N 1 0 456.652 4.976 20 0 JJADRO Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c(=O)[nH]1 ZINC001463771112 1068520077 /nfs/dbraw/zinc/52/00/77/1068520077.db2.gz UPEHBAHCVPIRLD-XMMPIXPASA-N 1 0 458.606 4.621 20 0 JJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(I)c(C)cc1C ZINC001463773960 1068520465 /nfs/dbraw/zinc/52/04/65/1068520465.db2.gz IRYOBCFLPGJSNZ-UHFFFAOYSA-N 1 0 450.364 4.680 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC001463774055 1068521223 /nfs/dbraw/zinc/52/12/23/1068521223.db2.gz XJLKPLOZTNLBMO-DEOSSOPVSA-N 1 0 451.611 4.945 20 0 JJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccccc1OCc1cn2cc(C)ccc2n1 ZINC001463778542 1068522092 /nfs/dbraw/zinc/52/20/92/1068522092.db2.gz WPEPNYQWHZNROS-UHFFFAOYSA-N 1 0 456.590 4.994 20 0 JJADRO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)[NH+](CC)CC)cc1 ZINC001463790048 1068524575 /nfs/dbraw/zinc/52/45/75/1068524575.db2.gz DCGYMQFNEGQGSF-KRWDZBQOSA-N 1 0 459.439 4.926 20 0 JJADRO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc3sc(Cl)nc3c2)[NH+](CC)CC)cc1 ZINC001463790930 1068525188 /nfs/dbraw/zinc/52/51/88/1068525188.db2.gz GKEMYAVWDNTBJP-LJQANCHMSA-N 1 0 452.045 4.874 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001463812785 1068533996 /nfs/dbraw/zinc/53/39/96/1068533996.db2.gz REDIUZSNXWMKBC-OYDLWJJNSA-N 1 0 455.643 4.714 20 0 JJADRO CC[C@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC001463826121 1068538177 /nfs/dbraw/zinc/53/81/77/1068538177.db2.gz PJGZVEXNQKAOHG-GBXCKJPGSA-N 1 0 450.023 4.773 20 0 JJADRO Cc1cccc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1Cl ZINC001463846139 1068546356 /nfs/dbraw/zinc/54/63/56/1068546356.db2.gz MBNTURADOPRCJJ-FCHUYYIVSA-N 1 0 458.986 4.734 20 0 JJADRO CC(C)(C)OC(=O)NC1(CNC(=O)OCC2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001463866653 1068550897 /nfs/dbraw/zinc/55/08/97/1068550897.db2.gz VXYDZHOYOCEWQB-UHFFFAOYSA-N 1 0 459.631 4.852 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1cccc(OC)c1 ZINC001463920055 1068566113 /nfs/dbraw/zinc/56/61/13/1068566113.db2.gz VOGTYYREWCQTCV-HSZRJFAPSA-N 1 0 455.002 4.964 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)cc2)CC1 ZINC001464019078 1068590451 /nfs/dbraw/zinc/59/04/51/1068590451.db2.gz OBMGTUUCUZXAJS-UHFFFAOYSA-N 1 0 452.986 4.871 20 0 JJADRO CC[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccc(-c4ccc(Br)cc4)s3)CC2)CC[N@@H+]1C ZINC001464042424 1068598109 /nfs/dbraw/zinc/59/81/09/1068598109.db2.gz MLMDBKISQVOCFI-LEWJYISDSA-N 1 0 476.484 4.552 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC001464076968 1068607043 /nfs/dbraw/zinc/60/70/43/1068607043.db2.gz AOPZDYDCTNRHCW-IBGZPJMESA-N 1 0 459.516 4.610 20 0 JJADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC(C)(C)c2ccc(C)cn2)cc1 ZINC001464083111 1068608279 /nfs/dbraw/zinc/60/82/79/1068608279.db2.gz WEUBMFQPOXJPSZ-IZZNHLLZSA-N 1 0 477.674 4.564 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ncoc3-c3ccccc3Cl)CC2)c1 ZINC001464102258 1068615971 /nfs/dbraw/zinc/61/59/71/1068615971.db2.gz OCICLBNKOMKLRV-UHFFFAOYSA-N 1 0 452.986 4.636 20 0 JJADRO CCc1sc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1Br ZINC001464122067 1068622406 /nfs/dbraw/zinc/62/24/06/1068622406.db2.gz OQFKTIOHVVSPHP-GJZGRUSLSA-N 1 0 451.430 4.612 20 0 JJADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H](c1ccccc1)C1CC1 ZINC001464123953 1068623138 /nfs/dbraw/zinc/62/31/38/1068623138.db2.gz UHXFBFDPZQEKPZ-DEOSSOPVSA-N 1 0 459.556 4.918 20 0 JJADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H](c1ccccc1)C1CC1 ZINC001464123954 1068623161 /nfs/dbraw/zinc/62/31/61/1068623161.db2.gz UHXFBFDPZQEKPZ-XMMPIXPASA-N 1 0 459.556 4.918 20 0 JJADRO COc1ccc(/C(C)=C\C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001464124360 1068623567 /nfs/dbraw/zinc/62/35/67/1068623567.db2.gz IPHOAFKSHGDNFF-ATJXCDBQSA-N 1 0 455.602 4.737 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)c(Cl)c1F ZINC001464124118 1068623686 /nfs/dbraw/zinc/62/36/86/1068623686.db2.gz GNKOMGVUSCRYTM-UHFFFAOYSA-N 1 0 455.936 4.870 20 0 JJADRO CC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001464125404 1068624272 /nfs/dbraw/zinc/62/42/72/1068624272.db2.gz NACXTOYYRPAKIL-MHZLTWQESA-N 1 0 457.618 4.791 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(I)cc(C)c1C)c1ccsc1 ZINC001464139523 1068631962 /nfs/dbraw/zinc/63/19/62/1068631962.db2.gz LDABXSVJHWVGNQ-SFHVURJKSA-N 1 0 456.393 4.782 20 0 JJADRO CC(C)(C)OC(=O)COc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC001464141391 1068631976 /nfs/dbraw/zinc/63/19/76/1068631976.db2.gz ZIYAQSSTAREULH-JOCHJYFZSA-N 1 0 458.986 4.627 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC001464149197 1068633716 /nfs/dbraw/zinc/63/37/16/1068633716.db2.gz BZPKEZRTHKNIBI-FQEVSTJZSA-N 1 0 451.611 4.873 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)C1 ZINC001464154049 1068634958 /nfs/dbraw/zinc/63/49/58/1068634958.db2.gz MICMPCKPBOAVFK-GOSISDBHSA-N 1 0 453.583 4.901 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3c4ccccc4nc3SC(F)F)cc2)C1 ZINC001464154814 1068635775 /nfs/dbraw/zinc/63/57/75/1068635775.db2.gz QHZVEBXBHQNZJL-QGZVFWFLSA-N 1 0 458.578 4.899 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc4cncc(Br)c4n3)cc2)C1 ZINC001464154855 1068635809 /nfs/dbraw/zinc/63/58/09/1068635809.db2.gz QWJAGDNTFZZDKW-MRXNPFEDSA-N 1 0 453.384 4.554 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001464157735 1068636929 /nfs/dbraw/zinc/63/69/29/1068636929.db2.gz YROJAPLHAZWHLO-GBXCKJPGSA-N 1 0 451.611 4.801 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)CC1 ZINC001464158981 1068637585 /nfs/dbraw/zinc/63/75/85/1068637585.db2.gz KXSCFGHLKNXNIJ-MHZLTWQESA-N 1 0 459.659 4.974 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc2)CC1 ZINC001464158974 1068637694 /nfs/dbraw/zinc/63/76/94/1068637694.db2.gz KXSCFGHLKNXNIJ-HHHXNRCGSA-N 1 0 459.659 4.974 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)cc1 ZINC001464179649 1068644908 /nfs/dbraw/zinc/64/49/08/1068644908.db2.gz ZCSVXGHZRARXSM-MRXNPFEDSA-N 1 0 458.393 4.879 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(OCc3ccccc3)CCOCC2)C1 ZINC001464191741 1068650131 /nfs/dbraw/zinc/65/01/31/1068650131.db2.gz BXCDIKRCVATBJE-GOTSBHOMSA-N 1 0 450.623 4.547 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)cc1 ZINC001464197479 1068652268 /nfs/dbraw/zinc/65/22/68/1068652268.db2.gz BUPVCWYZWPYXLA-UHFFFAOYSA-N 1 0 459.182 4.513 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1csc2ccccc12 ZINC001464201559 1068654901 /nfs/dbraw/zinc/65/49/01/1068654901.db2.gz YDWKFIZMKXCJPE-OAQYLSRUSA-N 1 0 453.608 4.543 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001464203671 1068655509 /nfs/dbraw/zinc/65/55/09/1068655509.db2.gz PMMXYKLQFOVQRV-CTVDGRRTSA-N 1 0 457.659 4.864 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 ZINC001464203438 1068655514 /nfs/dbraw/zinc/65/55/14/1068655514.db2.gz CVVHRUOOZDJHTM-UHFFFAOYSA-N 1 0 457.372 4.812 20 0 JJADRO CC1CC[NH+](CCCCNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)CC1 ZINC001464210589 1068659362 /nfs/dbraw/zinc/65/93/62/1068659362.db2.gz AXYCGXBBSAZBCN-UHFFFAOYSA-N 1 0 456.940 4.846 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3(OCc4ccccc4)CCOCC3)cc2)C1 ZINC001464213985 1068660460 /nfs/dbraw/zinc/66/04/60/1068660460.db2.gz VBOWNZSEZDDJCO-ZRZAMGCNSA-N 1 0 450.623 4.547 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)/C=C\c2ccc(C)cc2)cc1 ZINC001464225508 1068665018 /nfs/dbraw/zinc/66/50/18/1068665018.db2.gz DSSNNQNCCJGFCI-LIAODFIFSA-N 1 0 462.615 4.562 20 0 JJADRO C[C@@H](Oc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1)c1ccccc1 ZINC001464276551 1068686204 /nfs/dbraw/zinc/68/62/04/1068686204.db2.gz WTXNGTWOVOCZDO-HXUWFJFHSA-N 1 0 457.574 4.776 20 0 JJADRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC001464298058 1068696370 /nfs/dbraw/zinc/69/63/70/1068696370.db2.gz UQBIKSXBOURUHX-UHFFFAOYSA-N 1 0 455.027 4.695 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001464302479 1068698378 /nfs/dbraw/zinc/69/83/78/1068698378.db2.gz WKJNSQZVEFWQMF-JOCHJYFZSA-N 1 0 459.631 4.773 20 0 JJADRO CCCOc1cc(C)ccc1NC(=O)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001464311795 1068700722 /nfs/dbraw/zinc/70/07/22/1068700722.db2.gz KJNCJCKKTOFGEC-JOCHJYFZSA-N 1 0 455.599 4.748 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C)CC1 ZINC001464317966 1068703281 /nfs/dbraw/zinc/70/32/81/1068703281.db2.gz HFBHFBNOTHQHIR-XMMPIXPASA-N 1 0 451.611 4.650 20 0 JJADRO CCOC(=O)C1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001464373593 1068722151 /nfs/dbraw/zinc/72/21/51/1068722151.db2.gz IIFBNITVFUWPBP-OSMLLJOWSA-N 1 0 469.025 4.794 20 0 JJADRO CO[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1ccc(Br)s1 ZINC001464395040 1068730401 /nfs/dbraw/zinc/73/04/01/1068730401.db2.gz AQQPKJVCNQPWCW-PXNSSMCTSA-N 1 0 451.430 4.788 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001464399587 1068733068 /nfs/dbraw/zinc/73/30/68/1068733068.db2.gz LFYJOACFXYNWFZ-TZRRMPRUSA-N 1 0 455.643 4.754 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)CN(C(=O)c2ccccc2)c2ccccc2)c2ccccc2)CC1 ZINC001464401351 1068733600 /nfs/dbraw/zinc/73/36/00/1068733600.db2.gz OZFYVKXTOCJNBT-MHZLTWQESA-N 1 0 455.602 4.923 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)COc2ccccc2OCC(F)(F)F)c2ccccc2)CC1 ZINC001464405212 1068735112 /nfs/dbraw/zinc/73/51/12/1068735112.db2.gz XRGJDLOGKPLNLE-HXUWFJFHSA-N 1 0 450.501 4.596 20 0 JJADRO Cc1nc(-c2ccc(S(=O)(=O)NCC3([N@H+](C)Cc4ccccc4)CCCCC3)cc2)co1 ZINC001464440836 1068746544 /nfs/dbraw/zinc/74/65/44/1068746544.db2.gz PHKAVDTXSMWDEU-UHFFFAOYSA-N 1 0 453.608 4.763 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001464450787 1068750730 /nfs/dbraw/zinc/75/07/30/1068750730.db2.gz XPPDAFZFMXJJEK-PKTZIBPZSA-N 1 0 478.077 4.869 20 0 JJADRO CC[N@H+](C)Cc1cccc(CNC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc32)c1 ZINC001464460761 1068755010 /nfs/dbraw/zinc/75/50/10/1068755010.db2.gz IRLLPPUGMQQETL-UHFFFAOYSA-N 1 0 459.619 4.847 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(N)c(OC(F)(F)F)c3)cc2Cl)CC1 ZINC001464461115 1068755037 /nfs/dbraw/zinc/75/50/37/1068755037.db2.gz FHLCUWOEZQYFPB-UHFFFAOYSA-N 1 0 456.896 4.605 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC001464490471 1068764430 /nfs/dbraw/zinc/76/44/30/1068764430.db2.gz DNRBSMMMEZIIIU-KRWDZBQOSA-N 1 0 451.320 4.664 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001464490251 1068764486 /nfs/dbraw/zinc/76/44/86/1068764486.db2.gz BAQGUCVPUBBKNQ-QHCPKHFHSA-N 1 0 457.659 4.803 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Br)cc1N ZINC001464491970 1068765229 /nfs/dbraw/zinc/76/52/29/1068765229.db2.gz MRCRSMSTHAWCPZ-UHFFFAOYSA-N 1 0 459.215 4.932 20 0 JJADRO CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC001464493133 1068765670 /nfs/dbraw/zinc/76/56/70/1068765670.db2.gz BDLVNBHVCCAAPO-QHCPKHFHSA-N 1 0 459.631 4.520 20 0 JJADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001464544247 1068777381 /nfs/dbraw/zinc/77/73/81/1068777381.db2.gz JOLZQBJUXMAKRE-MRXNPFEDSA-N 1 0 453.384 4.521 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1)c1ccco1 ZINC001464545017 1068777786 /nfs/dbraw/zinc/77/77/86/1068777786.db2.gz CEJGBHGSAGSMMZ-LJQANCHMSA-N 1 0 459.388 4.658 20 0 JJADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O ZINC001464558798 1068781219 /nfs/dbraw/zinc/78/12/19/1068781219.db2.gz IGCJAAPWTGNGFS-QHCPKHFHSA-N 1 0 451.636 4.659 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC001464559135 1068781830 /nfs/dbraw/zinc/78/18/30/1068781830.db2.gz JJHPAFISZPLNAC-MRXNPFEDSA-N 1 0 455.965 4.502 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)[NH+]2CCCC2)cc1 ZINC001464583289 1068791401 /nfs/dbraw/zinc/79/14/01/1068791401.db2.gz IJCGIGBFWGOHEL-HXUWFJFHSA-N 1 0 454.368 4.578 20 0 JJADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001464628875 1068803496 /nfs/dbraw/zinc/80/34/96/1068803496.db2.gz LJSCABCCEKVICU-CUWPLCDZSA-N 1 0 455.565 4.632 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CSc1nccc2ccccc21 ZINC001464634666 1068805476 /nfs/dbraw/zinc/80/54/76/1068805476.db2.gz CXFSHMAEEGCCFD-UHFFFAOYSA-N 1 0 458.425 4.680 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001464640074 1068808220 /nfs/dbraw/zinc/80/82/20/1068808220.db2.gz LSSNABQCSXRCMF-UHFFFAOYSA-N 1 0 454.290 4.552 20 0 JJADRO F[C@]1(N2CCC3(CCCC[NH2+]3)CC2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164387745 718803397 /nfs/dbraw/zinc/80/33/97/718803397.db2.gz NWNHXVZVHUIGIA-QHCPKHFHSA-N 1 0 464.416 4.530 20 0 JJADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@H]4c5ccccc5C(=O)[C@@H]4C3)c21 ZINC001164405569 718848019 /nfs/dbraw/zinc/84/80/19/718848019.db2.gz LVJOSLVHARZBQK-FCHUYYIVSA-N 1 0 499.998 4.813 20 0 JJADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164414162 718880837 /nfs/dbraw/zinc/88/08/37/718880837.db2.gz QZYMLVHTCZBWAH-SFHVURJKSA-N 1 0 479.616 4.819 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001164414353 718881373 /nfs/dbraw/zinc/88/13/73/718881373.db2.gz SATAFTPSLWUNGB-INIZCTEOSA-N 1 0 455.594 4.803 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](c4ccccc4)C(=O)N3CCOC)CC2)nc1 ZINC001164430492 718954668 /nfs/dbraw/zinc/95/46/68/718954668.db2.gz WGOKIACMLSLICQ-CLJLJLNGSA-N 1 0 476.665 4.630 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164614510 719008435 /nfs/dbraw/zinc/00/84/35/719008435.db2.gz FTSVQFWKCDYTCN-JTSKRJEESA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC2)CC1 ZINC001164613756 719024126 /nfs/dbraw/zinc/02/41/26/719024126.db2.gz CEPZXEABRWWZGH-UHFFFAOYSA-N 1 0 478.971 4.586 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)CC2)CC1 ZINC001164616987 719028169 /nfs/dbraw/zinc/02/81/69/719028169.db2.gz GXXBDTXMDNKCPM-UHFFFAOYSA-N 1 0 487.378 4.725 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc4ccccc4nc3Cl)CC2)CC1 ZINC001164617810 719029382 /nfs/dbraw/zinc/02/93/82/719029382.db2.gz PLDILEAIKCSNIV-UHFFFAOYSA-N 1 0 451.945 4.677 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(OCc4ccccc4)cc3Cl)CC2)CC1 ZINC001164616438 719030959 /nfs/dbraw/zinc/03/09/59/719030959.db2.gz FAQBQDTZRZXBBU-UHFFFAOYSA-N 1 0 458.002 4.558 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4cccnc4)nc4sc(C)c(C)c43)CC2)CC1 ZINC001164617104 719032057 /nfs/dbraw/zinc/03/20/57/719032057.db2.gz GSGXPDXNQBMBOR-UHFFFAOYSA-N 1 0 479.650 4.614 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)nc4scc(-c5cccs5)c43)CC2)CC1 ZINC001164616420 719032084 /nfs/dbraw/zinc/03/20/84/719032084.db2.gz BOLXLDABYYCEKR-UHFFFAOYSA-N 1 0 470.664 4.972 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC2)CC1 ZINC001164618610 719032178 /nfs/dbraw/zinc/03/21/78/719032178.db2.gz VQIXVXYTIJGKMW-UHFFFAOYSA-N 1 0 478.971 4.586 20 0 JJADRO c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2nc(CN4CCCC4)nc4sc5c(c42)CCCC5)C3)cc1 ZINC001164619276 719047716 /nfs/dbraw/zinc/04/77/16/719047716.db2.gz CHGQXMALNYSWSD-RBISFHTESA-N 1 0 473.690 4.749 20 0 JJADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164618502 719068092 /nfs/dbraw/zinc/06/80/92/719068092.db2.gz AXKZUKFFYKBCPN-VXKWHMMOSA-N 1 0 458.997 4.629 20 0 JJADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]2CF)CC1 ZINC001164625387 719121161 /nfs/dbraw/zinc/12/11/61/719121161.db2.gz XFFFYGQORORSNQ-FPOVZHCZSA-N 1 0 465.642 4.857 20 0 JJADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]2CF)CC1 ZINC001164621074 719122244 /nfs/dbraw/zinc/12/22/44/719122244.db2.gz KJLPPNBCKCTLQD-SJLPKXTDSA-N 1 0 471.671 4.919 20 0 JJADRO [NH3+]C1([C@H]2CN(C(F)(F)c3cc(-c4cccc(C(F)(F)F)c4)nnc3Cl)C[C@@H]2CF)CC1 ZINC001164620624 719126378 /nfs/dbraw/zinc/12/63/78/719126378.db2.gz JCWUVBYXCPXUIS-WFASDCNBSA-N 1 0 464.841 4.874 20 0 JJADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cc(-c4ccccc4C(F)(F)F)nnc3Cl)C[C@H]2CF)CC1 ZINC001164624141 719126462 /nfs/dbraw/zinc/12/64/62/719126462.db2.gz UBFBSALVLDGBLG-IAQYHMDHSA-N 1 0 464.841 4.874 20 0 JJADRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164638325 719260959 /nfs/dbraw/zinc/26/09/59/719260959.db2.gz OLBBQUMAHMNDNX-CAVYSCNFSA-N 1 0 469.633 4.910 20 0 JJADRO c1sc([C@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3O2)nc1C1CC1 ZINC001164645066 719288398 /nfs/dbraw/zinc/28/83/98/719288398.db2.gz BGJQFYFGKUXVLC-FTBPSBKWSA-N 1 0 458.631 4.940 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164647097 719291058 /nfs/dbraw/zinc/29/10/58/719291058.db2.gz QTMIPWZVKSHLDZ-YSSFQJQWSA-N 1 0 478.996 4.957 20 0 JJADRO Cc1ccc2nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ccc2c1 ZINC001164682131 719656121 /nfs/dbraw/zinc/65/61/21/719656121.db2.gz SMBXCATXZVGYPJ-QHCPKHFHSA-N 1 0 456.634 4.637 20 0 JJADRO CSc1nc2sccc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683434 719659706 /nfs/dbraw/zinc/65/97/06/719659706.db2.gz VLRNKVZDTMZEIJ-SFHVURJKSA-N 1 0 495.718 4.507 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(-c4ccccc4)ccn3)CC2)c2ccccc21 ZINC001164681754 719662615 /nfs/dbraw/zinc/66/26/15/719662615.db2.gz QPEPYQOSDNQAOF-VWLOTQADSA-N 1 0 468.645 4.842 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4cc(Cl)ccc43)CC2)c2ccccc21 ZINC001164680040 719664435 /nfs/dbraw/zinc/66/44/35/719664435.db2.gz CVZDUPKJCBEJQM-OAQYLSRUSA-N 1 0 477.052 4.982 20 0 JJADRO Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)cc1Cl ZINC001164680460 719675589 /nfs/dbraw/zinc/67/55/89/719675589.db2.gz FNMBNOOJCJSFJJ-GOSISDBHSA-N 1 0 475.464 4.790 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc4nc(Cl)cnc4cc3F)CC2)c2ccccc21 ZINC001164681874 719679414 /nfs/dbraw/zinc/67/94/14/719679414.db2.gz NWZNPNPNNUSLHV-SFHVURJKSA-N 1 0 496.030 4.516 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nnc(Cl)c4ccc(F)cc43)CC2)c2ccccc21 ZINC001164683516 719679956 /nfs/dbraw/zinc/67/99/56/719679956.db2.gz RZLINSCFCUXNLQ-GOSISDBHSA-N 1 0 496.030 4.516 20 0 JJADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc(Cl)c1-c1ccccc1)CC2 ZINC001164683630 719717293 /nfs/dbraw/zinc/71/72/93/719717293.db2.gz BFPCFWNMNKCLRP-UHFFFAOYSA-N 1 0 476.024 4.645 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(=O)N4CCCCC4)cc(Cl)n2)CC3)cs1 ZINC001164691209 719805589 /nfs/dbraw/zinc/80/55/89/719805589.db2.gz FXQLXQLTRPEGJS-UHFFFAOYSA-N 1 0 474.074 4.761 20 0 JJADRO CCOc1cc2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2cc1OCC ZINC001164693699 719809115 /nfs/dbraw/zinc/80/91/15/719809115.db2.gz QWMFSSSCPDSMRD-UHFFFAOYSA-N 1 0 467.639 4.827 20 0 JJADRO CCOC(=O)c1cc2c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164694341 719810298 /nfs/dbraw/zinc/81/02/98/719810298.db2.gz VIBVHKKLUWZLET-UHFFFAOYSA-N 1 0 467.639 4.756 20 0 JJADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc12 ZINC001164694863 719888903 /nfs/dbraw/zinc/88/89/03/719888903.db2.gz FTOMGBWYJKBVMY-UHFFFAOYSA-N 1 0 482.959 4.900 20 0 JJADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164695675 719889007 /nfs/dbraw/zinc/88/90/07/719889007.db2.gz QLTCADGRBIUDAY-UHFFFAOYSA-N 1 0 497.064 4.598 20 0 JJADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697013 719892733 /nfs/dbraw/zinc/89/27/33/719892733.db2.gz IWJGDZRVJBTIOW-UHFFFAOYSA-N 1 0 452.958 4.694 20 0 JJADRO Fc1ccc(Cn2ccc3c2ncnc3N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001164696198 719893797 /nfs/dbraw/zinc/89/37/97/719893797.db2.gz BIWYTJDQTOCTEP-UHFFFAOYSA-N 1 0 477.609 4.552 20 0 JJADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699286 719894176 /nfs/dbraw/zinc/89/41/76/719894176.db2.gz YWPPBGAVPWMNNE-UHFFFAOYSA-N 1 0 464.969 4.761 20 0 JJADRO COC(=O)c1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2C)cc1 ZINC001164696217 719896712 /nfs/dbraw/zinc/89/67/12/719896712.db2.gz CJNHUKQLEHAQFC-UHFFFAOYSA-N 1 0 477.630 4.777 20 0 JJADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nc5ccccc5nc4N4CCCCC4)CC3)C2)c1 ZINC001164696165 719897426 /nfs/dbraw/zinc/89/74/26/719897426.db2.gz ADZKAMBTHLTJPT-UHFFFAOYSA-N 1 0 463.651 4.553 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707076 719899638 /nfs/dbraw/zinc/89/96/38/719899638.db2.gz NBTGOPNZXSWDCG-UHFFFAOYSA-N 1 0 491.995 4.670 20 0 JJADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164705471 719901000 /nfs/dbraw/zinc/90/10/00/719901000.db2.gz BZZYCNSFGBUNPI-QHCPKHFHSA-N 1 0 489.016 4.857 20 0 JJADRO COc1ccc(Cc2c(C)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2C)cc1 ZINC001164707360 719902886 /nfs/dbraw/zinc/90/28/86/719902886.db2.gz QHTUPOVETUXIBR-UHFFFAOYSA-N 1 0 478.662 4.626 20 0 JJADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nc(-c5ccncc5)nc5sccc54)CC3)C2)c1 ZINC001164707282 719904186 /nfs/dbraw/zinc/90/41/86/719904186.db2.gz OCLPQXSGDVMXHJ-UHFFFAOYSA-N 1 0 463.632 4.686 20 0 JJADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccnc(CSc5ccccc5)n4)CC3)C2)c1 ZINC001164707925 719907952 /nfs/dbraw/zinc/90/79/52/719907952.db2.gz ZMMHQTJCFCEBTI-UHFFFAOYSA-N 1 0 452.649 4.702 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707285 719909942 /nfs/dbraw/zinc/90/99/42/719909942.db2.gz OIZUKYPQSMTMRM-UHFFFAOYSA-N 1 0 453.986 4.702 20 0 JJADRO FC(F)(N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2)C1(c2ccnc(Cl)c2)CC1 ZINC001164706333 719910603 /nfs/dbraw/zinc/91/06/03/719910603.db2.gz HYNLNGPQMZXYFN-UHFFFAOYSA-N 1 0 453.986 4.788 20 0 JJADRO CCO[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@@H]2CCCO[C@@H]12 ZINC001164715203 720062858 /nfs/dbraw/zinc/06/28/58/720062858.db2.gz RYHLOHCVYRFLSE-VDKIKQQVSA-N 1 0 484.040 4.529 20 0 JJADRO COc1cccc(NC(=O)c2nc3c(s2)CC[N@@H+](C(C)(C)c2ccnc(Cl)c2)CC3)c1 ZINC001164709186 720088506 /nfs/dbraw/zinc/08/85/06/720088506.db2.gz CBCVCJKIYUFVOO-UHFFFAOYSA-N 1 0 456.999 4.788 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164719682 720110685 /nfs/dbraw/zinc/11/06/85/720110685.db2.gz ZYJKARZMYFKIQK-LJQANCHMSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)C2 ZINC001164811146 720111316 /nfs/dbraw/zinc/11/13/16/720111316.db2.gz LTRAUUMGGJNBHA-IRPSRAIASA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CC[C@H](C)C4)CC2 ZINC001164719007 720116193 /nfs/dbraw/zinc/11/61/93/720116193.db2.gz URGBGCVTTLQSOT-PZJWPPBQSA-N 1 0 477.678 4.719 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164714935 720125570 /nfs/dbraw/zinc/12/55/70/720125570.db2.gz FRVLQRRCCWMFHG-FQEVSTJZSA-N 1 0 487.044 4.593 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)CC2 ZINC001164711214 720136423 /nfs/dbraw/zinc/13/64/23/720136423.db2.gz GDBZBNHHKLUDEC-HXUWFJFHSA-N 1 0 477.012 4.667 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164714651 720143414 /nfs/dbraw/zinc/14/34/14/720143414.db2.gz XURUSQMSKWFMMR-QFIPXVFZSA-N 1 0 486.645 4.656 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(Cl)ccc(F)c3n1)CC2 ZINC001164710433 720152610 /nfs/dbraw/zinc/15/26/10/720152610.db2.gz BLAXFDOAPLWNIK-LJQANCHMSA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1Oc1ccccc1F)CC2 ZINC001164710822 720154313 /nfs/dbraw/zinc/15/43/13/720154313.db2.gz DHJVBOXIBYNPKP-FQEVSTJZSA-N 1 0 498.002 4.964 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164713125 720154623 /nfs/dbraw/zinc/15/46/23/720154623.db2.gz REABULPFKPBVDA-DEOSSOPVSA-N 1 0 494.039 4.612 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3scc(-c4cccs4)c31)C2 ZINC001164816901 720170917 /nfs/dbraw/zinc/17/09/17/720170917.db2.gz NPVLIRRFZFHHCF-KOSHJBKYSA-N 1 0 454.665 4.913 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164815631 720172876 /nfs/dbraw/zinc/17/28/76/720172876.db2.gz IQBSBPMVPMBWFW-CVDCTZTESA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164814418 720187378 /nfs/dbraw/zinc/18/73/78/720187378.db2.gz GFRMWBOOCGQMDV-OFNKIYASSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164818723 720188375 /nfs/dbraw/zinc/18/83/75/720188375.db2.gz UIOMGTIVBNYJHB-OFNKIYASSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cc3ccc(Cl)cc3)c(C)n1)C2 ZINC001164818738 720193456 /nfs/dbraw/zinc/19/34/56/720193456.db2.gz ULFOBBGBLMNEJI-GJZUVCINSA-N 1 0 455.046 4.522 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)C2 ZINC001164810179 720197543 /nfs/dbraw/zinc/19/75/43/720197543.db2.gz ABGXMEYLQQXBBO-UZUQRXQVSA-N 1 0 463.409 4.760 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)C2 ZINC001164810177 720198073 /nfs/dbraw/zinc/19/80/73/720198073.db2.gz ABGXMEYLQQXBBO-SBUREZEXSA-N 1 0 463.409 4.760 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)C2 ZINC001164810176 720198255 /nfs/dbraw/zinc/19/82/55/720198255.db2.gz ABGXMEYLQQXBBO-HXOBKFHXSA-N 1 0 463.409 4.760 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3OC)nnc1Cl)C2 ZINC001164814624 720203384 /nfs/dbraw/zinc/20/33/84/720203384.db2.gz VLJSKRQWZNGKHM-UUOWRZLLSA-N 1 0 492.998 4.535 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164810321 720204676 /nfs/dbraw/zinc/20/46/76/720204676.db2.gz CBRRUDYELJCJBR-GCJKJVERSA-N 1 0 451.945 4.725 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccc3)nc3cc(Cl)ccc31)CCC2 ZINC001164812619 720227073 /nfs/dbraw/zinc/22/70/73/720227073.db2.gz HNLWSQZZDNMRGF-UHFFFAOYSA-N 1 0 489.023 4.757 20 0 JJADRO COc1ccc2c(c1)nc(N1CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C1)cc2-c1ccccc1 ZINC001164813937 720236795 /nfs/dbraw/zinc/23/67/95/720236795.db2.gz SGMLLAJHZXIFFX-UHFFFAOYSA-N 1 0 483.616 4.718 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 ZINC001164820569 720307521 /nfs/dbraw/zinc/30/75/21/720307521.db2.gz HMZWHHFEZQIBAQ-WUFINQPMSA-N 1 0 481.644 4.722 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC1 ZINC001164828282 720313739 /nfs/dbraw/zinc/31/37/39/720313739.db2.gz ZWAWQKNVHWUJGT-LEWJYISDSA-N 1 0 497.417 4.998 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c3ccccc32)cc1C ZINC001164828391 720337778 /nfs/dbraw/zinc/33/77/78/720337778.db2.gz OPGLPNVOPNZGEB-RRPNLBNLSA-N 1 0 483.660 4.825 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164826769 720339478 /nfs/dbraw/zinc/33/94/78/720339478.db2.gz KZKHTJDJIUVUIR-WOJBJXKFSA-N 1 0 495.718 4.948 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1 ZINC001164825841 720346264 /nfs/dbraw/zinc/34/62/64/720346264.db2.gz JTBMDRXRMCYQEK-RPBOFIJWSA-N 1 0 494.083 4.587 20 0 JJADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729793 720391999 /nfs/dbraw/zinc/39/19/99/720391999.db2.gz WKMWJUQPGSGZCK-SJORKVTESA-N 1 0 450.320 4.730 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](OCc3csc(C)n3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164824427 720392949 /nfs/dbraw/zinc/39/29/49/720392949.db2.gz RPCHXRWWYLDCRS-FVEXOFTDSA-N 1 0 456.656 4.737 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164732425 720440178 /nfs/dbraw/zinc/44/01/78/720440178.db2.gz NHMOEJSFVWQWNN-VXKWHMMOSA-N 1 0 462.667 4.542 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725776 720496183 /nfs/dbraw/zinc/49/61/83/720496183.db2.gz KDZVELVOFGFTBO-QBMXVRPASA-N 1 0 482.644 4.882 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC[C@@H]21 ZINC001164833271 720521561 /nfs/dbraw/zinc/52/15/61/720521561.db2.gz CPBYNKUZGCEFKV-BXWFABGCSA-N 1 0 478.950 4.542 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)C1 ZINC001164732898 720524454 /nfs/dbraw/zinc/52/44/54/720524454.db2.gz HDUMTEJQDHVEOR-IBGZPJMESA-N 1 0 481.629 4.815 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccsc3)nc3sc4c(c32)CCCC4)C1 ZINC001164732439 720528695 /nfs/dbraw/zinc/52/86/95/720528695.db2.gz CNQXZVCIFNNRBA-MRXNPFEDSA-N 1 0 464.664 4.693 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164733207 720546468 /nfs/dbraw/zinc/54/64/68/720546468.db2.gz CCTFRIMVXICXDS-GOSISDBHSA-N 1 0 450.961 4.858 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164734264 720547771 /nfs/dbraw/zinc/54/77/71/720547771.db2.gz HSFOGGZTXHPVNU-GOSISDBHSA-N 1 0 450.961 4.858 20 0 JJADRO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733124 720557203 /nfs/dbraw/zinc/55/72/03/720557203.db2.gz JXKHCVWLYQFHSM-UHFFFAOYSA-N 1 0 476.987 4.944 20 0 JJADRO Clc1ccc2nc(-c3ccccc3)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164730358 720569011 /nfs/dbraw/zinc/56/90/11/720569011.db2.gz UZCNYVSCECFDTF-UHFFFAOYSA-N 1 0 458.997 4.805 20 0 JJADRO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727082 720570695 /nfs/dbraw/zinc/57/06/95/720570695.db2.gz BBFCDLDGHLNKOY-UHFFFAOYSA-N 1 0 458.997 4.805 20 0 JJADRO Clc1ccc(-c2ccc(C3OCCCO3)c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2)cn1 ZINC001164736496 720576528 /nfs/dbraw/zinc/57/65/28/720576528.db2.gz LXENQHNABAISJX-UHFFFAOYSA-N 1 0 494.039 4.693 20 0 JJADRO CSc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncn2)cc1 ZINC001164835178 720586675 /nfs/dbraw/zinc/58/66/75/720586675.db2.gz AHHMWKRCVTUKHZ-ZRCGQRJVSA-N 1 0 464.639 4.565 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)cnc2Cl)c1 ZINC001164746324 720595052 /nfs/dbraw/zinc/59/50/52/720595052.db2.gz XOKPIVFQLXRJRR-UHFFFAOYSA-N 1 0 487.982 4.811 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@@H]21 ZINC001164839210 720605252 /nfs/dbraw/zinc/60/52/52/720605252.db2.gz MFIBBNQCZLSFJU-FUDKSRODSA-N 1 0 499.688 4.816 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164843253 720606080 /nfs/dbraw/zinc/60/60/80/720606080.db2.gz XAYGBVJBVLGZBO-YTFSRNRJSA-N 1 0 495.741 4.724 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835978 720610598 /nfs/dbraw/zinc/61/05/98/720610598.db2.gz DGVPEXIMAQAJBD-SLYNCCJLSA-N 1 0 470.980 4.636 20 0 JJADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)c1 ZINC001164836578 720623038 /nfs/dbraw/zinc/62/30/38/720623038.db2.gz FUSROWKLSCJDJQ-QHWMMSMNSA-N 1 0 482.632 4.880 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]21 ZINC001164835165 720623618 /nfs/dbraw/zinc/62/36/18/720623618.db2.gz AFIDTIZHCIXJQH-RRPUWOKSSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C(F)F)nc4ccc(Cl)cc43)CC[C@@H]21 ZINC001164837335 720633689 /nfs/dbraw/zinc/63/36/89/720633689.db2.gz IAYFQNYOBHAZPR-SYNHAJSKSA-N 1 0 460.960 4.795 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C(F)F)nc4ccc(Cl)cc43)CC[C@@H]21 ZINC001164837329 720634220 /nfs/dbraw/zinc/63/42/20/720634220.db2.gz IAYFQNYOBHAZPR-KNBMTAEXSA-N 1 0 460.960 4.795 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(F)c3)CC[C@@H]21 ZINC001164838281 720642038 /nfs/dbraw/zinc/64/20/38/720642038.db2.gz KOWCUDXEJCALIN-CUWPLCDZSA-N 1 0 470.980 4.636 20 0 JJADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1 ZINC001164840454 720642155 /nfs/dbraw/zinc/64/21/55/720642155.db2.gz MPUNEOIEVQIQDJ-CNNODRBYSA-N 1 0 483.016 4.505 20 0 JJADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164841964 720642958 /nfs/dbraw/zinc/64/29/58/720642958.db2.gz RGRSTOHZTQGOKY-NNMXDRDESA-N 1 0 483.016 4.505 20 0 JJADRO CCOC(=O)c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc2ccccc21 ZINC001164844917 720688930 /nfs/dbraw/zinc/68/89/30/720688930.db2.gz WHUDDYYFBJIIHT-QFIPXVFZSA-N 1 0 459.590 4.671 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1ccccc1)CC2 ZINC001164841281 720694233 /nfs/dbraw/zinc/69/42/33/720694233.db2.gz IRSBAWAFTCYUEA-VWLOTQADSA-N 1 0 467.617 4.740 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164839560 720708645 /nfs/dbraw/zinc/70/86/45/720708645.db2.gz LUCLJDAITPTYSJ-JOCHJYFZSA-N 1 0 452.599 4.689 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164839012 720711820 /nfs/dbraw/zinc/71/18/20/720711820.db2.gz KHBMYRJIYJUVEP-DEOSSOPVSA-N 1 0 465.601 4.952 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)CC2 ZINC001164836498 720716725 /nfs/dbraw/zinc/71/67/25/720716725.db2.gz BNGNZTQTCDOXSS-HXUWFJFHSA-N 1 0 499.993 4.997 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)CC2 ZINC001164840324 720728440 /nfs/dbraw/zinc/72/84/40/720728440.db2.gz PEEPJKMXYRACQP-FQEVSTJZSA-N 1 0 494.970 4.632 20 0 JJADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837450 720737817 /nfs/dbraw/zinc/73/78/17/720737817.db2.gz KAFSUUJNZCQDJW-UHFFFAOYSA-N 1 0 467.351 4.730 20 0 JJADRO Cc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c(Cl)nn2)cc1 ZINC001164843492 720740729 /nfs/dbraw/zinc/74/07/29/720740729.db2.gz LLYSMGXULFTEII-UHFFFAOYSA-N 1 0 472.971 4.899 20 0 JJADRO CC[C@@H]1N(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CCC[C@@]12CCC(=O)N2 ZINC001164847806 720754157 /nfs/dbraw/zinc/75/41/57/720754157.db2.gz NKOAAMISKJTTDT-WNCULLNHSA-N 1 0 495.067 4.784 20 0 JJADRO Cc1cccc(CN2CC[C@@]3(CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C3)C2=O)c1 ZINC001164854170 720806977 /nfs/dbraw/zinc/80/69/77/720806977.db2.gz UCUMGUMKZMGKCE-PMERELPUSA-N 1 0 466.629 4.577 20 0 JJADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741492 720820056 /nfs/dbraw/zinc/82/00/56/720820056.db2.gz NVUWWCXQDRCFGQ-WWPJHQMMSA-N 1 0 491.643 4.782 20 0 JJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742463 720845062 /nfs/dbraw/zinc/84/50/62/720845062.db2.gz GQJUUSSFIWCYPU-CKEIUWERSA-N 1 0 491.801 4.558 20 0 JJADRO COc1ccc2c(c1)nc(N1CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)cc2-c1ccccc1 ZINC001164740523 720847827 /nfs/dbraw/zinc/84/78/27/720847827.db2.gz CFJSUEBFZFXEPT-NDDXJGTKSA-N 1 0 494.643 4.881 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164753085 720851739 /nfs/dbraw/zinc/85/17/39/720851739.db2.gz WIGGRJSFVGZRIB-JBRSBNLGSA-N 1 0 497.672 4.843 20 0 JJADRO CC(C)c1cc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164754372 720869010 /nfs/dbraw/zinc/86/90/10/720869010.db2.gz RMKLMEOOXBIARB-CUNXSJBXSA-N 1 0 477.678 4.965 20 0 JJADRO Clc1cc(-c2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)ccn1 ZINC001164752467 720880134 /nfs/dbraw/zinc/88/01/34/720880134.db2.gz NBDZKCMYWDOFOY-LSYYVWMOSA-N 1 0 490.051 4.947 20 0 JJADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754436 720883046 /nfs/dbraw/zinc/88/30/46/720883046.db2.gz IWBTZJRZVZZSHZ-WXVAWEFUSA-N 1 0 478.040 4.742 20 0 JJADRO Fc1cc2nc(Cl)c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2cc1F ZINC001164757824 720884724 /nfs/dbraw/zinc/88/47/24/720884724.db2.gz VTSRABNHPMKMGM-NIYFSFCBSA-N 1 0 499.993 4.712 20 0 JJADRO Fc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758791 720886220 /nfs/dbraw/zinc/88/62/20/720886220.db2.gz ZMMBKYORSBJLKI-IBVKSMDESA-N 1 0 482.003 4.572 20 0 JJADRO Fc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1Cl ZINC001164756826 720886872 /nfs/dbraw/zinc/88/68/72/720886872.db2.gz RFGNJTZADZSSRI-REWPJTCUSA-N 1 0 480.962 4.569 20 0 JJADRO Cc1sc2nc(C)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164750611 720888483 /nfs/dbraw/zinc/88/84/83/720888483.db2.gz BKIDDVRHBKPYBB-YIXXDRMTSA-N 1 0 477.678 4.767 20 0 JJADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757204 720890327 /nfs/dbraw/zinc/89/03/27/720890327.db2.gz UIUTWJIVLVYXIM-URXFXBBRSA-N 1 0 476.999 4.738 20 0 JJADRO Clc1cccc(-c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)n1 ZINC001164749852 720890514 /nfs/dbraw/zinc/89/05/14/720890514.db2.gz ASXZXZNKQRHKQZ-LXFBAYGMSA-N 1 0 490.051 4.947 20 0 JJADRO Cc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164755030 720892408 /nfs/dbraw/zinc/89/24/08/720892408.db2.gz KJOGDUGLVIAXCI-ZJSXRUAMSA-N 1 0 476.999 4.738 20 0 JJADRO Cc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164755026 720892774 /nfs/dbraw/zinc/89/27/74/720892774.db2.gz KJOGDUGLVIAXCI-URXFXBBRSA-N 1 0 476.999 4.738 20 0 JJADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164749809 720895299 /nfs/dbraw/zinc/89/52/99/720895299.db2.gz AQRAJWDUGYPLKT-ZJSXRUAMSA-N 1 0 476.999 4.738 20 0 JJADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752555 720896638 /nfs/dbraw/zinc/89/66/38/720896638.db2.gz FDARFBKCNOQUPD-XUZZJYLKSA-N 1 0 476.999 4.738 20 0 JJADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752551 720896871 /nfs/dbraw/zinc/89/68/71/720896871.db2.gz FDARFBKCNOQUPD-QPPBQGQZSA-N 1 0 476.999 4.738 20 0 JJADRO Cc1cccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755642 720899297 /nfs/dbraw/zinc/89/92/97/720899297.db2.gz MHDJPBIWBUYEJJ-WXVAWEFUSA-N 1 0 478.040 4.742 20 0 JJADRO CC(C)(C)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755423 720903500 /nfs/dbraw/zinc/90/35/00/720903500.db2.gz MATNVNZNQGWEPT-HFZDXXHNSA-N 1 0 470.061 4.578 20 0 JJADRO CC(C)(C)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755425 720904188 /nfs/dbraw/zinc/90/41/88/720904188.db2.gz MATNVNZNQGWEPT-QFQXNSOFSA-N 1 0 470.061 4.578 20 0 JJADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751539 720906017 /nfs/dbraw/zinc/90/60/17/720906017.db2.gz MRQONGGIIRIPFI-CUNXSJBXSA-N 1 0 495.071 4.816 20 0 JJADRO CSc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754236 720906029 /nfs/dbraw/zinc/90/60/29/720906029.db2.gz VBCSCGVSQSSGGY-GBXCKJPGSA-N 1 0 459.059 4.607 20 0 JJADRO Cc1c[nH]c2nc(Cl)cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754664 720906743 /nfs/dbraw/zinc/90/67/43/720906743.db2.gz WWCJPVUVIFFCKJ-LVXARBLLSA-N 1 0 466.029 4.675 20 0 JJADRO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164746519 720908239 /nfs/dbraw/zinc/90/82/39/720908239.db2.gz BGZAYQOTFREOFB-UHSQPCAPSA-N 1 0 469.633 4.602 20 0 JJADRO c1ccc(COc2cccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1 ZINC001164752920 720908302 /nfs/dbraw/zinc/90/83/02/720908302.db2.gz PKCYUOLOBQFUOT-OFSOJUDTSA-N 1 0 484.644 4.811 20 0 JJADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164749132 720916319 /nfs/dbraw/zinc/91/63/19/720916319.db2.gz HWVLUGKFZHARLR-VIZCGCQYSA-N 1 0 483.660 4.911 20 0 JJADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2cccs2)n1 ZINC001164748561 720921539 /nfs/dbraw/zinc/92/15/39/720921539.db2.gz GYCRJHMCLHUHRV-HOFKKMOUSA-N 1 0 475.662 4.664 20 0 JJADRO Fc1cccc(F)c1-c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164753751 720921662 /nfs/dbraw/zinc/92/16/62/720921662.db2.gz SMMNCTFIPBUMJA-DFHRPNOPSA-N 1 0 491.586 4.572 20 0 JJADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755169 720933494 /nfs/dbraw/zinc/93/34/94/720933494.db2.gz ZHOBSEUNZAJXPT-FUFSCUOVSA-N 1 0 487.623 4.741 20 0 JJADRO Fc1ccc2c(Cl)ncnc2c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754194 720938337 /nfs/dbraw/zinc/93/83/37/720938337.db2.gz UGHQHWDBGFJGDX-RXFWQSSRSA-N 1 0 482.003 4.572 20 0 JJADRO CC(C)(c1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754657 720938634 /nfs/dbraw/zinc/93/86/34/720938634.db2.gz WUDLPVWAPZLKEX-OZXSUGGESA-N 1 0 455.046 4.616 20 0 JJADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749956 720940193 /nfs/dbraw/zinc/94/01/93/720940193.db2.gz IOJJOSJCTNTSEP-PYHHMDQSSA-N 1 0 474.653 4.622 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)[C@@H]2C ZINC001164860639 720957375 /nfs/dbraw/zinc/95/73/75/720957375.db2.gz QPXPWHHSJAYMCC-CYBMUJFWSA-N 1 0 452.912 4.585 20 0 JJADRO Cc1sc2nc(CN3CCCC3)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164862649 721003815 /nfs/dbraw/zinc/00/38/15/721003815.db2.gz UBBLJENOXBJADP-GOSISDBHSA-N 1 0 467.687 4.522 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)[C@@H]2C ZINC001164864174 721005553 /nfs/dbraw/zinc/00/55/53/721005553.db2.gz YRVSRALCNBAQOT-MRXNPFEDSA-N 1 0 460.960 4.960 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)[C@@H]2C ZINC001164861236 721005643 /nfs/dbraw/zinc/00/56/43/721005643.db2.gz PUPPMKVUXLPMAP-CQSZACIVSA-N 1 0 450.921 4.553 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)[C@H]2C ZINC001164858027 721014032 /nfs/dbraw/zinc/01/40/32/721014032.db2.gz FIETWGMYNLVAJS-INIZCTEOSA-N 1 0 460.960 4.960 20 0 JJADRO COc1ccc(-c2cc(C(F)(F)N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c(Cl)nn2)cc1 ZINC001164861729 721022888 /nfs/dbraw/zinc/02/28/88/721022888.db2.gz PHJORZOFHMHDMY-MRXNPFEDSA-N 1 0 490.986 4.968 20 0 JJADRO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1 ZINC001164759993 721044912 /nfs/dbraw/zinc/04/49/12/721044912.db2.gz SVRZKWSIJWOOQO-UHFFFAOYSA-N 1 0 457.018 4.559 20 0 JJADRO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867384 721067327 /nfs/dbraw/zinc/06/73/27/721067327.db2.gz IRIAXSLYVUMIRG-DHIUTWEWSA-N 1 0 489.982 4.964 20 0 JJADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865429 721090332 /nfs/dbraw/zinc/09/03/32/721090332.db2.gz LHAVSQPDGDGGOR-RPBOFIJWSA-N 1 0 499.018 4.734 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@H]3C2)cn1 ZINC001164769461 721097205 /nfs/dbraw/zinc/09/72/05/721097205.db2.gz ORECQLRQYWQGEV-LEWJYISDSA-N 1 0 457.956 4.639 20 0 JJADRO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867232 721119504 /nfs/dbraw/zinc/11/95/04/721119504.db2.gz XEMDSIKANXKKJX-UXHICEINSA-N 1 0 478.021 4.886 20 0 JJADRO c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)CC[N@@H+]3C2)c1 ZINC001164870316 721137863 /nfs/dbraw/zinc/13/78/63/721137863.db2.gz CMJSOEXTSWGZCW-YADHBBJMSA-N 1 0 498.656 4.507 20 0 JJADRO c1cncc(CO[C@@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)CC[N@@H+]3C2)c1 ZINC001164870309 721138398 /nfs/dbraw/zinc/13/83/98/721138398.db2.gz CMJSOEXTSWGZCW-FCHUYYIVSA-N 1 0 498.656 4.507 20 0 JJADRO Clc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164878599 721139548 /nfs/dbraw/zinc/13/95/48/721139548.db2.gz QOMRZIMFQIYSEN-DHIUTWEWSA-N 1 0 471.992 4.825 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164874540 721144070 /nfs/dbraw/zinc/14/40/70/721144070.db2.gz KNLWMCRZMSGKCL-RTBURBONSA-N 1 0 463.632 4.603 20 0 JJADRO Cc1sc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164876493 721145637 /nfs/dbraw/zinc/14/56/37/721145637.db2.gz MTPFKEVCVDNIOP-FCHUYYIVSA-N 1 0 457.603 4.541 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@@H]3C2)cn1 ZINC001164769077 721155995 /nfs/dbraw/zinc/15/59/95/721155995.db2.gz PHYMBTHHVFFANH-RPBOFIJWSA-N 1 0 453.590 4.506 20 0 JJADRO c1ccc(-c2ccc(-c3ccc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164876365 721162241 /nfs/dbraw/zinc/16/22/41/721162241.db2.gz LVUDVJZOHIXLLY-KAYWLYCHSA-N 1 0 463.585 4.685 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@@H]3C2)cn1 ZINC001164774413 721179107 /nfs/dbraw/zinc/17/91/07/721179107.db2.gz YZXVLQWLHGPQFB-GOTSBHOMSA-N 1 0 494.039 4.529 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871400 721194744 /nfs/dbraw/zinc/19/47/44/721194744.db2.gz YXLYTYLUZWOWAW-MOPGFXCFSA-N 1 0 476.980 4.883 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@H]3C2)cn1 ZINC001164766986 721194968 /nfs/dbraw/zinc/19/49/68/721194968.db2.gz JVAORFUKCNFCHA-RBUKOAKNSA-N 1 0 465.026 4.704 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@H]3C2)cn1 ZINC001164764232 721216305 /nfs/dbraw/zinc/21/63/05/721216305.db2.gz GPBDANDZMMXRAY-FGZHOGPDSA-N 1 0 456.619 4.564 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@@H]3C2)cn1 ZINC001164764918 721224522 /nfs/dbraw/zinc/22/45/22/721224522.db2.gz HCELJHFAKCEHGK-ROUUACIJSA-N 1 0 475.946 4.778 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164875835 721260031 /nfs/dbraw/zinc/26/00/31/721260031.db2.gz MKRIWIWWHWFPFB-WWPJHQMMSA-N 1 0 476.665 4.967 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164777702 721327386 /nfs/dbraw/zinc/32/73/86/721327386.db2.gz PJHAURXSJIDONU-GGAORHGYSA-N 1 0 454.590 4.760 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1 ZINC001164874697 721329772 /nfs/dbraw/zinc/32/97/72/721329772.db2.gz HVARQOMZPUGJPO-QFIPXVFZSA-N 1 0 453.656 4.608 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4ccc(F)cc43)C2)C1 ZINC001164778632 721342548 /nfs/dbraw/zinc/34/25/48/721342548.db2.gz NLFUCBQVAHCJGD-XMMPIXPASA-N 1 0 458.965 4.751 20 0 JJADRO COc1ccc2c(c1)nc(Cl)cc2N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778811 721349501 /nfs/dbraw/zinc/34/95/01/721349501.db2.gz OTHVOQKFGSDMGM-VWLOTQADSA-N 1 0 471.001 4.621 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4cc(C)ccc43)C2)C1 ZINC001164782245 721355050 /nfs/dbraw/zinc/35/50/50/721355050.db2.gz LODPPPRVDXXKEM-RUZDIDTESA-N 1 0 455.002 4.920 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(C)ccc(F)c4cc3C)C2)C1 ZINC001164782939 721357144 /nfs/dbraw/zinc/35/71/44/721357144.db2.gz NWKLEGLGSWFIDL-AREMUKBSSA-N 1 0 452.574 4.715 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C4CCCCC4)nc(C)n3)C2)C1 ZINC001164781606 721363712 /nfs/dbraw/zinc/36/37/12/721363712.db2.gz KBYYXASPIYEQPC-AREMUKBSSA-N 1 0 453.631 4.557 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C2)C1 ZINC001164786056 721372208 /nfs/dbraw/zinc/37/22/08/721372208.db2.gz VFDRMMQZLLQNTC-XMMPIXPASA-N 1 0 491.970 4.945 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C3)O2)CC1 ZINC001164887682 721404739 /nfs/dbraw/zinc/40/47/39/721404739.db2.gz MEYSSLWXWJUMNR-FDDCHVKYSA-N 1 0 499.433 4.852 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890925 721408873 /nfs/dbraw/zinc/40/88/73/721408873.db2.gz UILZIDJKTXSIRE-YZNIXAGQSA-N 1 0 483.660 4.576 20 0 JJADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164786503 721418682 /nfs/dbraw/zinc/41/86/82/721418682.db2.gz PBOCHMJJYNKDEP-HZPDHXFCSA-N 1 0 487.000 4.743 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893732 721425120 /nfs/dbraw/zinc/42/51/20/721425120.db2.gz KDWFFYNPHVSOCJ-FNZWTVRRSA-N 1 0 498.096 4.777 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c3ccccc32)cc1C ZINC001164890250 721434315 /nfs/dbraw/zinc/43/43/15/721434315.db2.gz CSMJMXNTEQUHPQ-RNAHPLFWSA-N 1 0 485.676 4.679 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@H]3COCc3csc(C)n3)C2)nc1 ZINC001164787507 721445302 /nfs/dbraw/zinc/44/53/02/721445302.db2.gz XHJJPQDSKHWYCZ-GGBSJPMNSA-N 1 0 470.683 4.986 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164790302 721451658 /nfs/dbraw/zinc/45/16/58/721451658.db2.gz XYMONVAZPUWCGV-QGZVFWFLSA-N 1 0 478.411 4.667 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C3)O2)CC1 ZINC001164889832 721453069 /nfs/dbraw/zinc/45/30/69/721453069.db2.gz PNVHNNDNDDFDCD-WMZHIEFXSA-N 1 0 497.055 4.774 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164790562 721455308 /nfs/dbraw/zinc/45/53/08/721455308.db2.gz ZICCTEWEIQTDBG-NRFANRHFSA-N 1 0 462.009 4.761 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164782715 721458806 /nfs/dbraw/zinc/45/88/06/721458806.db2.gz BDBPKUIUTVKXTH-GOSISDBHSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)CC2 ZINC001164791284 721470545 /nfs/dbraw/zinc/47/05/45/721470545.db2.gz WJWJKSRBYHJMAA-LJQANCHMSA-N 1 0 495.014 4.955 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164790039 721470856 /nfs/dbraw/zinc/47/08/56/721470856.db2.gz QEKAMMZJWYTWIF-DEOSSOPVSA-N 1 0 482.694 4.503 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)CC2 ZINC001164786504 721474671 /nfs/dbraw/zinc/47/46/71/721474671.db2.gz BNRMIKKIBXZHDU-FQEVSTJZSA-N 1 0 492.035 4.770 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1Cl ZINC001164793006 721492860 /nfs/dbraw/zinc/49/28/60/721492860.db2.gz YOQJDSNTBLYOFV-UHFFFAOYSA-N 1 0 463.409 4.841 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164809571 721546741 /nfs/dbraw/zinc/54/67/41/721546741.db2.gz VLHDCFCTQTWYRL-NXCFDTQHSA-N 1 0 451.574 4.560 20 0 JJADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[N@@H+]3C2)c1 ZINC001164906580 721553438 /nfs/dbraw/zinc/55/34/38/721553438.db2.gz KDFXYNJRRHPSJX-HKUYNNGSSA-N 1 0 458.896 4.542 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164799359 721579723 /nfs/dbraw/zinc/57/97/23/721579723.db2.gz AZDFUEPYWXJBGJ-SMIHKQSGSA-N 1 0 457.603 4.622 20 0 JJADRO FC1(F)CCN(c2ccc(-c3ccc(Cl)cc3)nn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904090 721587078 /nfs/dbraw/zinc/58/70/78/721587078.db2.gz CVQWJFNFEDNNTP-HSZRJFAPSA-N 1 0 455.940 4.930 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)nc1 ZINC001165009278 721692334 /nfs/dbraw/zinc/69/23/34/721692334.db2.gz OIYYWOYQCCMYCC-VGSCBBJJSA-N 1 0 477.653 4.816 20 0 JJADRO Fc1cc2nc(Cl)c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2cc1F ZINC001164907481 721699019 /nfs/dbraw/zinc/69/90/19/721699019.db2.gz UERXQCCKKPZUHS-NRFANRHFSA-N 1 0 465.882 4.694 20 0 JJADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903727 721699039 /nfs/dbraw/zinc/69/90/39/721699039.db2.gz BXSIMEMTSBIXQJ-XMMPIXPASA-N 1 0 499.587 4.515 20 0 JJADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903725 721699416 /nfs/dbraw/zinc/69/94/16/721699416.db2.gz BXSIMEMTSBIXQJ-DEOSSOPVSA-N 1 0 499.587 4.515 20 0 JJADRO CCOC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccccc21 ZINC001164904074 721702394 /nfs/dbraw/zinc/70/23/94/721702394.db2.gz CVPKOZCKXFSWOR-RUZDIDTESA-N 1 0 466.532 4.544 20 0 JJADRO CCc1nc2sc3c(c2c(N2CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907757 721722582 /nfs/dbraw/zinc/72/25/82/721722582.db2.gz TZSCZLNJFVRIPO-DEOSSOPVSA-N 1 0 469.605 4.875 20 0 JJADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912719 721726057 /nfs/dbraw/zinc/72/60/57/721726057.db2.gz PSECBBDFSFLFCV-FQEVSTJZSA-N 1 0 469.914 4.685 20 0 JJADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912722 721726258 /nfs/dbraw/zinc/72/62/58/721726258.db2.gz PSECBBDFSFLFCV-HXUWFJFHSA-N 1 0 469.914 4.685 20 0 JJADRO Fc1ccc(COc2cccnc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164913848 721728454 /nfs/dbraw/zinc/72/84/54/721728454.db2.gz YXZMPJUHROXKOR-RUZDIDTESA-N 1 0 468.523 4.932 20 0 JJADRO Fc1ccc(COc2cccnc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164913849 721728921 /nfs/dbraw/zinc/72/89/21/721728921.db2.gz YXZMPJUHROXKOR-VWLOTQADSA-N 1 0 468.523 4.932 20 0 JJADRO CCN(c1ccccc1)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164910586 721731657 /nfs/dbraw/zinc/73/16/57/721731657.db2.gz GNLDJRCUENHGCQ-VWLOTQADSA-N 1 0 464.564 4.767 20 0 JJADRO Fc1ccc2nc(C(F)F)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913535 721733147 /nfs/dbraw/zinc/73/31/47/721733147.db2.gz WWUICJDMGAOQIB-JOCHJYFZSA-N 1 0 463.454 4.839 20 0 JJADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913097 721736313 /nfs/dbraw/zinc/73/63/13/721736313.db2.gz SNNOIWZXHHHVID-GOSISDBHSA-N 1 0 479.305 4.946 20 0 JJADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(C3CC3)nc3scc(-c4ccccc4)c32)CC1 ZINC001165013334 721746719 /nfs/dbraw/zinc/74/67/19/721746719.db2.gz YNMJCPGJJMWESE-UHFFFAOYSA-N 1 0 475.662 4.759 20 0 JJADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c1 ZINC001165015987 721767356 /nfs/dbraw/zinc/76/73/56/721767356.db2.gz UVOBMYOUZQUGEG-UHFFFAOYSA-N 1 0 458.852 4.578 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@H]21 ZINC001165019791 721810018 /nfs/dbraw/zinc/81/00/18/721810018.db2.gz BUWQWCUYXYCXDO-ZWDAVXSWSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@H]21 ZINC001165019785 721810021 /nfs/dbraw/zinc/81/00/21/721810021.db2.gz BUWQWCUYXYCXDO-DKZVUGQWSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165030554 721820694 /nfs/dbraw/zinc/82/06/94/721820694.db2.gz ZTSWBXLACAFKEK-USXIJHARSA-N 1 0 456.368 4.546 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C[C@@H]21 ZINC001165030147 721821147 /nfs/dbraw/zinc/82/11/47/721821147.db2.gz YBKUSONOENEDNK-AYRHNUGRSA-N 1 0 465.601 4.857 20 0 JJADRO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165025126 721822033 /nfs/dbraw/zinc/82/20/33/721822033.db2.gz LTYSAGWXNUFFNO-AVCGJXAMSA-N 1 0 480.012 4.592 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@H]21 ZINC001165030142 721822674 /nfs/dbraw/zinc/82/26/74/721822674.db2.gz YBECQEFYVHOVNL-CEWLAPEOSA-N 1 0 484.982 4.869 20 0 JJADRO Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)o2)cc1 ZINC001165023185 721824945 /nfs/dbraw/zinc/82/49/45/721824945.db2.gz IGRTVSWSVYDKLS-PMVMPFDFSA-N 1 0 454.578 4.725 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)C[C@@H]21 ZINC001165019829 721825774 /nfs/dbraw/zinc/82/57/74/721825774.db2.gz CGDJNRRBXWUJSK-DMTNHVFBSA-N 1 0 456.590 4.571 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@@H]21 ZINC001165030134 721827765 /nfs/dbraw/zinc/82/77/65/721827765.db2.gz XXIUMJTWFAROEX-BAGYTPMASA-N 1 0 472.618 4.992 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)nc4sccc43)C[C@H]21 ZINC001165027081 721828928 /nfs/dbraw/zinc/82/89/28/721828928.db2.gz RUGCMWYNVGFDJB-UEVCKROQSA-N 1 0 456.619 4.885 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@H]21 ZINC001165028862 721830148 /nfs/dbraw/zinc/83/01/48/721830148.db2.gz VTDARJAEOLRYCU-TUACAJSNSA-N 1 0 464.013 4.841 20 0 JJADRO CC(C)(C)C(=O)Oc1cc2ncnc(N3CC[NH+](C4CCCC4)CC3)c2cc1OC(=O)C(C)(C)C ZINC001165031621 721858927 /nfs/dbraw/zinc/85/89/27/721858927.db2.gz DYQUBMOAERXDDE-UHFFFAOYSA-N 1 0 482.625 4.597 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932637 721880158 /nfs/dbraw/zinc/88/01/58/721880158.db2.gz JUQDQFSEHZHSPV-SFTDATJTSA-N 1 0 496.750 4.620 20 0 JJADRO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1-c1ccccc1 ZINC001164934659 721880303 /nfs/dbraw/zinc/88/03/03/721880303.db2.gz SVZOLCMGDNUVAD-DHIUTWEWSA-N 1 0 484.673 4.943 20 0 JJADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164939074 721930752 /nfs/dbraw/zinc/93/07/52/721930752.db2.gz IFOMQDOSIIAZRB-UHFFFAOYSA-N 1 0 495.023 4.640 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)CC3)C2)cc1 ZINC001164943996 721933116 /nfs/dbraw/zinc/93/31/16/721933116.db2.gz QOURIZUELYNCAO-UHFFFAOYSA-N 1 0 494.970 4.552 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C(F)F)nc5ccc(F)cc54)CC3)C2)cc1 ZINC001164940216 721933164 /nfs/dbraw/zinc/93/31/64/721933164.db2.gz SLECPNDYUVPNPR-UHFFFAOYSA-N 1 0 456.512 4.886 20 0 JJADRO CC[NH+](CC)C1CCN([C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)CC1 ZINC001165052866 722003854 /nfs/dbraw/zinc/00/38/54/722003854.db2.gz FVNGIJIAUCHHII-HSZRJFAPSA-N 1 0 466.432 4.728 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ccc(=O)n(Cc4csc(C)n4)c3CC2)nc1 ZINC001164949956 722007293 /nfs/dbraw/zinc/00/72/93/722007293.db2.gz AUKHBWJYMVYNJT-DEOSSOPVSA-N 1 0 477.678 4.599 20 0 JJADRO COc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164961244 722024391 /nfs/dbraw/zinc/02/43/91/722024391.db2.gz MHCAOCWSBZTAED-UHFFFAOYSA-N 1 0 465.985 4.818 20 0 JJADRO Fc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164964736 722024578 /nfs/dbraw/zinc/02/45/78/722024578.db2.gz YCWVABFGUMKTJH-UHFFFAOYSA-N 1 0 453.949 4.949 20 0 JJADRO Cc1nc2sc3c(c2c(N2CCC4(CC2)COCC[N@H+](Cc2ccncc2)C4)n1)CCCCC3 ZINC001164963355 722059704 /nfs/dbraw/zinc/05/97/04/722059704.db2.gz XGZUXWDRRKEWED-UHFFFAOYSA-N 1 0 477.678 4.783 20 0 JJADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961739 722059753 /nfs/dbraw/zinc/05/97/53/722059753.db2.gz OSEJWYIYPNYJFI-HSZRJFAPSA-N 1 0 486.664 4.523 20 0 JJADRO Fc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164960033 722059942 /nfs/dbraw/zinc/05/99/42/722059942.db2.gz DUHQIENHCUSBTK-UHFFFAOYSA-N 1 0 483.975 4.575 20 0 JJADRO c1ccc(CSc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2)cc1 ZINC001164960014 722060504 /nfs/dbraw/zinc/06/05/04/722060504.db2.gz CRWAUWKAMBOPTG-UHFFFAOYSA-N 1 0 460.647 4.888 20 0 JJADRO Cc1nc(-c2ccccc2Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C ZINC001164959949 722061107 /nfs/dbraw/zinc/06/11/07/722061107.db2.gz ACTMUERXXPJATK-UHFFFAOYSA-N 1 0 478.040 4.928 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962186 722061301 /nfs/dbraw/zinc/06/13/01/722061301.db2.gz PLEWEAJDQXFPFB-UHFFFAOYSA-N 1 0 499.993 4.856 20 0 JJADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966017 722061943 /nfs/dbraw/zinc/06/19/43/722061943.db2.gz NHVSFRRYEXUIHJ-UHFFFAOYSA-N 1 0 480.012 4.745 20 0 JJADRO c1c(-c2ccccc2)sc2nc(-c3cccnc3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164967218 722075710 /nfs/dbraw/zinc/07/57/10/722075710.db2.gz OFHQZFDZYNEGTA-SZPZYZBQSA-N 1 0 469.614 4.720 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1Cl ZINC001164979205 722108164 /nfs/dbraw/zinc/10/81/64/722108164.db2.gz PNNUDXAVSNBRKQ-UONOGXRCSA-N 1 0 462.208 4.818 20 0 JJADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981488 722121991 /nfs/dbraw/zinc/12/19/91/722121991.db2.gz UFNUOLKORDNEOJ-UZLBHIALSA-N 1 0 494.373 4.604 20 0 JJADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973192 722123853 /nfs/dbraw/zinc/12/38/53/722123853.db2.gz GWCOSTLKSQNVOC-OXJNMPFZSA-N 1 0 494.373 4.604 20 0 JJADRO c1ccc(COc2ccc3nc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3c2)cc1 ZINC001164983210 722126473 /nfs/dbraw/zinc/12/64/73/722126473.db2.gz YMDBCYIVRGEEHH-UHSQPCAPSA-N 1 0 480.612 4.936 20 0 JJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973423 722138269 /nfs/dbraw/zinc/13/82/69/722138269.db2.gz CDQAKWSADZUXQM-WMLDXEAASA-N 1 0 477.770 4.709 20 0 JJADRO Fc1ccc(-c2nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1F ZINC001164980269 722140313 /nfs/dbraw/zinc/14/03/13/722140313.db2.gz MJLXAUFQQAJQHH-LVXARBLLSA-N 1 0 487.554 4.697 20 0 JJADRO c1ccc(-c2ccc(-c3ccc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)nn3)cc2)cc1 ZINC001164978114 722148165 /nfs/dbraw/zinc/14/81/65/722148165.db2.gz JZJLZSSKCGMBHN-PXJZQJOASA-N 1 0 477.612 4.933 20 0 JJADRO CC(=O)N1CC2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)c2cc(C)ccc21 ZINC001164992097 722189468 /nfs/dbraw/zinc/18/94/68/722189468.db2.gz VNUONTQWLCMWAO-UHFFFAOYSA-N 1 0 466.629 4.853 20 0 JJADRO O=C(c1cc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1)N1CCCCC1 ZINC001164993864 722195948 /nfs/dbraw/zinc/19/59/48/722195948.db2.gz IFLNQEVRXIVCOM-VWLOTQADSA-N 1 0 456.993 4.745 20 0 JJADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164994013 722208325 /nfs/dbraw/zinc/20/83/25/722208325.db2.gz CPUCTWDZABZLHQ-HHHXNRCGSA-N 1 0 495.668 4.524 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccc(Cl)cc3)nc3ccccc31)CCC2 ZINC001165002253 722253346 /nfs/dbraw/zinc/25/33/46/722253346.db2.gz MIKSSODIYDTFSM-UHFFFAOYSA-N 1 0 477.012 4.635 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](OCc4csc(C)n4)CO3)CC2)nc1 ZINC001165009036 722273232 /nfs/dbraw/zinc/27/32/32/722273232.db2.gz NIXCOXRSQSEIDU-DHIUTWEWSA-N 1 0 456.656 4.738 20 0 JJADRO CC(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001359712077 1064260328 /nfs/dbraw/zinc/26/03/28/1064260328.db2.gz FBGMWPRXYDNJSM-UHFFFAOYSA-N 1 0 451.537 4.803 20 0 JJADRO CC(C)c1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001359715781 1064264746 /nfs/dbraw/zinc/26/47/46/1064264746.db2.gz LHVOQEYTARDAGO-INIZCTEOSA-N 1 0 484.998 4.883 20 0 JJADRO CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1ccsc1Br ZINC001359719047 1064266111 /nfs/dbraw/zinc/26/61/11/1064266111.db2.gz AGWJBSAQCZLNKU-QGZVFWFLSA-N 1 0 474.472 4.985 20 0 JJADRO CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1Cc1ccsc1Br ZINC001359719046 1064266256 /nfs/dbraw/zinc/26/62/56/1064266256.db2.gz AGWJBSAQCZLNKU-KRWDZBQOSA-N 1 0 474.472 4.985 20 0 JJADRO CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1nc(C(C)(C)C)cs1 ZINC001359719696 1064267388 /nfs/dbraw/zinc/26/73/88/1064267388.db2.gz UMAPCSMOMILOFI-LJQANCHMSA-N 1 0 452.672 4.915 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001545859533 1064268020 /nfs/dbraw/zinc/26/80/20/1064268020.db2.gz OLKRMDMNRZLMLU-QTJGBDASSA-N 1 0 466.674 4.658 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001545859534 1064268150 /nfs/dbraw/zinc/26/81/50/1064268150.db2.gz OLKRMDMNRZLMLU-XWGVYQGASA-N 1 0 466.674 4.658 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001359720242 1064268219 /nfs/dbraw/zinc/26/82/19/1064268219.db2.gz LTPJVGVWYQGZJQ-UHFFFAOYSA-N 1 0 468.477 4.774 20 0 JJADRO CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359723671 1064271452 /nfs/dbraw/zinc/27/14/52/1064271452.db2.gz WPYIBYYMIQLINK-GOTSBHOMSA-N 1 0 461.601 4.768 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001545865472 1064273003 /nfs/dbraw/zinc/27/30/03/1064273003.db2.gz CHXMIICVXHXCAN-HSZRJFAPSA-N 1 0 494.728 4.795 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545865408 1064273185 /nfs/dbraw/zinc/27/31/85/1064273185.db2.gz AKQJEYSWOBMCOV-UFHPHHKVSA-N 1 0 480.701 4.660 20 0 JJADRO CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001359726961 1064273691 /nfs/dbraw/zinc/27/36/91/1064273691.db2.gz BNNCSXMQNOOYAE-ZVDOUQERSA-N 1 0 488.702 4.650 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001545865856 1064274966 /nfs/dbraw/zinc/27/49/66/1064274966.db2.gz NSSITRCMWFTSHA-NRFANRHFSA-N 1 0 494.728 4.906 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001545867434 1064276819 /nfs/dbraw/zinc/27/68/19/1064276819.db2.gz BPYGJFORNGLDGH-FGZHOGPDSA-N 1 0 472.722 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001545868087 1064278606 /nfs/dbraw/zinc/27/86/06/1064278606.db2.gz LRCFJKDSUUZMMQ-AUSIDOKSSA-N 1 0 484.664 4.655 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001545868234 1064278829 /nfs/dbraw/zinc/27/88/29/1064278829.db2.gz NLDPCTQTBJKPOE-XMMPIXPASA-N 1 0 466.674 4.578 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001545868448 1064279400 /nfs/dbraw/zinc/27/94/00/1064279400.db2.gz QNIZPKJOJXAOCY-WOJBJXKFSA-N 1 0 486.730 4.653 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCSCC2)C1 ZINC001359730387 1064281574 /nfs/dbraw/zinc/28/15/74/1064281574.db2.gz UEBNVBOWFKVDTK-QGZVFWFLSA-N 1 0 452.043 4.659 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001545870188 1064282708 /nfs/dbraw/zinc/28/27/08/1064282708.db2.gz IMTREFGGNQMBAQ-RUZDIDTESA-N 1 0 480.701 4.845 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545870217 1064282825 /nfs/dbraw/zinc/28/28/25/1064282825.db2.gz IXHYMZVWAOIYJJ-ACRUOGEOSA-N 1 0 484.689 4.540 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001359732324 1064286452 /nfs/dbraw/zinc/28/64/52/1064286452.db2.gz BTOSFXZEWCKOBQ-NRFANRHFSA-N 1 0 486.730 4.797 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001359732783 1064286946 /nfs/dbraw/zinc/28/69/46/1064286946.db2.gz KPBKNFPBCWELOX-HXUWFJFHSA-N 1 0 490.490 4.978 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359733399 1064290564 /nfs/dbraw/zinc/29/05/64/1064290564.db2.gz XXYSDQVKODLFPO-QFIPXVFZSA-N 1 0 487.092 4.608 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCCCC1 ZINC001359734223 1064293088 /nfs/dbraw/zinc/29/30/88/1064293088.db2.gz OPQGFIGUPPGMTG-LJQANCHMSA-N 1 0 463.468 4.925 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCCC1 ZINC001359734580 1064294496 /nfs/dbraw/zinc/29/44/96/1064294496.db2.gz XKEWARNHLHDBMK-IBGZPJMESA-N 1 0 450.400 4.567 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001545879173 1064294890 /nfs/dbraw/zinc/29/48/90/1064294890.db2.gz NVXNANSSVMWHQN-FQEVSTJZSA-N 1 0 484.664 4.594 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC001545880300 1064296215 /nfs/dbraw/zinc/29/62/15/1064296215.db2.gz WOAGXPFOQKZHRO-GCJKJVERSA-N 1 0 459.428 4.846 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC001545880302 1064296444 /nfs/dbraw/zinc/29/64/44/1064296444.db2.gz WOAGXPFOQKZHRO-XMSQKQJNSA-N 1 0 459.428 4.846 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC001545880299 1064296488 /nfs/dbraw/zinc/29/64/88/1064296488.db2.gz WOAGXPFOQKZHRO-AVRDEDQJSA-N 1 0 459.428 4.846 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(Cc2ccsc2)n1Cc1ccccc1OCC[NH+](C)C ZINC001359736492 1064297297 /nfs/dbraw/zinc/29/72/97/1064297297.db2.gz DZXFHFKVALCXJN-JOCHJYFZSA-N 1 0 453.656 4.544 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001359739512 1064307648 /nfs/dbraw/zinc/30/76/48/1064307648.db2.gz VWHYIOOOQAWXTM-UGKGYDQZSA-N 1 0 485.474 4.831 20 0 JJADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cnn(Cc2ccccc2)c1Br ZINC001434871759 1064307628 /nfs/dbraw/zinc/30/76/28/1064307628.db2.gz CXKFMWIOZDZEHF-UHFFFAOYSA-N 1 0 453.384 4.585 20 0 JJADRO CC(C)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CC=CCC2)CC1 ZINC001359739978 1064308920 /nfs/dbraw/zinc/30/89/20/1064308920.db2.gz JOQDXRLRWXQRQW-UHFFFAOYSA-N 1 0 476.438 4.981 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001359740490 1064309517 /nfs/dbraw/zinc/30/95/17/1064309517.db2.gz XGCUEBQTMWTHAW-VGSWGCGISA-N 1 0 478.504 4.627 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001359740294 1064309582 /nfs/dbraw/zinc/30/95/82/1064309582.db2.gz RICUSCSZOHQAKX-JOCHJYFZSA-N 1 0 453.034 4.998 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cnn(-c4cccc(C)c4)c3C)cc2Cl)CC1 ZINC001434879816 1064312464 /nfs/dbraw/zinc/31/24/64/1064312464.db2.gz AZWRJKYIQOHZGT-UHFFFAOYSA-N 1 0 452.002 4.927 20 0 JJADRO CC(C)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001359743633 1064313874 /nfs/dbraw/zinc/31/38/74/1064313874.db2.gz OPTZGDXTKJRMDU-QFIPXVFZSA-N 1 0 457.569 4.915 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3nc(C)ccc3Br)cc2Cl)CC1 ZINC001434882302 1064315365 /nfs/dbraw/zinc/31/53/65/1064315365.db2.gz PKGVEBFRLOITPW-UHFFFAOYSA-N 1 0 451.796 4.590 20 0 JJADRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883982 1064315975 /nfs/dbraw/zinc/31/59/75/1064315975.db2.gz QCUPZDUPGWFAEG-YLJYHZDGSA-N 1 0 453.384 4.509 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)CCS1 ZINC001359746800 1064325001 /nfs/dbraw/zinc/32/50/01/1064325001.db2.gz NKPNSERRRPMAAB-LJQANCHMSA-N 1 0 495.535 4.736 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001359746657 1064325354 /nfs/dbraw/zinc/32/53/54/1064325354.db2.gz KUZGIHUBDXCZKV-NRFANRHFSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](C)[NH+](C)C)CCS1 ZINC001359747608 1064329834 /nfs/dbraw/zinc/32/98/34/1064329834.db2.gz FJDKZQKNAFUZDE-CVDCTZTESA-N 1 0 469.655 4.645 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)[N@H+](C)C2CC2)CCS1 ZINC001359747768 1064330195 /nfs/dbraw/zinc/33/01/95/1064330195.db2.gz IALWZRQDLINLAY-MGPUTAFESA-N 1 0 496.494 4.907 20 0 JJADRO Cc1ccc(NC(=O)CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c(Cl)c1 ZINC001434902954 1064330356 /nfs/dbraw/zinc/33/03/56/1064330356.db2.gz YDVSCDPPRKRXQH-QDPGVEIFSA-N 1 0 476.020 4.793 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC001359747912 1064331453 /nfs/dbraw/zinc/33/14/53/1064331453.db2.gz KXYMLWFAFPMAHE-GCJKJVERSA-N 1 0 464.029 4.863 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[N@H+](C)C(C)C)CCS1 ZINC001359750554 1064339450 /nfs/dbraw/zinc/33/94/50/1064339450.db2.gz OJSAGKUCPLACCR-QFIPXVFZSA-N 1 0 454.644 4.518 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2coc(-c3ccccc3Cl)n2)CC1 ZINC001434918436 1064345637 /nfs/dbraw/zinc/34/56/37/1064345637.db2.gz FSQSSEFELPPVAH-INIZCTEOSA-N 1 0 456.949 4.767 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC001434920537 1064348181 /nfs/dbraw/zinc/34/81/81/1064348181.db2.gz MJPTVXQYHQJKJQ-OAHLLOKOSA-N 1 0 455.908 4.627 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+](C)C2CCCCC2)CCS1 ZINC001359755445 1064348837 /nfs/dbraw/zinc/34/88/37/1064348837.db2.gz AGXOMINFHYQKRR-HSZRJFAPSA-N 1 0 475.678 4.839 20 0 JJADRO CCCO[C@@H](C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)c1ccc(F)cc1C ZINC001434922547 1064350496 /nfs/dbraw/zinc/35/04/96/1064350496.db2.gz STYKYSZPDORKGE-KBMIEXCESA-N 1 0 459.581 4.760 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)cc2)c1 ZINC001434922588 1064351348 /nfs/dbraw/zinc/35/13/48/1064351348.db2.gz RGQATARQHPBJMK-UHFFFAOYSA-N 1 0 459.615 4.726 20 0 JJADRO CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359756371 1064353444 /nfs/dbraw/zinc/35/34/44/1064353444.db2.gz QGNDNWBYXWYYMZ-RBBKRZOGSA-N 1 0 490.490 4.689 20 0 JJADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C(=O)NCCc1ccccc1 ZINC001434925144 1064353716 /nfs/dbraw/zinc/35/37/16/1064353716.db2.gz PUJTURDPWIOWET-RUZDIDTESA-N 1 0 455.602 4.818 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+](C)C2CCCCC2)CCO1 ZINC001359756421 1064354221 /nfs/dbraw/zinc/35/42/21/1064354221.db2.gz QZSUSWWJQWHZSJ-DEOSSOPVSA-N 1 0 473.637 4.512 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001359756553 1064354656 /nfs/dbraw/zinc/35/46/56/1064354656.db2.gz UNPBLVUTVNLEPW-UHRQBARKSA-N 1 0 483.701 4.578 20 0 JJADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C3(c4cncc(Br)c4)CC3)ccc21 ZINC001434946787 1064367589 /nfs/dbraw/zinc/36/75/89/1064367589.db2.gz PLLFQYITLWSFOM-UHFFFAOYSA-N 1 0 455.400 4.811 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NCC1(c2ccc(Br)cc2)CCOCC1)c1ccccc1 ZINC001434969634 1064385186 /nfs/dbraw/zinc/38/51/86/1064385186.db2.gz VCUTYMJHKZPDAU-QFIPXVFZSA-N 1 0 459.428 4.697 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001359765022 1064385902 /nfs/dbraw/zinc/38/59/02/1064385902.db2.gz OCOIJGXOKKTDFW-MZKRTTBSSA-N 1 0 475.653 4.785 20 0 JJADRO CC(C)CC(=O)Nc1cccc(Cn2c(N3CC[C@H](C[NH+]4CCCCC4)C3)nnc2C(C)(C)C)c1 ZINC001359765009 1064386147 /nfs/dbraw/zinc/38/61/47/1064386147.db2.gz OAPSYOVQBCFNSF-HSZRJFAPSA-N 1 0 480.701 4.921 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1CCSC1)[NH+](C)C ZINC001359765871 1064389547 /nfs/dbraw/zinc/38/95/47/1064389547.db2.gz DJFVZNSEIQSELK-IRXDYDNUSA-N 1 0 484.483 4.765 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001359765903 1064389579 /nfs/dbraw/zinc/38/95/79/1064389579.db2.gz DQSSFPBOJXAWFB-JOCHJYFZSA-N 1 0 470.706 4.570 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCC(C)CC1)[NH+](C)C ZINC001359765925 1064389607 /nfs/dbraw/zinc/38/96/07/1064389607.db2.gz FKRRIAFHOKQDDQ-KITAHSCOSA-N 1 0 455.647 4.708 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1CCSC1)[NH+](C)C ZINC001359765870 1064389643 /nfs/dbraw/zinc/38/96/43/1064389643.db2.gz DJFVZNSEIQSELK-IAGOWNOFSA-N 1 0 484.483 4.765 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cscn1)[NH+](C)C ZINC001359765868 1064389645 /nfs/dbraw/zinc/38/96/45/1064389645.db2.gz DGLGRKITLQCCDX-OAHLLOKOSA-N 1 0 483.505 4.838 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCC(C)CC1)[NH+](C)C ZINC001359765926 1064389658 /nfs/dbraw/zinc/38/96/58/1064389658.db2.gz FKRRIAFHOKQDDQ-VTLFHKLASA-N 1 0 455.647 4.708 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccccn1)[NH+](C)C ZINC001359766036 1064390278 /nfs/dbraw/zinc/39/02/78/1064390278.db2.gz HFIATRNVQWTZNO-LJQANCHMSA-N 1 0 471.447 4.715 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+](C)C ZINC001359766596 1064392608 /nfs/dbraw/zinc/39/26/08/1064392608.db2.gz QCCULBDTWSEKKZ-PXNSSMCTSA-N 1 0 487.014 4.648 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC(C)C)C(C)C)[NH+](C)C ZINC001359766471 1064392639 /nfs/dbraw/zinc/39/26/39/1064392639.db2.gz OGABKZVHULSZAD-GOSISDBHSA-N 1 0 453.473 4.883 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(Oc2ncccc2F)CC1)[NH+](C)C ZINC001359766427 1064392741 /nfs/dbraw/zinc/39/27/41/1064392741.db2.gz NPXCZTWSYLWUCV-NRFANRHFSA-N 1 0 466.605 4.503 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](Oc2ccccn2)C1)[NH+](C)C ZINC001359766606 1064393414 /nfs/dbraw/zinc/39/34/14/1064393414.db2.gz QEKCRFOMAGTPLB-UXHICEINSA-N 1 0 469.033 4.628 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)[NH+](C)C ZINC001359767201 1064396048 /nfs/dbraw/zinc/39/60/48/1064396048.db2.gz CLEVYLKPJDWZEW-PGRDOPGGSA-N 1 0 475.012 4.620 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)[NH+](C)C ZINC001359767048 1064396286 /nfs/dbraw/zinc/39/62/86/1064396286.db2.gz ZNZOWQHCRKJOPQ-SQNIBIBYSA-N 1 0 496.519 4.751 20 0 JJADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434980390 1064397057 /nfs/dbraw/zinc/39/70/57/1064397057.db2.gz RBQTXYVCSLQBEH-HUUCEWRRSA-N 1 0 454.373 4.529 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OC(C)C)CC1)[NH+](C)C ZINC001359767947 1064397092 /nfs/dbraw/zinc/39/70/92/1064397092.db2.gz QOGBZSQSWWCKDA-FQEVSTJZSA-N 1 0 452.647 4.797 20 0 JJADRO C[C@@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434980387 1064397179 /nfs/dbraw/zinc/39/71/79/1064397179.db2.gz RBQTXYVCSLQBEH-CABCVRRESA-N 1 0 454.373 4.529 20 0 JJADRO CCOc1ccccc1-c1cccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC001434981540 1064397976 /nfs/dbraw/zinc/39/79/76/1064397976.db2.gz GOPIVNAUISVIPX-QHCPKHFHSA-N 1 0 457.574 4.702 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001359768666 1064398642 /nfs/dbraw/zinc/39/86/42/1064398642.db2.gz DCISIXKSDVFWRI-QFIPXVFZSA-N 1 0 476.710 4.605 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001359769175 1064399336 /nfs/dbraw/zinc/39/93/36/1064399336.db2.gz LWRAPIHEJDRVJG-NRSPTQNISA-N 1 0 496.469 4.668 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001359771142 1064403697 /nfs/dbraw/zinc/40/36/97/1064403697.db2.gz RCKVKOWXACDYFD-NZQKXSOJSA-N 1 0 489.636 4.763 20 0 JJADRO CC(C)C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(Oc2ncccc2F)CC1)[NH+](C)C ZINC001359771342 1064404371 /nfs/dbraw/zinc/40/43/71/1064404371.db2.gz UWLYDBGCFDCRSP-OAQYLSRUSA-N 1 0 472.653 4.569 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(OC2CCC(C)CC2)CC1)[NH+](C)C ZINC001359771586 1064406097 /nfs/dbraw/zinc/40/60/97/1064406097.db2.gz ZTKOFBURPLLNRQ-KWKWTDQQSA-N 1 0 482.717 4.804 20 0 JJADRO CC(C)C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001359771929 1064406818 /nfs/dbraw/zinc/40/68/18/1064406818.db2.gz GOCWYGMQOMPTPE-JOCHJYFZSA-N 1 0 474.491 4.919 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C)[NH+](C)C ZINC001359772811 1064408939 /nfs/dbraw/zinc/40/89/39/1064408939.db2.gz WQECYRZNCJOZDT-FKBYEOEOSA-N 1 0 476.710 4.951 20 0 JJADRO CC(C)C[C@H](Cn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001359772540 1064409147 /nfs/dbraw/zinc/40/91/47/1064409147.db2.gz RLJPDLBFNJYYTQ-DNRQZRRGSA-N 1 0 475.703 4.698 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC001359772942 1064409875 /nfs/dbraw/zinc/40/98/75/1064409875.db2.gz YTSACNIGNXHGRP-PPGORRQASA-N 1 0 476.710 4.507 20 0 JJADRO CC(C)C[C@H](Cn1c(N2CCc3ccc(Br)cc3C2)nnc1C(C)(C)C)[NH+](C)C ZINC001359772953 1064409951 /nfs/dbraw/zinc/40/99/51/1064409951.db2.gz YZHNLUUXIWONHE-HXUWFJFHSA-N 1 0 462.480 4.877 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359775120 1064417127 /nfs/dbraw/zinc/41/71/27/1064417127.db2.gz IVFUHBTWDSFRPJ-SFTDATJTSA-N 1 0 453.631 4.921 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359775403 1064418067 /nfs/dbraw/zinc/41/80/67/1064418067.db2.gz PAGBWIWRXOBOTG-FGZHOGPDSA-N 1 0 482.673 4.751 20 0 JJADRO CC(C)Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001359776806 1064419657 /nfs/dbraw/zinc/41/96/57/1064419657.db2.gz SWNLBSWKVNCWIC-CBQGHPETSA-N 1 0 488.721 4.718 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359776355 1064419748 /nfs/dbraw/zinc/41/97/48/1064419748.db2.gz IIOAWTFWDCVXFG-UGKGYDQZSA-N 1 0 498.510 4.823 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@@H]1CSCCS1 ZINC001359777496 1064421187 /nfs/dbraw/zinc/42/11/87/1064421187.db2.gz LIVYECBNHCEBLR-YMPZKCBVSA-N 1 0 473.756 4.815 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359779725 1064427006 /nfs/dbraw/zinc/42/70/06/1064427006.db2.gz WIFOGGFFZSKZPD-UHFFFAOYSA-N 1 0 463.095 4.523 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001359781585 1064432443 /nfs/dbraw/zinc/43/24/43/1064432443.db2.gz MWZSMGPGETXMGB-DEOSSOPVSA-N 1 0 461.658 4.691 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359783582 1064435224 /nfs/dbraw/zinc/43/52/24/1064435224.db2.gz DEJKMCSKLACSAM-OAQYLSRUSA-N 1 0 481.714 4.632 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccc(Cl)nc1 ZINC001359783789 1064435973 /nfs/dbraw/zinc/43/59/73/1064435973.db2.gz JUTSLPVIIABJGC-QFIPXVFZSA-N 1 0 453.034 4.532 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359784100 1064436938 /nfs/dbraw/zinc/43/69/38/1064436938.db2.gz RIONPKNHVQDZMK-KLJDGLGGSA-N 1 0 467.702 4.886 20 0 JJADRO CC(C)Cc1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359791864 1064449283 /nfs/dbraw/zinc/44/92/83/1064449283.db2.gz GZBLNQUOZNPONY-ROUUACIJSA-N 1 0 460.464 4.880 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359794391 1064452378 /nfs/dbraw/zinc/45/23/78/1064452378.db2.gz WTWZYTFNMLCACG-WWNPGLIZSA-N 1 0 493.618 4.935 20 0 JJADRO Cn1nc(-c2ccncc2)cc1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001435038515 1064454607 /nfs/dbraw/zinc/45/46/07/1064454607.db2.gz ARGCEAKNTHUSSB-UHFFFAOYSA-N 1 0 453.590 4.666 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359798645 1064462346 /nfs/dbraw/zinc/46/23/46/1064462346.db2.gz MHTYYYANEQQLOS-VXKWHMMOSA-N 1 0 490.737 4.871 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359798559 1064462365 /nfs/dbraw/zinc/46/23/65/1064462365.db2.gz KSKWFUIAVVEBIH-OAHLLOKOSA-N 1 0 457.507 4.774 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359798712 1064463091 /nfs/dbraw/zinc/46/30/91/1064463091.db2.gz NOTQVBXDFZCUFK-OAHLLOKOSA-N 1 0 469.518 4.918 20 0 JJADRO O=C(CCCNC(=O)OCc1ccccc1)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001435048151 1064464398 /nfs/dbraw/zinc/46/43/98/1064464398.db2.gz VZXJHWNAPPAHFW-QHCPKHFHSA-N 1 0 458.002 4.517 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359801518 1064468653 /nfs/dbraw/zinc/46/86/53/1064468653.db2.gz WTCUQGIAWKGOGR-FGZHOGPDSA-N 1 0 490.737 4.728 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001359802098 1064470471 /nfs/dbraw/zinc/47/04/71/1064470471.db2.gz HUDAVUDNKLOCMT-WXVAWEFUSA-N 1 0 453.675 4.519 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001359806910 1064477175 /nfs/dbraw/zinc/47/71/75/1064477175.db2.gz XKVGCBDQSVPENG-RUZDIDTESA-N 1 0 453.675 4.618 20 0 JJADRO COc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c(Br)c1 ZINC001435062100 1064479657 /nfs/dbraw/zinc/47/96/57/1064479657.db2.gz DAQYMLUNWGXRJT-UHFFFAOYSA-N 1 0 453.808 4.634 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359808924 1064481645 /nfs/dbraw/zinc/48/16/45/1064481645.db2.gz ASDHEEOFDGQLCE-QFIPXVFZSA-N 1 0 490.737 4.872 20 0 JJADRO COc1cc(Br)cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001435065143 1064484387 /nfs/dbraw/zinc/48/43/87/1064484387.db2.gz SABHJNLGCHJKTA-UHFFFAOYSA-N 1 0 459.306 4.681 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCCOc1ccccc1Cl ZINC001435065796 1064485234 /nfs/dbraw/zinc/48/52/34/1064485234.db2.gz TWJVLNRMKYFVGS-UHFFFAOYSA-N 1 0 453.808 4.852 20 0 JJADRO CC(C)Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359811221 1064486849 /nfs/dbraw/zinc/48/68/49/1064486849.db2.gz HGSVTLVQURPJMW-IBGZPJMESA-N 1 0 481.611 4.655 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CCSc1ccccc1Br ZINC001435066793 1064487773 /nfs/dbraw/zinc/48/77/73/1064487773.db2.gz YSSBSOPGZSMCDB-UHFFFAOYSA-N 1 0 457.384 4.800 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001359811861 1064488359 /nfs/dbraw/zinc/48/83/59/1064488359.db2.gz BGGWCGWJBADQMN-XMMPIXPASA-N 1 0 453.675 4.905 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001435067857 1064488407 /nfs/dbraw/zinc/48/84/07/1064488407.db2.gz YBVUIXVIIGGZPP-UHFFFAOYSA-N 1 0 450.892 4.749 20 0 JJADRO CC(C)Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001359814265 1064491148 /nfs/dbraw/zinc/49/11/48/1064491148.db2.gz AMOJJVWUAOZSDK-UHFFFAOYSA-N 1 0 466.674 4.620 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1CC[NH+](C(C)C)C(C)C ZINC001545888547 1064492123 /nfs/dbraw/zinc/49/21/23/1064492123.db2.gz PUFXLTDMOSOSQY-UHFFFAOYSA-N 1 0 475.081 4.531 20 0 JJADRO CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359815215 1064495461 /nfs/dbraw/zinc/49/54/61/1064495461.db2.gz XXDFIEYMTKIRGX-XMMPIXPASA-N 1 0 499.679 4.527 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001359815545 1064496057 /nfs/dbraw/zinc/49/60/57/1064496057.db2.gz OIVGFUCUJLYZEB-SANMLTNESA-N 1 0 474.093 4.578 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCCc3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359817515 1064500342 /nfs/dbraw/zinc/50/03/42/1064500342.db2.gz GDIBOXMEDHIRPZ-RUZDIDTESA-N 1 0 467.702 4.825 20 0 JJADRO CCOc1ccc([C@]2(C(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)CC2(Cl)Cl)cc1 ZINC001435080049 1064502179 /nfs/dbraw/zinc/50/21/79/1064502179.db2.gz MTHLLOAEORYASY-QFIPXVFZSA-N 1 0 453.385 4.630 20 0 JJADRO CC(C)Cc1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001359823058 1064505217 /nfs/dbraw/zinc/50/52/17/1064505217.db2.gz MJHQMIOISHHUJG-NRFANRHFSA-N 1 0 456.997 4.530 20 0 JJADRO C[C@@H](CNC(=O)c1c(F)ccc(C(F)(F)F)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC001359828336 1064509891 /nfs/dbraw/zinc/50/98/91/1064509891.db2.gz FKPVTRRHLJTSJA-LBPRGKRZSA-N 1 0 459.281 4.784 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001359830043 1064511970 /nfs/dbraw/zinc/51/19/70/1064511970.db2.gz CFLOWXNPEQPOTH-GGAORHGYSA-N 1 0 488.721 4.577 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359830929 1064514112 /nfs/dbraw/zinc/51/41/12/1064514112.db2.gz TWNKRGWGPODLCG-PKTZIBPZSA-N 1 0 490.737 4.682 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359831743 1064514661 /nfs/dbraw/zinc/51/46/61/1064514661.db2.gz BBUKFELSLXCGJC-RJGXRXQPSA-N 1 0 488.765 4.612 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001359832824 1064516495 /nfs/dbraw/zinc/51/64/95/1064516495.db2.gz PCTRBTIDSWCMOF-BPYKYCOYSA-N 1 0 459.704 4.537 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001359832823 1064516536 /nfs/dbraw/zinc/51/65/36/1064516536.db2.gz PCTRBTIDSWCMOF-BKSPAHHJSA-N 1 0 459.704 4.537 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359832981 1064517282 /nfs/dbraw/zinc/51/72/82/1064517282.db2.gz RQFCALBJQLHYTG-VXKWHMMOSA-N 1 0 476.710 4.577 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001359833358 1064518545 /nfs/dbraw/zinc/51/85/45/1064518545.db2.gz WTYLCAKYJHUGBZ-OAQYLSRUSA-N 1 0 476.616 4.614 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359834528 1064520725 /nfs/dbraw/zinc/52/07/25/1064520725.db2.gz FUGBYKDNUSMMDS-XMMPIXPASA-N 1 0 453.675 4.709 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359835407 1064522695 /nfs/dbraw/zinc/52/26/95/1064522695.db2.gz WIGYGLPWXDWBHW-GMAHTHKFSA-N 1 0 480.632 4.579 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001359835393 1064522722 /nfs/dbraw/zinc/52/27/22/1064522722.db2.gz WDZBSPCZEHMHPG-VXKWHMMOSA-N 1 0 479.591 4.689 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)cc2)CC1 ZINC001435115553 1064523162 /nfs/dbraw/zinc/52/31/62/1064523162.db2.gz VASVWNJMCQNXKE-UHFFFAOYSA-N 1 0 451.958 4.705 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001359838518 1064525194 /nfs/dbraw/zinc/52/51/94/1064525194.db2.gz CNVNEUYUHCDJMY-MHZLTWQESA-N 1 0 451.659 4.792 20 0 JJADRO CCSc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c(Br)c1 ZINC001359844671 1064530874 /nfs/dbraw/zinc/53/08/74/1064530874.db2.gz GYSUFKAWXANJGR-UHFFFAOYSA-N 1 0 453.421 4.833 20 0 JJADRO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC001359847780 1064534365 /nfs/dbraw/zinc/53/43/65/1064534365.db2.gz WZONYHWCRNMLFU-AWEZNQCLSA-N 1 0 457.771 4.599 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359849838 1064536215 /nfs/dbraw/zinc/53/62/15/1064536215.db2.gz OVODQOGJCJKINE-NHCUHLMSSA-N 1 0 488.671 4.838 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)[C@@H](C)C1 ZINC001435131313 1064536150 /nfs/dbraw/zinc/53/61/50/1064536150.db2.gz DRQLQOZINICACN-WMZOPIPTSA-N 1 0 454.537 4.503 20 0 JJADRO Cc1cc(Br)ccc1SCC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001359851886 1064539146 /nfs/dbraw/zinc/53/91/46/1064539146.db2.gz RZYNBVHXJBNOHW-UHFFFAOYSA-N 1 0 457.384 4.718 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC001359853510 1064540629 /nfs/dbraw/zinc/54/06/29/1064540629.db2.gz LRSLDCCSHLCWOX-UHFFFAOYSA-N 1 0 453.814 4.977 20 0 JJADRO Cn1nc2cc(Br)ccc2c1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001435139221 1064540986 /nfs/dbraw/zinc/54/09/86/1064540986.db2.gz OSSKQRVEDJKPQB-UHFFFAOYSA-N 1 0 455.400 4.642 20 0 JJADRO CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC001435138951 1064541031 /nfs/dbraw/zinc/54/10/31/1064541031.db2.gz XITDNTKZHHLKPJ-UHFFFAOYSA-N 1 0 451.611 4.607 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC001359854337 1064542014 /nfs/dbraw/zinc/54/20/14/1064542014.db2.gz WXPOZXDEOGKIAK-UHFFFAOYSA-N 1 0 450.892 4.749 20 0 JJADRO CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359859758 1064547754 /nfs/dbraw/zinc/54/77/54/1064547754.db2.gz DKUILYDZERFCFF-VXKWHMMOSA-N 1 0 472.747 4.617 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359860181 1064548492 /nfs/dbraw/zinc/54/84/92/1064548492.db2.gz FZAYPIOIAOELMB-XZOQPEGZSA-N 1 0 498.716 4.690 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359860177 1064548748 /nfs/dbraw/zinc/54/87/48/1064548748.db2.gz FZAYPIOIAOELMB-GOTSBHOMSA-N 1 0 498.716 4.690 20 0 JJADRO CC(C)Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001359860288 1064549209 /nfs/dbraw/zinc/54/92/09/1064549209.db2.gz ONHHLRMPKPFAHP-SDHSZQHLSA-N 1 0 466.718 4.665 20 0 JJADRO CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359861279 1064550785 /nfs/dbraw/zinc/55/07/85/1064550785.db2.gz QCOHCYIVEIXDLY-QFIPXVFZSA-N 1 0 458.720 4.515 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1CCC[NH+]1CCCCC1 ZINC001359865145 1064554939 /nfs/dbraw/zinc/55/49/39/1064554939.db2.gz BYRLGRHIBBLBCU-JOCHJYFZSA-N 1 0 477.600 4.532 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001359865401 1064555242 /nfs/dbraw/zinc/55/52/42/1064555242.db2.gz DVCPXCWODCSKDR-VXKWHMMOSA-N 1 0 492.506 4.793 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1CC[NH+]1CCCCC1 ZINC001359865527 1064555379 /nfs/dbraw/zinc/55/53/79/1064555379.db2.gz FUSDARIOPPDASU-OAQYLSRUSA-N 1 0 466.457 4.847 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359865801 1064555827 /nfs/dbraw/zinc/55/58/27/1064555827.db2.gz JEWJJIHSGWWLGQ-MHZLTWQESA-N 1 0 453.675 4.566 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359865768 1064556028 /nfs/dbraw/zinc/55/60/28/1064556028.db2.gz ISAKTLWOFGNQHM-DNQXCXABSA-N 1 0 475.628 4.843 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001359866299 1064557056 /nfs/dbraw/zinc/55/70/56/1064557056.db2.gz OUXPAZVQJXUFPD-SIKLNZKXSA-N 1 0 490.490 4.549 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001359867369 1064559027 /nfs/dbraw/zinc/55/90/27/1064559027.db2.gz AOELOMUZLQTRGX-PMACEKPBSA-N 1 0 476.735 4.785 20 0 JJADRO C[NH+]1CCN(c2ccccc2C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CC1 ZINC001435163845 1064560163 /nfs/dbraw/zinc/56/01/63/1064560163.db2.gz WCRNEHBOXPITOH-UHFFFAOYSA-N 1 0 456.468 4.897 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1 ZINC001359871766 1064563447 /nfs/dbraw/zinc/56/34/47/1064563447.db2.gz YULYYCDIQFWYRE-UHFFFAOYSA-N 1 0 456.590 4.514 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001359877993 1064568820 /nfs/dbraw/zinc/56/88/20/1064568820.db2.gz FSJCRLOOERGZOU-YADHBBJMSA-N 1 0 487.664 4.665 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001359878216 1064569603 /nfs/dbraw/zinc/56/96/03/1064569603.db2.gz HMHXPBDTEZBKRR-ZWKOTPCHSA-N 1 0 496.519 4.610 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001435188771 1064578586 /nfs/dbraw/zinc/57/85/86/1064578586.db2.gz NUMPJVLWQXLZOM-RSXGOPAZSA-N 1 0 457.574 4.612 20 0 JJADRO CC(C)[C@@H](C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001435190549 1064580091 /nfs/dbraw/zinc/58/00/91/1064580091.db2.gz GVXIVVPWRPLXQE-JOCHJYFZSA-N 1 0 451.508 4.652 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001359886439 1064581940 /nfs/dbraw/zinc/58/19/40/1064581940.db2.gz LXWLZAHUZKAFDT-VXKWHMMOSA-N 1 0 486.730 4.510 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001359887844 1064584609 /nfs/dbraw/zinc/58/46/09/1064584609.db2.gz YSHKFNMFETUSCG-ZLNRFVROSA-N 1 0 488.721 4.954 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccccc2OCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001435204608 1064590728 /nfs/dbraw/zinc/59/07/28/1064590728.db2.gz RLXFHCGCAFNEJJ-QUCCMNQESA-N 1 0 450.501 4.518 20 0 JJADRO Cc1ccc(-n2ncc(C(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@H]3C)c2C(F)(F)F)cc1 ZINC001435207459 1064592012 /nfs/dbraw/zinc/59/20/12/1064592012.db2.gz PUUQSWDMFLGYLE-LJQANCHMSA-N 1 0 456.512 4.936 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001359891472 1064592577 /nfs/dbraw/zinc/59/25/77/1064592577.db2.gz RSQHEXSARNTHNT-YDJYNLAZSA-N 1 0 489.108 4.881 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001359891855 1064593134 /nfs/dbraw/zinc/59/31/34/1064593134.db2.gz YGMXTRAYUYJHFO-RUZDIDTESA-N 1 0 477.097 4.737 20 0 JJADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC001435213594 1064595192 /nfs/dbraw/zinc/59/51/92/1064595192.db2.gz PUSHMOMXICWWQF-UHFFFAOYSA-N 1 0 453.970 4.503 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@H]2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001545889647 1064607055 /nfs/dbraw/zinc/60/70/55/1064607055.db2.gz CNABIZNBCVTQKZ-WOJBJXKFSA-N 1 0 484.664 4.724 20 0 JJADRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)c1 ZINC001435226745 1064607093 /nfs/dbraw/zinc/60/70/93/1064607093.db2.gz KBBZKCGJWCKDRA-ZJSXRUAMSA-N 1 0 457.640 4.571 20 0 JJADRO CC(C)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001359901769 1064611310 /nfs/dbraw/zinc/61/13/10/1064611310.db2.gz CMHRSVXIZSCHCK-UHFFFAOYSA-N 1 0 496.469 4.830 20 0 JJADRO CC(C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001359903033 1064617395 /nfs/dbraw/zinc/61/73/95/1064617395.db2.gz YMDCVRPYLFOMCN-NHCUHLMSSA-N 1 0 476.065 4.666 20 0 JJADRO Cc1c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435238826 1064618873 /nfs/dbraw/zinc/61/88/73/1064618873.db2.gz YVVHLEGORPNQMI-UHFFFAOYSA-N 1 0 455.484 4.968 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359914830 1064634744 /nfs/dbraw/zinc/63/47/44/1064634744.db2.gz OPYFNZSDZMONGS-KRWDZBQOSA-N 1 0 465.465 4.882 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001359915067 1064636365 /nfs/dbraw/zinc/63/63/65/1064636365.db2.gz XKNFRENZSYGSTA-QGZVFWFLSA-N 1 0 454.446 4.703 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359915090 1064636599 /nfs/dbraw/zinc/63/65/99/1064636599.db2.gz YVTDEIXDMZCZQE-IBGZPJMESA-N 1 0 472.522 4.689 20 0 JJADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001435262092 1064638268 /nfs/dbraw/zinc/63/82/68/1064638268.db2.gz ROOISJSBICWJBO-WEMPKCCASA-N 1 0 459.612 4.511 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001435262170 1064638382 /nfs/dbraw/zinc/63/83/82/1064638382.db2.gz SPLBVIGRMKJFLX-HOYKHHGWSA-N 1 0 457.043 4.946 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[NH+]1CCC(C)CC1 ZINC001359917966 1064639953 /nfs/dbraw/zinc/63/99/53/1064639953.db2.gz ULJUCTWZVZZNBB-UHFFFAOYSA-N 1 0 493.700 4.840 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359918343 1064641016 /nfs/dbraw/zinc/64/10/16/1064641016.db2.gz FNTOAJHPAHSIPD-JWQCQUIFSA-N 1 0 453.675 4.957 20 0 JJADRO CC(C)CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359918613 1064641559 /nfs/dbraw/zinc/64/15/59/1064641559.db2.gz LKCJWKKTJUACDC-UHFFFAOYSA-N 1 0 490.737 4.997 20 0 JJADRO C[NH+](C)C1(CNC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)Cc2ccccc2C1 ZINC001435268763 1064647389 /nfs/dbraw/zinc/64/73/89/1064647389.db2.gz FHTRQFGJHGBTLH-UHFFFAOYSA-N 1 0 451.014 4.788 20 0 JJADRO CC(C)CCN(c1nnc(-c2cccc(Br)c2)n1CCC[NH+]1CCC(O)CC1)C1CC1 ZINC001359923599 1064652954 /nfs/dbraw/zinc/65/29/54/1064652954.db2.gz PBWKKKKJIYEKPB-UHFFFAOYSA-N 1 0 490.490 4.569 20 0 JJADRO CC(C)CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001359923635 1064653588 /nfs/dbraw/zinc/65/35/88/1064653588.db2.gz QSVFUNNLPAZRFE-IBGZPJMESA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1)C1CC1 ZINC001359924452 1064655226 /nfs/dbraw/zinc/65/52/26/1064655226.db2.gz QDKBIDYIROGMSZ-JOCHJYFZSA-N 1 0 486.705 4.669 20 0 JJADRO C[N@@H+]1CCN(C(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)C2(CCCCC2)C1 ZINC001435295371 1064671887 /nfs/dbraw/zinc/67/18/87/1064671887.db2.gz LPYZUOKZCJVPDT-UHFFFAOYSA-N 1 0 455.643 4.730 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cccc(C(=O)OCc4ccccc4)c3)cc2)CC1 ZINC001359934567 1064677939 /nfs/dbraw/zinc/67/79/39/1064677939.db2.gz MCWDXNKNUALFKF-UHFFFAOYSA-N 1 0 457.574 4.826 20 0 JJADRO CC(C)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001359943531 1064688190 /nfs/dbraw/zinc/68/81/90/1064688190.db2.gz CLFLJXCUGSGBRD-DEOSSOPVSA-N 1 0 452.691 4.561 20 0 JJADRO Cc1nc(CC2CC2)sc1C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435315812 1064688387 /nfs/dbraw/zinc/68/83/87/1064688387.db2.gz JMCQROHZTPZHKX-IBGZPJMESA-N 1 0 451.558 4.931 20 0 JJADRO CC(C)(C)OC(=O)CCCCC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435316447 1064688536 /nfs/dbraw/zinc/68/85/36/1064688536.db2.gz OAMNSDGEZOFTJB-FQEVSTJZSA-N 1 0 456.549 4.802 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1oc2ccccc2c1Br ZINC001435319798 1064693780 /nfs/dbraw/zinc/69/37/80/1064693780.db2.gz TYQFCAPKXCVNFO-UHFFFAOYSA-N 1 0 458.356 4.598 20 0 JJADRO CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001359947181 1064695771 /nfs/dbraw/zinc/69/57/71/1064695771.db2.gz BPGAXZCBPNGEFG-DNQXCXABSA-N 1 0 475.722 4.572 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CCCCC2)CC1 ZINC001359947215 1064695873 /nfs/dbraw/zinc/69/58/73/1064695873.db2.gz DCLFIXFOJDFBGJ-UHFFFAOYSA-N 1 0 481.689 4.700 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001359947548 1064697272 /nfs/dbraw/zinc/69/72/72/1064697272.db2.gz AVHXYRAOOLOPFU-UHFFFAOYSA-N 1 0 456.585 4.946 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001359948118 1064699401 /nfs/dbraw/zinc/69/94/01/1064699401.db2.gz JGZWVQVRMKBMFB-OAQYLSRUSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H]2c2cnn(C)c2)CC1 ZINC001359948555 1064700149 /nfs/dbraw/zinc/70/01/49/1064700149.db2.gz NUOOXYRAPRWVIQ-QHCPKHFHSA-N 1 0 455.695 4.700 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001359948572 1064700261 /nfs/dbraw/zinc/70/02/61/1064700261.db2.gz OKAYOSIVCDYSEB-HSZRJFAPSA-N 1 0 490.737 4.728 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccccc3F)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001359948957 1064701006 /nfs/dbraw/zinc/70/10/06/1064701006.db2.gz UJIBKAFQIUXOSB-SFTDATJTSA-N 1 0 457.638 4.847 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccccc3F)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001359948953 1064701017 /nfs/dbraw/zinc/70/10/17/1064701017.db2.gz UJIBKAFQIUXOSB-NHCUHLMSSA-N 1 0 457.638 4.847 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001359948778 1064701038 /nfs/dbraw/zinc/70/10/38/1064701038.db2.gz QKIXWSKDZBJOSI-QHCPKHFHSA-N 1 0 471.665 4.629 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001359948984 1064701656 /nfs/dbraw/zinc/70/16/56/1064701656.db2.gz VAYGQQDDEIVUHR-UHFFFAOYSA-N 1 0 473.628 4.518 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCCCO3)nnc2N2CCC=C(Br)C2)CC1 ZINC001359949196 1064702111 /nfs/dbraw/zinc/70/21/11/1064702111.db2.gz YRGBNJBKQFOZCA-OAQYLSRUSA-N 1 0 480.495 4.767 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001359950688 1064706521 /nfs/dbraw/zinc/70/65/21/1064706521.db2.gz MQRVPKNJLFYFTB-RTWAWAEBSA-N 1 0 469.674 4.856 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N3CC[C@H](C)[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001359951026 1064707798 /nfs/dbraw/zinc/70/77/98/1064707798.db2.gz RIWZBXQZPGJLAF-QHWMMSMNSA-N 1 0 475.722 4.559 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001435338783 1064708758 /nfs/dbraw/zinc/70/87/58/1064708758.db2.gz JQTCUZDUARLRRF-JPYJTQIMSA-N 1 0 456.030 4.643 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001359952089 1064713453 /nfs/dbraw/zinc/71/34/53/1064713453.db2.gz MRGXUNBOLUWTGV-DHLKQENFSA-N 1 0 469.674 4.716 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001359952336 1064714476 /nfs/dbraw/zinc/71/44/76/1064714476.db2.gz TWVNWPBWRLDCGN-QPPBQGQZSA-N 1 0 481.641 4.881 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3[C@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001545890375 1064714557 /nfs/dbraw/zinc/71/45/57/1064714557.db2.gz ZJSFCJCGHNPGHC-JOCHJYFZSA-N 1 0 480.701 4.832 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001359952674 1064716334 /nfs/dbraw/zinc/71/63/34/1064716334.db2.gz ZOVCWGGFQFTGMD-JOCHJYFZSA-N 1 0 469.674 4.717 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[N@H+](C)C(C)C)CC1 ZINC001359953951 1064717899 /nfs/dbraw/zinc/71/78/99/1064717899.db2.gz APFNZRUSHCBKCK-UHFFFAOYSA-N 1 0 464.658 4.865 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001359954323 1064719488 /nfs/dbraw/zinc/71/94/88/1064719488.db2.gz GCPMDXHRGQHTNV-OAQYLSRUSA-N 1 0 495.590 4.622 20 0 JJADRO O=C(CSCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(Cl)cc1 ZINC001435362033 1064724538 /nfs/dbraw/zinc/72/45/38/1064724538.db2.gz ROYGYHFHZPUFJN-VWLOTQADSA-N 1 0 457.039 4.771 20 0 JJADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(Br)cc(OC(C)C)c1 ZINC001435362907 1064724663 /nfs/dbraw/zinc/72/46/63/1064724663.db2.gz SHHHTPJAJAUXBA-UHFFFAOYSA-N 1 0 453.343 4.973 20 0 JJADRO O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1(OCc2ccccc2)CCOCC1 ZINC001359957647 1064725848 /nfs/dbraw/zinc/72/58/48/1064725848.db2.gz XECQEVOQCAWQRT-DEOSSOPVSA-N 1 0 457.014 4.577 20 0 JJADRO C[C@H](OC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)c1nc2cc(Cl)ccc2n1C ZINC001435365145 1064726169 /nfs/dbraw/zinc/72/61/69/1064726169.db2.gz WFSIGXXSZFVOKZ-INIZCTEOSA-N 1 0 451.958 4.570 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001359958200 1064727413 /nfs/dbraw/zinc/72/74/13/1064727413.db2.gz PAFXSCCVQZIISB-UHFFFAOYSA-N 1 0 457.638 4.524 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359958527 1064728305 /nfs/dbraw/zinc/72/83/05/1064728305.db2.gz ZFRBEYXWTUNLQF-QFIPXVFZSA-N 1 0 471.665 4.771 20 0 JJADRO CC(C)CCOC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001359958612 1064728778 /nfs/dbraw/zinc/72/87/78/1064728778.db2.gz BJYQGUPDWJXORF-POGFHVCPSA-N 1 0 461.695 4.672 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001435379295 1064730652 /nfs/dbraw/zinc/73/06/52/1064730652.db2.gz LHODLAYAFLXZDQ-RDJZCZTQSA-N 1 0 459.928 4.641 20 0 JJADRO CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)ccc2C)ccn1 ZINC001435382786 1064731974 /nfs/dbraw/zinc/73/19/74/1064731974.db2.gz DFTQKWOCAAJWDV-UHFFFAOYSA-N 1 0 458.562 4.780 20 0 JJADRO CC(C)CCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359964492 1064738865 /nfs/dbraw/zinc/73/88/65/1064738865.db2.gz XFXDVJCAIKKROE-UHFFFAOYSA-N 1 0 478.479 4.691 20 0 JJADRO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001359966871 1064742115 /nfs/dbraw/zinc/74/21/15/1064742115.db2.gz GSXUBBZULMSLEU-DEOSSOPVSA-N 1 0 461.695 4.675 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Br)c(F)cc1Cl ZINC001435412998 1064745022 /nfs/dbraw/zinc/74/50/22/1064745022.db2.gz DCMJRXNFTSCUSI-UHFFFAOYSA-N 1 0 454.771 4.783 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359973480 1064751014 /nfs/dbraw/zinc/75/10/14/1064751014.db2.gz UIJLUHADMMXGMW-PMACEKPBSA-N 1 0 459.704 4.867 20 0 JJADRO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCCC1 ZINC001359983059 1064759388 /nfs/dbraw/zinc/75/93/88/1064759388.db2.gz PLAJIQVXSRLWKJ-SZPZYZBQSA-N 1 0 472.722 4.676 20 0 JJADRO CC(C)CN(c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CCCC1 ZINC001359982988 1064759452 /nfs/dbraw/zinc/75/94/52/1064759452.db2.gz IWCYFQCCENRQJF-VWLOTQADSA-N 1 0 467.702 4.986 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCc2ccccc2C1)C(C)C ZINC001359984908 1064763264 /nfs/dbraw/zinc/76/32/64/1064763264.db2.gz DYDWTBQSQWTFJZ-UHFFFAOYSA-N 1 0 453.034 4.923 20 0 JJADRO CC(C)CN(c1nnc(-c2cc(Br)cn2C)n1CC1([NH+](C)C)CCCC1)C(C)C ZINC001359985162 1064763874 /nfs/dbraw/zinc/76/38/74/1064763874.db2.gz IJUVVXFLEWUKCN-UHFFFAOYSA-N 1 0 465.484 4.791 20 0 JJADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCCCC2)C1 ZINC001435450209 1064764070 /nfs/dbraw/zinc/76/40/70/1064764070.db2.gz CLLIECLWMGVVRS-NRFANRHFSA-N 1 0 451.449 4.610 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CCCC1 ZINC001359985824 1064765045 /nfs/dbraw/zinc/76/50/45/1064765045.db2.gz RBQZJYMARWXXKW-PMACEKPBSA-N 1 0 475.081 4.898 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001435458149 1064768392 /nfs/dbraw/zinc/76/83/92/1064768392.db2.gz GJEAHWJHLNQUQZ-GZOXUSKESA-N 1 0 451.611 4.598 20 0 JJADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001435458151 1064768456 /nfs/dbraw/zinc/76/84/56/1064768456.db2.gz GJEAHWJHLNQUQZ-PMACEKPBSA-N 1 0 451.611 4.598 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC001435460491 1064770164 /nfs/dbraw/zinc/77/01/64/1064770164.db2.gz LGMUORKNXSIVHR-AGYDLCDTSA-N 1 0 453.671 4.515 20 0 JJADRO CC(C)CN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCC(C)CC1)C(C)C ZINC001359989965 1064771651 /nfs/dbraw/zinc/77/16/51/1064771651.db2.gz SDNGRIVGKJHQPH-UHFFFAOYSA-N 1 0 490.737 4.995 20 0 JJADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)o1 ZINC001435469908 1064776457 /nfs/dbraw/zinc/77/64/57/1064776457.db2.gz BJQBVFJLDVNTPN-UHFFFAOYSA-N 1 0 452.942 4.891 20 0 JJADRO COc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)c1 ZINC001435473396 1064777932 /nfs/dbraw/zinc/77/79/32/1064777932.db2.gz YEGIJGRWHVRHCH-QFIPXVFZSA-N 1 0 453.410 4.996 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001435473581 1064778472 /nfs/dbraw/zinc/77/84/72/1064778472.db2.gz YMCRTCAVJMONST-UHFFFAOYSA-N 1 0 457.621 4.627 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)nc2)CC1 ZINC001435477897 1064780634 /nfs/dbraw/zinc/78/06/34/1064780634.db2.gz RKVKLVNGJIEMGI-UHFFFAOYSA-N 1 0 459.472 4.538 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](CC(N)=O)c2ccccc2Cl)c1 ZINC001435492514 1064787972 /nfs/dbraw/zinc/78/79/72/1064787972.db2.gz SAVWSEKDXSJZCK-BFLUCZKCSA-N 1 0 476.020 4.597 20 0 JJADRO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360006936 1064794050 /nfs/dbraw/zinc/79/40/50/1064794050.db2.gz YUZNDDHUEKWRBD-CWBXHPNXSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360008111 1064796131 /nfs/dbraw/zinc/79/61/31/1064796131.db2.gz KYPHAQIUASZKDY-VQTJNVASSA-N 1 0 478.056 4.968 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)C1 ZINC001360008214 1064796827 /nfs/dbraw/zinc/79/68/27/1064796827.db2.gz NCVYEAJIQVGUMM-QZTJIDSGSA-N 1 0 471.543 4.924 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)C1 ZINC001360008296 1064797399 /nfs/dbraw/zinc/79/73/99/1064797399.db2.gz OYFOYBJPTMOEKD-FKBYEOEOSA-N 1 0 487.664 4.929 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCC[C@H](c3noc(C(C)C)n3)C2)C1 ZINC001360008329 1064797449 /nfs/dbraw/zinc/79/74/49/1064797449.db2.gz PLAITASXSNUNNO-RTWAWAEBSA-N 1 0 457.667 4.660 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N(C)CC2CC2)C1 ZINC001360008279 1064797569 /nfs/dbraw/zinc/79/75/69/1064797569.db2.gz OLNGJKNLPZKTQA-IBGZPJMESA-N 1 0 460.464 4.922 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001360008629 1064797873 /nfs/dbraw/zinc/79/78/73/1064797873.db2.gz UVRCZRIHVPRKAR-HSZRJFAPSA-N 1 0 473.109 4.745 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360008660 1064798348 /nfs/dbraw/zinc/79/83/48/1064798348.db2.gz VFVURUKPEUKLRM-NZQKXSOJSA-N 1 0 491.627 4.920 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360009417 1064798959 /nfs/dbraw/zinc/79/89/59/1064798959.db2.gz BCHGIWOFVUJCPF-RJGXRXQPSA-N 1 0 461.695 4.672 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360009420 1064799065 /nfs/dbraw/zinc/79/90/65/1064799065.db2.gz BCHGIWOFVUJCPF-ZRBLBEILSA-N 1 0 461.695 4.672 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C1 ZINC001360009999 1064800741 /nfs/dbraw/zinc/80/07/41/1064800741.db2.gz IRULBMSZAUGPAW-ICSRJNTNSA-N 1 0 479.591 4.594 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001360010427 1064801853 /nfs/dbraw/zinc/80/18/53/1064801853.db2.gz PRURJIZSFPNWHN-ZCNNSNEGSA-N 1 0 457.585 4.666 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360010595 1064803497 /nfs/dbraw/zinc/80/34/97/1064803497.db2.gz SEPHMDACRUGRBR-NHCUHLMSSA-N 1 0 460.066 4.829 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](COC(C)C)C2)C1 ZINC001360010755 1064804496 /nfs/dbraw/zinc/80/44/96/1064804496.db2.gz VWDSOASSKYROCJ-YADHBBJMSA-N 1 0 490.092 4.597 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001360010796 1064804598 /nfs/dbraw/zinc/80/45/98/1064804598.db2.gz WIWYLTXEQQEHSZ-NRFANRHFSA-N 1 0 486.611 4.889 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)C1 ZINC001360010858 1064804613 /nfs/dbraw/zinc/80/46/13/1064804613.db2.gz XCAJHUMGXSJQAK-OTWHNJEPSA-N 1 0 463.095 4.692 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001360010723 1064804671 /nfs/dbraw/zinc/80/46/71/1064804671.db2.gz VEORLLFLGHJQPW-YADHBBJMSA-N 1 0 491.627 4.778 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@H]2CCOC2)C1 ZINC001360011717 1064806239 /nfs/dbraw/zinc/80/62/39/1064806239.db2.gz HHOXXQBYPMNVQS-DNQXCXABSA-N 1 0 497.728 4.995 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001360011510 1064806266 /nfs/dbraw/zinc/80/62/66/1064806266.db2.gz DQIDKRSSVFQHSC-UMFSSWHCSA-N 1 0 497.728 4.730 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)C1 ZINC001360011712 1064806517 /nfs/dbraw/zinc/80/65/17/1064806517.db2.gz HGWYAVFYCPTICU-PMACEKPBSA-N 1 0 478.106 4.817 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001360011586 1064806659 /nfs/dbraw/zinc/80/66/59/1064806659.db2.gz GOGYQLKZBKPBLG-HXUWFJFHSA-N 1 0 483.623 4.727 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C1 ZINC001360012215 1064808220 /nfs/dbraw/zinc/80/82/20/1064808220.db2.gz MWWDBQSOWVIQNX-ACIOBRDBSA-N 1 0 493.618 4.587 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2cccc(O)c2)C1 ZINC001360012330 1064808967 /nfs/dbraw/zinc/80/89/67/1064808967.db2.gz POQYGRYBRZZMHE-GGAORHGYSA-N 1 0 462.642 4.535 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N(C)[C@@H](C)c3cccs3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001360012354 1064809043 /nfs/dbraw/zinc/80/90/43/1064809043.db2.gz QFNMNWQOZCRATF-AOJNWGRGSA-N 1 0 489.730 4.946 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N(C)[C@H](C)c3cccs3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001360012357 1064809388 /nfs/dbraw/zinc/80/93/88/1064809388.db2.gz QFNMNWQOZCRATF-UFPGJGBJSA-N 1 0 489.730 4.946 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)C1 ZINC001360013000 1064811018 /nfs/dbraw/zinc/81/10/18/1064811018.db2.gz ZYRQTJVGGYYNHU-UARRHKHWSA-N 1 0 489.749 4.816 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CCCCCC2)CC1 ZINC001360014702 1064812779 /nfs/dbraw/zinc/81/27/79/1064812779.db2.gz JCADOYPAGHIVLO-UHFFFAOYSA-N 1 0 490.490 4.571 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360014985 1064813991 /nfs/dbraw/zinc/81/39/91/1064813991.db2.gz LNZBFQWSGZZGON-KDYSTLNUSA-N 1 0 487.664 4.667 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001360015992 1064814745 /nfs/dbraw/zinc/81/47/45/1064814745.db2.gz VMYANOIOCIBDHT-ICSRJNTNSA-N 1 0 460.464 4.922 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360017308 1064816890 /nfs/dbraw/zinc/81/68/90/1064816890.db2.gz CWNCKIILYLCWQL-PMACEKPBSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC2CC2)CC1 ZINC001360017658 1064818660 /nfs/dbraw/zinc/81/86/60/1064818660.db2.gz HJCKGHCWUGGCNE-UHFFFAOYSA-N 1 0 466.855 4.939 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360018082 1064819397 /nfs/dbraw/zinc/81/93/97/1064819397.db2.gz MIWHFNQSMBAXRY-QZTJIDSGSA-N 1 0 496.519 4.752 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001360018895 1064821068 /nfs/dbraw/zinc/82/10/68/1064821068.db2.gz XYWJETARXNZFFR-UHFFFAOYSA-N 1 0 491.080 4.680 20 0 JJADRO Cn1cc(C(=O)c2cccc3ccccc32)cc1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC001360019415 1064821746 /nfs/dbraw/zinc/82/17/46/1064821746.db2.gz NPEKXRSFWVUFOW-UHFFFAOYSA-N 1 0 457.549 4.752 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001360021187 1064824507 /nfs/dbraw/zinc/82/45/07/1064824507.db2.gz AFGVIIKHAUBNEN-DHIUTWEWSA-N 1 0 453.675 4.953 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCSC2)CC1 ZINC001360021888 1064825948 /nfs/dbraw/zinc/82/59/48/1064825948.db2.gz URHLWFZZKHBAKR-GOSISDBHSA-N 1 0 478.504 4.629 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(C3CCC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360024134 1064827013 /nfs/dbraw/zinc/82/70/13/1064827013.db2.gz HCYNNKYWOFPIEZ-FQEVSTJZSA-N 1 0 453.528 4.945 20 0 JJADRO Cc1c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)cnn1-c1ccncc1 ZINC001360028302 1064830081 /nfs/dbraw/zinc/83/00/81/1064830081.db2.gz AZJMJSSWLHDIHN-UHFFFAOYSA-N 1 0 458.393 4.621 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001360032063 1064833590 /nfs/dbraw/zinc/83/35/90/1064833590.db2.gz SDNKBCJUQURFFR-AHKZPQOWSA-N 1 0 467.702 4.683 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C ZINC001360031631 1064833678 /nfs/dbraw/zinc/83/36/78/1064833678.db2.gz BUDDTYKMIYQXEG-UHFFFAOYSA-N 1 0 459.553 4.679 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001360033590 1064836163 /nfs/dbraw/zinc/83/61/63/1064836163.db2.gz DWQIWYQPXDEFDI-XMMPIXPASA-N 1 0 483.701 4.748 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001360034701 1064839041 /nfs/dbraw/zinc/83/90/41/1064839041.db2.gz GXNDIZGTPWNKKF-UGKGYDQZSA-N 1 0 460.066 4.828 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@H]2C(C)C)C1 ZINC001360035512 1064840942 /nfs/dbraw/zinc/84/09/42/1064840942.db2.gz NRRLDAFMBOXBAC-MSOLQXFVSA-N 1 0 496.519 4.751 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360035524 1064841117 /nfs/dbraw/zinc/84/11/17/1064841117.db2.gz NSCIAXFEJCENDI-PKTZIBPZSA-N 1 0 490.092 4.739 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@H](C)C2)C1 ZINC001360035921 1064842462 /nfs/dbraw/zinc/84/24/62/1064842462.db2.gz RCHOPLMKVMLFHX-HKUYNNGSSA-N 1 0 466.457 4.845 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@H](C(C)C)C2)C1 ZINC001360036066 1064844179 /nfs/dbraw/zinc/84/41/79/1064844179.db2.gz SBGHPGHWTJRQPT-UNMCSNQZSA-N 1 0 490.490 4.547 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(C)C)C2)C1 ZINC001360036263 1064844521 /nfs/dbraw/zinc/84/45/21/1064844521.db2.gz WXYMJDYHQPZEST-ZLNRFVROSA-N 1 0 487.664 4.786 20 0 JJADRO O=C(c1nnn(-c2ccccc2)c1C(F)F)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001360037984 1064848691 /nfs/dbraw/zinc/84/86/91/1064848691.db2.gz ZSZDBOCCXDSAFX-UHFFFAOYSA-N 1 0 459.928 4.597 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C2CCC(C)CC2)C1 ZINC001360038035 1064848805 /nfs/dbraw/zinc/84/88/05/1064848805.db2.gz AOTIMQHQZHKUNI-QROMIFEXSA-N 1 0 475.722 4.568 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C2CCC(C)CC2)C1 ZINC001360038032 1064848876 /nfs/dbraw/zinc/84/88/76/1064848876.db2.gz AOTIMQHQZHKUNI-AXHJKWHWSA-N 1 0 475.722 4.568 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(N(C)CCCc3cc(-c4ccccc4)no3)nnc2C(C)(C)C)C1 ZINC001360038458 1064849447 /nfs/dbraw/zinc/84/94/47/1064849447.db2.gz GBOHGAFDTNPKHJ-XMMPIXPASA-N 1 0 494.684 4.656 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(COc3ccccc3F)nnc2N(C)[C@H](C)c2cccs2)C1 ZINC001360038209 1064849510 /nfs/dbraw/zinc/84/95/10/1064849510.db2.gz CJOZAZSWPYSSMO-UXHICEINSA-N 1 0 487.645 4.612 20 0 JJADRO C[C@@H]1C[C@@H](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)C[N@@H+]1Cc1ccccc1 ZINC001435588518 1064853715 /nfs/dbraw/zinc/85/37/15/1064853715.db2.gz XYAWJETXDYNVIA-IEBWSBKVSA-N 1 0 455.396 4.642 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360040306 1064855319 /nfs/dbraw/zinc/85/53/19/1064855319.db2.gz PNIGTKBQAHXABP-NFBKMPQASA-N 1 0 474.093 4.752 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001360042015 1064858437 /nfs/dbraw/zinc/85/84/37/1064858437.db2.gz NYBBYFYXTZNZRJ-HSZRJFAPSA-N 1 0 496.700 4.760 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)/C=C\c2nc3ccccc3s2)ccc1Cl ZINC001435592651 1064858955 /nfs/dbraw/zinc/85/89/55/1064858955.db2.gz JQMSZDQUBQNPAB-QXMHVHEDSA-N 1 0 456.999 4.673 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cc(C)cc3c(C)ccnc23)ccc1Cl ZINC001435593489 1064859322 /nfs/dbraw/zinc/85/93/22/1064859322.db2.gz UJTBGHFKDPSAOP-UHFFFAOYSA-N 1 0 452.986 4.829 20 0 JJADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC001435599825 1064864287 /nfs/dbraw/zinc/86/42/87/1064864287.db2.gz BZBOUFUZBIQEPO-GOSISDBHSA-N 1 0 459.377 4.963 20 0 JJADRO CC(C)COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC001360050312 1064874614 /nfs/dbraw/zinc/87/46/14/1064874614.db2.gz ONASDKAIJHVDCC-VWLOTQADSA-N 1 0 496.744 4.555 20 0 JJADRO CC(C)COc1ccc(Cn2c(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001360050462 1064875222 /nfs/dbraw/zinc/87/52/22/1064875222.db2.gz TXBJRTNIAJQRAK-UHFFFAOYSA-N 1 0 496.744 4.654 20 0 JJADRO Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001435614049 1064877300 /nfs/dbraw/zinc/87/73/00/1064877300.db2.gz RCIMQFNLEAYYQZ-VWNXMTODSA-N 1 0 452.002 4.533 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001360056084 1064886263 /nfs/dbraw/zinc/88/62/63/1064886263.db2.gz AGTDEPSIZYUPLR-UGKGYDQZSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001360056594 1064887880 /nfs/dbraw/zinc/88/78/80/1064887880.db2.gz DFKASYMDAPNVGR-BVAGGSTKSA-N 1 0 497.728 4.995 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001360056601 1064888647 /nfs/dbraw/zinc/88/86/47/1064888647.db2.gz DFKASYMDAPNVGR-ZEQKJWHPSA-N 1 0 497.728 4.995 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001360061979 1064901993 /nfs/dbraw/zinc/90/19/93/1064901993.db2.gz FCMKDBSRYZMNLU-LOSJGSFVSA-N 1 0 467.702 4.683 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001360063924 1064904759 /nfs/dbraw/zinc/90/47/59/1064904759.db2.gz SYTZBXLIIPMZEN-NHCUHLMSSA-N 1 0 475.628 4.663 20 0 JJADRO CC(C)COCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360066110 1064909041 /nfs/dbraw/zinc/90/90/41/1064909041.db2.gz GGUSIMVMCXNKQH-UHFFFAOYSA-N 1 0 463.070 4.614 20 0 JJADRO C[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001435658313 1064913338 /nfs/dbraw/zinc/91/33/38/1064913338.db2.gz YIXGNIGPSDOEQV-ZJDLJICXSA-N 1 0 457.412 4.633 20 0 JJADRO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001435658476 1064913557 /nfs/dbraw/zinc/91/35/57/1064913557.db2.gz ZKQDYOKZIWFACQ-WTYSZDEDSA-N 1 0 457.412 4.633 20 0 JJADRO CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)co1 ZINC001435661944 1064916122 /nfs/dbraw/zinc/91/61/22/1064916122.db2.gz KTZGYDXPDZCUAH-FUHRKDBISA-N 1 0 450.579 4.665 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C[C@@H](n2cccn2)C(F)(F)F)cc1)C[C@H]1CCCCO1 ZINC001435674750 1064927342 /nfs/dbraw/zinc/92/73/42/1064927342.db2.gz SGWQEDJGHFVNIG-NHCUHLMSSA-N 1 0 452.521 4.795 20 0 JJADRO COc1cc(C(=O)Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)cc(OC)c1OC ZINC001435675355 1064927646 /nfs/dbraw/zinc/92/76/46/1064927646.db2.gz UPHNAPSIUSVDAT-JOCHJYFZSA-N 1 0 456.583 4.744 20 0 JJADRO Cc1cc(C(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)nc(C(F)(F)F)n1 ZINC001435675352 1064928070 /nfs/dbraw/zinc/92/80/70/1064928070.db2.gz UKIUGBAREPEPJM-LJQANCHMSA-N 1 0 450.505 4.836 20 0 JJADRO C[NH+](C)CCOc1ccc(CCC(=O)N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)cc1 ZINC001360082005 1064941547 /nfs/dbraw/zinc/94/15/47/1064941547.db2.gz OAVLQBAWUNIJDY-UHFFFAOYSA-N 1 0 452.595 4.650 20 0 JJADRO CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360083055 1064944538 /nfs/dbraw/zinc/94/45/38/1064944538.db2.gz VMVSQVNBVQCGRT-QFIPXVFZSA-N 1 0 452.672 4.763 20 0 JJADRO C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435705797 1064948450 /nfs/dbraw/zinc/94/84/50/1064948450.db2.gz QVCBXQQJLCUQBK-OYDLWJJNSA-N 1 0 451.611 4.669 20 0 JJADRO C[C@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435708877 1064949474 /nfs/dbraw/zinc/94/94/74/1064949474.db2.gz ZGMVOMKCAPZQPH-DCJWPQLDSA-N 1 0 453.671 4.659 20 0 JJADRO C[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435708892 1064949798 /nfs/dbraw/zinc/94/97/98/1064949798.db2.gz ZGMVOMKCAPZQPH-VEMGEMFASA-N 1 0 453.671 4.659 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001435709939 1064950302 /nfs/dbraw/zinc/95/03/02/1064950302.db2.gz GPGAQUXYAHLYMO-UHFFFAOYSA-N 1 0 459.472 4.529 20 0 JJADRO CC(C)CSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001360088847 1064954692 /nfs/dbraw/zinc/95/46/92/1064954692.db2.gz ASAIXRAQMREIMV-DNVJHFABSA-N 1 0 477.763 4.898 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc([C@H]4CCCOC4)cc3)cc2)C[C@H]1C ZINC001435723544 1064955480 /nfs/dbraw/zinc/95/54/80/1064955480.db2.gz JPGNTACCZVUKBO-DRLORSAXSA-N 1 0 450.623 4.520 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360092406 1064960496 /nfs/dbraw/zinc/96/04/96/1064960496.db2.gz DXGDERJTWIKZJW-FCHUYYIVSA-N 1 0 461.601 4.890 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360092407 1064961276 /nfs/dbraw/zinc/96/12/76/1064961276.db2.gz DXGDERJTWIKZJW-FGZHOGPDSA-N 1 0 461.601 4.890 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001360092473 1064961568 /nfs/dbraw/zinc/96/15/68/1064961568.db2.gz HAIPEQRNHZGPPF-UHFFFAOYSA-N 1 0 486.671 4.797 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(C)CCCO2)CC1 ZINC001360092539 1064961814 /nfs/dbraw/zinc/96/18/14/1064961814.db2.gz JEBOGHVNZNCJJZ-DEOSSOPVSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001360092526 1064962013 /nfs/dbraw/zinc/96/20/13/1064962013.db2.gz ITJSTCQKBNXUQT-UHFFFAOYSA-N 1 0 467.580 4.921 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360092593 1064962217 /nfs/dbraw/zinc/96/22/17/1064962217.db2.gz LIYLBNMARNSRNY-RDGATRHJSA-N 1 0 451.659 4.853 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001360092704 1064963083 /nfs/dbraw/zinc/96/30/83/1064963083.db2.gz PCZIIZNHSQYKBS-OAQYLSRUSA-N 1 0 498.716 4.815 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001360092672 1064963100 /nfs/dbraw/zinc/96/31/00/1064963100.db2.gz OACJHPBFKHVVPY-DHUJRADRSA-N 1 0 496.725 4.597 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360094415 1064965698 /nfs/dbraw/zinc/96/56/98/1064965698.db2.gz AWHCPAQNUJWXQC-HXUWFJFHSA-N 1 0 476.710 4.748 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccsc2Br)CC1 ZINC001360094565 1064966146 /nfs/dbraw/zinc/96/61/46/1064966146.db2.gz DVLYQRNHSKIZFQ-UHFFFAOYSA-N 1 0 489.487 4.769 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CC3)n2CCc2ccc(Br)s2)CC1 ZINC001360094768 1064966818 /nfs/dbraw/zinc/96/68/18/1064966818.db2.gz LLGANDHPUNSHQK-UHFFFAOYSA-N 1 0 466.493 4.779 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(Cl)cc2)CC1 ZINC001360094977 1064967621 /nfs/dbraw/zinc/96/76/21/1064967621.db2.gz RRBJQXNQCIJCAD-QHCPKHFHSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001360094858 1064967934 /nfs/dbraw/zinc/96/79/34/1064967934.db2.gz NLHAJZDXGBMLSB-UHFFFAOYSA-N 1 0 466.649 4.957 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(C)CCCO2)CC1 ZINC001360095327 1064969273 /nfs/dbraw/zinc/96/92/73/1064969273.db2.gz FUDAELAXZOBWAS-RUZDIDTESA-N 1 0 460.066 4.648 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001360095828 1064970528 /nfs/dbraw/zinc/97/05/28/1064970528.db2.gz QEBJYNFPRJRXBM-UHFFFAOYSA-N 1 0 495.716 4.709 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(Cl)c2)CC1 ZINC001360095839 1064970855 /nfs/dbraw/zinc/97/08/55/1064970855.db2.gz QOIIMZIWTGRPFN-UHFFFAOYSA-N 1 0 453.034 4.522 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001360095689 1064970890 /nfs/dbraw/zinc/97/08/90/1064970890.db2.gz ONSXHNXQKGSHMB-VWLOTQADSA-N 1 0 459.704 4.537 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001360095881 1064971644 /nfs/dbraw/zinc/97/16/44/1064971644.db2.gz SNQWXUVFGJHHLF-SANMLTNESA-N 1 0 485.673 4.534 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360095903 1064971771 /nfs/dbraw/zinc/97/17/71/1064971771.db2.gz TVYBKIKBBGTLOD-UHFFFAOYSA-N 1 0 482.717 4.804 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001360097310 1064973702 /nfs/dbraw/zinc/97/37/02/1064973702.db2.gz COHWZXDTSZNIQR-LEWJYISDSA-N 1 0 494.453 4.725 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccc3cccnc32)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001360098203 1064977222 /nfs/dbraw/zinc/97/72/22/1064977222.db2.gz KEKKUUKIHPJOAQ-UHFFFAOYSA-N 1 0 464.017 4.908 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001360098522 1064977807 /nfs/dbraw/zinc/97/78/07/1064977807.db2.gz WHKPNCGBHQYVLS-QFIPXVFZSA-N 1 0 488.558 4.667 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001360098381 1064978117 /nfs/dbraw/zinc/97/81/17/1064978117.db2.gz PUJWHFOIIBLRSI-NRFANRHFSA-N 1 0 476.547 4.600 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360098654 1064978199 /nfs/dbraw/zinc/97/81/99/1064978199.db2.gz XVZCVWYACPPRMA-BGYRXZFFSA-N 1 0 471.600 4.589 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC1CC1)C1CCC1 ZINC001360100486 1064980028 /nfs/dbraw/zinc/98/00/28/1064980028.db2.gz NPBXOVKZBJOWBJ-UHFFFAOYSA-N 1 0 488.721 4.892 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001360101335 1064981040 /nfs/dbraw/zinc/98/10/40/1064981040.db2.gz LIAWWZXGDZCBKJ-OAQYLSRUSA-N 1 0 466.045 4.967 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001360101741 1064981813 /nfs/dbraw/zinc/98/18/13/1064981813.db2.gz YVWUEBDOGVMIHU-SFHVURJKSA-N 1 0 480.103 4.954 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 ZINC001360101692 1064981897 /nfs/dbraw/zinc/98/18/97/1064981897.db2.gz XXDZORKCUKLNGF-IBGZPJMESA-N 1 0 463.964 4.773 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(Br)cc1 ZINC001360103344 1064983002 /nfs/dbraw/zinc/98/30/02/1064983002.db2.gz ILMCAEXYOPILCV-SFHVURJKSA-N 1 0 494.388 4.958 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360104003 1064985038 /nfs/dbraw/zinc/98/50/38/1064985038.db2.gz GVFMGRIOLGWNES-MRXNPFEDSA-N 1 0 456.379 4.529 20 0 JJADRO O=C(Cc1csc(CCC(F)(F)F)n1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001435773130 1064986130 /nfs/dbraw/zinc/98/61/30/1064986130.db2.gz ARJZWASNZQDQSY-UHFFFAOYSA-N 1 0 451.558 4.695 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001435775730 1064986737 /nfs/dbraw/zinc/98/67/37/1064986737.db2.gz NGXAJWSIHKKDQZ-UHFFFAOYSA-N 1 0 450.583 4.557 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360107032 1064988853 /nfs/dbraw/zinc/98/88/53/1064988853.db2.gz ZUPZGDOCSXBAKU-QGZVFWFLSA-N 1 0 464.427 4.979 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C1CCC1 ZINC001360109589 1064991351 /nfs/dbraw/zinc/99/13/51/1064991351.db2.gz IBYWQDPIXXHHBS-YADHBBJMSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(Br)cs1 ZINC001360109944 1064991889 /nfs/dbraw/zinc/99/18/89/1064991889.db2.gz HRIUUUJBMVWCHE-UHFFFAOYSA-N 1 0 480.451 4.809 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001360112498 1064994091 /nfs/dbraw/zinc/99/40/91/1064994091.db2.gz GBYONBKJLMKMSU-VWLOTQADSA-N 1 0 483.701 4.890 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001360113248 1064994775 /nfs/dbraw/zinc/99/47/75/1064994775.db2.gz UMDAYGDSCNKHLA-XLIONFOSSA-N 1 0 482.456 4.509 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001360113348 1064995606 /nfs/dbraw/zinc/99/56/06/1064995606.db2.gz XTCFNWUCCCOHKL-AREMUKBSSA-N 1 0 471.715 4.828 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCCC1 ZINC001360120690 1065008438 /nfs/dbraw/zinc/00/84/38/1065008438.db2.gz CYPMVWMWGIXYOG-UHFFFAOYSA-N 1 0 477.476 4.998 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360121102 1065009154 /nfs/dbraw/zinc/00/91/54/1065009154.db2.gz KIEGFBJAICMDKM-IBGZPJMESA-N 1 0 495.678 4.766 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(-c2cnccn2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360122363 1065011308 /nfs/dbraw/zinc/01/13/08/1065011308.db2.gz DYJBFBUYSVUMKP-UHFFFAOYSA-N 1 0 453.660 4.866 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360123793 1065015344 /nfs/dbraw/zinc/01/53/44/1065015344.db2.gz NOBHOGCZUWTDMT-XMMPIXPASA-N 1 0 489.686 4.910 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CCC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1)C(C)C ZINC001360125188 1065017092 /nfs/dbraw/zinc/01/70/92/1065017092.db2.gz BNILMOCKPCGSMO-UHFFFAOYSA-N 1 0 480.701 4.796 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCSCC1)C(C)C ZINC001360125412 1065017677 /nfs/dbraw/zinc/01/76/77/1065017677.db2.gz JTDKIZQEVDCGNS-UHFFFAOYSA-N 1 0 454.644 4.662 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2Cl)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001360125438 1065017710 /nfs/dbraw/zinc/01/77/10/1065017710.db2.gz KJPSIVSQFYBMNH-HXUWFJFHSA-N 1 0 496.121 4.511 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC001360125379 1065017721 /nfs/dbraw/zinc/01/77/21/1065017721.db2.gz IRKPZWRRKNOJLE-DEOSSOPVSA-N 1 0 468.621 4.510 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1)C(C)C ZINC001360125344 1065017850 /nfs/dbraw/zinc/01/78/50/1065017850.db2.gz HFEMEYZQRKJKFC-DEOSSOPVSA-N 1 0 457.638 4.754 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)C(C)C ZINC001360125480 1065018243 /nfs/dbraw/zinc/01/82/43/1065018243.db2.gz LIRZWVFOJPDEKG-QHCPKHFHSA-N 1 0 472.584 4.638 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1)C(C)C ZINC001360125746 1065018764 /nfs/dbraw/zinc/01/87/64/1065018764.db2.gz UVFQAAHCULHGRY-UHFFFAOYSA-N 1 0 498.622 4.615 20 0 JJADRO CC(C)[NH+](CCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1)C(C)C ZINC001360125979 1065019306 /nfs/dbraw/zinc/01/93/06/1065019306.db2.gz BXEBRAJKYLHILD-UHFFFAOYSA-N 1 0 474.738 4.605 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21)C(C)C ZINC001360126333 1065019786 /nfs/dbraw/zinc/01/97/86/1065019786.db2.gz NZOOLEPWBOSVMM-LUKWVAJMSA-N 1 0 488.721 4.937 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C(C)C ZINC001360126438 1065020274 /nfs/dbraw/zinc/02/02/74/1065020274.db2.gz QTKSYUCJIGEXKP-HSZRJFAPSA-N 1 0 456.679 4.557 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2CCCO2)CC1)C(C)C ZINC001360126463 1065020388 /nfs/dbraw/zinc/02/03/88/1065020388.db2.gz RIXXPAAFXVATMI-VWLOTQADSA-N 1 0 471.665 4.912 20 0 JJADRO CC(C)[NH+](CCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](c2ccnn2C)C1)C(C)C ZINC001360126504 1065020777 /nfs/dbraw/zinc/02/07/77/1065020777.db2.gz STEUYGGKJLWDIQ-HSZRJFAPSA-N 1 0 455.695 4.637 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccco2)C1)C(C)C ZINC001360128188 1065022201 /nfs/dbraw/zinc/02/22/01/1065022201.db2.gz CUCFTMLHYMEEDT-SFHVURJKSA-N 1 0 489.462 4.752 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(F)ccc2Br)nnc1N1CC=CCC1)C(C)C ZINC001360128700 1065023081 /nfs/dbraw/zinc/02/30/81/1065023081.db2.gz MBZPYROVSMVGSX-UHFFFAOYSA-N 1 0 450.400 4.732 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1)C(C)C ZINC001360128776 1065023679 /nfs/dbraw/zinc/02/36/79/1065023679.db2.gz IYKRVCBTRPNNMY-XMMPIXPASA-N 1 0 466.674 4.807 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCOC[C@@H](C2CCC2)C1)C(C)C ZINC001360128799 1065023728 /nfs/dbraw/zinc/02/37/28/1065023728.db2.gz NQVJVGSQLNXEPC-QFIPXVFZSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2CCC[C@H]21)C(C)C ZINC001360129256 1065024986 /nfs/dbraw/zinc/02/49/86/1065024986.db2.gz TWDHAVKIZZEVRM-IEBWSBKVSA-N 1 0 463.468 4.544 20 0 JJADRO Cc1cc(Br)c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC001435854285 1065025616 /nfs/dbraw/zinc/02/56/16/1065025616.db2.gz ZRJFMXVOAHRHCW-KGLIPLIRSA-N 1 0 458.238 4.903 20 0 JJADRO COC(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1 ZINC001435854399 1065026177 /nfs/dbraw/zinc/02/61/77/1065026177.db2.gz FUCRZRTZRWYUSD-HXUWFJFHSA-N 1 0 450.913 4.750 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C(C)C ZINC001360132575 1065027104 /nfs/dbraw/zinc/02/71/04/1065027104.db2.gz JNCBADLGNKQSRD-IBGZPJMESA-N 1 0 467.584 4.721 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1)C(C)C ZINC001360132048 1065027334 /nfs/dbraw/zinc/02/73/34/1065027334.db2.gz FRYRPMWELXQMOS-TWJOJJKGSA-N 1 0 483.701 4.895 20 0 JJADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC001435856681 1065027675 /nfs/dbraw/zinc/02/76/75/1065027675.db2.gz UQHFPYFRPSOCHX-QHCPKHFHSA-N 1 0 456.512 4.944 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C ZINC001360133229 1065028261 /nfs/dbraw/zinc/02/82/61/1065028261.db2.gz PZLIGLJMBHSXSB-MRXNPFEDSA-N 1 0 485.517 4.960 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)C(C)C ZINC001360133436 1065028803 /nfs/dbraw/zinc/02/88/03/1065028803.db2.gz RXIMSFTYXCYWDM-YADHBBJMSA-N 1 0 460.066 4.504 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2)C1)C(C)C ZINC001360134013 1065029680 /nfs/dbraw/zinc/02/96/80/1065029680.db2.gz BNJONEKMWPXTQW-QHCPKHFHSA-N 1 0 453.656 4.627 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccccc2)C1)C(C)C ZINC001360134012 1065029728 /nfs/dbraw/zinc/02/97/28/1065029728.db2.gz BNJONEKMWPXTQW-HSZRJFAPSA-N 1 0 453.656 4.627 20 0 JJADRO CC(C)[NH+](CCn1c(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nnc1C(C)(C)C)C(C)C ZINC001360134184 1065029905 /nfs/dbraw/zinc/02/99/05/1065029905.db2.gz GVYDMLMCOSHOPR-UHFFFAOYSA-N 1 0 490.096 4.598 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccsc1)C(C)C ZINC001360134023 1065029936 /nfs/dbraw/zinc/02/99/36/1065029936.db2.gz BWXZJAICEUJGBJ-OYRHEFFESA-N 1 0 490.718 4.866 20 0 JJADRO CC(C)[NH+](CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1)C(C)C ZINC001360134998 1065031117 /nfs/dbraw/zinc/03/11/17/1065031117.db2.gz QLZVLIWYTUAGDV-NRFANRHFSA-N 1 0 475.653 4.899 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1Cc1cccs1)C(C)C ZINC001360134760 1065031248 /nfs/dbraw/zinc/03/12/48/1065031248.db2.gz OGUSMISNWFHKIO-JOCHJYFZSA-N 1 0 452.672 4.656 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cccs2)CC1 ZINC001360136212 1065032169 /nfs/dbraw/zinc/03/21/69/1065032169.db2.gz CDFAJRNFZFVPDN-UHFFFAOYSA-N 1 0 460.047 4.532 20 0 JJADRO Cc1ccc(-c2ncc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CCN(C)CC3)s2)c(C)c1 ZINC001435864875 1065032315 /nfs/dbraw/zinc/03/23/15/1065032315.db2.gz GWPITCHMPOMTIS-PKTZIBPZSA-N 1 0 454.684 4.836 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CCCC3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001360136813 1065032529 /nfs/dbraw/zinc/03/25/29/1065032529.db2.gz QMPCRRQFAONADQ-SFHVURJKSA-N 1 0 461.601 4.647 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(C)(C)C)CC1 ZINC001360136509 1065032705 /nfs/dbraw/zinc/03/27/05/1065032705.db2.gz GLTXFIWUHLZCRE-UHFFFAOYSA-N 1 0 496.469 4.564 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001360137348 1065033088 /nfs/dbraw/zinc/03/30/88/1065033088.db2.gz WJKWNIRRNRRWPT-SFHVURJKSA-N 1 0 489.636 4.641 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2cc(Cl)ccn2)CC1 ZINC001360137784 1065033653 /nfs/dbraw/zinc/03/36/53/1065033653.db2.gz YEUGCFGJHMZMAY-UHFFFAOYSA-N 1 0 489.451 4.519 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccsc2)C1 ZINC001360138102 1065034077 /nfs/dbraw/zinc/03/40/77/1065034077.db2.gz ARMUQOJHZHTRPL-QGZVFWFLSA-N 1 0 491.503 4.864 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CC=CCC2)C1 ZINC001360139148 1065035499 /nfs/dbraw/zinc/03/54/99/1065035499.db2.gz NWJJQLHZDFBAHZ-GOTSBHOMSA-N 1 0 499.103 4.774 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001360139313 1065035574 /nfs/dbraw/zinc/03/55/74/1065035574.db2.gz PXFOFMFNJYCFDV-OALUTQOASA-N 1 0 499.025 4.792 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCC(F)(F)C2)C1 ZINC001360139246 1065035601 /nfs/dbraw/zinc/03/56/01/1065035601.db2.gz PLKKRFREJCAXQY-MRXNPFEDSA-N 1 0 468.390 4.673 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCCCCCC2)C1 ZINC001360139850 1065036610 /nfs/dbraw/zinc/03/66/10/1065036610.db2.gz VMNKRMVZHMFEIM-LJQANCHMSA-N 1 0 477.495 4.937 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001360140209 1065036635 /nfs/dbraw/zinc/03/66/35/1065036635.db2.gz ZHHLHTKGZHVNFH-OAHLLOKOSA-N 1 0 467.565 4.505 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001360140185 1065036952 /nfs/dbraw/zinc/03/69/52/1065036952.db2.gz YXZDCODROHLALQ-HXUWFJFHSA-N 1 0 472.584 4.642 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(N(C)Cc3cc4c(cc3OC(F)F)OCO4)nnc2C(C)(C)C)C1 ZINC001360140294 1065037556 /nfs/dbraw/zinc/03/75/56/1065037556.db2.gz BMAJWPNCMRALRY-KRWDZBQOSA-N 1 0 493.599 4.663 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccccc2F)C1 ZINC001360140717 1065038963 /nfs/dbraw/zinc/03/89/63/1065038963.db2.gz JEVYVUJOTJILGO-RBBKRZOGSA-N 1 0 450.606 4.721 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(F)cc2F)C1 ZINC001360140886 1065038989 /nfs/dbraw/zinc/03/89/89/1065038989.db2.gz KJSVTWVAKHFWCR-IBGZPJMESA-N 1 0 459.610 4.965 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001360141084 1065039498 /nfs/dbraw/zinc/03/94/98/1065039498.db2.gz MAYDFRHWEPOKRR-KDYSTLNUSA-N 1 0 471.665 4.770 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H](COc3ccccc3)C2)C1 ZINC001360141367 1065039821 /nfs/dbraw/zinc/03/98/21/1065039821.db2.gz ONWOWJMCEOTHTP-GOTSBHOMSA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001360141416 1065040302 /nfs/dbraw/zinc/04/03/02/1065040302.db2.gz OWTXHQXISJKFPS-NRFANRHFSA-N 1 0 490.737 4.823 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCCCc2ccccc2)C1 ZINC001360141632 1065041098 /nfs/dbraw/zinc/04/10/98/1065041098.db2.gz QYBJIYVWSUGGIR-DQEYMECFSA-N 1 0 453.675 4.752 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)C1 ZINC001360141915 1065041241 /nfs/dbraw/zinc/04/12/41/1065041241.db2.gz STZZKTHOXIKTNV-PZJWPPBQSA-N 1 0 468.596 4.860 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001360141967 1065041621 /nfs/dbraw/zinc/04/16/21/1065041621.db2.gz UDIDEKLSQNKZIF-WMZHIEFXSA-N 1 0 499.647 4.581 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001360143996 1065045100 /nfs/dbraw/zinc/04/51/00/1065045100.db2.gz QTJAITRPEKAAJO-HXOBKFHXSA-N 1 0 466.457 4.724 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001360144001 1065045329 /nfs/dbraw/zinc/04/53/29/1065045329.db2.gz QTJAITRPEKAAJO-UZUQRXQVSA-N 1 0 466.457 4.724 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3c[nH]c4ccccc43)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360144244 1065046192 /nfs/dbraw/zinc/04/61/92/1065046192.db2.gz CHCWGGXODRYSSP-UHFFFAOYSA-N 1 0 495.672 4.604 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2CCc2csc(-c3ccccc3)n2)CC1 ZINC001360144236 1065046324 /nfs/dbraw/zinc/04/63/24/1065046324.db2.gz XKJITPABUZNUMM-UHFFFAOYSA-N 1 0 452.672 4.862 20 0 JJADRO COc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc(Cl)c1OCC(C)C ZINC001360147703 1065050815 /nfs/dbraw/zinc/05/08/15/1065050815.db2.gz FNTPIIUSSYTJMB-UHFFFAOYSA-N 1 0 455.064 4.865 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(C)CC2)CC1 ZINC001360149397 1065052329 /nfs/dbraw/zinc/05/23/29/1065052329.db2.gz MXFYMRLWPSLZMN-UHFFFAOYSA-N 1 0 450.400 4.567 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)Cc1cc(OC)ccc1Br ZINC001435900166 1065052776 /nfs/dbraw/zinc/05/27/76/1065052776.db2.gz FHEPWCLIOVUBPK-DENIHFKCSA-N 1 0 459.428 4.964 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCSC2)CC1 ZINC001360149497 1065053280 /nfs/dbraw/zinc/05/32/80/1065053280.db2.gz RCHHYXQKVXYVKR-INIZCTEOSA-N 1 0 454.471 4.926 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(Br)c3)CCCC2)[C@@H](C)C1 ZINC001360150462 1065053894 /nfs/dbraw/zinc/05/38/94/1065053894.db2.gz CPGFMFYLUZFIIS-GHTZIAJQSA-N 1 0 451.449 4.514 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)[C@H](C)C1 ZINC001360150784 1065054667 /nfs/dbraw/zinc/05/46/67/1065054667.db2.gz LRFNWPYOXFLICR-DYESRHJHSA-N 1 0 452.039 4.582 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2sc3ccc(Br)cc3c2C)[C@@H](C)C1 ZINC001360151123 1065054995 /nfs/dbraw/zinc/05/49/95/1065054995.db2.gz RXGGDJBFDXGFBY-KSSFIOAISA-N 1 0 453.446 4.839 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)[C@@H](C)C1 ZINC001360151024 1065055053 /nfs/dbraw/zinc/05/50/53/1065055053.db2.gz PSUVXLOKQQIBRT-YJBOKZPZSA-N 1 0 455.546 4.696 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(Cl)s2)CC1 ZINC001360152410 1065055621 /nfs/dbraw/zinc/05/56/21/1065055621.db2.gz KUQBQJQYNVMSKW-UHFFFAOYSA-N 1 0 450.439 4.816 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(C(C)(C)C)n3CCc3ccc(Cl)s3)CC2)CC1 ZINC001360156188 1065057893 /nfs/dbraw/zinc/05/78/93/1065057893.db2.gz TYLNAFSXOIFVEW-UHFFFAOYSA-N 1 0 479.138 4.528 20 0 JJADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360161713 1065060847 /nfs/dbraw/zinc/06/08/47/1065060847.db2.gz GEUYNAVUQMFZGM-LJQANCHMSA-N 1 0 466.630 4.624 20 0 JJADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001360162272 1065061342 /nfs/dbraw/zinc/06/13/42/1065061342.db2.gz LPBAODDFHRTNCC-HXUWFJFHSA-N 1 0 480.682 4.587 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC001360182483 1065069327 /nfs/dbraw/zinc/06/93/27/1065069327.db2.gz SYAOVYLPWUZVOH-MDWZMJQESA-N 1 0 455.986 4.558 20 0 JJADRO CC(C)NC(=O)c1nnc(N(Cc2ccco2)C(C)C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001360183158 1065070097 /nfs/dbraw/zinc/07/00/97/1065070097.db2.gz PQHKMQAIRRDAGK-DEOSSOPVSA-N 1 0 492.668 4.727 20 0 JJADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(I)ccc2C)cc1 ZINC001435934243 1065070814 /nfs/dbraw/zinc/07/08/14/1065070814.db2.gz WIXFJMYEYRHCPG-UHFFFAOYSA-N 1 0 452.336 4.573 20 0 JJADRO Cc1sc2ncnc(N3CCC(C(=O)NC(C)(C)CC[NH+]4CCCCCC4)CC3)c2c1C ZINC001435945895 1065076134 /nfs/dbraw/zinc/07/61/34/1065076134.db2.gz HJEUTUWYFWQAFR-UHFFFAOYSA-N 1 0 457.688 4.685 20 0 JJADRO C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)C1 ZINC001360216129 1065084137 /nfs/dbraw/zinc/08/41/37/1065084137.db2.gz BDFWCVUMDREVGT-YKSBVNFPSA-N 1 0 458.647 4.997 20 0 JJADRO CCCCN(CC)c1ccc(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)cc1 ZINC001360217027 1065085223 /nfs/dbraw/zinc/08/52/23/1065085223.db2.gz SWLLODJVFQOXTJ-UHFFFAOYSA-N 1 0 451.615 4.781 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C1CC(C(C)(C)C)C1 ZINC001360221527 1065086517 /nfs/dbraw/zinc/08/65/17/1065086517.db2.gz AOZXQSRPGFGQON-HWELCPFYSA-N 1 0 458.695 4.506 20 0 JJADRO CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCCCCC[C@@H]3NC(=O)OC(C)(C)C)c2)CC1 ZINC001435975760 1065088724 /nfs/dbraw/zinc/08/87/24/1065088724.db2.gz MEKZCJFKVXOQSA-GOTSBHOMSA-N 1 0 458.647 4.631 20 0 JJADRO Cc1csc(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1I ZINC001435993169 1065097707 /nfs/dbraw/zinc/09/77/07/1065097707.db2.gz BIDXHXNNPQTZKY-MRXNPFEDSA-N 1 0 456.393 4.548 20 0 JJADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cc1 ZINC001360256935 1065102934 /nfs/dbraw/zinc/10/29/34/1065102934.db2.gz IIHBUAARJNGGNR-FCHUYYIVSA-N 1 0 457.521 4.845 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC001436012151 1065109199 /nfs/dbraw/zinc/10/91/99/1065109199.db2.gz NXGDYKXZMODCNC-UHFFFAOYSA-N 1 0 453.480 4.698 20 0 JJADRO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001436013869 1065112277 /nfs/dbraw/zinc/11/22/77/1065112277.db2.gz ALQNPXWWRBOHRL-HXUWFJFHSA-N 1 0 451.592 4.932 20 0 JJADRO Cc1cc(CSc2ncccc2C(=O)NCc2ccccc2C[NH+]2CCCCCC2)no1 ZINC001360282833 1065122951 /nfs/dbraw/zinc/12/29/51/1065122951.db2.gz AKZLCQKDLVHDFK-UHFFFAOYSA-N 1 0 450.608 4.976 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001360304607 1065137931 /nfs/dbraw/zinc/13/79/31/1065137931.db2.gz CFOURINLLQVZSH-SJORKVTESA-N 1 0 494.453 4.629 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NC2CCCCC2)CC1 ZINC001360304734 1065138076 /nfs/dbraw/zinc/13/80/76/1065138076.db2.gz DDQUYIOJOFWBEZ-UHFFFAOYSA-N 1 0 480.701 4.658 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)s3)n2CCOC(C)(C)C)CC1 ZINC001360304903 1065138570 /nfs/dbraw/zinc/13/85/70/1065138570.db2.gz GAXOPFLEXXYQQR-UHFFFAOYSA-N 1 0 470.481 4.551 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2nccs2)CC1 ZINC001360305334 1065139943 /nfs/dbraw/zinc/13/99/43/1065139943.db2.gz NAWCHNYYEWAVJQ-UHFFFAOYSA-N 1 0 495.878 4.833 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001360305217 1065139974 /nfs/dbraw/zinc/13/99/74/1065139974.db2.gz KRVXQJAKPABFCM-JOCHJYFZSA-N 1 0 496.519 4.677 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001360305542 1065140810 /nfs/dbraw/zinc/14/08/10/1065140810.db2.gz UUAAYMGFLLTELL-RXVVDRJESA-N 1 0 461.054 4.556 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001360305655 1065141192 /nfs/dbraw/zinc/14/11/92/1065141192.db2.gz YZGQOMPJCYXSHL-UHFFFAOYSA-N 1 0 491.471 4.614 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cc(Br)cs2)CC1 ZINC001360308379 1065143763 /nfs/dbraw/zinc/14/37/63/1065143763.db2.gz GGIMAFIJFUZVOF-UHFFFAOYSA-N 1 0 492.462 4.847 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC001360310001 1065146413 /nfs/dbraw/zinc/14/64/13/1065146413.db2.gz VHEZRNZOODGVQV-UHFFFAOYSA-N 1 0 454.663 4.598 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360310057 1065146522 /nfs/dbraw/zinc/14/65/22/1065146522.db2.gz XMIKVAXOFIUVLN-ATIYNZHBSA-N 1 0 483.701 4.708 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001360310082 1065147232 /nfs/dbraw/zinc/14/72/32/1065147232.db2.gz YHLPFAKBNYFLQX-UHFFFAOYSA-N 1 0 479.591 4.967 20 0 JJADRO COc1ccc(-c2nc(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)cs2)cc1OC ZINC001360314440 1065149374 /nfs/dbraw/zinc/14/93/74/1065149374.db2.gz IYWGYHBMDXMLHO-QGZVFWFLSA-N 1 0 451.592 4.783 20 0 JJADRO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1nc(C(F)(F)F)cs1 ZINC001436056779 1065149339 /nfs/dbraw/zinc/14/93/39/1065149339.db2.gz SSJVUGDFWVUBAJ-SJKOYZFVSA-N 1 0 451.436 4.794 20 0 JJADRO Cc1ccc(SC2CCCC2)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC001360313990 1065149415 /nfs/dbraw/zinc/14/94/15/1065149415.db2.gz YEKAMVVLEGPVRM-FQEVSTJZSA-N 1 0 451.636 4.979 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 ZINC001360314795 1065149871 /nfs/dbraw/zinc/14/98/71/1065149871.db2.gz UEFAYROCLXPXQV-OFNKIYASSA-N 1 0 455.643 4.756 20 0 JJADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)CCc2cc(Br)cs2)CC1 ZINC001436059657 1065151238 /nfs/dbraw/zinc/15/12/38/1065151238.db2.gz CXBJFXFIVBDJNM-UHFFFAOYSA-N 1 0 450.446 4.860 20 0 JJADRO COc1ccc(Cl)cc1C(F)(F)C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC001436060788 1065152729 /nfs/dbraw/zinc/15/27/29/1065152729.db2.gz VGBFUTBYMVJWPL-UHFFFAOYSA-N 1 0 451.945 4.857 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001360320325 1065156317 /nfs/dbraw/zinc/15/63/17/1065156317.db2.gz WSIVCKCNNBEGSY-KDYSTLNUSA-N 1 0 487.664 4.920 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3cccs3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360324583 1065164254 /nfs/dbraw/zinc/16/42/54/1065164254.db2.gz QMMSYCBHQIMENV-DHLKQENFSA-N 1 0 475.703 4.527 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360325509 1065167530 /nfs/dbraw/zinc/16/75/30/1065167530.db2.gz HFGIJHHEIVTWBS-RWCIVJTCSA-N 1 0 473.706 4.622 20 0 JJADRO COc1ccc(-c2cc(NC(=O)c3ccnc(OCC[NH+](C)C)c3)ccc2OC(F)F)cc1 ZINC001436092534 1065174855 /nfs/dbraw/zinc/17/48/55/1065174855.db2.gz MMQFGBYXSXCGKD-UHFFFAOYSA-N 1 0 457.477 4.551 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC(C(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCOC1 ZINC001360336113 1065184021 /nfs/dbraw/zinc/18/40/21/1065184021.db2.gz NJCKCPOCFIQKQF-WNCULLNHSA-N 1 0 475.722 4.846 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2CCC(C)(F)F)CCOC1 ZINC001360338290 1065186987 /nfs/dbraw/zinc/18/69/87/1065186987.db2.gz ATKGQNWKPWGJFG-RLWLMLJZSA-N 1 0 497.675 4.845 20 0 JJADRO Cc1cccn2cc(COc3ccccc3C(=O)Nc3cccc(OCCC[NH+](C)C)c3)nc12 ZINC001360340423 1065189438 /nfs/dbraw/zinc/18/94/38/1065189438.db2.gz SAPYZUGQVUEZPH-UHFFFAOYSA-N 1 0 458.562 4.805 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCCCCCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001360345706 1065195089 /nfs/dbraw/zinc/19/50/89/1065195089.db2.gz MTNYQHGXFRMALG-ZEQKJWHPSA-N 1 0 473.637 4.531 20 0 JJADRO Cc1c2cc(Br)ccc2oc1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360354679 1065203804 /nfs/dbraw/zinc/20/38/04/1065203804.db2.gz AOXCUYAZGHUONY-UHFFFAOYSA-N 1 0 451.430 4.985 20 0 JJADRO CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC001360358147 1065210416 /nfs/dbraw/zinc/21/04/16/1065210416.db2.gz YOCLOQHXNDBCKX-UHFFFAOYSA-N 1 0 483.701 4.783 20 0 JJADRO CC(C)Oc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC001360359594 1065212086 /nfs/dbraw/zinc/21/20/86/1065212086.db2.gz GGXBXCKFBFWRCG-XMMPIXPASA-N 1 0 455.647 4.522 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001360360281 1065213729 /nfs/dbraw/zinc/21/37/29/1065213729.db2.gz SAEFAOKZOAXMLN-NOZRDPDXSA-N 1 0 469.674 4.716 20 0 JJADRO CC(C)Oc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360362527 1065218212 /nfs/dbraw/zinc/21/82/12/1065218212.db2.gz SGNHXYIOVJRSMF-ISKFKSNPSA-N 1 0 483.701 4.953 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001360363814 1065219910 /nfs/dbraw/zinc/21/99/10/1065219910.db2.gz FBZGPLCXFIUHRX-UHFFFAOYSA-N 1 0 496.483 4.757 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001360364696 1065222207 /nfs/dbraw/zinc/22/22/07/1065222207.db2.gz QKTUZGMQBJSUNT-UHFFFAOYSA-N 1 0 495.510 4.938 20 0 JJADRO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC001360367351 1065226129 /nfs/dbraw/zinc/22/61/29/1065226129.db2.gz HERZQYQYALSWOD-VJTSUQJLSA-N 1 0 483.701 4.507 20 0 JJADRO CC(C)OC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360368132 1065227601 /nfs/dbraw/zinc/22/76/01/1065227601.db2.gz UNDMGLRPBRYQKP-QPTUXGOLSA-N 1 0 475.722 4.855 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC001436175698 1065230338 /nfs/dbraw/zinc/23/03/38/1065230338.db2.gz IUQUPTRKOSXNAR-UHFFFAOYSA-N 1 0 454.958 4.585 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC001436196723 1065244181 /nfs/dbraw/zinc/24/41/81/1065244181.db2.gz QDTWBGPTYBQISI-UHFFFAOYSA-N 1 0 459.546 4.690 20 0 JJADRO CC(C)OCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001360383333 1065245735 /nfs/dbraw/zinc/24/57/35/1065245735.db2.gz QIYYUJLEQQMCHZ-IFMALSPDSA-N 1 0 476.065 4.951 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001360384029 1065246774 /nfs/dbraw/zinc/24/67/74/1065246774.db2.gz LIAYRLMVZZKXJY-UODIDJSMSA-N 1 0 477.649 4.726 20 0 JJADRO CC(C)OCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001360385355 1065247990 /nfs/dbraw/zinc/24/79/90/1065247990.db2.gz CYQSWQOTSZXZHC-SFHVURJKSA-N 1 0 496.483 4.757 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)c1ccc(Cl)cc1 ZINC001436203030 1065248868 /nfs/dbraw/zinc/24/88/68/1065248868.db2.gz USMOBRNWQJRSQF-QGZVFWFLSA-N 1 0 453.896 4.523 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)c1ccc(Cl)cc1 ZINC001436203028 1065248927 /nfs/dbraw/zinc/24/89/27/1065248927.db2.gz USMOBRNWQJRSQF-KRWDZBQOSA-N 1 0 453.896 4.523 20 0 JJADRO CC(C)OCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001360386994 1065251337 /nfs/dbraw/zinc/25/13/37/1065251337.db2.gz WOVUSAHHVDQYHV-JOCHJYFZSA-N 1 0 457.638 4.992 20 0 JJADRO O=C(CSCc1ccc(Br)cc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001436209693 1065252547 /nfs/dbraw/zinc/25/25/47/1065252547.db2.gz OKHJDGDRUGOXEH-HSZRJFAPSA-N 1 0 459.453 4.807 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001436210081 1065252965 /nfs/dbraw/zinc/25/29/65/1065252965.db2.gz UCPZDQSUVHOYPJ-DNQXCXABSA-N 1 0 451.611 4.720 20 0 JJADRO CC(C)OCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360393554 1065257184 /nfs/dbraw/zinc/25/71/84/1065257184.db2.gz PZHXRKCKNVHOAU-UHFFFAOYSA-N 1 0 471.690 4.890 20 0 JJADRO CC(C)OCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001360396556 1065261163 /nfs/dbraw/zinc/26/11/63/1065261163.db2.gz KGRZQKLYHNPKKT-FQEVSTJZSA-N 1 0 476.065 4.951 20 0 JJADRO CC(C)OCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001360398652 1065263297 /nfs/dbraw/zinc/26/32/97/1065263297.db2.gz HPTZUDJSNUSEEX-HXUWFJFHSA-N 1 0 469.033 4.519 20 0 JJADRO COc1ccc(-c2ccc(CNC(=O)c3cnn(CC[NH+](C)C)c3-c3ccccc3)cc2)cc1 ZINC001360398360 1065263394 /nfs/dbraw/zinc/26/33/94/1065263394.db2.gz VSAPGVRDGMVCMP-UHFFFAOYSA-N 1 0 454.574 4.717 20 0 JJADRO CC(C)OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001360407243 1065269672 /nfs/dbraw/zinc/26/96/72/1065269672.db2.gz KLRHUDLJHHYFBK-WXFUMESZSA-N 1 0 475.722 4.714 20 0 JJADRO Cc1cc(Cl)cc(Br)c1OC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC001436233814 1065270225 /nfs/dbraw/zinc/27/02/25/1065270225.db2.gz GDOXLPKIYJZSKT-DLBZAZTESA-N 1 0 454.796 4.564 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001360409740 1065272993 /nfs/dbraw/zinc/27/29/93/1065272993.db2.gz RVYGYGGVFGHLSD-CTNGQTDRSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001360409492 1065273300 /nfs/dbraw/zinc/27/33/00/1065273300.db2.gz JJULVOYOFHQJSR-LJQANCHMSA-N 1 0 497.034 4.756 20 0 JJADRO COc1cc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)ccc1Br ZINC001436256240 1065276826 /nfs/dbraw/zinc/27/68/26/1065276826.db2.gz ZJZRGBWSGRFMHP-UHFFFAOYSA-N 1 0 453.764 4.836 20 0 JJADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(F)c(Cl)c1F ZINC001436259702 1065278835 /nfs/dbraw/zinc/27/88/35/1065278835.db2.gz WPSSBHCTECAWAV-NSHDSACASA-N 1 0 458.734 4.773 20 0 JJADRO CC(C)SCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001360417188 1065281034 /nfs/dbraw/zinc/28/10/34/1065281034.db2.gz SPUCELVFUJFHEE-FQEVSTJZSA-N 1 0 478.504 4.914 20 0 JJADRO CC(C)SCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001360417483 1065281350 /nfs/dbraw/zinc/28/13/50/1065281350.db2.gz WZDFVJOFMJKQKD-LJQANCHMSA-N 1 0 471.074 4.846 20 0 JJADRO CC(C)SCCn1c(Cc2ccsc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001360422635 1065289101 /nfs/dbraw/zinc/28/91/01/1065289101.db2.gz GGJJSOFDYWYTRM-QFIPXVFZSA-N 1 0 455.697 4.783 20 0 JJADRO CC(C)SCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001360423555 1065291296 /nfs/dbraw/zinc/29/12/96/1065291296.db2.gz WOTQHYPODXVRIZ-RBBKRZOGSA-N 1 0 471.715 4.969 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)Cc3csc4ccc(Cl)cc34)CC2)cc1 ZINC001436314030 1065295120 /nfs/dbraw/zinc/29/51/20/1065295120.db2.gz CRUUUAVPQPOOJH-UHFFFAOYSA-N 1 0 456.011 4.836 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(C4SCCS4)cc3)CC2)cc1 ZINC001436318956 1065296245 /nfs/dbraw/zinc/29/62/45/1065296245.db2.gz YBLLHOLQWIXLNZ-UHFFFAOYSA-N 1 0 455.649 4.518 20 0 JJADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436336456 1065297463 /nfs/dbraw/zinc/29/74/63/1065297463.db2.gz OXPFWXFTGVVJNP-NZQKXSOJSA-N 1 0 457.659 4.639 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436337821 1065298265 /nfs/dbraw/zinc/29/82/65/1065298265.db2.gz XEZFIEVJGFSUSK-OFNKIYASSA-N 1 0 457.659 4.781 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001360428647 1065301415 /nfs/dbraw/zinc/30/14/15/1065301415.db2.gz NMUKIMJNYSBFON-QUCCMNQESA-N 1 0 463.617 4.579 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001360428646 1065301498 /nfs/dbraw/zinc/30/14/98/1065301498.db2.gz NMUKIMJNYSBFON-ICSRJNTNSA-N 1 0 463.617 4.579 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(C(C)(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001360429098 1065302739 /nfs/dbraw/zinc/30/27/39/1065302739.db2.gz RIWQKLUGCDLDDX-SFHVURJKSA-N 1 0 461.601 4.696 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@@H]3c3ccc(Cl)cc3F)CC2)cc1 ZINC001436369862 1065304471 /nfs/dbraw/zinc/30/44/71/1065304471.db2.gz SIJNFGWIGDUJIP-GGAORHGYSA-N 1 0 457.977 4.712 20 0 JJADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC001360433449 1065311940 /nfs/dbraw/zinc/31/19/40/1065311940.db2.gz ZXILUKCBBQCGIM-IBGZPJMESA-N 1 0 452.452 4.570 20 0 JJADRO C[C@@H](c1cc2ccccc2o1)N(C)c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001360433732 1065312631 /nfs/dbraw/zinc/31/26/31/1065312631.db2.gz WYEPPWXDLJTORP-IBGZPJMESA-N 1 0 453.631 4.921 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC2CCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360434118 1065313956 /nfs/dbraw/zinc/31/39/56/1065313956.db2.gz ZKOARTKZRTUYJA-MZNJEOGPSA-N 1 0 463.642 4.924 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC001436429373 1065317163 /nfs/dbraw/zinc/31/71/63/1065317163.db2.gz DUJLRBDFJVTTKE-BDYUSTAISA-N 1 0 450.623 4.660 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC1CCCCC1 ZINC001545898134 1065317956 /nfs/dbraw/zinc/31/79/56/1065317956.db2.gz NYYVFRNDNBWNDI-QHCPKHFHSA-N 1 0 472.722 4.725 20 0 JJADRO O=C(c1cccc(OC(F)F)c1)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001436450579 1065322070 /nfs/dbraw/zinc/32/20/70/1065322070.db2.gz RZJIYGLJJBNQFL-QHCPKHFHSA-N 1 0 451.517 4.990 20 0 JJADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360439634 1065322399 /nfs/dbraw/zinc/32/23/99/1065322399.db2.gz LAUFBNLTPGTWOY-FQEVSTJZSA-N 1 0 487.714 4.659 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360440491 1065324462 /nfs/dbraw/zinc/32/44/62/1065324462.db2.gz SMUJLOYENSBOOX-DDZWFJFGSA-N 1 0 494.690 4.639 20 0 JJADRO COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC001436464628 1065325154 /nfs/dbraw/zinc/32/51/54/1065325154.db2.gz FQCYNYXGFBSFCP-CLOONOSVSA-N 1 0 451.563 4.961 20 0 JJADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(C(C)(C)C)n1CC[NH+]1CCCCCC1 ZINC001360443665 1065329883 /nfs/dbraw/zinc/32/98/83/1065329883.db2.gz DMONTEIFVFOADI-HXUWFJFHSA-N 1 0 468.646 4.606 20 0 JJADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001360444010 1065330610 /nfs/dbraw/zinc/33/06/10/1065330610.db2.gz LFVQLSKQUNIDRQ-HXUWFJFHSA-N 1 0 482.673 4.895 20 0 JJADRO C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCCCC1 ZINC001360444380 1065331189 /nfs/dbraw/zinc/33/11/89/1065331189.db2.gz SNDBKMVYXBMOQY-QGZVFWFLSA-N 1 0 487.446 4.815 20 0 JJADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(CC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360444477 1065331949 /nfs/dbraw/zinc/33/19/49/1065331949.db2.gz VQAZYZLEDYTDKM-DENIHFKCSA-N 1 0 494.640 4.917 20 0 JJADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360445422 1065333174 /nfs/dbraw/zinc/33/31/74/1065333174.db2.gz BTJHDFNVWLAUEM-URXFXBBRSA-N 1 0 482.717 4.742 20 0 JJADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001436524306 1065342847 /nfs/dbraw/zinc/34/28/47/1065342847.db2.gz NMXMRJPPRYKJMI-UHFFFAOYSA-N 1 0 451.608 4.823 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001360450995 1065343221 /nfs/dbraw/zinc/34/32/21/1065343221.db2.gz UVAVXVVUINYQPY-GGAORHGYSA-N 1 0 482.673 4.686 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1([NH+](C)C)CCC1 ZINC001360451920 1065344884 /nfs/dbraw/zinc/34/48/84/1065344884.db2.gz CMAIIPKNWAWUPA-MRXNPFEDSA-N 1 0 489.437 4.867 20 0 JJADRO C[C@@H](c1ccccc1F)N(C)c1nnc(-c2cnccn2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360452581 1065346602 /nfs/dbraw/zinc/34/66/02/1065346602.db2.gz OIOBMLHDGFYKKR-IBGZPJMESA-N 1 0 451.594 4.726 20 0 JJADRO C[C@@H](c1ccccc1F)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360453923 1065349241 /nfs/dbraw/zinc/34/92/41/1065349241.db2.gz AYBXMAILQWOAFB-HQAQVQPGSA-N 1 0 457.638 4.873 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360453942 1065349251 /nfs/dbraw/zinc/34/92/51/1065349251.db2.gz BDHRMAYVYXNVQE-VBKZILBWSA-N 1 0 496.500 4.997 20 0 JJADRO C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360454176 1065350612 /nfs/dbraw/zinc/35/06/12/1065350612.db2.gz FBVGMKLLQRKVPG-FQEVSTJZSA-N 1 0 450.606 4.722 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCCCCC1 ZINC001360454365 1065351292 /nfs/dbraw/zinc/35/12/92/1065351292.db2.gz IISQBIMRCCQBHP-LJQANCHMSA-N 1 0 485.032 4.528 20 0 JJADRO C[C@@H](c1ccccc1F)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360454440 1065352157 /nfs/dbraw/zinc/35/21/57/1065352157.db2.gz JXYHGCOQJMOCJN-IBGZPJMESA-N 1 0 498.672 4.728 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001360455026 1065353999 /nfs/dbraw/zinc/35/39/99/1065353999.db2.gz XWQHZSIWLJAEMI-GOSISDBHSA-N 1 0 489.039 4.802 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccccc1F)C(C)C ZINC001360454948 1065354106 /nfs/dbraw/zinc/35/41/06/1065354106.db2.gz VYUUSYVNCRCELO-NRFANRHFSA-N 1 0 477.632 4.972 20 0 JJADRO COc1ccc(CCC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1Br ZINC001360455483 1065355436 /nfs/dbraw/zinc/35/54/36/1065355436.db2.gz MRLZLMXEQUEDAV-WIYYLYMNSA-N 1 0 459.428 4.902 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)c1ccco1)[N@H+](C)C1CC1 ZINC001360456612 1065356514 /nfs/dbraw/zinc/35/65/14/1065356514.db2.gz RSGDJVYKYCGRBA-CVEARBPZSA-N 1 0 458.404 4.981 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001360458890 1065358936 /nfs/dbraw/zinc/35/89/36/1065358936.db2.gz BBADMKFREREECB-HOFKKMOUSA-N 1 0 455.602 4.845 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001360458964 1065359455 /nfs/dbraw/zinc/35/94/55/1065359455.db2.gz CYLFYPVCJLUGRT-AUSIDOKSSA-N 1 0 459.428 4.520 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001360458965 1065359728 /nfs/dbraw/zinc/35/97/28/1065359728.db2.gz CYLFYPVCJLUGRT-CVDCTZTESA-N 1 0 459.428 4.520 20 0 JJADRO COc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OCCOC(C)C)c1 ZINC001360459148 1065360454 /nfs/dbraw/zinc/36/04/54/1065360454.db2.gz FWLHATJJYLASIW-GGAORHGYSA-N 1 0 454.611 4.624 20 0 JJADRO CCc1nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1-c1ccccc1Cl ZINC001360459512 1065361031 /nfs/dbraw/zinc/36/10/31/1065361031.db2.gz JNSFUMNJAMTYET-ICSRJNTNSA-N 1 0 452.002 4.608 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001360459952 1065361845 /nfs/dbraw/zinc/36/18/45/1065361845.db2.gz NNPUUGRUJFNVEA-NFBKMPQASA-N 1 0 451.611 4.836 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCCC1 ZINC001360460757 1065364048 /nfs/dbraw/zinc/36/40/48/1065364048.db2.gz GXIPFPDXEVQHBX-PMACEKPBSA-N 1 0 472.634 4.626 20 0 JJADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001436568112 1065369734 /nfs/dbraw/zinc/36/97/34/1065369734.db2.gz VBIQEMMXTWGDMV-CYBMUJFWSA-N 1 0 450.427 4.884 20 0 JJADRO Cc1sc2nc(C)nc(SCC(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@H]3C)c2c1C ZINC001360464755 1065373742 /nfs/dbraw/zinc/37/37/42/1065373742.db2.gz GOJOEOZEHDNIKN-MRXNPFEDSA-N 1 0 454.665 4.832 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(F)c2Br)c1 ZINC001436579944 1065378738 /nfs/dbraw/zinc/37/87/38/1065378738.db2.gz MXOOCXYJVFTXEP-UHFFFAOYSA-N 1 0 456.743 4.774 20 0 JJADRO C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001360467064 1065380346 /nfs/dbraw/zinc/38/03/46/1065380346.db2.gz RSSZEEOPINGLON-TUNNFDKTSA-N 1 0 475.703 4.568 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360467671 1065382258 /nfs/dbraw/zinc/38/22/58/1065382258.db2.gz XHOYKOVOBMHVAE-UZUQRXQVSA-N 1 0 475.659 4.692 20 0 JJADRO C[C@@H](SCc1ccccc1)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436606831 1065396095 /nfs/dbraw/zinc/39/60/95/1065396095.db2.gz ZXGMXMOVNQHXKR-HXUWFJFHSA-N 1 0 458.071 4.775 20 0 JJADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([NH+](C)C)CCCCC1 ZINC001360482817 1065402143 /nfs/dbraw/zinc/40/21/43/1065402143.db2.gz LIHYVIBYZJHFOL-MRXNPFEDSA-N 1 0 489.089 4.778 20 0 JJADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001360485670 1065405615 /nfs/dbraw/zinc/40/56/15/1065405615.db2.gz LZORBKUVDRGAMY-UGKGYDQZSA-N 1 0 494.709 4.841 20 0 JJADRO Cc1ccc(Br)nc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001436631023 1065408258 /nfs/dbraw/zinc/40/82/58/1065408258.db2.gz HEIRSFSZMCSUOL-LEWJYISDSA-N 1 0 468.370 4.690 20 0 JJADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001436634795 1065409840 /nfs/dbraw/zinc/40/98/40/1065409840.db2.gz KVXSKCXBOLBVIW-GOSISDBHSA-N 1 0 455.400 4.849 20 0 JJADRO C[C@H](Cc1cccs1)Cn1c(CC(C)(C)C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001360499917 1065420500 /nfs/dbraw/zinc/42/05/00/1065420500.db2.gz JLQRCXFPYYSZRH-OAQYLSRUSA-N 1 0 473.731 4.888 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360500753 1065423080 /nfs/dbraw/zinc/42/30/80/1065423080.db2.gz OITLLSMMTKMHMC-HXUWFJFHSA-N 1 0 471.646 4.857 20 0 JJADRO Cn1c2cc(Cl)c(Cl)cc2nc1NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC001436692069 1065424381 /nfs/dbraw/zinc/42/43/81/1065424381.db2.gz OSIOJKGUJLVMLH-UHFFFAOYSA-N 1 0 457.365 4.558 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360502866 1065429846 /nfs/dbraw/zinc/42/98/46/1065429846.db2.gz FCIGWZZGJZYKOM-ZFJSRUIDSA-N 1 0 467.614 4.579 20 0 JJADRO C[C@@H](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCCCC1 ZINC001360505559 1065441622 /nfs/dbraw/zinc/44/16/22/1065441622.db2.gz QPXHFKUJTSWFGC-DPLHUUCSSA-N 1 0 453.675 4.714 20 0 JJADRO C[C@@H](CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360505798 1065442401 /nfs/dbraw/zinc/44/24/01/1065442401.db2.gz VLIWPTDRTZAMFP-LPHOPBHVSA-N 1 0 471.955 4.631 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC001545901693 1065442590 /nfs/dbraw/zinc/44/25/90/1065442590.db2.gz UTXLZAAJDPYKIU-QGZVFWFLSA-N 1 0 457.478 4.527 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[NH+]1CCCCC1 ZINC001360509182 1065448999 /nfs/dbraw/zinc/44/89/99/1065448999.db2.gz OGLNLQRWLZNNPD-IRXDYDNUSA-N 1 0 486.608 4.896 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[NH+]1CCCCC1 ZINC001360509181 1065449091 /nfs/dbraw/zinc/44/90/91/1065449091.db2.gz OGLNLQRWLZNNPD-IAGOWNOFSA-N 1 0 486.608 4.896 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCOC2)nnc1N1CC=C(C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360509368 1065449629 /nfs/dbraw/zinc/44/96/29/1065449629.db2.gz RBTUDBNLTUIRNY-FYYLOGMGSA-N 1 0 451.659 4.875 20 0 JJADRO C[C@H](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)F)[NH+]1CCCCC1 ZINC001360509794 1065450703 /nfs/dbraw/zinc/45/07/03/1065450703.db2.gz XZXKIEOMDJBAEP-GOSISDBHSA-N 1 0 458.557 4.956 20 0 JJADRO C[C@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360510048 1065451545 /nfs/dbraw/zinc/45/15/45/1065451545.db2.gz CMSSJECLUSTISJ-XLIONFOSSA-N 1 0 485.982 4.554 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(-c2ccc(OC)cc2)cc1F ZINC001436849013 1065452238 /nfs/dbraw/zinc/45/22/38/1065452238.db2.gz VCVZADFGSRVORC-YIXXDRMTSA-N 1 0 462.565 4.768 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360510212 1065452366 /nfs/dbraw/zinc/45/23/66/1065452366.db2.gz GGQCXBHMTYJXCU-LEWJYISDSA-N 1 0 476.710 4.625 20 0 JJADRO C[C@@H](CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360510312 1065453349 /nfs/dbraw/zinc/45/33/49/1065453349.db2.gz HWEZVAVGZLEQAK-XUZZJYLKSA-N 1 0 496.700 4.635 20 0 JJADRO C[C@H](CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CO)CC1)[NH+]1CCCCC1 ZINC001360510346 1065453365 /nfs/dbraw/zinc/45/33/65/1065453365.db2.gz IRSDKHHBCKEPHB-JOCHJYFZSA-N 1 0 483.701 4.628 20 0 JJADRO C[C@H](CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360510313 1065453499 /nfs/dbraw/zinc/45/34/99/1065453499.db2.gz HWEZVAVGZLEQAK-ZJSXRUAMSA-N 1 0 496.700 4.635 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360510238 1065453548 /nfs/dbraw/zinc/45/35/48/1065453548.db2.gz GTABPNCVZDOSPE-LEWJYISDSA-N 1 0 450.606 4.865 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360510550 1065454416 /nfs/dbraw/zinc/45/44/16/1065454416.db2.gz NFNKUYUQOFUQBB-NRFANRHFSA-N 1 0 490.737 4.872 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001360511781 1065458188 /nfs/dbraw/zinc/45/81/88/1065458188.db2.gz ZVZWCRFTKUDOOB-LJQANCHMSA-N 1 0 481.607 4.671 20 0 JJADRO C[C@H](CCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360511741 1065458228 /nfs/dbraw/zinc/45/82/28/1065458228.db2.gz ZNAHAPHRVYTCRL-HXUWFJFHSA-N 1 0 480.623 4.561 20 0 JJADRO CCCOc1c(Br)cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1OC ZINC001436930304 1065473882 /nfs/dbraw/zinc/47/38/82/1065473882.db2.gz GGPYDURKJSGWRU-NQIIRXRSSA-N 1 0 473.411 4.593 20 0 JJADRO COc1ccc(-c2nc(C)sc2CC(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc1 ZINC001436951510 1065479193 /nfs/dbraw/zinc/47/91/93/1065479193.db2.gz AZQFNWSIKJKCAD-UHFFFAOYSA-N 1 0 456.637 4.921 20 0 JJADRO C[C@H](Cc1ccccc1Cl)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001436960641 1065481095 /nfs/dbraw/zinc/48/10/95/1065481095.db2.gz SHAXUWQPDJGVCE-OAHLLOKOSA-N 1 0 452.824 4.918 20 0 JJADRO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001436961563 1065481877 /nfs/dbraw/zinc/48/18/77/1065481877.db2.gz XSRHHDXIMSKPGH-CQSZACIVSA-N 1 0 454.796 4.506 20 0 JJADRO C[C@H](CN(C)c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCCC1)c1nccs1 ZINC001360518845 1065483682 /nfs/dbraw/zinc/48/36/82/1065483682.db2.gz FQQQYJADSJHAIX-OAHLLOKOSA-N 1 0 495.516 4.951 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001545903765 1065490944 /nfs/dbraw/zinc/49/09/44/1065490944.db2.gz HXSDVJRUQDBAFN-DENIHFKCSA-N 1 0 472.703 4.864 20 0 JJADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H](c1ccccc1)N1CCCCC1=O ZINC001437003837 1065492031 /nfs/dbraw/zinc/49/20/31/1065492031.db2.gz AAYDHCUNJMZRMY-VWLOTQADSA-N 1 0 451.636 4.957 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001360520375 1065492224 /nfs/dbraw/zinc/49/22/24/1065492224.db2.gz FNTYCDJTVIBFTC-IBGZPJMESA-N 1 0 463.655 4.858 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(OC)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001545904339 1065503534 /nfs/dbraw/zinc/50/35/34/1065503534.db2.gz SKIPTUAKBAMLST-BWKNWUBXSA-N 1 0 496.700 4.667 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCN(c2c(F)cccc2F)CC1)c1cccc(C(F)(F)F)c1 ZINC001437074150 1065506151 /nfs/dbraw/zinc/50/61/51/1065506151.db2.gz IUWZCGOJHIRMTL-FQEVSTJZSA-N 1 0 455.471 4.715 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCN(c2c(F)cccc2F)CC1)c1cccc(C(F)(F)F)c1 ZINC001437074155 1065506389 /nfs/dbraw/zinc/50/63/89/1065506389.db2.gz IUWZCGOJHIRMTL-HXUWFJFHSA-N 1 0 455.471 4.715 20 0 JJADRO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001545904928 1065509861 /nfs/dbraw/zinc/50/98/61/1065509861.db2.gz KDWMJZWYHJBBEZ-ACJLOTCBSA-N 1 0 450.423 4.578 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1nc(-c2cccnc2Cl)ns1 ZINC001437135600 1065511862 /nfs/dbraw/zinc/51/18/62/1065511862.db2.gz STLXQSXUBHQJBV-OAHLLOKOSA-N 1 0 457.987 4.759 20 0 JJADRO CC1CCC([NH+]2CCN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)CC2)CC1 ZINC001360532218 1065513892 /nfs/dbraw/zinc/51/38/92/1065513892.db2.gz RBGNKDANMUNHDB-UHFFFAOYSA-N 1 0 451.302 4.944 20 0 JJADRO C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001360535320 1065516721 /nfs/dbraw/zinc/51/67/21/1065516721.db2.gz BXHVCNNKOQHZCP-CYBMUJFWSA-N 1 0 475.437 4.963 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC(F)(F)F)CC1CC1)[N@H+](C)C1CC1 ZINC001360535871 1065517990 /nfs/dbraw/zinc/51/79/90/1065517990.db2.gz RMFDEOGQANXUQB-ZDUSSCGKSA-N 1 0 489.384 4.687 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1Cc1ccccc1)[NH+](C)C ZINC001360539836 1065523787 /nfs/dbraw/zinc/52/37/87/1065523787.db2.gz AZXMTSSKSXAXFW-SJLPKXTDSA-N 1 0 474.472 4.931 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC001360540556 1065525559 /nfs/dbraw/zinc/52/55/59/1065525559.db2.gz HGRAOTWFKYHICG-AEFFLSMTSA-N 1 0 490.471 4.515 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC001360540560 1065525591 /nfs/dbraw/zinc/52/55/91/1065525591.db2.gz HGRAOTWFKYHICG-SJLPKXTDSA-N 1 0 490.471 4.515 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC001360540558 1065525700 /nfs/dbraw/zinc/52/57/00/1065525700.db2.gz HGRAOTWFKYHICG-FUHWJXTLSA-N 1 0 490.471 4.515 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC001360541131 1065527383 /nfs/dbraw/zinc/52/73/83/1065527383.db2.gz IFCAAMJUWGUGTO-KGLIPLIRSA-N 1 0 459.919 4.999 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1)[NH+](C)C ZINC001360541128 1065527611 /nfs/dbraw/zinc/52/76/11/1065527611.db2.gz MOBZSQYSYJPNTD-HNNXBMFYSA-N 1 0 494.858 4.577 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCCCC1)[NH+](C)C ZINC001360541429 1065527929 /nfs/dbraw/zinc/52/79/29/1065527929.db2.gz LKSRGFMUKTZQGT-HNNXBMFYSA-N 1 0 452.416 4.813 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001437286551 1065531112 /nfs/dbraw/zinc/53/11/12/1065531112.db2.gz GFAGWVQYFMHYEG-MZURWIMNSA-N 1 0 457.659 4.685 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360544014 1065533067 /nfs/dbraw/zinc/53/30/67/1065533067.db2.gz ADDPQERMIPOZJR-OAQYLSRUSA-N 1 0 496.700 4.901 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001360544281 1065533275 /nfs/dbraw/zinc/53/32/75/1065533275.db2.gz FUQQVMSKOVPQGI-IBGZPJMESA-N 1 0 488.652 4.650 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(F)F)C1)[N@H+](C)C1CC1 ZINC001360544422 1065533801 /nfs/dbraw/zinc/53/38/01/1065533801.db2.gz IVZXKBIKEQPAEC-LSDHHAIUSA-N 1 0 468.390 4.672 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(F)F)C1)[N@H+](C)C1CC1 ZINC001360544419 1065533830 /nfs/dbraw/zinc/53/38/30/1065533830.db2.gz IVZXKBIKEQPAEC-CABCVRRESA-N 1 0 468.390 4.672 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360545064 1065535646 /nfs/dbraw/zinc/53/56/46/1065535646.db2.gz WBJSAHQBMJVDAR-PKOBYXMFSA-N 1 0 490.490 4.974 20 0 JJADRO C[C@@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001437319414 1065536780 /nfs/dbraw/zinc/53/67/80/1065536780.db2.gz QQYWSNUHUHOMOX-OWCLPIDISA-N 1 0 451.355 4.780 20 0 JJADRO CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001437376470 1065544673 /nfs/dbraw/zinc/54/46/73/1065544673.db2.gz KOKNVNRXCZJOTQ-UIOOFZCWSA-N 1 0 450.623 4.645 20 0 JJADRO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001437380523 1065545589 /nfs/dbraw/zinc/54/55/89/1065545589.db2.gz FBOQXDYFSVYUTB-QFIPXVFZSA-N 1 0 453.627 4.541 20 0 JJADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360557768 1065547016 /nfs/dbraw/zinc/54/70/16/1065547016.db2.gz FLRPVTMGTOLHLH-SFTDATJTSA-N 1 0 482.673 4.512 20 0 JJADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC001360562902 1065553324 /nfs/dbraw/zinc/55/33/24/1065553324.db2.gz GFOBLEUNEQEZMW-FCHUYYIVSA-N 1 0 496.700 4.902 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)c2ccc(F)cc2)CC1 ZINC001360563986 1065554522 /nfs/dbraw/zinc/55/45/22/1065554522.db2.gz NFKSNWKZNUGYOJ-NZQKXSOJSA-N 1 0 457.638 4.672 20 0 JJADRO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001360569300 1065561968 /nfs/dbraw/zinc/56/19/68/1065561968.db2.gz JLKYDGFLLRZGOY-OAHLLOKOSA-N 1 0 471.518 4.799 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1)Oc1ccccc1F ZINC001360570682 1065563766 /nfs/dbraw/zinc/56/37/66/1065563766.db2.gz UKVRQPCKQYMSHN-FQEVSTJZSA-N 1 0 485.673 4.900 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001360578796 1065574447 /nfs/dbraw/zinc/57/44/47/1065574447.db2.gz LVIVXILEKKBLAD-SFHVURJKSA-N 1 0 460.047 4.582 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)CC1)[N@H+](C)C1CC1 ZINC001360583539 1065581500 /nfs/dbraw/zinc/58/15/00/1065581500.db2.gz FZIUZJKKQYXXFL-GOSISDBHSA-N 1 0 461.601 4.873 20 0 JJADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC001437586076 1065581851 /nfs/dbraw/zinc/58/18/51/1065581851.db2.gz LPHNPSGAJYFGON-RBBKRZOGSA-N 1 0 459.428 4.554 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CC(F)(F)C1)[N@H+](C)C1CC1 ZINC001360584311 1065584163 /nfs/dbraw/zinc/58/41/63/1065584163.db2.gz VFZBCJVVFBTMBK-HNNXBMFYSA-N 1 0 498.416 4.584 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001360584487 1065584274 /nfs/dbraw/zinc/58/42/74/1065584274.db2.gz WRRPRWGZWWTCCS-CYBMUJFWSA-N 1 0 489.245 4.603 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC001360586347 1065586588 /nfs/dbraw/zinc/58/65/88/1065586588.db2.gz DJTKAFICFRXNIX-OAQYLSRUSA-N 1 0 470.681 4.513 20 0 JJADRO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC001437648752 1065587586 /nfs/dbraw/zinc/58/75/86/1065587586.db2.gz BDJVFYBFWLKEEY-MRXNPFEDSA-N 1 0 456.578 4.936 20 0 JJADRO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C)[N@H+](C)C1CC1 ZINC001360587792 1065590002 /nfs/dbraw/zinc/59/00/02/1065590002.db2.gz PQJGUXSXHDLJFG-DLBZAZTESA-N 1 0 464.079 4.710 20 0 JJADRO C[C@H](Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(Br)s1)[N@H+](C)Cc1ccccc1 ZINC001360587959 1065590313 /nfs/dbraw/zinc/59/03/13/1065590313.db2.gz VNDKRAPNJMNDIT-OAHLLOKOSA-N 1 0 486.443 4.767 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001360588313 1065591626 /nfs/dbraw/zinc/59/16/26/1065591626.db2.gz UKKKXWGKNPPXFH-QFIPXVFZSA-N 1 0 464.658 4.794 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001437721181 1065595748 /nfs/dbraw/zinc/59/57/48/1065595748.db2.gz BHTMSIVBWIIIHE-ZEQRLZLVSA-N 1 0 457.659 4.783 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)S[C@@H](C)C1)C[NH+]1CCCC1 ZINC001360591297 1065598301 /nfs/dbraw/zinc/59/83/01/1065598301.db2.gz ALKMPRPLXGIJTJ-PMPSAXMXSA-N 1 0 484.533 4.831 20 0 JJADRO CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001360591408 1065598321 /nfs/dbraw/zinc/59/83/21/1065598321.db2.gz CNZVOQZTIQTNRQ-HSZRJFAPSA-N 1 0 494.728 4.669 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCSC(C)(C)C1)C[NH+]1CCCC1 ZINC001360591596 1065599059 /nfs/dbraw/zinc/59/90/59/1065599059.db2.gz GMWFTHMMWAVDKE-INIZCTEOSA-N 1 0 496.494 4.910 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)OC1CCCC1)C[NH+]1CCCC1 ZINC001360592005 1065599502 /nfs/dbraw/zinc/59/95/02/1065599502.db2.gz NPLJISVPZXBYNQ-QGZVFWFLSA-N 1 0 462.436 4.750 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC001360592267 1065600136 /nfs/dbraw/zinc/60/01/36/1065600136.db2.gz RZIYJPBBMMBNEK-SJORKVTESA-N 1 0 496.881 4.566 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC001360593085 1065602508 /nfs/dbraw/zinc/60/25/08/1065602508.db2.gz DAKXXNQJSZSHGN-KRWDZBQOSA-N 1 0 498.416 4.587 20 0 JJADRO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCCCCC1)C[NH+]1CCCC1 ZINC001360593601 1065603328 /nfs/dbraw/zinc/60/33/28/1065603328.db2.gz IGGYRAOFVUYVRK-VSKRKVRLSA-N 1 0 474.694 4.551 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C)C[NH+]1CCCC1 ZINC001360593463 1065603356 /nfs/dbraw/zinc/60/33/56/1065603356.db2.gz HLIONXOBWMGKPY-ROUUACIJSA-N 1 0 496.483 4.900 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)C[NH+]1CCCC1 ZINC001360593805 1065603378 /nfs/dbraw/zinc/60/33/78/1065603378.db2.gz KDJHYBHWIRFSMJ-GBESFXJTSA-N 1 0 482.019 4.970 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360594051 1065604079 /nfs/dbraw/zinc/60/40/79/1065604079.db2.gz LPJNAHHYUDYLSQ-KDOFPFPSSA-N 1 0 492.373 4.751 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360594055 1065604108 /nfs/dbraw/zinc/60/41/08/1065604108.db2.gz LPJNAHHYUDYLSQ-RDTXWAMCSA-N 1 0 492.373 4.751 20 0 JJADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594369 1065604905 /nfs/dbraw/zinc/60/49/05/1065604905.db2.gz QRUZPTUWVUMNGR-UNMCSNQZSA-N 1 0 457.638 4.524 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)C1)C[NH+]1CCCC1 ZINC001360594563 1065604996 /nfs/dbraw/zinc/60/49/96/1065604996.db2.gz SPEZSKTYGOUIBO-LJQANCHMSA-N 1 0 461.601 4.732 20 0 JJADRO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1)C[NH+]1CCCC1 ZINC001360594720 1065605594 /nfs/dbraw/zinc/60/55/94/1065605594.db2.gz UCCONJJKRLNIAH-MJGOQNOKSA-N 1 0 466.120 4.897 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC001360595252 1065606603 /nfs/dbraw/zinc/60/66/03/1065606603.db2.gz YTWXHOKKHVUIRZ-KURKYZTESA-N 1 0 482.456 4.509 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360595389 1065606619 /nfs/dbraw/zinc/60/66/19/1065606619.db2.gz ZUNMGGXHCLAUMW-OAHLLOKOSA-N 1 0 469.518 4.920 20 0 JJADRO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCO1)C[NH+]1CCCC1 ZINC001360594979 1065606640 /nfs/dbraw/zinc/60/66/40/1065606640.db2.gz WWXVHZFUWSGSKC-UYAOXDASSA-N 1 0 464.079 4.571 20 0 JJADRO C[C@@H](Cn1c(COc2ccccc2F)nnc1N(C)[C@@H](C)c1cccs1)C[NH+]1CCCC1 ZINC001360595392 1065606671 /nfs/dbraw/zinc/60/66/71/1065606671.db2.gz ZWLBCRWCTWQBPX-MOPGFXCFSA-N 1 0 457.619 4.987 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCSCC1)C[NH+]1CCCCC1 ZINC001360596784 1065610598 /nfs/dbraw/zinc/61/05/98/1065610598.db2.gz HEXDAIDWXVWZAO-INIZCTEOSA-N 1 0 482.467 4.522 20 0 JJADRO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl)C[NH+]1CCCCC1 ZINC001360597120 1065612071 /nfs/dbraw/zinc/61/20/71/1065612071.db2.gz LKXRDHOFAHRRAG-FQEVSTJZSA-N 1 0 469.033 4.631 20 0 JJADRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001437813091 1065613401 /nfs/dbraw/zinc/61/34/01/1065613401.db2.gz DWWXIHHJYBBGFX-FQUZAXHOSA-N 1 0 469.670 4.829 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360597568 1065614532 /nfs/dbraw/zinc/61/45/32/1065614532.db2.gz POHPXOACEZOOQU-DENIHFKCSA-N 1 0 490.490 4.835 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360597789 1065615159 /nfs/dbraw/zinc/61/51/59/1065615159.db2.gz RMTCCEURPJORRC-GUDVDZBRSA-N 1 0 460.464 4.922 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597966 1065615978 /nfs/dbraw/zinc/61/59/78/1065615978.db2.gz UAVUFKWSPWKENQ-RXFWQSSRSA-N 1 0 457.638 4.848 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1)C[NH+]1CCCC1 ZINC001360598046 1065616752 /nfs/dbraw/zinc/61/67/52/1065616752.db2.gz UVKDSUYRRDTZAE-SFTDATJTSA-N 1 0 474.694 4.708 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360598284 1065617608 /nfs/dbraw/zinc/61/76/08/1065617608.db2.gz WHNPDRDNYGVNIE-VQTJNVASSA-N 1 0 499.059 4.774 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC(C)(C)[C@@H]1C)C[NH+]1CCCCC1 ZINC001360598484 1065618459 /nfs/dbraw/zinc/61/84/59/1065618459.db2.gz YHJGYTLJHCQHJS-MSOLQXFVSA-N 1 0 464.029 4.863 20 0 JJADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CCOc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001360599180 1065620039 /nfs/dbraw/zinc/62/00/39/1065620039.db2.gz LIVVLUSPQAPVRB-IBGZPJMESA-N 1 0 457.022 4.564 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1)C[NH+]1CCCCC1 ZINC001360599319 1065620656 /nfs/dbraw/zinc/62/06/56/1065620656.db2.gz NOASHEYLWZKKJO-XZOQPEGZSA-N 1 0 488.721 4.895 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1)C[NH+]1CCCCC1 ZINC001360599477 1065621446 /nfs/dbraw/zinc/62/14/46/1065621446.db2.gz QFQLOCDAOYHJKB-ZWKOTPCHSA-N 1 0 496.519 4.755 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360601515 1065623888 /nfs/dbraw/zinc/62/38/88/1065623888.db2.gz AQQKQRQIHARJNF-XZOQPEGZSA-N 1 0 483.701 4.892 20 0 JJADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360601853 1065625383 /nfs/dbraw/zinc/62/53/83/1065625383.db2.gz HZBABHMCJYZKNT-ICSRJNTNSA-N 1 0 485.620 4.600 20 0 JJADRO C[C@H](Cn1c(Nc2ccn(C)n2)nnc1[C@H](C)Oc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC001360601912 1065625446 /nfs/dbraw/zinc/62/54/46/1065625446.db2.gz JEHLEBXAHRAGAJ-ROUUACIJSA-N 1 0 458.010 4.671 20 0 JJADRO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360601964 1065625531 /nfs/dbraw/zinc/62/55/31/1065625531.db2.gz KEJYPRRIBSDZTM-UPVQGACJSA-N 1 0 486.749 4.512 20 0 JJADRO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(F)F)C1)C[NH+]1CCCCC1 ZINC001360602085 1065625565 /nfs/dbraw/zinc/62/55/65/1065625565.db2.gz MCTLUIRKQWAYGR-RTBURBONSA-N 1 0 465.564 4.600 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@H]1C)C[NH+]1CCCCC1 ZINC001360602365 1065626210 /nfs/dbraw/zinc/62/62/10/1065626210.db2.gz OEIOARLSODITPC-FGZHOGPDSA-N 1 0 469.674 4.502 20 0 JJADRO C[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1cc(Br)cs1)C[NH+]1CCCCC1 ZINC001360603655 1065628725 /nfs/dbraw/zinc/62/87/25/1065628725.db2.gz WJYXOCYROIWIFY-MRXNPFEDSA-N 1 0 466.493 4.813 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001360604385 1065629741 /nfs/dbraw/zinc/62/97/41/1065629741.db2.gz QFPAGGBXEFFWPB-TZIWHRDSSA-N 1 0 490.490 4.548 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CC(F)(F)C1)C[NH+]1CCOCC1 ZINC001360604819 1065630835 /nfs/dbraw/zinc/63/08/35/1065630835.db2.gz YQSOEUHUZIAYPF-LJQANCHMSA-N 1 0 475.628 4.692 20 0 JJADRO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360611994 1065651031 /nfs/dbraw/zinc/65/10/31/1065651031.db2.gz WFTUMJNUZLLUSZ-URXFXBBRSA-N 1 0 496.700 4.807 20 0 JJADRO Cc1oc(Br)cc1C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438032923 1065655793 /nfs/dbraw/zinc/65/57/93/1065655793.db2.gz PJGWYXUCESXLLA-AWEZNQCLSA-N 1 0 456.178 4.636 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)/C=C/c2ccco2)c1 ZINC001438095036 1065669193 /nfs/dbraw/zinc/66/91/93/1065669193.db2.gz OANOZKRWTRDLDD-KXPUMZMLSA-N 1 0 452.382 4.944 20 0 JJADRO Cc1ccoc1CC(=O)Nc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc(Cl)c1Cl ZINC001438097058 1065670034 /nfs/dbraw/zinc/67/00/34/1065670034.db2.gz VXXVHZLVFOWMKE-MRXNPFEDSA-N 1 0 454.398 4.782 20 0 JJADRO C[C@H](N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001360632059 1065683137 /nfs/dbraw/zinc/68/31/37/1065683137.db2.gz HJVMRDHHTNMKGM-FQEVSTJZSA-N 1 0 492.634 4.801 20 0 JJADRO C[C@@H](N1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1)C(F)(F)F ZINC001360632381 1065684942 /nfs/dbraw/zinc/68/49/42/1065684942.db2.gz ODMDGODBTDIQFI-XMSQKQJNSA-N 1 0 496.597 4.668 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001360637004 1065697505 /nfs/dbraw/zinc/69/75/05/1065697505.db2.gz PGTZRAYOFGDAKU-HBFSDRIKSA-N 1 0 491.080 4.678 20 0 JJADRO CCc1ccc([C@@H](C)CC(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)cc1 ZINC001438259690 1065703603 /nfs/dbraw/zinc/70/36/03/1065703603.db2.gz QDTPMHUZVMQBBF-IBGZPJMESA-N 1 0 452.599 4.833 20 0 JJADRO Cc1ccc(CCCCC(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)cc1 ZINC001438261223 1065704350 /nfs/dbraw/zinc/70/43/50/1065704350.db2.gz XOCQXQVBDIAYNI-UHFFFAOYSA-N 1 0 452.599 4.799 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001360638806 1065704722 /nfs/dbraw/zinc/70/47/22/1065704722.db2.gz JDJMKPKUHZBZPE-HKBOAZHASA-N 1 0 476.710 4.580 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC001438334612 1065711337 /nfs/dbraw/zinc/71/13/37/1065711337.db2.gz MGDLYNSQUUSVFF-NAVOZUGXSA-N 1 0 476.539 4.527 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(C2CCCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360640974 1065711601 /nfs/dbraw/zinc/71/16/01/1065711601.db2.gz BENGEEVAUJSTHZ-FQEVSTJZSA-N 1 0 476.710 4.796 20 0 JJADRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c2cc(Br)ccc2n1 ZINC001438338428 1065711932 /nfs/dbraw/zinc/71/19/32/1065711932.db2.gz WTHWDVKFLWTPOD-VQIMIIECSA-N 1 0 452.396 4.804 20 0 JJADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC001438339802 1065712154 /nfs/dbraw/zinc/71/21/54/1065712154.db2.gz RKQSWQRKNHAMDF-UHFFFAOYSA-N 1 0 452.382 4.611 20 0 JJADRO Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001438347038 1065714055 /nfs/dbraw/zinc/71/40/55/1065714055.db2.gz VMLVJKMIPVVHPI-YLJYHZDGSA-N 1 0 456.512 4.697 20 0 JJADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001438358775 1065715906 /nfs/dbraw/zinc/71/59/06/1065715906.db2.gz OUPMGRUIWKPKDW-IBGZPJMESA-N 1 0 455.400 4.510 20 0 JJADRO C[NH+](C)CCOc1cc(C(=O)N(Cc2ccc(F)cc2)c2nc3ccccc3s2)ccn1 ZINC001360644390 1065718790 /nfs/dbraw/zinc/71/87/90/1065718790.db2.gz ZUBCQKAGFWHYKG-UHFFFAOYSA-N 1 0 450.539 4.618 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 ZINC001360644584 1065718907 /nfs/dbraw/zinc/71/89/07/1065718907.db2.gz BEWZINGJJPMTHG-KNQAVFIVSA-N 1 0 468.596 4.875 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001360644598 1065719383 /nfs/dbraw/zinc/71/93/83/1065719383.db2.gz BFSVHZKFIDRJBK-PXNSSMCTSA-N 1 0 475.563 4.587 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1)c1ccccc1 ZINC001360644785 1065719535 /nfs/dbraw/zinc/71/95/35/1065719535.db2.gz CPNHBMWGMCUGSA-GHTZIAJQSA-N 1 0 454.569 4.951 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccccc1 ZINC001360644932 1065719924 /nfs/dbraw/zinc/71/99/24/1065719924.db2.gz DRBJNZLVBJGQPN-YLJYHZDGSA-N 1 0 492.590 4.527 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001360645197 1065720610 /nfs/dbraw/zinc/72/06/10/1065720610.db2.gz GZBWQELRIKPGJV-LEWJYISDSA-N 1 0 463.674 4.508 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccs1)c1ccccc1 ZINC001360645581 1065720973 /nfs/dbraw/zinc/72/09/73/1065720973.db2.gz KATRCRTYIZSSRT-IBGZPJMESA-N 1 0 489.649 4.753 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H]1C)c1ccccc1 ZINC001360645594 1065721208 /nfs/dbraw/zinc/72/12/08/1065721208.db2.gz KIQMNTRTXPNUHO-UFYCRDLUSA-N 1 0 480.682 4.634 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001360647370 1065723228 /nfs/dbraw/zinc/72/32/28/1065723228.db2.gz XSINWFKGDMLMHZ-IFMALSPDSA-N 1 0 488.721 4.625 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 ZINC001360647052 1065723287 /nfs/dbraw/zinc/72/32/87/1065723287.db2.gz VJKLCUQUHMBOEK-RTWAWAEBSA-N 1 0 496.700 4.806 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCN(c2cccc3[nH]ccc32)CC1)c1cccc(C(F)(F)F)c1 ZINC001438480843 1065723994 /nfs/dbraw/zinc/72/39/94/1065723994.db2.gz QIXLOAIALMKJPD-HSZRJFAPSA-N 1 0 458.528 4.918 20 0 JJADRO C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)C1 ZINC001360657827 1065727853 /nfs/dbraw/zinc/72/78/53/1065727853.db2.gz DFGKHKMJASCCMK-NQHRYMMQSA-N 1 0 457.659 4.947 20 0 JJADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC001360678545 1065734267 /nfs/dbraw/zinc/73/42/67/1065734267.db2.gz RSFNTABPHNUVKB-HZPDHXFCSA-N 1 0 457.949 4.592 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@](C)(O)c2ccco2)CC1 ZINC001360727042 1065754206 /nfs/dbraw/zinc/75/42/06/1065754206.db2.gz LSUWDXJDKNIAGH-QHCPKHFHSA-N 1 0 478.424 4.673 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(F)(F)F)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001360736455 1065765270 /nfs/dbraw/zinc/76/52/70/1065765270.db2.gz BCSNHRWKCDVHMU-SFHVURJKSA-N 1 0 499.553 4.591 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360736753 1065765664 /nfs/dbraw/zinc/76/56/64/1065765664.db2.gz HAGWCZANNQZAKY-UYAOXDASSA-N 1 0 461.651 4.621 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccoc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360736919 1065766827 /nfs/dbraw/zinc/76/68/27/1065766827.db2.gz ARWHCETUFAEPGO-LJQANCHMSA-N 1 0 455.578 4.909 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H]2CCCOC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360739783 1065771876 /nfs/dbraw/zinc/77/18/76/1065771876.db2.gz WPLWEZYVPOSVFP-RTWAWAEBSA-N 1 0 473.637 4.685 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H]2CCCOC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360739784 1065771940 /nfs/dbraw/zinc/77/19/40/1065771940.db2.gz WPLWEZYVPOSVFP-SFTDATJTSA-N 1 0 473.637 4.685 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)[C@H]1c1cccs1 ZINC001360740322 1065773545 /nfs/dbraw/zinc/77/35/45/1065773545.db2.gz ADWGJUBEWTZUPF-QAPCUYQASA-N 1 0 455.502 4.672 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)[C@@H]1c1cccs1 ZINC001360740320 1065773684 /nfs/dbraw/zinc/77/36/84/1065773684.db2.gz ADWGJUBEWTZUPF-MAUKXSAKSA-N 1 0 455.502 4.672 20 0 JJADRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1 ZINC001438988765 1065774038 /nfs/dbraw/zinc/77/40/38/1065774038.db2.gz XKZDVRWAIJACSM-QHCPKHFHSA-N 1 0 452.595 4.534 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001360743803 1065780360 /nfs/dbraw/zinc/78/03/60/1065780360.db2.gz JRUWKIHQDBRHTG-FQEVSTJZSA-N 1 0 471.621 4.603 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360744269 1065781271 /nfs/dbraw/zinc/78/12/71/1065781271.db2.gz QJYNYOXFINNIJI-BEFAXECRSA-N 1 0 465.545 4.767 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001360745232 1065783664 /nfs/dbraw/zinc/78/36/64/1065783664.db2.gz IAUPTXWCLFCFTB-IAGOWNOFSA-N 1 0 469.527 4.820 20 0 JJADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439112017 1065788646 /nfs/dbraw/zinc/78/86/46/1065788646.db2.gz STYLLIVESDGKAK-BOCKYXSRSA-N 1 0 459.453 4.910 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCC(F)(F)F ZINC001360746736 1065789137 /nfs/dbraw/zinc/78/91/37/1065789137.db2.gz YJZRRWMEJGWEFQ-PKOBYXMFSA-N 1 0 469.527 4.964 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747625 1065789950 /nfs/dbraw/zinc/78/99/50/1065789950.db2.gz LINCCAFYGICNQI-GMAHTHKFSA-N 1 0 455.643 4.537 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001360748551 1065790410 /nfs/dbraw/zinc/79/04/10/1065790410.db2.gz BGFJHSIRLNCHBU-OFNKIYASSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(Cl)nc1 ZINC001360748701 1065790855 /nfs/dbraw/zinc/79/08/55/1065790855.db2.gz DUFPZIQRHXRAAB-KRWDZBQOSA-N 1 0 472.996 4.574 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360749065 1065791613 /nfs/dbraw/zinc/79/16/13/1065791613.db2.gz KZNFCKFEBZSCTN-RXVVDRJESA-N 1 0 495.590 4.540 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001360750849 1065796083 /nfs/dbraw/zinc/79/60/83/1065796083.db2.gz QUOVUYSRLLNEKZ-CEXWTWQISA-N 1 0 461.651 4.762 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001360750850 1065796347 /nfs/dbraw/zinc/79/63/47/1065796347.db2.gz QUOVUYSRLLNEKZ-FHWLQOOXSA-N 1 0 461.651 4.762 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCOC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360753906 1065801386 /nfs/dbraw/zinc/80/13/86/1065801386.db2.gz KZKLBAJWVZZGHL-UYAOXDASSA-N 1 0 462.038 4.561 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001360753951 1065802293 /nfs/dbraw/zinc/80/22/93/1065802293.db2.gz LRPWZEIEDQHEIP-IBGZPJMESA-N 1 0 492.064 4.534 20 0 JJADRO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1 ZINC001439266175 1065805931 /nfs/dbraw/zinc/80/59/31/1065805931.db2.gz XYBPOLYTUFMLKH-FQEVSTJZSA-N 1 0 453.574 4.541 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccccn2)n1CC1([NH+](C)C)CCC1 ZINC001360754583 1065806793 /nfs/dbraw/zinc/80/67/93/1065806793.db2.gz XSUIMVFGGOWDHC-GOSISDBHSA-N 1 0 455.006 4.587 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001360755226 1065808148 /nfs/dbraw/zinc/80/81/48/1065808148.db2.gz AUNNZYBPFFZRPZ-PCCBWWKXSA-N 1 0 476.065 4.665 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C)CC2)n1CCCC[NH+]1CCOCC1 ZINC001360755657 1065809640 /nfs/dbraw/zinc/80/96/40/1065809640.db2.gz HNQYDPLDDDBTIL-FQEVSTJZSA-N 1 0 476.065 4.810 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)c2ccccc2C(C)(C)C)CC1 ZINC001439277002 1065810214 /nfs/dbraw/zinc/81/02/14/1065810214.db2.gz XCMYKHYHEJACGT-OYRHEFFESA-N 1 0 455.643 4.672 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[N@H+]1CC=CCC1 ZINC001360759194 1065828582 /nfs/dbraw/zinc/82/85/82/1065828582.db2.gz YWKBTFXQULIRLL-QZTJIDSGSA-N 1 0 465.976 4.815 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001360760050 1065830732 /nfs/dbraw/zinc/83/07/32/1065830732.db2.gz GSCAGAQDSLLUIO-IRFCIJBXSA-N 1 0 476.065 4.543 20 0 JJADRO C[C@H](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@@H]1C)[NH+]1CCCCC1 ZINC001360760286 1065831779 /nfs/dbraw/zinc/83/17/79/1065831779.db2.gz JSBRRTLCCNQBLE-AABGKKOBSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)c2cccs2)n1CC1([NH+](C)C)CCOCC1 ZINC001360763029 1065842075 /nfs/dbraw/zinc/84/20/75/1065842075.db2.gz OSBVZSVFJLJXHP-RTBURBONSA-N 1 0 487.645 4.927 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 ZINC001360764594 1065845363 /nfs/dbraw/zinc/84/53/63/1065845363.db2.gz CKUYXVBCEJMFHA-INIZCTEOSA-N 1 0 494.409 4.889 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC(F)(F)F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360765288 1065849019 /nfs/dbraw/zinc/84/90/19/1065849019.db2.gz OQKHHUFHHHOWAM-INIZCTEOSA-N 1 0 457.516 4.820 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360765305 1065849246 /nfs/dbraw/zinc/84/92/46/1065849246.db2.gz OYGIJGAJAVVGBK-FKBYEOEOSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2csc(Br)c2)n1C[C@H](C)[NH+](C)C ZINC001360765633 1065851357 /nfs/dbraw/zinc/85/13/57/1065851357.db2.gz VWSPZKBPBXIRPV-GJZGRUSLSA-N 1 0 496.450 4.968 20 0 JJADRO C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1)[N@H+](C)C1CC1 ZINC001360769620 1065862511 /nfs/dbraw/zinc/86/25/11/1065862511.db2.gz LDSINTJOBHYKRH-HUUCEWRRSA-N 1 0 468.404 4.939 20 0 JJADRO CC(C)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001360769727 1065863445 /nfs/dbraw/zinc/86/34/45/1065863445.db2.gz MMWWYALBGGLVNU-OAQYLSRUSA-N 1 0 487.664 4.665 20 0 JJADRO CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001439711219 1065863752 /nfs/dbraw/zinc/86/37/52/1065863752.db2.gz RWKGBNPJVXUFNT-QHCPKHFHSA-N 1 0 457.659 4.930 20 0 JJADRO CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001360773170 1065871108 /nfs/dbraw/zinc/87/11/08/1065871108.db2.gz HCQYHVRFNQVGJN-NRFANRHFSA-N 1 0 487.664 4.788 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001360773975 1065872409 /nfs/dbraw/zinc/87/24/09/1065872409.db2.gz MRSPJSGXKXGUKV-QNWVGRARSA-N 1 0 473.637 4.683 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001360774012 1065872585 /nfs/dbraw/zinc/87/25/85/1065872585.db2.gz NDTHSWNXZDVWQX-HNNXBMFYSA-N 1 0 498.550 4.611 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001360774981 1065876039 /nfs/dbraw/zinc/87/60/39/1065876039.db2.gz QGSGVGZODINSME-MSOLQXFVSA-N 1 0 499.553 4.589 20 0 JJADRO COc1ccc(C(C)(C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC001439819922 1065882187 /nfs/dbraw/zinc/88/21/87/1065882187.db2.gz PKDNPGBCBDKCSD-LOSJGSFVSA-N 1 0 458.602 4.766 20 0 JJADRO CC[C@@H](C)c1nc(C)c(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(C)n1 ZINC001439824514 1065883193 /nfs/dbraw/zinc/88/31/93/1065883193.db2.gz YOYGUDDKXRNWHA-JAMKYWPSSA-N 1 0 456.634 4.934 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001545925675 1065885141 /nfs/dbraw/zinc/88/51/41/1065885141.db2.gz SADDDJIYQDHQIK-UHFFFAOYSA-N 1 0 486.730 4.620 20 0 JJADRO CC(=O)Nc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001440048577 1065907151 /nfs/dbraw/zinc/90/71/51/1065907151.db2.gz TYFSZWPBYUQROK-KAGYGMCKSA-N 1 0 459.512 4.694 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001440137586 1065914719 /nfs/dbraw/zinc/91/47/19/1065914719.db2.gz BWUJVBQNSKXLTI-GGAORHGYSA-N 1 0 455.599 4.703 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Br)c3)c3cnccc32)CC1 ZINC001440140746 1065915545 /nfs/dbraw/zinc/91/55/45/1065915545.db2.gz NDGKVGHZRNNDHI-UHFFFAOYSA-N 1 0 459.775 4.655 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001440143737 1065916476 /nfs/dbraw/zinc/91/64/76/1065916476.db2.gz SEORKTBFKOZYPN-SQHAQQRYSA-N 1 0 451.611 4.625 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCCC3(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360808276 1065920683 /nfs/dbraw/zinc/92/06/83/1065920683.db2.gz JBJFIWHWWZOVTI-UHFFFAOYSA-N 1 0 488.721 4.893 20 0 JJADRO CC(C)(C)O[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360808971 1065923160 /nfs/dbraw/zinc/92/31/60/1065923160.db2.gz XXRSVRUHJPPQIY-XMMPIXPASA-N 1 0 483.701 4.806 20 0 JJADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001360817840 1065931143 /nfs/dbraw/zinc/93/11/43/1065931143.db2.gz YGAOGTLVSQVSFH-QGZVFWFLSA-N 1 0 496.519 4.895 20 0 JJADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001440343843 1065931892 /nfs/dbraw/zinc/93/18/92/1065931892.db2.gz TUMKEMXNORVPMQ-NRFANRHFSA-N 1 0 450.410 4.752 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1nccc2c(Br)cccc21)[NH+]1CCCC1 ZINC001440382067 1065934730 /nfs/dbraw/zinc/93/47/30/1065934730.db2.gz CGGNXSXFUSQYNN-HXUWFJFHSA-N 1 0 454.368 4.573 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)[NH+]2CCCC2)c1 ZINC001440382973 1065935582 /nfs/dbraw/zinc/93/55/82/1065935582.db2.gz VAAUEMAVTGOXDO-QHCPKHFHSA-N 1 0 451.954 4.683 20 0 JJADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001440392405 1065937421 /nfs/dbraw/zinc/93/74/21/1065937421.db2.gz YYBUKDXARGEWDR-HXUWFJFHSA-N 1 0 450.004 4.508 20 0 JJADRO C[N@H+](CCCNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)C1CCCCC1 ZINC001440617669 1065954747 /nfs/dbraw/zinc/95/47/47/1065954747.db2.gz NAPRQBGSZIHNGD-UHFFFAOYSA-N 1 0 456.940 4.988 20 0 JJADRO Cc1sc(C)c(Cn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1Br ZINC001360848777 1065957825 /nfs/dbraw/zinc/95/78/25/1065957825.db2.gz DUGPGFZNIPCTJF-QGZVFWFLSA-N 1 0 496.519 4.582 20 0 JJADRO Cc1sc(C)c(Cn2c([C@@H]3CCCOC3)nnc2N2CCC([NH2+]C(C)C)CC2)c1Br ZINC001360848846 1065957877 /nfs/dbraw/zinc/95/78/77/1065957877.db2.gz HLRDWQXFJNVDHG-QGZVFWFLSA-N 1 0 496.519 4.628 20 0 JJADRO Cc1sc(C)c(Cn2c(-c3cccnc3)nnc2N2CCC([NH2+]C(C)C)CC2)c1Br ZINC001360849207 1065959118 /nfs/dbraw/zinc/95/91/18/1065959118.db2.gz QBEXMCQUQAAPMS-UHFFFAOYSA-N 1 0 489.487 4.796 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)c1cccc(F)c1 ZINC001440673724 1065961704 /nfs/dbraw/zinc/96/17/04/1065961704.db2.gz IFSABSYQOUMWEO-MBSDFSHPSA-N 1 0 455.574 4.864 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)C1 ZINC001440676362 1065962931 /nfs/dbraw/zinc/96/29/31/1065962931.db2.gz NMANMLVRBMBLOQ-GOSISDBHSA-N 1 0 456.583 4.951 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)[NH+](C)C)c1 ZINC001440677090 1065963004 /nfs/dbraw/zinc/96/30/04/1065963004.db2.gz SSXFBHFAVXSLFA-GOSISDBHSA-N 1 0 450.764 4.625 20 0 JJADRO O=C(Cc1c(F)ccc(Br)c1F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001440682255 1065965428 /nfs/dbraw/zinc/96/54/28/1065965428.db2.gz TZQQYQKBJUIKOK-UHFFFAOYSA-N 1 0 457.746 4.704 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001360851710 1065965626 /nfs/dbraw/zinc/96/56/26/1065965626.db2.gz PWIPFBNIBWTYSF-GFCCVEGCSA-N 1 0 489.281 4.598 20 0 JJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C ZINC001440684752 1065966292 /nfs/dbraw/zinc/96/62/92/1065966292.db2.gz KORORCFLTVFIJQ-LJQANCHMSA-N 1 0 454.615 4.572 20 0 JJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(C)c2cc(Br)ccc2oc1=O ZINC001440685928 1065966880 /nfs/dbraw/zinc/96/68/80/1065966880.db2.gz PALDVWDIYKGVID-UHFFFAOYSA-N 1 0 457.368 4.636 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3cccn3C)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001360852188 1065967421 /nfs/dbraw/zinc/96/74/21/1065967421.db2.gz ZVSSQOBPIBKSDY-UHFFFAOYSA-N 1 0 475.479 4.819 20 0 JJADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001440707365 1065968572 /nfs/dbraw/zinc/96/85/72/1065968572.db2.gz BTSDXPUWFBRQSP-UHFFFAOYSA-N 1 0 455.027 4.838 20 0 JJADRO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001440708642 1065968638 /nfs/dbraw/zinc/96/86/38/1065968638.db2.gz UDCXAAASSCVLCE-KRWDZBQOSA-N 1 0 459.974 4.700 20 0 JJADRO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001440708647 1065968714 /nfs/dbraw/zinc/96/87/14/1065968714.db2.gz UDCXAAASSCVLCE-QGZVFWFLSA-N 1 0 459.974 4.700 20 0 JJADRO CC1=C(Br)CN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360853870 1065971229 /nfs/dbraw/zinc/97/12/29/1065971229.db2.gz POOZEABORJRPPI-UHFFFAOYSA-N 1 0 450.469 4.937 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440731112 1065971350 /nfs/dbraw/zinc/97/13/50/1065971350.db2.gz AXBMZCRIYIKGDV-KUHUBIRLSA-N 1 0 456.940 4.772 20 0 JJADRO O=C(c1c(F)ccc(C(F)(F)F)c1Br)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001440733586 1065971994 /nfs/dbraw/zinc/97/19/94/1065971994.db2.gz LPEXCIYBEDBNQW-UHFFFAOYSA-N 1 0 459.281 4.955 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360854036 1065972166 /nfs/dbraw/zinc/97/21/66/1065972166.db2.gz QNJMFRLEUHCCGL-UHFFFAOYSA-N 1 0 471.447 4.893 20 0 JJADRO Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2C)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440734080 1065972292 /nfs/dbraw/zinc/97/22/92/1065972292.db2.gz NWRZDUMXYDLSHL-UHFFFAOYSA-N 1 0 454.939 4.658 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)Cc1ccccc1 ZINC001440738627 1065973767 /nfs/dbraw/zinc/97/37/67/1065973767.db2.gz NRNUKEIHJMJQJP-FGZHOGPDSA-N 1 0 450.652 4.582 20 0 JJADRO CC[C@@H]1[C@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001440742559 1065975006 /nfs/dbraw/zinc/97/50/06/1065975006.db2.gz RTSIGMQZAWQSQV-NRSPTQNISA-N 1 0 450.023 4.629 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001360858000 1065976986 /nfs/dbraw/zinc/97/69/86/1065976986.db2.gz UQSPJDOLFONXFK-YFVAEKQCSA-N 1 0 494.522 4.808 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C3(Cc4cccc(F)c4)CCCCC3)CC2)c1 ZINC001440815396 1065980787 /nfs/dbraw/zinc/98/07/87/1065980787.db2.gz BRHXEYDLSIVNQZ-UHFFFAOYSA-N 1 0 451.630 4.956 20 0 JJADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001440821699 1065981467 /nfs/dbraw/zinc/98/14/67/1065981467.db2.gz AYINVYKRSHEEFT-HYFFOGBASA-N 1 0 451.394 4.729 20 0 JJADRO C[C@@H]1C[NH+](CCCNC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C[C@@H](C)O1 ZINC001440826755 1065982045 /nfs/dbraw/zinc/98/20/45/1065982045.db2.gz NNXACICWTYIYSC-DRSNIGMVSA-N 1 0 451.007 4.928 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001360864777 1065983007 /nfs/dbraw/zinc/98/30/07/1065983007.db2.gz IHJJGCMTMUSQJW-DHLKQENFSA-N 1 0 496.700 4.866 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC001360864997 1065983648 /nfs/dbraw/zinc/98/36/48/1065983648.db2.gz NZNMOOCSJHXLCQ-DEOSSOPVSA-N 1 0 492.668 4.989 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@@H](c2ccco2)[NH+](C)C)c1C ZINC001360865443 1065984321 /nfs/dbraw/zinc/98/43/21/1065984321.db2.gz BLSJRQLCWJCWJP-MSOLQXFVSA-N 1 0 465.520 4.929 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H]3CCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001360865571 1065984696 /nfs/dbraw/zinc/98/46/96/1065984696.db2.gz DOGLSTUGQDJICA-WWNPGLIZSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCC[C@H]1C ZINC001360865821 1065985905 /nfs/dbraw/zinc/98/59/05/1065985905.db2.gz JAFBEOWIKRJODG-XXBNENTESA-N 1 0 479.673 4.506 20 0 JJADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCCOc3cccc(Cl)c3Cl)CC2)cc1 ZINC001440870793 1065986526 /nfs/dbraw/zinc/98/65/26/1065986526.db2.gz JSUIIGWNTITLET-UHFFFAOYSA-N 1 0 451.394 4.896 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC001360866149 1065987571 /nfs/dbraw/zinc/98/75/71/1065987571.db2.gz NJSCTSYHOPZNSW-CMKODMSKSA-N 1 0 497.606 4.921 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1cccc(OC)c1 ZINC001440882614 1065988834 /nfs/dbraw/zinc/98/88/34/1065988834.db2.gz SLHUOOQTCCOGNE-VWLOTQADSA-N 1 0 458.562 4.954 20 0 JJADRO CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001440883872 1065989108 /nfs/dbraw/zinc/98/91/08/1065989108.db2.gz USYIVYVCBHOJDW-QFIPXVFZSA-N 1 0 455.986 4.740 20 0 JJADRO CC(C)[NH+]1CCC(N(C)C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001440882878 1065989321 /nfs/dbraw/zinc/98/93/21/1065989321.db2.gz SQNAHMXJCVYFPZ-UHFFFAOYSA-N 1 0 455.002 4.600 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccco3)n2C[C@H](C)C[NH+]2CCCC2)c1C ZINC001360868622 1065992681 /nfs/dbraw/zinc/99/26/81/1065992681.db2.gz JBQHJXIPOMJION-DENIHFKCSA-N 1 0 451.615 4.996 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC2([NH+](C)C)CCC2)c1C ZINC001360868693 1065993404 /nfs/dbraw/zinc/99/34/04/1065993404.db2.gz AOANYCKYBGRGJX-FBBABVLZSA-N 1 0 495.590 4.675 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2CC[N@H+](C)C2CCCCC2)c1C ZINC001360868768 1065994043 /nfs/dbraw/zinc/99/40/43/1065994043.db2.gz JTDGCWJRAFPSEA-NRFANRHFSA-N 1 0 466.630 4.924 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360868825 1065994552 /nfs/dbraw/zinc/99/45/52/1065994552.db2.gz KLPDHZVOTZDAJG-DHIUTWEWSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360868877 1065994558 /nfs/dbraw/zinc/99/45/58/1065994558.db2.gz CBUFDASDXSGVAG-RBBKRZOGSA-N 1 0 469.674 4.913 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)c1C ZINC001360868923 1065995032 /nfs/dbraw/zinc/99/50/32/1065995032.db2.gz CGLDXYOREJFFGX-LADGPHEKSA-N 1 0 499.700 4.540 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1C ZINC001360869000 1065995530 /nfs/dbraw/zinc/99/55/30/1065995530.db2.gz LSHMJAGTOGQINK-JRFVFWCSSA-N 1 0 469.674 4.628 20 0 JJADRO C[N@H+](Cc1ccccc1NC(=O)CNC(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC001440943934 1065996302 /nfs/dbraw/zinc/99/63/02/1065996302.db2.gz VTZHTISFZMTYJT-UHFFFAOYSA-N 1 0 458.400 4.582 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001360869780 1065999128 /nfs/dbraw/zinc/99/91/28/1065999128.db2.gz JZIOXOGHEKWZEE-DSKINZAPSA-N 1 0 483.579 4.531 20 0 JJADRO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC001441002292 1065999388 /nfs/dbraw/zinc/99/93/88/1065999388.db2.gz MWUJZJGCIKJWAE-IBGZPJMESA-N 1 0 454.011 4.936 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)c1ccsc1 ZINC001441011080 1066000249 /nfs/dbraw/zinc/00/02/49/1066000249.db2.gz YNLLLVGESPLDIF-QGZVFWFLSA-N 1 0 456.921 4.698 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccoc3)n2C[C@H](C)C[NH+]2CCCC2)c1C ZINC001360870350 1066001996 /nfs/dbraw/zinc/00/19/96/1066001996.db2.gz XGVQCVOMTQWIRR-DENIHFKCSA-N 1 0 451.615 4.996 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccco3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001360870772 1066002888 /nfs/dbraw/zinc/00/28/88/1066002888.db2.gz ZBCRISQTYAOSDS-DENIHFKCSA-N 1 0 451.615 4.996 20 0 JJADRO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001441044764 1066003083 /nfs/dbraw/zinc/00/30/83/1066003083.db2.gz PQEBHSCVXUPTHD-BJKOFHAPSA-N 1 0 469.507 4.854 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccco3)n2CC[N@@H+]2CCC[C@H](C)C2)c1C ZINC001360870774 1066003733 /nfs/dbraw/zinc/00/37/33/1066003733.db2.gz ZBCRISQTYAOSDS-SIKLNZKXSA-N 1 0 451.615 4.996 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)cc2)CC1 ZINC001441064844 1066005336 /nfs/dbraw/zinc/00/53/36/1066005336.db2.gz ZUVCTJBCSHUNKE-UHFFFAOYSA-N 1 0 453.583 4.901 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cnc4ncc(Br)cc4c3)cc2)CC1 ZINC001441066208 1066005754 /nfs/dbraw/zinc/00/57/54/1066005754.db2.gz KLJXARVQTPBUCP-UHFFFAOYSA-N 1 0 453.384 4.554 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360872976 1066007482 /nfs/dbraw/zinc/00/74/82/1066007482.db2.gz DGMAUNFVJWUAIL-QPTUXGOLSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CCC(C)C)c1C ZINC001360873274 1066008386 /nfs/dbraw/zinc/00/83/86/1066008386.db2.gz GGFZKJDSBFTKGG-DQEYMECFSA-N 1 0 482.717 4.686 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1C ZINC001360873631 1066009862 /nfs/dbraw/zinc/00/98/62/1066009862.db2.gz HFPSBEFZABQQGS-FCEUIQTBSA-N 1 0 467.614 4.546 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H]4CCCC[C@@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001360873623 1066009953 /nfs/dbraw/zinc/00/99/53/1066009953.db2.gz HAEWKOSZXILAIG-WXFUMESZSA-N 1 0 469.674 4.630 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001360873925 1066010761 /nfs/dbraw/zinc/01/07/61/1066010761.db2.gz LKLWQAGDZFLKGO-NVXWUHKLSA-N 1 0 452.430 4.884 20 0 JJADRO COc1cc(/C=C(/C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc2)ccc1O ZINC001441177805 1066012154 /nfs/dbraw/zinc/01/21/54/1066012154.db2.gz PUSKAOCRSSXYDW-LHLOQNFPSA-N 1 0 456.586 4.765 20 0 JJADRO O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001441193292 1066014699 /nfs/dbraw/zinc/01/46/99/1066014699.db2.gz CHPOBPKWSZKRFW-RCCFBDPRSA-N 1 0 450.467 4.967 20 0 JJADRO CC(C)c1ccc(Oc2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)ccn2)cc1 ZINC001441204096 1066015012 /nfs/dbraw/zinc/01/50/12/1066015012.db2.gz WFCRXRHEZGARFE-UHFFFAOYSA-N 1 0 458.606 4.939 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC(F)(F)F)c1C ZINC001360875419 1066017747 /nfs/dbraw/zinc/01/77/47/1066017747.db2.gz ZNORTDXSZNBJLP-RTBURBONSA-N 1 0 451.537 4.662 20 0 JJADRO CCOC(=O)COc1ccc(OC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001360875998 1066019975 /nfs/dbraw/zinc/01/99/75/1066019975.db2.gz FCLDDWKQBWQFDI-GGXMVOPNSA-N 1 0 473.569 4.624 20 0 JJADRO Cc1cccc(COc2cccc(C(=O)NCCC[N@H+]3CCN(C)C[C@H]3c3ccccc3)c2)c1 ZINC001441247763 1066019989 /nfs/dbraw/zinc/01/99/89/1066019989.db2.gz SXDOYBQXGXAXSM-NDEPHWFRSA-N 1 0 457.618 4.683 20 0 JJADRO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001441247043 1066020182 /nfs/dbraw/zinc/02/01/82/1066020182.db2.gz AGKMUKMGKPMTLZ-QHCPKHFHSA-N 1 0 453.583 4.886 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC=C(Br)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001360875847 1066020108 /nfs/dbraw/zinc/02/01/08/1066020108.db2.gz ZQILQIJDSPIDSN-LJQANCHMSA-N 1 0 476.463 4.864 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@](C)(O)c2ccsc2)c1C ZINC001360877091 1066022110 /nfs/dbraw/zinc/02/21/10/1066022110.db2.gz HRSHVBRTYZAPGU-KDYSTLNUSA-N 1 0 497.709 4.925 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccsc1 ZINC001441306558 1066024211 /nfs/dbraw/zinc/02/42/11/1066024211.db2.gz FTANPDZLKMZTPO-FGZHOGPDSA-N 1 0 457.640 4.609 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CCO[C@@H]2C(C)C)c1C ZINC001360878064 1066024977 /nfs/dbraw/zinc/02/49/77/1066024977.db2.gz QVJBKBYNKKFUQU-VDKIKQQVSA-N 1 0 469.674 4.626 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(Br)c(Cl)c3F)cc2)CC1 ZINC001441311341 1066024989 /nfs/dbraw/zinc/02/49/89/1066024989.db2.gz LBEYOICFOFCPAB-UHFFFAOYSA-N 1 0 454.771 4.631 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCOC2CCOCC2)c1C ZINC001360878750 1066026928 /nfs/dbraw/zinc/02/69/28/1066026928.db2.gz ZQFFILAAJFBJQU-QHCPKHFHSA-N 1 0 499.700 4.541 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCSC[C@H]3C)n2CC2([NH+](C)C)CCCC2)c1C ZINC001360878809 1066027370 /nfs/dbraw/zinc/02/73/70/1066027370.db2.gz AQOVLSIEVYZOIC-CTNGQTDRSA-N 1 0 457.688 4.851 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC001360878873 1066027721 /nfs/dbraw/zinc/02/77/21/1066027721.db2.gz BOOJLVXDRWFMKD-JXKFMYIUSA-N 1 0 469.674 4.628 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOCC4(CC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1C ZINC001360879113 1066029132 /nfs/dbraw/zinc/02/91/32/1066029132.db2.gz GAZVIEWSADCLME-PKTZIBPZSA-N 1 0 469.674 4.628 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@]4(CCO[C@H]4C)C3)n2CC[NH+](C(C)C)C(C)C)c1C ZINC001360879329 1066029952 /nfs/dbraw/zinc/02/99/52/1066029952.db2.gz JQTXESQEPMZNJG-FMGHJNRGSA-N 1 0 499.700 4.538 20 0 JJADRO CC[C@@]1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441343496 1066030825 /nfs/dbraw/zinc/03/08/25/1066030825.db2.gz RAEUWVMKMUHOLN-HYBUGGRVSA-N 1 0 450.023 4.630 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)c1C ZINC001360879593 1066031240 /nfs/dbraw/zinc/03/12/40/1066031240.db2.gz MXAISNKEUHBDCM-LEEZEASISA-N 1 0 469.674 4.769 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC[C@@H]3C)n2CCC[N@H+](C)C2CCCCC2)c1C ZINC001360879955 1066031969 /nfs/dbraw/zinc/03/19/69/1066031969.db2.gz SNRPGJHDMWNXMO-GMAHTHKFSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC2([NH+](C)C)CCC2)c1C ZINC001360880196 1066032739 /nfs/dbraw/zinc/03/27/39/1066032739.db2.gz XMZQQJYCLIIMBK-NHCUHLMSSA-N 1 0 455.647 4.523 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccc(OCC(=O)OC(C)(C)C)c3)cc2)C1 ZINC001441355828 1066032999 /nfs/dbraw/zinc/03/29/99/1066032999.db2.gz OUHMXZLVTOZQCY-HXUWFJFHSA-N 1 0 452.595 4.569 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)C1 ZINC001441355486 1066033077 /nfs/dbraw/zinc/03/30/77/1066033077.db2.gz NKLOJKCQADBFLU-SSOJOUAXSA-N 1 0 457.977 4.911 20 0 JJADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001360881173 1066034209 /nfs/dbraw/zinc/03/42/09/1066034209.db2.gz GQAUSHWPBKEFTP-QHCPKHFHSA-N 1 0 464.658 4.814 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC001360881534 1066034466 /nfs/dbraw/zinc/03/44/66/1066034466.db2.gz UFHUEOVNUGDPEC-UFHPHHKVSA-N 1 0 462.682 4.632 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc3cc(Br)sc3[nH]2)cc1 ZINC001441362675 1066034430 /nfs/dbraw/zinc/03/44/30/1066034430.db2.gz HUTCOAPZYNYQHX-UHFFFAOYSA-N 1 0 450.402 4.643 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(O[C@@H](C)c4ccccc4)cc3)cc2)CC1 ZINC001441362702 1066034483 /nfs/dbraw/zinc/03/44/83/1066034483.db2.gz CKRWTVAQMOKHPV-QHCPKHFHSA-N 1 0 457.618 4.894 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COCCc2ccc(Br)cc2)cc1 ZINC001441361187 1066034653 /nfs/dbraw/zinc/03/46/53/1066034653.db2.gz XZQXIFQUKOBNDP-LJQANCHMSA-N 1 0 459.428 4.699 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001360883037 1066036645 /nfs/dbraw/zinc/03/66/45/1066036645.db2.gz IHAGTLWKSRVMQS-SFHVURJKSA-N 1 0 461.452 4.703 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001360884753 1066038635 /nfs/dbraw/zinc/03/86/35/1066038635.db2.gz FUDVIGBSBBLOJW-KRWDZBQOSA-N 1 0 462.411 4.878 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001360884976 1066039499 /nfs/dbraw/zinc/03/94/99/1066039499.db2.gz NKBWLHLENCBCEL-SFHVURJKSA-N 1 0 461.452 4.703 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001360885138 1066040089 /nfs/dbraw/zinc/04/00/89/1066040089.db2.gz UPRYJRRASXQNGE-UHFFFAOYSA-N 1 0 451.659 4.902 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(Br)ccc1Br ZINC001441443537 1066041159 /nfs/dbraw/zinc/04/11/59/1066041159.db2.gz HOWWIFGUHQGESA-UHFFFAOYSA-N 1 0 454.206 4.982 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001441444879 1066041698 /nfs/dbraw/zinc/04/16/98/1066041698.db2.gz KOVDVSUSWWFHQF-FQEVSTJZSA-N 1 0 453.583 4.885 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001441446497 1066041761 /nfs/dbraw/zinc/04/17/61/1066041761.db2.gz PPRSZZKABOELPW-XMMPIXPASA-N 1 0 453.627 4.669 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001441459087 1066042692 /nfs/dbraw/zinc/04/26/92/1066042692.db2.gz DCVQSWWFWAHHGX-NHCUHLMSSA-N 1 0 450.623 4.979 20 0 JJADRO CC[N@H+](CC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CC1 ZINC001441459585 1066042768 /nfs/dbraw/zinc/04/27/68/1066042768.db2.gz AXDOGKZJDUWWAE-FQEVSTJZSA-N 1 0 452.451 4.755 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001360891717 1066042986 /nfs/dbraw/zinc/04/29/86/1066042986.db2.gz CXZUNUPNXQISKK-UHFFFAOYSA-N 1 0 481.685 4.946 20 0 JJADRO CC1=C(C)CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)C(C)C)CC1 ZINC001360891702 1066043071 /nfs/dbraw/zinc/04/30/71/1066043071.db2.gz BWZZQDGUFDYGKT-UHFFFAOYSA-N 1 0 464.702 4.872 20 0 JJADRO CC1=C(C)CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001360892059 1066043402 /nfs/dbraw/zinc/04/34/02/1066043402.db2.gz JBERISXGDIAHMV-NRFANRHFSA-N 1 0 492.693 4.946 20 0 JJADRO CC1=C(C)CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001360891903 1066043443 /nfs/dbraw/zinc/04/34/43/1066043443.db2.gz GINTYOICLCLZGN-GOSISDBHSA-N 1 0 474.447 4.649 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CSc3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001441463873 1066043533 /nfs/dbraw/zinc/04/35/33/1066043533.db2.gz NICOWUVWDGFLHD-IRXDYDNUSA-N 1 0 451.558 4.987 20 0 JJADRO CSc1ccc([C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)N2CCc3sccc3C2)cc1 ZINC001441465628 1066043728 /nfs/dbraw/zinc/04/37/28/1066043728.db2.gz ITEWUEQPUPICKR-QFIPXVFZSA-N 1 0 457.709 4.950 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC001441469791 1066044101 /nfs/dbraw/zinc/04/41/01/1066044101.db2.gz XKNGOLGLWZUOBQ-JFSTXAPLSA-N 1 0 457.659 4.720 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC001441469784 1066044155 /nfs/dbraw/zinc/04/41/55/1066044155.db2.gz XKNGOLGLWZUOBQ-IYRWYFENSA-N 1 0 457.659 4.720 20 0 JJADRO Cc1nc([C@@H]2CCCN(c3nnc(-c4ccc[nH]4)n3CC[NH+](C(C)C)C(C)C)C2)sc1C ZINC001360893980 1066046031 /nfs/dbraw/zinc/04/60/31/1066046031.db2.gz CRJNISUYMLSAAP-HXUWFJFHSA-N 1 0 455.676 4.849 20 0 JJADRO Cc1nc([C@@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCOCC[NH+](C)C)C2)sc1C ZINC001360894263 1066046856 /nfs/dbraw/zinc/04/68/56/1066046856.db2.gz LTEHKSPHANMGQD-HXUWFJFHSA-N 1 0 489.089 4.634 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001441512781 1066047543 /nfs/dbraw/zinc/04/75/43/1066047543.db2.gz POLBZPHFVNAMKZ-DRLORSAXSA-N 1 0 452.639 4.809 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001441512797 1066048029 /nfs/dbraw/zinc/04/80/29/1066048029.db2.gz POLBZPHFVNAMKZ-XLGIIRLISA-N 1 0 452.639 4.809 20 0 JJADRO Cc1nc([C@H]2CCCN(c3nnc(Cc4ccccn4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)sc1C ZINC001360895377 1066048131 /nfs/dbraw/zinc/04/81/31/1066048131.db2.gz ABRBPTNNECZPEF-JTHBVZDNSA-N 1 0 481.714 4.698 20 0 JJADRO CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001441560703 1066051190 /nfs/dbraw/zinc/05/11/90/1066051190.db2.gz NLIFYHWDMKEDBH-CYFREDJKSA-N 1 0 454.590 4.663 20 0 JJADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001441562499 1066051255 /nfs/dbraw/zinc/05/12/55/1066051255.db2.gz OSCUEEBQFUCEPI-SFHVURJKSA-N 1 0 454.615 4.985 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c1 ZINC001441624259 1066055336 /nfs/dbraw/zinc/05/53/36/1066055336.db2.gz PLBHWBYVKQMOQW-UHFFFAOYSA-N 1 0 455.606 4.868 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1 ZINC001545943569 1066057644 /nfs/dbraw/zinc/05/76/44/1066057644.db2.gz HYBJEYBOUMONKT-QYZOEREBSA-N 1 0 459.612 4.572 20 0 JJADRO CC(C)c1ccc(OC2CCN(C(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)CC2)cc1 ZINC001441672768 1066059831 /nfs/dbraw/zinc/05/98/31/1066059831.db2.gz LFKVINKGLZWITC-UHFFFAOYSA-N 1 0 450.623 4.698 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001360908921 1066064970 /nfs/dbraw/zinc/06/49/70/1066064970.db2.gz JVGMBFRECWFNTA-QHCPKHFHSA-N 1 0 451.014 4.796 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCOCC(F)F ZINC001360911144 1066067759 /nfs/dbraw/zinc/06/77/59/1066067759.db2.gz YAFDLZZMBUVGEW-UHFFFAOYSA-N 1 0 490.624 4.579 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)Cc1cc(OC)c(OC)cc1SC ZINC001360914464 1066070596 /nfs/dbraw/zinc/07/05/96/1066070596.db2.gz XSFYVQPZZJNYKC-IFMALSPDSA-N 1 0 456.652 4.932 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 ZINC001441812100 1066071607 /nfs/dbraw/zinc/07/16/07/1066071607.db2.gz IAZQHXFJCQVIFS-JOCHJYFZSA-N 1 0 452.917 4.958 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)[NH+]1CCCCC1 ZINC001441886758 1066078104 /nfs/dbraw/zinc/07/81/04/1066078104.db2.gz PBZNZXLVBAWHRM-OTDUKCBNSA-N 1 0 454.567 4.600 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1cnn(-c2ccccc2)c1C(F)F)[NH+]1CCCCC1 ZINC001441892045 1066079296 /nfs/dbraw/zinc/07/92/96/1066079296.db2.gz XCFRWPMIADNUHI-NRFANRHFSA-N 1 0 454.521 4.776 20 0 JJADRO Cc1ccsc1CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001360924244 1066080176 /nfs/dbraw/zinc/08/01/76/1066080176.db2.gz LJMQBBWKESTSBJ-UHFFFAOYSA-N 1 0 459.610 4.538 20 0 JJADRO Cc1ncsc1CCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360925821 1066081789 /nfs/dbraw/zinc/08/17/89/1066081789.db2.gz CGYTTXUZKMZFOW-UHFFFAOYSA-N 1 0 486.661 4.562 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001360929315 1066084952 /nfs/dbraw/zinc/08/49/52/1066084952.db2.gz BLVBHCLDSJMTFU-CTNGQTDRSA-N 1 0 485.604 4.596 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360931072 1066088073 /nfs/dbraw/zinc/08/80/73/1066088073.db2.gz ZQFNSNUQQXKCBZ-AZUAARDMSA-N 1 0 455.578 4.827 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)c2ccccc2)CC1 ZINC001442062411 1066088489 /nfs/dbraw/zinc/08/84/89/1066088489.db2.gz LTOMFMHPTWVMCV-RBBKRZOGSA-N 1 0 457.412 4.905 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)c2ccccc2)CC1 ZINC001442063997 1066088676 /nfs/dbraw/zinc/08/86/76/1066088676.db2.gz SCCNBBPOBFISIF-RCZVLFRGSA-N 1 0 457.977 4.952 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360932259 1066089656 /nfs/dbraw/zinc/08/96/56/1066089656.db2.gz JTRGHQVTMYTUTH-INIZCTEOSA-N 1 0 489.487 4.841 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001442071322 1066089724 /nfs/dbraw/zinc/08/97/24/1066089724.db2.gz JKXUJJPEJJYDSX-XZOQPEGZSA-N 1 0 455.643 4.613 20 0 JJADRO CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001442068957 1066089808 /nfs/dbraw/zinc/08/98/08/1066089808.db2.gz FOXFMOCLOOOSPJ-HRAATJIYSA-N 1 0 453.384 4.690 20 0 JJADRO C[C@H]1CCC[C@](CNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)([NH+](C)C)C1 ZINC001442076873 1066090149 /nfs/dbraw/zinc/09/01/49/1066090149.db2.gz BGJIPGIFKMKVAP-BTYIYWSLSA-N 1 0 456.940 4.844 20 0 JJADRO CCN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001442072572 1066090302 /nfs/dbraw/zinc/09/03/02/1066090302.db2.gz LCGDVDKSILBIIN-BKMJKUGQSA-N 1 0 456.586 4.980 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(C)CC1 ZINC001360932630 1066090366 /nfs/dbraw/zinc/09/03/66/1066090366.db2.gz PDTPBTJOXVEMRK-UHFFFAOYSA-N 1 0 475.435 4.696 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC[N@@H+]1C ZINC001360933773 1066091663 /nfs/dbraw/zinc/09/16/63/1066091663.db2.gz MKZGGXVSWSPWNC-APWZRJJASA-N 1 0 457.500 4.508 20 0 JJADRO Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001442111105 1066094998 /nfs/dbraw/zinc/09/49/98/1066094998.db2.gz LFIIIRZGVZQRNX-XMMPIXPASA-N 1 0 451.611 4.589 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 ZINC001442160457 1066098270 /nfs/dbraw/zinc/09/82/70/1066098270.db2.gz MFEPVTFZDPYESX-AMGIVPHBSA-N 1 0 457.574 4.784 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1 ZINC001442163523 1066098767 /nfs/dbraw/zinc/09/87/67/1066098767.db2.gz QPVIPKMRPOICAE-QHCPKHFHSA-N 1 0 457.574 4.856 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1 ZINC001442163512 1066098799 /nfs/dbraw/zinc/09/87/99/1066098799.db2.gz QPVIPKMRPOICAE-HSZRJFAPSA-N 1 0 457.574 4.856 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001360949429 1066104335 /nfs/dbraw/zinc/10/43/35/1066104335.db2.gz GOERZEPGUVDSQE-ROUUACIJSA-N 1 0 472.634 4.518 20 0 JJADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001442227077 1066104416 /nfs/dbraw/zinc/10/44/16/1066104416.db2.gz SSKCLXBQXGOTAP-SQJMNOBHSA-N 1 0 452.639 4.952 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2ccc(F)cc2)n1CCC[NH+]1CCC(C)CC1 ZINC001360949436 1066104834 /nfs/dbraw/zinc/10/48/34/1066104834.db2.gz GRHVXWUVPAIXGG-UHFFFAOYSA-N 1 0 455.578 4.656 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001442247375 1066107961 /nfs/dbraw/zinc/10/79/61/1066107961.db2.gz BLTQRRLZQNSXPL-HLIPFELVSA-N 1 0 452.039 4.779 20 0 JJADRO O=C(c1csc([C@@H]2CCCO2)n1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360952197 1066109152 /nfs/dbraw/zinc/10/91/52/1066109152.db2.gz YPVNCGBXVRNFNC-MJGOQNOKSA-N 1 0 453.530 4.521 20 0 JJADRO CC(C)(C)c1cnc(CCC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)o1 ZINC001360952131 1066109175 /nfs/dbraw/zinc/10/91/75/1066109175.db2.gz WNZZHBONIKUBDH-LJQANCHMSA-N 1 0 451.533 4.818 20 0 JJADRO O=C(c1csc([C@H]2CCCO2)n1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360952196 1066109193 /nfs/dbraw/zinc/10/91/93/1066109193.db2.gz YPVNCGBXVRNFNC-IEBWSBKVSA-N 1 0 453.530 4.521 20 0 JJADRO O=C(Cc1cc(-c2ccccc2)on1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951934 1066109272 /nfs/dbraw/zinc/10/92/72/1066109272.db2.gz ODHLRQKOCZVELD-FQEVSTJZSA-N 1 0 457.496 4.797 20 0 JJADRO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cccs1)[NH+]1CCCC1 ZINC001545947948 1066111884 /nfs/dbraw/zinc/11/18/84/1066111884.db2.gz HHEKOEJYVAKJIW-NRFANRHFSA-N 1 0 466.655 4.720 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001442304292 1066114759 /nfs/dbraw/zinc/11/47/59/1066114759.db2.gz HVILOVCMXPJBRJ-KZNAEPCWSA-N 1 0 454.455 4.952 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2OCC(F)(F)F)cc1)C(C)C ZINC001360958352 1066115096 /nfs/dbraw/zinc/11/50/96/1066115096.db2.gz BTFKWSHEGUWWJS-UHFFFAOYSA-N 1 0 452.473 4.897 20 0 JJADRO Cc1c(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cnn1CC(C)C ZINC001360960359 1066119039 /nfs/dbraw/zinc/11/90/39/1066119039.db2.gz KDPKJTDOPPWBFW-UHFFFAOYSA-N 1 0 485.080 4.513 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC001442394487 1066123609 /nfs/dbraw/zinc/12/36/09/1066123609.db2.gz PKFALQYSIIFIMQ-DEOSSOPVSA-N 1 0 451.611 4.945 20 0 JJADRO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001545948871 1066123671 /nfs/dbraw/zinc/12/36/71/1066123671.db2.gz YUCPUPZIUBTHLT-GGAORHGYSA-N 1 0 452.647 4.504 20 0 JJADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001442427260 1066126917 /nfs/dbraw/zinc/12/69/17/1066126917.db2.gz GITPVHZPPZIDAZ-HNAYVOBHSA-N 1 0 458.430 4.750 20 0 JJADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC001442518792 1066132034 /nfs/dbraw/zinc/13/20/34/1066132034.db2.gz DPQFPUMJAQLCKP-IBGZPJMESA-N 1 0 454.640 4.659 20 0 JJADRO Cc1c(Cn2c(N(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)cnn1CC(C)C ZINC001360977228 1066134271 /nfs/dbraw/zinc/13/42/71/1066134271.db2.gz IZSVNCSDKRIMTB-RUZDIDTESA-N 1 0 477.701 4.886 20 0 JJADRO CCc1c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cnn1-c1ccc(Cl)cc1 ZINC001442550633 1066136226 /nfs/dbraw/zinc/13/62/26/1066136226.db2.gz VCSCTUZUGFNUNY-UHFFFAOYSA-N 1 0 455.027 4.932 20 0 JJADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc(OCc4ccccc4)cs3)CC2)cc1 ZINC001442574620 1066140211 /nfs/dbraw/zinc/14/02/11/1066140211.db2.gz VQQOLEXXYHVQMK-UHFFFAOYSA-N 1 0 450.604 4.978 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)[NH+]2CCCC2)cc1 ZINC001442592599 1066141778 /nfs/dbraw/zinc/14/17/78/1066141778.db2.gz MAEIJQWOWGMEOU-QFIPXVFZSA-N 1 0 458.393 4.509 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC001442597790 1066142839 /nfs/dbraw/zinc/14/28/39/1066142839.db2.gz ZSGGSTAKAGBBJZ-YIXXDRMTSA-N 1 0 451.611 4.688 20 0 JJADRO Cc1ccc([C@H](CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC001442597787 1066142848 /nfs/dbraw/zinc/14/28/48/1066142848.db2.gz ZSGGSTAKAGBBJZ-WNCULLNHSA-N 1 0 451.611 4.688 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360983656 1066143905 /nfs/dbraw/zinc/14/39/05/1066143905.db2.gz DQCXBRPUPDJRLK-BGYRXZFFSA-N 1 0 468.690 4.850 20 0 JJADRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC001442618395 1066145879 /nfs/dbraw/zinc/14/58/79/1066145879.db2.gz QXFWRLGESKVKJZ-HXUWFJFHSA-N 1 0 450.435 4.859 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)[NH+](C)C ZINC001360985416 1066147074 /nfs/dbraw/zinc/14/70/74/1066147074.db2.gz AAPYNEFMTXMQCL-YLJYHZDGSA-N 1 0 494.709 4.773 20 0 JJADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001442657995 1066148072 /nfs/dbraw/zinc/14/80/72/1066148072.db2.gz GVUOPMJRZHJGLL-SJBKTWHCSA-N 1 0 458.647 4.538 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CCCC[NH+]1CCC(C)CC1 ZINC001360985644 1066148422 /nfs/dbraw/zinc/14/84/22/1066148422.db2.gz HOQUHJVYDQSPSP-XMMPIXPASA-N 1 0 496.700 4.724 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@@H+](C)C(C)C ZINC001360986856 1066155306 /nfs/dbraw/zinc/15/53/06/1066155306.db2.gz NUBMVCMXMGMMTQ-AZUAARDMSA-N 1 0 466.095 4.970 20 0 JJADRO C[C@@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)OC(C)(C)C ZINC001442719407 1066155294 /nfs/dbraw/zinc/15/52/94/1066155294.db2.gz FKNBQJXVLQZICE-IEBWSBKVSA-N 1 0 471.564 4.631 20 0 JJADRO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001442719370 1066155311 /nfs/dbraw/zinc/15/53/11/1066155311.db2.gz FFJZNWRHYGXTLA-LJQANCHMSA-N 1 0 458.430 4.721 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCOC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360986956 1066156017 /nfs/dbraw/zinc/15/60/17/1066156017.db2.gz QCBYWSNUYFBGDT-HLAWJBBLSA-N 1 0 488.032 4.809 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC001442726729 1066156110 /nfs/dbraw/zinc/15/61/10/1066156110.db2.gz OCMZKSKUHGUPQM-QGZVFWFLSA-N 1 0 456.458 4.749 20 0 JJADRO CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001442757005 1066157198 /nfs/dbraw/zinc/15/71/98/1066157198.db2.gz AXUVDPFYIMGDPT-IBGZPJMESA-N 1 0 456.384 4.648 20 0 JJADRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001442757435 1066157516 /nfs/dbraw/zinc/15/75/16/1066157516.db2.gz QICOSQJRUXJFPO-DEOSSOPVSA-N 1 0 455.643 4.682 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360987210 1066157599 /nfs/dbraw/zinc/15/75/99/1066157599.db2.gz UWZLTUCKYSFRIX-OYRHEFFESA-N 1 0 468.690 4.536 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC001442761399 1066157929 /nfs/dbraw/zinc/15/79/29/1066157929.db2.gz VCKREFOGVKYRTN-UHFFFAOYSA-N 1 0 457.574 4.666 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001360989227 1066159781 /nfs/dbraw/zinc/15/97/81/1066159781.db2.gz BCZPZJMQILIAIL-PMACEKPBSA-N 1 0 476.065 4.524 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001360989253 1066160045 /nfs/dbraw/zinc/16/00/45/1066160045.db2.gz BPDVGKWTFOIIOY-NRFANRHFSA-N 1 0 490.092 4.916 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360989329 1066160501 /nfs/dbraw/zinc/16/05/01/1066160501.db2.gz CPOHNOIICDSKIY-APWZRJJASA-N 1 0 467.992 4.874 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1CC[NH+]1CCSCC1 ZINC001360989353 1066160718 /nfs/dbraw/zinc/16/07/18/1066160718.db2.gz CVYQZNNQULIXHF-KRWDZBQOSA-N 1 0 486.032 4.583 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001360989455 1066161421 /nfs/dbraw/zinc/16/14/21/1066161421.db2.gz FMUNLKNJWVGKMD-RBBKRZOGSA-N 1 0 476.065 4.525 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CO)CC2)n1CCC[NH+]1CCCCC1 ZINC001360989779 1066163929 /nfs/dbraw/zinc/16/39/29/1066163929.db2.gz KPSDGGOINDVVCD-NRFANRHFSA-N 1 0 490.092 4.773 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001360990213 1066166528 /nfs/dbraw/zinc/16/65/28/1066166528.db2.gz RCKOVOFHIPYIBV-QXUYBEEESA-N 1 0 490.092 4.627 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCCCCO ZINC001360990553 1066168232 /nfs/dbraw/zinc/16/82/32/1066168232.db2.gz XIMYSNZCVHHOFF-GMAHTHKFSA-N 1 0 490.092 4.916 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC(C)(C)C2)n1CCOCC[NH+](C)C ZINC001360991397 1066169759 /nfs/dbraw/zinc/16/97/59/1066169759.db2.gz BRPNOBTVENYNKN-LJQANCHMSA-N 1 0 496.121 4.598 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001360991494 1066169976 /nfs/dbraw/zinc/16/99/76/1066169976.db2.gz DCUXNOWLWWHSFU-IRLDBZIGSA-N 1 0 478.081 4.890 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1=CCCOC1 ZINC001360992226 1066171352 /nfs/dbraw/zinc/17/13/52/1066171352.db2.gz LEXHDJOPPWEIFZ-HXUWFJFHSA-N 1 0 488.076 4.956 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360993100 1066172891 /nfs/dbraw/zinc/17/28/91/1066172891.db2.gz YPPGVPOXXDRIAT-JMUQELJHSA-N 1 0 490.092 4.891 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360993101 1066173081 /nfs/dbraw/zinc/17/30/81/1066173081.db2.gz YPPGVPOXXDRIAT-RZFNWQHOSA-N 1 0 490.092 4.891 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)c(C)o1 ZINC001360994388 1066173586 /nfs/dbraw/zinc/17/35/86/1066173586.db2.gz JQGRHOWFWSZZGX-HXUWFJFHSA-N 1 0 492.668 4.531 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(-c4cccc(Cl)c4)n3CC[N@@H+](C)C(C)C)CC2)c(C)o1 ZINC001360994883 1066174084 /nfs/dbraw/zinc/17/40/84/1066174084.db2.gz DEPJLDDKYSCEKK-UHFFFAOYSA-N 1 0 499.059 4.547 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccccc4C)n3CCC[N@@H+](C)C(C)C)CC2)c(C)o1 ZINC001360995417 1066174529 /nfs/dbraw/zinc/17/45/29/1066174529.db2.gz VKVMDESTLAMPAN-UHFFFAOYSA-N 1 0 492.668 4.592 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001360996177 1066174898 /nfs/dbraw/zinc/17/48/98/1066174898.db2.gz CXIOWDBBGCJGNY-SIKLNZKXSA-N 1 0 455.624 4.859 20 0 JJADRO Cc1cc([C@](C)(O)Cn2c(CC3CCCC3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c(C)o1 ZINC001361003121 1066180467 /nfs/dbraw/zinc/18/04/67/1066180467.db2.gz OSPOIOGRIFSCQG-HHHXNRCGSA-N 1 0 471.690 4.685 20 0 JJADRO Cc1cc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(C)c1 ZINC001361011083 1066193425 /nfs/dbraw/zinc/19/34/25/1066193425.db2.gz HYJWAVYPXHEPPM-DQEYMECFSA-N 1 0 480.745 4.835 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)c(C)c1 ZINC001361014850 1066202176 /nfs/dbraw/zinc/20/21/76/1066202176.db2.gz UPMDARIZMUKJAS-UHFFFAOYSA-N 1 0 468.690 4.599 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361018312 1066207910 /nfs/dbraw/zinc/20/79/10/1066207910.db2.gz LCJBXSIIKPMETQ-FCHUYYIVSA-N 1 0 457.688 4.536 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361018316 1066207994 /nfs/dbraw/zinc/20/79/94/1066207994.db2.gz LCJBXSIIKPMETQ-FGZHOGPDSA-N 1 0 457.688 4.536 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCSC3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361019239 1066209192 /nfs/dbraw/zinc/20/91/92/1066209192.db2.gz YBGQOWWBLXKPCA-LADGPHEKSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001361021373 1066214391 /nfs/dbraw/zinc/21/43/91/1066214391.db2.gz VZNHHLBCKFUICB-UHFFFAOYSA-N 1 0 482.698 4.997 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001361021551 1066215082 /nfs/dbraw/zinc/21/50/82/1066215082.db2.gz YVMWNLYWALYDNC-HSZRJFAPSA-N 1 0 476.650 4.870 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CC3CC(F)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001361021908 1066215644 /nfs/dbraw/zinc/21/56/44/1066215644.db2.gz ADOXKLRQKSBUBE-UVKLAMSESA-N 1 0 457.638 4.780 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CC3CCCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001361022309 1066217461 /nfs/dbraw/zinc/21/74/61/1066217461.db2.gz MMWOYBFXKQIXOZ-UHFFFAOYSA-N 1 0 482.717 4.516 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361022558 1066217864 /nfs/dbraw/zinc/21/78/64/1066217864.db2.gz UWLSSXNLRPOFMC-PXNSSMCTSA-N 1 0 467.580 4.983 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361023904 1066220488 /nfs/dbraw/zinc/22/04/88/1066220488.db2.gz FRILZAUHHIHHMC-QLWBXOBMSA-N 1 0 457.688 4.536 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001361023890 1066220628 /nfs/dbraw/zinc/22/06/28/1066220628.db2.gz FQMAABIPNPSCCF-UNMCSNQZSA-N 1 0 483.682 4.842 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001361024366 1066221820 /nfs/dbraw/zinc/22/18/20/1066221820.db2.gz LDWWQIFGENMTFT-FUPPJEDESA-N 1 0 451.615 4.852 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)CCOc2ccc(Cl)cc2Br)[NH+]2CCCC2)o1 ZINC001442870958 1066235292 /nfs/dbraw/zinc/23/52/92/1066235292.db2.gz GJBHEVLTHJJSHP-QGZVFWFLSA-N 1 0 455.780 4.726 20 0 JJADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)Cc3ccccc3Oc3ccc(C)cc3)C2)ccn1 ZINC001454018452 1066235793 /nfs/dbraw/zinc/23/57/93/1066235793.db2.gz XGTORBHWAUMIOW-SANMLTNESA-N 1 0 459.590 4.856 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cc(C)on1)[NH+]1CCCC1 ZINC001545952593 1066237954 /nfs/dbraw/zinc/23/79/54/1066237954.db2.gz MPMKCNBMQPYULJ-GHTZIAJQSA-N 1 0 473.021 4.879 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CCCC(C)(C)C)c1 ZINC001361031042 1066239551 /nfs/dbraw/zinc/23/95/51/1066239551.db2.gz GEZYUQOTOUHQOX-VWLOTQADSA-N 1 0 496.744 4.905 20 0 JJADRO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@]34CCC[C@@H]3N(C(=O)OC(C)(C)C)CC4)c2)CC1 ZINC001442925770 1066241517 /nfs/dbraw/zinc/24/15/17/1066241517.db2.gz CIWNMGRXBFYIKZ-WNCULLNHSA-N 1 0 455.643 4.714 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001454132738 1066249350 /nfs/dbraw/zinc/24/93/50/1066249350.db2.gz WYNQVCQEHRIRDH-YCRPNKLZSA-N 1 0 451.442 4.917 20 0 JJADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC001443016667 1066253944 /nfs/dbraw/zinc/25/39/44/1066253944.db2.gz QZFNNLOFPFJTPQ-OYRHEFFESA-N 1 0 456.030 4.550 20 0 JJADRO CC[C@@H](C)c1nnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545953127 1066254267 /nfs/dbraw/zinc/25/42/67/1066254267.db2.gz UKKRKAAURUHFJF-AZOUXBGGSA-N 1 0 496.700 4.663 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCSC(F)(F)F)c1 ZINC001361036117 1066255150 /nfs/dbraw/zinc/25/51/50/1066255150.db2.gz ZJIVMHPTFOXEIN-UHFFFAOYSA-N 1 0 483.604 4.792 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001361038780 1066258497 /nfs/dbraw/zinc/25/84/97/1066258497.db2.gz OVJQEPXESCSWOC-ILBGXUMGSA-N 1 0 469.674 4.600 20 0 JJADRO 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Cc1cc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c2ccccc2n1 ZINC001361045688 1066271161 /nfs/dbraw/zinc/27/11/61/1066271161.db2.gz FVUPXDOFLVEDSI-IBGZPJMESA-N 1 0 490.574 4.547 20 0 JJADRO C[NH+](C)CCCN(C(=O)c1ccc(C(F)(F)F)c(=O)[nH]1)C(c1ccccc1)c1ccccc1 ZINC001443148613 1066272912 /nfs/dbraw/zinc/27/29/12/1066272912.db2.gz AFWQJSCKWPTIJX-UHFFFAOYSA-N 1 0 457.496 4.990 20 0 JJADRO COc1cccc(C[C@H]2CN(C(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)CC[NH2+]2)c1 ZINC001454342404 1066273053 /nfs/dbraw/zinc/27/30/53/1066273053.db2.gz DYQCXVZFUZDQAK-FQEVSTJZSA-N 1 0 454.929 4.937 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2cc(C)nc3ccccc32)n1CCC[N@@H+](C)C(C)C ZINC001361046077 1066273593 /nfs/dbraw/zinc/27/35/93/1066273593.db2.gz UKWCLUIABFPRBC-UHFFFAOYSA-N 1 0 463.655 4.933 20 0 JJADRO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)c1 ZINC001454394602 1066276538 /nfs/dbraw/zinc/27/65/38/1066276538.db2.gz BBEYJFQILTZRJC-KAYWLYCHSA-N 1 0 451.586 4.795 20 0 JJADRO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001454394096 1066276740 /nfs/dbraw/zinc/27/67/40/1066276740.db2.gz ANJUVVCBVAADJL-WMPKNSHKSA-N 1 0 457.659 4.688 20 0 JJADRO Cc1ccc(-n2ncc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)cc1 ZINC001361047975 1066276886 /nfs/dbraw/zinc/27/68/86/1066276886.db2.gz NTPAJEOOAMRQGW-AVRDEDQJSA-N 1 0 456.512 4.840 20 0 JJADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 ZINC001443191215 1066278061 /nfs/dbraw/zinc/27/80/61/1066278061.db2.gz YJXFBCSGKANPSD-UHFFFAOYSA-N 1 0 454.977 4.877 20 0 JJADRO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC001454404738 1066279027 /nfs/dbraw/zinc/27/90/27/1066279027.db2.gz MQXHQKIRJKFUEW-FOIQADDNSA-N 1 0 458.393 4.523 20 0 JJADRO Cc1sc2ncnc(SCCC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C)c2c1C ZINC001454408323 1066280015 /nfs/dbraw/zinc/28/00/15/1066280015.db2.gz SSXLOACOJXZLET-JXFKEZNVSA-N 1 0 454.665 4.817 20 0 JJADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cc1csc(-c2sccc2Br)n1 ZINC001443218118 1066281675 /nfs/dbraw/zinc/28/16/75/1066281675.db2.gz QWRMYCWDPIMVDB-UHFFFAOYSA-N 1 0 456.475 4.900 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001443261357 1066286397 /nfs/dbraw/zinc/28/63/97/1066286397.db2.gz FLXFQRUCGGAERY-RBUKOAKNSA-N 1 0 468.560 4.886 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C[C@@H]1CC)[NH+]1CCCC1 ZINC001545956339 1066287040 /nfs/dbraw/zinc/28/70/40/1066287040.db2.gz AMSFZNVNEBKSCG-NZSAHSFTSA-N 1 0 463.468 4.545 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCOc3c(F)cccc32)CC1 ZINC001443265268 1066287307 /nfs/dbraw/zinc/28/73/07/1066287307.db2.gz LJDSVEUUULCCIU-FQEVSTJZSA-N 1 0 450.476 4.834 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001546062107 1066290416 /nfs/dbraw/zinc/29/04/16/1066290416.db2.gz KZKYXWJXYPSJRZ-ATIYNZHBSA-N 1 0 469.674 4.772 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(CC(C)C)C(C)C)[NH+]1CCCC1 ZINC001545956913 1066294901 /nfs/dbraw/zinc/29/49/01/1066294901.db2.gz LBALBESJNSNBPD-LJQANCHMSA-N 1 0 465.484 4.791 20 0 JJADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC(=O)c1ccc(Cl)cc1F ZINC001454540096 1066297761 /nfs/dbraw/zinc/29/77/61/1066297761.db2.gz HWPVEMIHNYIPMD-YIXXDRMTSA-N 1 0 464.968 4.868 20 0 JJADRO Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361060153 1066299511 /nfs/dbraw/zinc/29/95/11/1066299511.db2.gz KQPQNCTZJNGSBI-LADGPHEKSA-N 1 0 496.700 4.822 20 0 JJADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC001443356987 1066299974 /nfs/dbraw/zinc/29/99/74/1066299974.db2.gz MDLYRLHNRRKTRU-UHFFFAOYSA-N 1 0 456.630 4.774 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CCCSC)[NH+]1CCCC1 ZINC001545957640 1066302464 /nfs/dbraw/zinc/30/24/64/1066302464.db2.gz ZDVKDFNAGPXRJV-FQEVSTJZSA-N 1 0 452.672 4.865 20 0 JJADRO Cc1cc(CN(C)c2nnc(CCCc3ccccc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)no1 ZINC001361064814 1066304160 /nfs/dbraw/zinc/30/41/60/1066304160.db2.gz SMUJEISCMBSQDJ-QHCPKHFHSA-N 1 0 450.631 4.507 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001545958326 1066308529 /nfs/dbraw/zinc/30/85/29/1066308529.db2.gz AYAKBZOIDHIKLT-IPELMVKDSA-N 1 0 471.955 4.629 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001546063737 1066309180 /nfs/dbraw/zinc/30/91/80/1066309180.db2.gz BKKKDTOWKJZDAC-GJZUVCINSA-N 1 0 455.647 4.709 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001546063736 1066309355 /nfs/dbraw/zinc/30/93/55/1066309355.db2.gz BKKKDTOWKJZDAC-BKMJKUGQSA-N 1 0 455.647 4.709 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)CCCC(=O)c2ccccc2)cc1 ZINC001454633502 1066313316 /nfs/dbraw/zinc/31/33/16/1066313316.db2.gz LHDGUCCRPJJXMP-RRPNLBNLSA-N 1 0 456.586 4.833 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)cc2)CC1 ZINC001361072856 1066313599 /nfs/dbraw/zinc/31/35/99/1066313599.db2.gz SJAIJUVRQZASTD-UHFFFAOYSA-N 1 0 456.015 4.565 20 0 JJADRO CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@](C)(OC)C1)[NH+]1CCCC1 ZINC001545959452 1066315176 /nfs/dbraw/zinc/31/51/76/1066315176.db2.gz WGMIHGYALZPQFK-JPYJTQIMSA-N 1 0 494.453 4.726 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC1CC1)[NH+]1CCCC1 ZINC001545959446 1066315244 /nfs/dbraw/zinc/31/52/44/1066315244.db2.gz WBTLGERRTDNIRA-SFHVURJKSA-N 1 0 464.427 4.957 20 0 JJADRO Cc1cc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)no1 ZINC001361083995 1066322708 /nfs/dbraw/zinc/32/27/08/1066322708.db2.gz KFSHCMIJHGRZQI-UHFFFAOYSA-N 1 0 475.062 4.879 20 0 JJADRO CC[C@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545959576 1066322728 /nfs/dbraw/zinc/32/27/28/1066322728.db2.gz YSJGCLJZPWLDCS-NHCUHLMSSA-N 1 0 485.673 4.718 20 0 JJADRO COc1ccc(Cl)cc1NCCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001443537231 1066326533 /nfs/dbraw/zinc/32/65/33/1066326533.db2.gz HRZKIDXEVCMBRF-UHFFFAOYSA-N 1 0 450.410 4.929 20 0 JJADRO CC1(C)CN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001443547600 1066327789 /nfs/dbraw/zinc/32/77/89/1066327789.db2.gz GFFIBTWNXUONSS-HHHXNRCGSA-N 1 0 458.602 4.812 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001443557030 1066328416 /nfs/dbraw/zinc/32/84/16/1066328416.db2.gz YZFUPEPGAQBTSP-QHCPKHFHSA-N 1 0 451.611 4.766 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001361087967 1066328542 /nfs/dbraw/zinc/32/85/42/1066328542.db2.gz DKKWPOAVGNKIOG-IRLDBZIGSA-N 1 0 490.092 4.599 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001443551709 1066328861 /nfs/dbraw/zinc/32/88/61/1066328861.db2.gz OZWHTPYRYWWWIH-PKTZIBPZSA-N 1 0 457.659 4.973 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001361088665 1066332178 /nfs/dbraw/zinc/33/21/78/1066332178.db2.gz XUWQHHAPYBBXJD-JOCHJYFZSA-N 1 0 490.092 4.599 20 0 JJADRO CCCCN(C(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001443587315 1066333129 /nfs/dbraw/zinc/33/31/29/1066333129.db2.gz BYJYBAKPHDFLLM-UHFFFAOYSA-N 1 0 456.631 4.500 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C)C1)[NH+]1CCCC1 ZINC001545960344 1066333505 /nfs/dbraw/zinc/33/35/05/1066333505.db2.gz BJFUJQIQCGFUCB-GJZGRUSLSA-N 1 0 470.506 4.585 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C)C1)[NH+]1CCCC1 ZINC001545960346 1066333632 /nfs/dbraw/zinc/33/36/32/1066333632.db2.gz BJFUJQIQCGFUCB-LSDHHAIUSA-N 1 0 470.506 4.585 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001361088998 1066333754 /nfs/dbraw/zinc/33/37/54/1066333754.db2.gz OPHAKLIKNWJTSC-ICSRJNTNSA-N 1 0 460.066 4.971 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001361088999 1066333903 /nfs/dbraw/zinc/33/39/03/1066333903.db2.gz OPHAKLIKNWJTSC-QUCCMNQESA-N 1 0 460.066 4.971 20 0 JJADRO Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001454854931 1066336840 /nfs/dbraw/zinc/33/68/40/1066336840.db2.gz SUNMGDYHACMQNQ-VWNXMTODSA-N 1 0 451.611 4.732 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@H+](C)CCCOC)C1 ZINC001546066004 1066337833 /nfs/dbraw/zinc/33/78/33/1066337833.db2.gz FDRRWUSBSIAXSA-HSZRJFAPSA-N 1 0 478.479 4.611 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCc1ccccn1 ZINC001361090140 1066338635 /nfs/dbraw/zinc/33/86/35/1066338635.db2.gz BDXPEEJBVLKECX-UHFFFAOYSA-N 1 0 497.087 4.810 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1CCCS1 ZINC001361090952 1066339980 /nfs/dbraw/zinc/33/99/80/1066339980.db2.gz LHXLICYDIPFNKH-JOCHJYFZSA-N 1 0 492.133 4.925 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001361091156 1066340461 /nfs/dbraw/zinc/34/04/61/1066340461.db2.gz NIMNYKSHURMIIE-DWLFOUALSA-N 1 0 478.056 4.778 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCCSC1 ZINC001361092042 1066342463 /nfs/dbraw/zinc/34/24/63/1066342463.db2.gz YQWIEQHVNQZVTJ-OAQYLSRUSA-N 1 0 492.133 4.925 20 0 JJADRO Cc1cc(F)ccc1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001361094702 1066345066 /nfs/dbraw/zinc/34/50/66/1066345066.db2.gz IFNLZMVSWZDFAY-DHIUTWEWSA-N 1 0 484.708 4.552 20 0 JJADRO O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001443714063 1066356047 /nfs/dbraw/zinc/35/60/47/1066356047.db2.gz BPQFKYOLPIUALS-OAQYLSRUSA-N 1 0 454.014 4.859 20 0 JJADRO CCCC[N@H+](C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001443722795 1066356864 /nfs/dbraw/zinc/35/68/64/1066356864.db2.gz GXUUPXBOQHXUBO-UHFFFAOYSA-N 1 0 455.400 4.764 20 0 JJADRO Cc1cccc(O[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001361109632 1066357813 /nfs/dbraw/zinc/35/78/13/1066357813.db2.gz CKDCHEIAZCMOGY-HSZRJFAPSA-N 1 0 476.669 4.596 20 0 JJADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001455096808 1066359788 /nfs/dbraw/zinc/35/97/88/1066359788.db2.gz INAGCXCGWBHGBY-AREMUKBSSA-N 1 0 457.615 4.898 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)co1 ZINC001455119036 1066363582 /nfs/dbraw/zinc/36/35/82/1066363582.db2.gz FXJIMVLPAXSBRW-NRFANRHFSA-N 1 0 454.571 4.985 20 0 JJADRO Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361112476 1066363615 /nfs/dbraw/zinc/36/36/15/1066363615.db2.gz XWRQZYXXKZGJKU-TZRRMPRUSA-N 1 0 483.701 4.752 20 0 JJADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC001443764275 1066363944 /nfs/dbraw/zinc/36/39/44/1066363944.db2.gz UWPSNIMRUCKVFN-YFHOEESVSA-N 1 0 452.396 4.570 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001361113909 1066364875 /nfs/dbraw/zinc/36/48/75/1066364875.db2.gz WWILCQWNSRVNAB-NRFANRHFSA-N 1 0 496.725 4.968 20 0 JJADRO CC(C)N1C(=O)C[C@H](C(=O)N(C)CCCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001455200345 1066369893 /nfs/dbraw/zinc/36/98/93/1066369893.db2.gz UYSZXJHASPWZHH-CVDCTZTESA-N 1 0 452.014 4.502 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](COC(C)C)C1)[NH+]1CCCC1 ZINC001545962454 1066370094 /nfs/dbraw/zinc/37/00/94/1066370094.db2.gz CRWIWLXUZZJYBR-RPBOFIJWSA-N 1 0 483.701 4.747 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361124064 1066376678 /nfs/dbraw/zinc/37/66/78/1066376678.db2.gz VUBOOABLBCWTOT-ZEQRLZLVSA-N 1 0 483.701 4.882 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H]3CCOC3)n2CC[NH+]2CCCCCC2)c1 ZINC001361124102 1066377221 /nfs/dbraw/zinc/37/72/21/1066377221.db2.gz XAEKDZIGCSXWQB-HSZRJFAPSA-N 1 0 469.674 4.638 20 0 JJADRO CC1(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001443881469 1066380531 /nfs/dbraw/zinc/38/05/31/1066380531.db2.gz KFPRDNMLJFTXAR-HSZRJFAPSA-N 1 0 458.021 4.862 20 0 JJADRO O=C(c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001455306827 1066382136 /nfs/dbraw/zinc/38/21/36/1066382136.db2.gz STKHJFKKUNICEZ-INIZCTEOSA-N 1 0 450.366 4.554 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361126373 1066384317 /nfs/dbraw/zinc/38/43/17/1066384317.db2.gz QVAGSQTYVJLCOK-TZRRMPRUSA-N 1 0 483.701 4.738 20 0 JJADRO C[C@H]([NH2+]C1(CNC(=O)Cc2csc([C@@H]3CC[C@@H](C)CC3)n2)CCOCC1)c1ccccc1 ZINC001443933064 1066386399 /nfs/dbraw/zinc/38/63/99/1066386399.db2.gz XPNOLYCABULZBO-ONTIZHBOSA-N 1 0 455.668 4.996 20 0 JJADRO C[C@H]([NH2+]C1(CNC(=O)c2cc(-c3cccc(Cl)c3F)no2)CCOCC1)c1ccccc1 ZINC001443927565 1066386441 /nfs/dbraw/zinc/38/64/41/1066386441.db2.gz ODBFKIDSEDHFJE-INIZCTEOSA-N 1 0 457.933 4.764 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@H](CO)c2ccc(Cl)cc2)c1 ZINC001455420814 1066388495 /nfs/dbraw/zinc/38/84/95/1066388495.db2.gz NUWGNAFRIOABBL-FXVJXKIMSA-N 1 0 463.021 4.756 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361127941 1066390575 /nfs/dbraw/zinc/39/05/75/1066390575.db2.gz QOIUFPLGMVMGGF-MUUNZHRXSA-N 1 0 495.668 4.756 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCC[C@@H](O)C2)c1 ZINC001361128273 1066391681 /nfs/dbraw/zinc/39/16/81/1066391681.db2.gz VXWUNXRAFYIZIG-ISKFKSNPSA-N 1 0 483.701 4.807 20 0 JJADRO CC[NH+]1CCN(CCC(=O)Nc2ccc(-c3nc4ccc(F)cc4n3C(C)C)cc2C)CC1 ZINC001444000427 1066393403 /nfs/dbraw/zinc/39/34/03/1066393403.db2.gz JTMGCDUFEBAQMM-UHFFFAOYSA-N 1 0 451.590 4.698 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC001455495221 1066397745 /nfs/dbraw/zinc/39/77/45/1066397745.db2.gz OSFHQJAMZZATKE-QHCPKHFHSA-N 1 0 457.659 4.975 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@@H]3C)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001361131659 1066400086 /nfs/dbraw/zinc/40/00/86/1066400086.db2.gz NKIDFUBKBGDCGD-QFIPXVFZSA-N 1 0 469.674 4.779 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001361131786 1066400722 /nfs/dbraw/zinc/40/07/22/1066400722.db2.gz QEIPBTPFGPOSCM-MZKUHISZSA-N 1 0 497.728 4.864 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001361132044 1066401772 /nfs/dbraw/zinc/40/17/72/1066401772.db2.gz UBJFFYKGNFJHTN-JOCHJYFZSA-N 1 0 471.715 4.961 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCC1 ZINC001545964468 1066403173 /nfs/dbraw/zinc/40/31/73/1066403173.db2.gz FDFRDXSWCUFQIT-GOSISDBHSA-N 1 0 452.018 4.863 20 0 JJADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccn1-c1c(Cl)cccc1Cl ZINC001444093702 1066404918 /nfs/dbraw/zinc/40/49/18/1066404918.db2.gz YKXHXEXKTRNEJF-UHFFFAOYSA-N 1 0 458.389 4.671 20 0 JJADRO C[C@H]([NH2+]C1(CNC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)CCCC1)c1ccccc1 ZINC001444095218 1066405539 /nfs/dbraw/zinc/40/55/39/1066405539.db2.gz WUZWEMVPENDYKL-OALUTQOASA-N 1 0 457.615 4.666 20 0 JJADRO Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)[NH+]2CCCC2)cc1 ZINC001361134404 1066406240 /nfs/dbraw/zinc/40/62/40/1066406240.db2.gz CXKLOULEECAESV-XZOQPEGZSA-N 1 0 482.673 4.650 20 0 JJADRO CN(Cc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001455586048 1066413262 /nfs/dbraw/zinc/41/32/62/1066413262.db2.gz UTYRDUZSTGULRA-WOJBJXKFSA-N 1 0 455.357 4.728 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001361139508 1066414988 /nfs/dbraw/zinc/41/49/88/1066414988.db2.gz KTPSWRRUHLDEJC-HSZRJFAPSA-N 1 0 493.059 4.592 20 0 JJADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)C2)n1 ZINC001361139644 1066415813 /nfs/dbraw/zinc/41/58/13/1066415813.db2.gz NCXXFZKHBBUJKS-RPWUZVMVSA-N 1 0 478.689 4.528 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001361139509 1066415913 /nfs/dbraw/zinc/41/59/13/1066415913.db2.gz KTPSWRRUHLDEJC-QHCPKHFHSA-N 1 0 493.059 4.592 20 0 JJADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)C2)n1 ZINC001361139645 1066415921 /nfs/dbraw/zinc/41/59/21/1066415921.db2.gz NCXXFZKHBBUJKS-ZEQRLZLVSA-N 1 0 478.689 4.528 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)o1 ZINC001361139972 1066416329 /nfs/dbraw/zinc/41/63/29/1066416329.db2.gz SGZMMXGKBQVGMW-JOCHJYFZSA-N 1 0 494.640 4.515 20 0 JJADRO Cc1ccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC001361140043 1066417138 /nfs/dbraw/zinc/41/71/38/1066417138.db2.gz UIIYHLMIJBNGSI-OAQYLSRUSA-N 1 0 477.575 4.895 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@@H](C)C2)[NH+](C)C)cc1 ZINC001361140056 1066417168 /nfs/dbraw/zinc/41/71/68/1066417168.db2.gz UOPBWQORVRQQHK-FXAWDEMLSA-N 1 0 457.047 4.547 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001361140588 1066417764 /nfs/dbraw/zinc/41/77/64/1066417764.db2.gz DJBQYWJYAKEYSU-QPPBQGQZSA-N 1 0 482.717 4.564 20 0 JJADRO Cc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](C)CC2)[NH+](C)C)cc1 ZINC001361140937 1066419301 /nfs/dbraw/zinc/41/93/01/1066419301.db2.gz JEFMSJUELQLWCD-KNQAVFIVSA-N 1 0 480.682 4.507 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C)CC2)[NH+](C)C)cc1 ZINC001361140939 1066419379 /nfs/dbraw/zinc/41/93/79/1066419379.db2.gz JEFMSJUELQLWCD-SIKLNZKXSA-N 1 0 480.682 4.507 20 0 JJADRO Cc1ccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)OC(C)(C)C2)[NH+](C)C)cc1 ZINC001361141268 1066420287 /nfs/dbraw/zinc/42/02/87/1066420287.db2.gz LVYXPSULTHTBMB-MZURWIMNSA-N 1 0 483.701 4.812 20 0 JJADRO Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC001361141155 1066420309 /nfs/dbraw/zinc/42/03/09/1066420309.db2.gz KPDOHQJAFWRJTQ-OAQYLSRUSA-N 1 0 470.712 4.577 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCCC1 ZINC001545965303 1066420971 /nfs/dbraw/zinc/42/09/71/1066420971.db2.gz VFLNFUKRFKVVPW-WMZOPIPTSA-N 1 0 494.453 4.725 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C)(C)CC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC001361141653 1066421796 /nfs/dbraw/zinc/42/17/96/1066421796.db2.gz PRDAMQDMTZRPGV-QFIPXVFZSA-N 1 0 452.672 4.872 20 0 JJADRO Cc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC001361142458 1066424162 /nfs/dbraw/zinc/42/41/62/1066424162.db2.gz ZRBCJOKWSVBQAL-IFMALSPDSA-N 1 0 472.559 4.654 20 0 JJADRO Cc1ccc(C)c(N2CCN(c3nnc(Cc4ccsc4)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001361143929 1066425524 /nfs/dbraw/zinc/42/55/24/1066425524.db2.gz ATLJKOIRANNXRH-UHFFFAOYSA-N 1 0 480.726 4.993 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001361145636 1066428787 /nfs/dbraw/zinc/42/87/87/1066428787.db2.gz DSAOUVLXNNPWBD-VXKWHMMOSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361145929 1066430045 /nfs/dbraw/zinc/43/00/45/1066430045.db2.gz NAPLEMWAQNAJCK-NRFANRHFSA-N 1 0 457.688 4.538 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001361148216 1066433718 /nfs/dbraw/zinc/43/37/18/1066433718.db2.gz DMYRBJZOMUXSSU-NRFANRHFSA-N 1 0 468.671 4.831 20 0 JJADRO CCc1nc(-c2ccc(C(=O)Nc3ccc(C[N@H+](C)CCOc4ccccc4)cc3)cc2)n[nH]1 ZINC001455810416 1066435420 /nfs/dbraw/zinc/43/54/20/1066435420.db2.gz JKSZREDYTHZXHW-UHFFFAOYSA-N 1 0 455.562 4.797 20 0 JJADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC001444254529 1066435716 /nfs/dbraw/zinc/43/57/16/1066435716.db2.gz QLDSAQSHOGDENZ-UHFFFAOYSA-N 1 0 453.384 4.736 20 0 JJADRO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCCCN2Cc2cccnc2)cc1 ZINC001455812550 1066435956 /nfs/dbraw/zinc/43/59/56/1066435956.db2.gz WTXJSFLCTNMJJN-MHZLTWQESA-N 1 0 458.606 4.586 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361148731 1066436653 /nfs/dbraw/zinc/43/66/53/1066436653.db2.gz UVEUFAYJEWJFRE-XWGVYQGASA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001361148842 1066437258 /nfs/dbraw/zinc/43/72/58/1066437258.db2.gz ZAIQCEOJXLMPRX-LOSJGSFVSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001361151346 1066442707 /nfs/dbraw/zinc/44/27/07/1066442707.db2.gz HMIWFZLCPOAGQA-UNMCSNQZSA-N 1 0 483.682 4.842 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361151932 1066444807 /nfs/dbraw/zinc/44/48/07/1066444807.db2.gz GLDWRUZDJGKJDG-BJKOFHAPSA-N 1 0 483.701 4.703 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361151901 1066444832 /nfs/dbraw/zinc/44/48/32/1066444832.db2.gz GFERXMDCRNGNNI-HFZDXXHNSA-N 1 0 471.715 4.784 20 0 JJADRO CC1([NH+]2CCCC2)CCC(NC(=O)[C@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC1 ZINC001455884512 1066445197 /nfs/dbraw/zinc/44/51/97/1066445197.db2.gz AUSBLGBUKUQEGO-HVJPQTFZSA-N 1 0 451.630 4.940 20 0 JJADRO CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444325395 1066449087 /nfs/dbraw/zinc/44/90/87/1066449087.db2.gz VWZGWVJBLUYAFZ-RBZQAINGSA-N 1 0 455.643 4.679 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCc2nccs2)c1 ZINC001361154947 1066451634 /nfs/dbraw/zinc/45/16/34/1066451634.db2.gz HCAVKXSWOHHBED-UHFFFAOYSA-N 1 0 482.698 4.730 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(COc4cc(C)ccc4C)n3CC[N@@H+](C)C(C)C)CC2)n1 ZINC001361154763 1066451798 /nfs/dbraw/zinc/45/17/98/1066451798.db2.gz GCCWMQMOHXNVMC-UHFFFAOYSA-N 1 0 493.700 4.544 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361155015 1066452400 /nfs/dbraw/zinc/45/24/00/1066452400.db2.gz IZMSXRGHHGKRAK-DQEYMECFSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361155016 1066452465 /nfs/dbraw/zinc/45/24/65/1066452465.db2.gz IZMSXRGHHGKRAK-JWQCQUIFSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCC[NH+]2CCCC2)c1 ZINC001361155353 1066454136 /nfs/dbraw/zinc/45/41/36/1066454136.db2.gz SPRLJYNAFIKZEN-UHFFFAOYSA-N 1 0 469.674 4.744 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CCCC(C)C)c1 ZINC001361155451 1066454318 /nfs/dbraw/zinc/45/43/18/1066454318.db2.gz UJBUXLNKJUZFSK-RUZDIDTESA-N 1 0 482.717 4.515 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001546077770 1066456395 /nfs/dbraw/zinc/45/63/95/1066456395.db2.gz VUOCEENMCFJEOC-AMGIVPHBSA-N 1 0 453.675 4.819 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[NH+]2CCCCC2)c1 ZINC001361156384 1066458747 /nfs/dbraw/zinc/45/87/47/1066458747.db2.gz UDTKJXXRLXFOSQ-HSZRJFAPSA-N 1 0 469.674 4.744 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)Cc2cccs2)c1 ZINC001361159971 1066465733 /nfs/dbraw/zinc/46/57/33/1066465733.db2.gz PZFQYUSNKHVWHN-NRFANRHFSA-N 1 0 467.683 4.945 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)c1 ZINC001361159927 1066465800 /nfs/dbraw/zinc/46/58/00/1066465800.db2.gz OMVFVBMOFLRIOU-LADGPHEKSA-N 1 0 469.674 4.600 20 0 JJADRO CN(C)C(=O)Nc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(Cl)c1 ZINC001361160029 1066466515 /nfs/dbraw/zinc/46/65/15/1066466515.db2.gz ACWQSSNGUTXDHY-RUZDIDTESA-N 1 0 455.002 4.562 20 0 JJADRO O=C(CCC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)Nc1c(F)cccc1F ZINC001444502359 1066468777 /nfs/dbraw/zinc/46/87/77/1066468777.db2.gz LVIOWPVFEXCYFE-UHFFFAOYSA-N 1 0 455.549 4.731 20 0 JJADRO CC(C)(C)C(=O)NC1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001444500262 1066468892 /nfs/dbraw/zinc/46/88/92/1066468892.db2.gz FVBXHKLKLGJENT-UHFFFAOYSA-N 1 0 453.671 4.755 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361162086 1066469066 /nfs/dbraw/zinc/46/90/66/1066469066.db2.gz HKRZKIVNVYJBFR-VWNXMTODSA-N 1 0 483.701 4.988 20 0 JJADRO C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001444506220 1066469550 /nfs/dbraw/zinc/46/95/50/1066469550.db2.gz UFWIOVQJGBIKHW-OAQYLSRUSA-N 1 0 455.643 4.822 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC001456006165 1066471157 /nfs/dbraw/zinc/47/11/57/1066471157.db2.gz GNUVZBFLPVZRDL-IBGZPJMESA-N 1 0 457.405 4.858 20 0 JJADRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC001456008079 1066471174 /nfs/dbraw/zinc/47/11/74/1066471174.db2.gz JHKITWOLIOFZDC-PZJWPPBQSA-N 1 0 457.043 4.819 20 0 JJADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001444541343 1066473422 /nfs/dbraw/zinc/47/34/22/1066473422.db2.gz MJDOJSUBVLWWJG-OAHLLOKOSA-N 1 0 455.357 4.559 20 0 JJADRO CC(C)OCc1c2ccccc2oc1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001444541404 1066473496 /nfs/dbraw/zinc/47/34/96/1066473496.db2.gz ORJCJZAQPRUIEE-UHFFFAOYSA-N 1 0 454.542 4.770 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361164228 1066475708 /nfs/dbraw/zinc/47/57/08/1066475708.db2.gz ZANUOWOVTLNIAU-RBBKRZOGSA-N 1 0 471.715 4.926 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001361166798 1066478351 /nfs/dbraw/zinc/47/83/51/1066478351.db2.gz ZXWCKYQQKOQCPR-IGKIAQTJSA-N 1 0 455.602 4.528 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001361166799 1066478377 /nfs/dbraw/zinc/47/83/77/1066478377.db2.gz ZXWCKYQQKOQCPR-RPLLCQBOSA-N 1 0 455.602 4.528 20 0 JJADRO Cc1ccc([C@]2(O)CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C2)cc1 ZINC001361167777 1066481557 /nfs/dbraw/zinc/48/15/57/1066481557.db2.gz WIBBJWHBVYPVDD-RTAAPDIRSA-N 1 0 497.728 4.579 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC001361169714 1066484118 /nfs/dbraw/zinc/48/41/18/1066484118.db2.gz JIZAVPSEYRUFOX-FCHUYYIVSA-N 1 0 451.615 4.853 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)o1 ZINC001361171175 1066486425 /nfs/dbraw/zinc/48/64/25/1066486425.db2.gz SDENLEKKYXZYSK-UYAOXDASSA-N 1 0 473.568 4.559 20 0 JJADRO O=C(C/C=C\Cc1ccccc1)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC001444645094 1066487345 /nfs/dbraw/zinc/48/73/45/1066487345.db2.gz CFJXWEGJTRATRA-PLNGDYQASA-N 1 0 457.412 4.598 20 0 JJADRO O=C(C/C=C/Cc1ccccc1)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC001444645100 1066487916 /nfs/dbraw/zinc/48/79/16/1066487916.db2.gz CFJXWEGJTRATRA-SNAWJCMRSA-N 1 0 457.412 4.598 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2CC[N@H+](C)C2CCCCC2)o1 ZINC001361174110 1066491167 /nfs/dbraw/zinc/49/11/67/1066491167.db2.gz MXGPCWFPJWTRHN-JOCHJYFZSA-N 1 0 492.668 4.767 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[NH+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001545968492 1066492858 /nfs/dbraw/zinc/49/28/58/1066492858.db2.gz GPZPWQFBNJUFJS-NRFANRHFSA-N 1 0 482.673 4.621 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC001361175576 1066493440 /nfs/dbraw/zinc/49/34/40/1066493440.db2.gz RNTANRHFTIBPCZ-YJBOKZPZSA-N 1 0 453.534 4.990 20 0 JJADRO CC(C)COc1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cc1Cl ZINC001456051321 1066493738 /nfs/dbraw/zinc/49/37/38/1066493738.db2.gz BALFUBMFPIPPGF-UHFFFAOYSA-N 1 0 457.924 4.993 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001456052302 1066493827 /nfs/dbraw/zinc/49/38/27/1066493827.db2.gz DABSINOZRGUZDZ-UHFFFAOYSA-N 1 0 458.002 4.795 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001361176051 1066494587 /nfs/dbraw/zinc/49/45/87/1066494587.db2.gz IAGUNCHUVLRZBF-FCHUYYIVSA-N 1 0 472.630 4.523 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001456054378 1066495009 /nfs/dbraw/zinc/49/50/09/1066495009.db2.gz HXTACYCXOKIRBN-IBGZPJMESA-N 1 0 457.043 4.757 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)cc3)n2CC[NH+]2CCCCC2)o1 ZINC001361177466 1066495782 /nfs/dbraw/zinc/49/57/82/1066495782.db2.gz FJWJMNUYFAMPKJ-UHFFFAOYSA-N 1 0 458.404 4.731 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[N@@H+](C2CCCC2)CC1)OC ZINC001545968735 1066495805 /nfs/dbraw/zinc/49/58/05/1066495805.db2.gz KQTGUDOYUSYSIL-LJQANCHMSA-N 1 0 476.463 4.587 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)CCC(F)(F)F)[NH+]1CCCC1 ZINC001545968702 1066495887 /nfs/dbraw/zinc/49/58/87/1066495887.db2.gz JTTNBYOBRYLJRA-HNNXBMFYSA-N 1 0 474.369 4.971 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@H](C)[N@H+](C)C2CC2)o1 ZINC001361177767 1066496992 /nfs/dbraw/zinc/49/69/92/1066496992.db2.gz QAJFZHNMYJJNMI-HNNXBMFYSA-N 1 0 458.404 4.728 20 0 JJADRO Cc1ccc2c(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)cc(-c3cnn(C)c3)nc2c1C ZINC001456058028 1066497290 /nfs/dbraw/zinc/49/72/90/1066497290.db2.gz OXNPRRFEYIPNAF-UHFFFAOYSA-N 1 0 459.569 4.595 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC001361178433 1066498900 /nfs/dbraw/zinc/49/89/00/1066498900.db2.gz MIUGEZIECSDXOA-LJQANCHMSA-N 1 0 475.996 4.632 20 0 JJADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(Cl)c(Br)cc1OC ZINC001361179444 1066500787 /nfs/dbraw/zinc/50/07/87/1066500787.db2.gz WDBGKHNZZXJMRS-UHFFFAOYSA-N 1 0 459.734 4.848 20 0 JJADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001361179345 1066500799 /nfs/dbraw/zinc/50/07/99/1066500799.db2.gz SUQOGBXDJPBYPH-UHFFFAOYSA-N 1 0 458.956 4.938 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3Br)n2CC[NH+]2CCCCC2)o1 ZINC001361180696 1066501538 /nfs/dbraw/zinc/50/15/38/1066501538.db2.gz FZWSBYAPFPILBY-UHFFFAOYSA-N 1 0 458.404 4.731 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC001361181456 1066503320 /nfs/dbraw/zinc/50/33/20/1066503320.db2.gz XDUYUGLNJRBERO-FQEVSTJZSA-N 1 0 465.627 4.761 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1Br ZINC001361181819 1066504164 /nfs/dbraw/zinc/50/41/64/1066504164.db2.gz XLSGERNKGCVQGB-UHFFFAOYSA-N 1 0 498.473 4.564 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC001361183145 1066505149 /nfs/dbraw/zinc/50/51/49/1066505149.db2.gz GQKYIXRCXSFIGP-GHTZIAJQSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC(C)(C)C[NH+](C)C)cc1Br ZINC001361183249 1066505531 /nfs/dbraw/zinc/50/55/31/1066505531.db2.gz HZMJDYRJWLFAGU-IBGZPJMESA-N 1 0 478.479 4.609 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1Br ZINC001361184283 1066507092 /nfs/dbraw/zinc/50/70/92/1066507092.db2.gz FAGVDRDLOOXYBP-ICSRJNTNSA-N 1 0 490.490 4.611 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001361184530 1066507540 /nfs/dbraw/zinc/50/75/40/1066507540.db2.gz MFRUCJMCLYQBQK-QUCCMNQESA-N 1 0 476.463 4.506 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1Br ZINC001361184579 1066508188 /nfs/dbraw/zinc/50/81/88/1066508188.db2.gz NQKVQENLEGWSNM-WOJBJXKFSA-N 1 0 490.490 4.753 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079356 1066508217 /nfs/dbraw/zinc/50/82/17/1066508217.db2.gz KMQKHMZDGMUPBD-UZINWLIJSA-N 1 0 487.714 4.705 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC[NH+](C(C)C)C(C)C)cc1Br ZINC001361184830 1066508651 /nfs/dbraw/zinc/50/86/51/1066508651.db2.gz VRJVPQXOTGVHBE-FQEVSTJZSA-N 1 0 492.506 4.998 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546079623 1066512981 /nfs/dbraw/zinc/51/29/81/1066512981.db2.gz QJHUBHJSGHSXPQ-CUVVAGTFSA-N 1 0 473.637 4.510 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361188778 1066514172 /nfs/dbraw/zinc/51/41/72/1066514172.db2.gz YJDPJWTUDNVLTH-LEWJYISDSA-N 1 0 450.631 4.540 20 0 JJADRO O=C(c1ccc(-c2ccco2)[nH]c1=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868677 1066514941 /nfs/dbraw/zinc/51/49/41/1066514941.db2.gz SRIAVDKIHJGLJB-SFHVURJKSA-N 1 0 459.468 4.574 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)o1 ZINC001361190768 1066516227 /nfs/dbraw/zinc/51/62/27/1066516227.db2.gz RULYCNLMPDJIQM-JOCHJYFZSA-N 1 0 451.615 4.762 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3C)n2CCC[N@H+]2CCCC[C@H]2C)o1 ZINC001361190837 1066516691 /nfs/dbraw/zinc/51/66/91/1066516691.db2.gz VAEOSSQDHKVSTG-OAQYLSRUSA-N 1 0 451.615 4.935 20 0 JJADRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001444894879 1066516973 /nfs/dbraw/zinc/51/69/73/1066516973.db2.gz TZCPZOJBVYQHEV-GBXCKJPGSA-N 1 0 456.030 4.608 20 0 JJADRO Cc1csc(SCc2ccccc2C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)n1 ZINC001444921545 1066518056 /nfs/dbraw/zinc/51/80/56/1066518056.db2.gz KWAXYBPNFBJTTH-UHFFFAOYSA-N 1 0 453.633 4.953 20 0 JJADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc2sc(Br)cc2s1 ZINC001444935497 1066519361 /nfs/dbraw/zinc/51/93/61/1066519361.db2.gz XRVQRKOLTIBDLZ-UHFFFAOYSA-N 1 0 451.411 4.934 20 0 JJADRO Cc1cc(F)cc2c(O)c(C(=O)N(CC[N@@H+](C)Cc3ccccc3)Cc3ccccc3)cnc12 ZINC001444944720 1066520972 /nfs/dbraw/zinc/52/09/72/1066520972.db2.gz AMVVVLDHYVIOHX-UHFFFAOYSA-N 1 0 457.549 4.750 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCCCC[NH+]2CCCCC2)o1 ZINC001361195709 1066522480 /nfs/dbraw/zinc/52/24/80/1066522480.db2.gz FBGUGFLPTYUQRS-ICSRJNTNSA-N 1 0 469.552 4.659 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCCCC[NH+]2CCCCC2)o1 ZINC001361195711 1066522579 /nfs/dbraw/zinc/52/25/79/1066522579.db2.gz FBGUGFLPTYUQRS-UYAOXDASSA-N 1 0 469.552 4.659 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](c4ccccc4)C3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001361196038 1066523054 /nfs/dbraw/zinc/52/30/54/1066523054.db2.gz JIPHAPRYWMVOQI-QPPBQGQZSA-N 1 0 451.615 4.932 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@H+](C)C2CCCCC2)cc1Br ZINC001361196056 1066523555 /nfs/dbraw/zinc/52/35/55/1066523555.db2.gz JMQMDBXIWFDFDJ-OALUTQOASA-N 1 0 490.490 4.894 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N[C@H]3C[N@@H+](C)CC3(C)C)cc12 ZINC001456156889 1066525151 /nfs/dbraw/zinc/52/51/51/1066525151.db2.gz GGRJMFWGLHMVMH-SFHVURJKSA-N 1 0 451.423 4.831 20 0 JJADRO C[C@H](c1ccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)cc1)N1CCOCC1 ZINC001456158957 1066525698 /nfs/dbraw/zinc/52/56/98/1066525698.db2.gz XOOMEDKHPKDMPT-FGZHOGPDSA-N 1 0 451.611 4.585 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(Br)o1)[NH+]1CCCC1 ZINC001545971435 1066530127 /nfs/dbraw/zinc/53/01/27/1066530127.db2.gz XTDXYLJTZOYIHA-QGZVFWFLSA-N 1 0 488.430 4.820 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CCc2ccc(OCC[NH+](C)C)cc2)o1 ZINC001361201599 1066531342 /nfs/dbraw/zinc/53/13/42/1066531342.db2.gz FLYSHIZSMXAQIO-UHFFFAOYSA-N 1 0 451.615 4.656 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(c4ccc(O)cc4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361201624 1066531382 /nfs/dbraw/zinc/53/13/82/1066531382.db2.gz GCIKEKCRNOBHFR-QFIPXVFZSA-N 1 0 451.615 4.912 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)n2CCCOC(F)(F)F)o1 ZINC001361203248 1066533357 /nfs/dbraw/zinc/53/33/57/1066533357.db2.gz YUKPCUFICQHPKI-GOSISDBHSA-N 1 0 477.531 4.874 20 0 JJADRO Cc1sc2ncnc(SCC(=O)Nc3ccc(OCC[N@H+]4CC[C@H](C)C4)cc3)c2c1C ZINC001445049504 1066533563 /nfs/dbraw/zinc/53/35/63/1066533563.db2.gz OZUFEPJYOXEWID-HNNXBMFYSA-N 1 0 456.637 4.760 20 0 JJADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)C1 ZINC001445051195 1066533622 /nfs/dbraw/zinc/53/36/22/1066533622.db2.gz SMMSSBZKTNTYPI-QGZVFWFLSA-N 1 0 458.484 4.864 20 0 JJADRO Cc1cc(CCC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)ccc1Br ZINC001456193119 1066533933 /nfs/dbraw/zinc/53/39/33/1066533933.db2.gz HKVGFGTZAKEVTQ-UHFFFAOYSA-N 1 0 451.449 4.620 20 0 JJADRO CC(C)c1c(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cnn1-c1ccc(F)cc1 ZINC001456199202 1066535840 /nfs/dbraw/zinc/53/58/40/1066535840.db2.gz SOVVDGWYGFGIPR-UHFFFAOYSA-N 1 0 456.606 4.678 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCCCC2)o1 ZINC001361207565 1066540511 /nfs/dbraw/zinc/54/05/11/1066540511.db2.gz VNPSAEJHXGNZSI-HXUWFJFHSA-N 1 0 486.661 4.557 20 0 JJADRO Nc1ccc(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)cc1OC(F)(F)F ZINC001445163926 1066541790 /nfs/dbraw/zinc/54/17/90/1066541790.db2.gz SYUJIUYHTJOYSK-UHFFFAOYSA-N 1 0 457.496 4.990 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001361209508 1066542636 /nfs/dbraw/zinc/54/26/36/1066542636.db2.gz ZKRYPFNHWPRAFQ-SFHVURJKSA-N 1 0 497.949 4.696 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361210324 1066543641 /nfs/dbraw/zinc/54/36/41/1066543641.db2.gz HKXGNKFEXCMCAT-HXUWFJFHSA-N 1 0 467.589 4.673 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001361211842 1066545961 /nfs/dbraw/zinc/54/59/61/1066545961.db2.gz BIVRRNMLKQTXGJ-OAQYLSRUSA-N 1 0 488.677 4.660 20 0 JJADRO C[C@H]1C[C@H](NC(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001445229550 1066547587 /nfs/dbraw/zinc/54/75/87/1066547587.db2.gz ZZJMMEPVZUBMNQ-GBXCKJPGSA-N 1 0 451.611 4.537 20 0 JJADRO CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)CC1=O ZINC001445270211 1066550698 /nfs/dbraw/zinc/55/06/98/1066550698.db2.gz JUAFYIVTDRENQW-NQVNOIMPSA-N 1 0 453.671 4.912 20 0 JJADRO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)CC1=O ZINC001445270212 1066550773 /nfs/dbraw/zinc/55/07/73/1066550773.db2.gz JUAFYIVTDRENQW-RFQWIFLJSA-N 1 0 453.671 4.912 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)C/C=C\c2ccc(Br)cc2)cc1 ZINC001456275144 1066552954 /nfs/dbraw/zinc/55/29/54/1066552954.db2.gz MQBWMDJRFKAVPZ-WAYWQWQTSA-N 1 0 459.384 4.530 20 0 JJADRO CC(C)(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001445283551 1066552959 /nfs/dbraw/zinc/55/29/59/1066552959.db2.gz AUWUSHAJERFTEJ-SANMLTNESA-N 1 0 450.623 4.848 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361218250 1066554301 /nfs/dbraw/zinc/55/43/01/1066554301.db2.gz QWESARCPPYVDOT-UGKGYDQZSA-N 1 0 490.490 4.752 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361218249 1066554636 /nfs/dbraw/zinc/55/46/36/1066554636.db2.gz QWESARCPPYVDOT-SIKLNZKXSA-N 1 0 490.490 4.752 20 0 JJADRO CC(C)c1nc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)nn1-c1c(Cl)cccc1Cl ZINC001445315951 1066556171 /nfs/dbraw/zinc/55/61/71/1066556171.db2.gz YNMDFZYMUMXTSZ-INIZCTEOSA-N 1 0 450.414 4.501 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)C1 ZINC001361220072 1066556881 /nfs/dbraw/zinc/55/68/81/1066556881.db2.gz DGGNNMHXKULYDA-QHAWAJNXSA-N 1 0 468.560 4.657 20 0 JJADRO CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)c1 ZINC001456296042 1066557246 /nfs/dbraw/zinc/55/72/46/1066557246.db2.gz WZIPGOUBVGODRV-UHFFFAOYSA-N 1 0 450.604 4.894 20 0 JJADRO COc1cccc2[nH]cc(CC(=O)N(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC(F)(F)F)c21 ZINC001361220463 1066557361 /nfs/dbraw/zinc/55/73/61/1066557361.db2.gz QVSQSYMKCPSKNZ-IBGZPJMESA-N 1 0 459.512 4.632 20 0 JJADRO CCC(=O)c1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1F ZINC001361220515 1066557423 /nfs/dbraw/zinc/55/74/23/1066557423.db2.gz TYRRBLNJRAWNRC-GOSISDBHSA-N 1 0 450.476 4.945 20 0 JJADRO O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220646 1066558011 /nfs/dbraw/zinc/55/80/11/1066558011.db2.gz XZLZBFAKUHIPMP-SLYNCCJLSA-N 1 0 452.467 4.981 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C)C1 ZINC001456302700 1066559105 /nfs/dbraw/zinc/55/91/05/1066559105.db2.gz NGAZPYHHXOVBSH-KBXCAEBGSA-N 1 0 456.439 4.984 20 0 JJADRO O=C(CCc1cc(Cl)ccc1Br)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001456304793 1066559469 /nfs/dbraw/zinc/55/94/69/1066559469.db2.gz OLDBEJXUNVQZLK-UHFFFAOYSA-N 1 0 459.881 4.903 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001361221354 1066559955 /nfs/dbraw/zinc/55/99/55/1066559955.db2.gz WORACSWVFFXTKW-ACDBMABISA-N 1 0 490.490 4.750 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCc2ccc(Br)s2)o1 ZINC001361224079 1066561989 /nfs/dbraw/zinc/56/19/89/1066561989.db2.gz IUGDUASVCDALLI-UHFFFAOYSA-N 1 0 478.460 4.691 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361225713 1066563848 /nfs/dbraw/zinc/56/38/48/1066563848.db2.gz KDBQUMLSWGPONT-UHFFFAOYSA-N 1 0 488.677 4.662 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCc4ccccc4)CC3)n2CCSCC(C)C)o1 ZINC001361226004 1066564437 /nfs/dbraw/zinc/56/44/37/1066564437.db2.gz SZQZTNJZTIJEIK-UHFFFAOYSA-N 1 0 453.656 4.600 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)o1 ZINC001361227006 1066565413 /nfs/dbraw/zinc/56/54/13/1066565413.db2.gz DTFCYEXYMRWRQA-RLWLMLJZSA-N 1 0 469.605 4.930 20 0 JJADRO CC[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCC1 ZINC001545974632 1066565435 /nfs/dbraw/zinc/56/54/35/1066565435.db2.gz CCEJINQDBVDQKF-FQEVSTJZSA-N 1 0 452.647 4.563 20 0 JJADRO Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1Br ZINC001361226971 1066565536 /nfs/dbraw/zinc/56/55/36/1066565536.db2.gz DEWIVBJEVIACGD-LJQANCHMSA-N 1 0 490.490 4.896 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546081607 1066565906 /nfs/dbraw/zinc/56/59/06/1066565906.db2.gz SODLGIORDNGUSA-LVXARBLLSA-N 1 0 496.681 4.517 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1Br ZINC001361227635 1066566037 /nfs/dbraw/zinc/56/60/37/1066566037.db2.gz RVOWEVTXCRNUDX-MOPGFXCFSA-N 1 0 476.463 4.506 20 0 JJADRO CSc1cccc(N(C(=O)c2cc(Br)c3nccn3c2)C2CC[NH+](C)CC2)c1 ZINC001456345891 1066566327 /nfs/dbraw/zinc/56/63/27/1066566327.db2.gz YGGORVOKPGVDLW-UHFFFAOYSA-N 1 0 459.413 4.560 20 0 JJADRO Cc1ccc(Oc2ccc(C(=O)Nc3ccc(NC(=O)NC4CC[NH+](C)CC4)cc3)cc2)nc1 ZINC001456348796 1066566787 /nfs/dbraw/zinc/56/67/87/1066566787.db2.gz DOZCUNDHWDZCCF-UHFFFAOYSA-N 1 0 459.550 4.650 20 0 JJADRO Cc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CC[NH+]2CCCCCC2)cc1Br ZINC001361230838 1066570071 /nfs/dbraw/zinc/57/00/71/1066570071.db2.gz DHMFISQOGWQPGY-GOSISDBHSA-N 1 0 478.504 4.834 20 0 JJADRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)CC1 ZINC001445466478 1066574610 /nfs/dbraw/zinc/57/46/10/1066574610.db2.gz VUUGXBBILXYJGD-UHFFFAOYSA-N 1 0 455.599 4.806 20 0 JJADRO C[C@H](CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[N@H+](C)Cc1ccccc1 ZINC001456400597 1066578766 /nfs/dbraw/zinc/57/87/66/1066578766.db2.gz KPPITAKPNHWHBQ-GOSISDBHSA-N 1 0 453.633 4.729 20 0 JJADRO C[C@@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)[N@H+](C)Cc1ccccc1 ZINC001456402126 1066579312 /nfs/dbraw/zinc/57/93/12/1066579312.db2.gz QHOIROYVSLNBJP-KRWDZBQOSA-N 1 0 454.368 4.887 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001445516166 1066579739 /nfs/dbraw/zinc/57/97/39/1066579739.db2.gz NDBVQUPIUQNZMO-KCZVDYSFSA-N 1 0 459.675 4.931 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001361238898 1066580406 /nfs/dbraw/zinc/58/04/06/1066580406.db2.gz YUYCRVNPRXRICT-LGKPFJOYSA-N 1 0 482.673 4.649 20 0 JJADRO O=C(CCOc1cccc(Br)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001445528620 1066583166 /nfs/dbraw/zinc/58/31/66/1066583166.db2.gz WMHQNSIBHOIEDQ-NFBKMPQASA-N 1 0 457.412 4.731 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1 ZINC001456430566 1066583513 /nfs/dbraw/zinc/58/35/13/1066583513.db2.gz HBVHPIZVCNZFFZ-QXSBJYOWSA-N 1 0 454.636 4.860 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1 ZINC001456430572 1066583519 /nfs/dbraw/zinc/58/35/19/1066583519.db2.gz HBVHPIZVCNZFFZ-SYHMHQOJSA-N 1 0 454.636 4.860 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC001445531747 1066583717 /nfs/dbraw/zinc/58/37/17/1066583717.db2.gz ZJZLZSMMRSDEIW-REWPJTCUSA-N 1 0 450.583 4.555 20 0 JJADRO Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC001361247108 1066589447 /nfs/dbraw/zinc/58/94/47/1066589447.db2.gz PLTKMXJDKZZFNO-JOCHJYFZSA-N 1 0 467.683 4.873 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001456448492 1066589463 /nfs/dbraw/zinc/58/94/63/1066589463.db2.gz WSARXVGKOHWLBF-YKSBVNFPSA-N 1 0 451.611 4.637 20 0 JJADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3SCC(=O)NC3CCCCCCC3)CC[C@H]21 ZINC001445576714 1066589646 /nfs/dbraw/zinc/58/96/46/1066589646.db2.gz WEQZSKDGOQNOGF-NFBKMPQASA-N 1 0 457.684 4.564 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC001456448507 1066589581 /nfs/dbraw/zinc/58/95/81/1066589581.db2.gz XCLJPMUPTZIUGK-MRXNPFEDSA-N 1 0 458.400 4.588 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC001445582822 1066590619 /nfs/dbraw/zinc/59/06/19/1066590619.db2.gz FIZYCRMWXRUHKP-AJTFRIOCSA-N 1 0 465.638 4.655 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCCC2)o1 ZINC001361248282 1066591738 /nfs/dbraw/zinc/59/17/38/1066591738.db2.gz JJPOBLLYUPYVCR-AZUAARDMSA-N 1 0 455.578 4.827 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC001361249789 1066594132 /nfs/dbraw/zinc/59/41/32/1066594132.db2.gz FWHGOUARHHVFEX-WOVHNISZSA-N 1 0 489.730 4.693 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361250029 1066595668 /nfs/dbraw/zinc/59/56/68/1066595668.db2.gz OGURQSOENMWFBO-CVEARBPZSA-N 1 0 475.435 4.694 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)o1 ZINC001361250480 1066596909 /nfs/dbraw/zinc/59/69/09/1066596909.db2.gz XQHIZXOQLPWIAC-UHFFFAOYSA-N 1 0 475.435 4.696 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 ZINC001361250948 1066597963 /nfs/dbraw/zinc/59/79/63/1066597963.db2.gz UIWASKNSINQINS-UHFFFAOYSA-N 1 0 453.627 4.788 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001361251882 1066599969 /nfs/dbraw/zinc/59/99/69/1066599969.db2.gz BFFNMKVPMZNSDE-UHFFFAOYSA-N 1 0 461.614 4.787 20 0 JJADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)c2C1 ZINC001361253674 1066601712 /nfs/dbraw/zinc/60/17/12/1066601712.db2.gz CEIQUAJMZDKMTF-OAQYLSRUSA-N 1 0 457.368 4.531 20 0 JJADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)c2C1 ZINC001361253673 1066601835 /nfs/dbraw/zinc/60/18/35/1066601835.db2.gz CEIQUAJMZDKMTF-NRFANRHFSA-N 1 0 457.368 4.531 20 0 JJADRO CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@H+](C)C4)cc3)o2)cc1 ZINC001456501091 1066602450 /nfs/dbraw/zinc/60/24/50/1066602450.db2.gz RLYPAGXLIIWFQX-QHCPKHFHSA-N 1 0 459.546 4.568 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCC[NH+](C)C)c2)s1 ZINC001361254295 1066602515 /nfs/dbraw/zinc/60/25/15/1066602515.db2.gz IOVPQZPFXJMGKN-HSZRJFAPSA-N 1 0 469.655 4.515 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001361257778 1066606314 /nfs/dbraw/zinc/60/63/14/1066606314.db2.gz IEUHFXOQEGVOJX-HSZRJFAPSA-N 1 0 457.569 4.805 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001361257783 1066606325 /nfs/dbraw/zinc/60/63/25/1066606325.db2.gz IEUHFXOQEGVOJX-QHCPKHFHSA-N 1 0 457.569 4.805 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC001361258109 1066606901 /nfs/dbraw/zinc/60/69/01/1066606901.db2.gz ONOVXJYIZNMBRZ-FQEVSTJZSA-N 1 0 452.672 4.925 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546082976 1066609060 /nfs/dbraw/zinc/60/90/60/1066609060.db2.gz HBSZMHBSJYZBIB-VHFRWLAGSA-N 1 0 487.664 4.931 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC001361261282 1066612856 /nfs/dbraw/zinc/61/28/56/1066612856.db2.gz NTRZDCLWCPAMPY-NRFANRHFSA-N 1 0 469.586 4.898 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)o1 ZINC001361261575 1066613638 /nfs/dbraw/zinc/61/36/38/1066613638.db2.gz UCSKZYHTYYCWST-UHFFFAOYSA-N 1 0 464.397 4.798 20 0 JJADRO Cc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC[N@@H+](C(C)C)CC2)cn1 ZINC001361267610 1066619829 /nfs/dbraw/zinc/61/98/29/1066619829.db2.gz NVTNJGJOOICOEN-HSZRJFAPSA-N 1 0 462.642 4.707 20 0 JJADRO Cc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC001361268413 1066621276 /nfs/dbraw/zinc/62/12/76/1066621276.db2.gz KHIMEBGITIUMOH-UHFFFAOYSA-N 1 0 453.034 4.907 20 0 JJADRO Cc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001361268643 1066621885 /nfs/dbraw/zinc/62/18/85/1066621885.db2.gz VOVKOSRCUGPAHE-SFHVURJKSA-N 1 0 457.619 4.896 20 0 JJADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001445851988 1066626398 /nfs/dbraw/zinc/62/63/98/1066626398.db2.gz ODZGSWKZKRPTRI-NRFANRHFSA-N 1 0 454.571 4.903 20 0 JJADRO O=C(NCc1ccc(O)c(Br)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001445909127 1066633782 /nfs/dbraw/zinc/63/37/82/1066633782.db2.gz GFBKGJAISHNNFO-RTBURBONSA-N 1 0 471.420 4.748 20 0 JJADRO CC[C@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545980086 1066640446 /nfs/dbraw/zinc/64/04/46/1066640446.db2.gz NZTVYVCRRFJQSA-LJQANCHMSA-N 1 0 495.672 4.697 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)CCOc1ccccc1Cl)[NH+]1CCCC1 ZINC001545980374 1066644170 /nfs/dbraw/zinc/64/41/70/1066644170.db2.gz SVZRONCRZSVVDS-HXUWFJFHSA-N 1 0 469.033 4.692 20 0 JJADRO COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC001446031697 1066648783 /nfs/dbraw/zinc/64/87/83/1066648783.db2.gz HHQRDDUKYMZJNA-UHFFFAOYSA-N 1 0 458.558 4.597 20 0 JJADRO CC[N@H+](C)[C@@H](C(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624947 1066649015 /nfs/dbraw/zinc/64/90/15/1066649015.db2.gz WGVFSBDKORFUIF-XUZZJYLKSA-N 1 0 457.659 4.955 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc([C@H]2CCCCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001492598990 1066649723 /nfs/dbraw/zinc/64/97/23/1066649723.db2.gz SKSIGRHTHFHWRF-XMMPIXPASA-N 1 0 469.674 4.998 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001492598988 1066649829 /nfs/dbraw/zinc/64/98/29/1066649829.db2.gz SKSIGRHTHFHWRF-DEOSSOPVSA-N 1 0 469.674 4.998 20 0 JJADRO Cc1ccccc1OCCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492599909 1066651968 /nfs/dbraw/zinc/65/19/68/1066651968.db2.gz DNJLBMSYVQUFGV-UHFFFAOYSA-N 1 0 450.631 4.609 20 0 JJADRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001456647602 1066657431 /nfs/dbraw/zinc/65/74/31/1066657431.db2.gz GFOIOFGWPHSVOW-RBZQAINGSA-N 1 0 454.492 4.523 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)o1 ZINC001456648134 1066658072 /nfs/dbraw/zinc/65/80/72/1066658072.db2.gz IHPOOZIWIIIZSF-BJKOFHAPSA-N 1 0 475.589 4.702 20 0 JJADRO CC[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001456648150 1066658190 /nfs/dbraw/zinc/65/81/90/1066658190.db2.gz IMFKHLRZMWJMEH-FVVBACEJSA-N 1 0 477.649 4.808 20 0 JJADRO CC[C@@H](Cn1c(C2CC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545982192 1066669629 /nfs/dbraw/zinc/66/96/29/1066669629.db2.gz IMGZHDYZOQYLNL-QFIPXVFZSA-N 1 0 474.694 4.503 20 0 JJADRO CC1=CCCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001492609211 1066670302 /nfs/dbraw/zinc/67/03/02/1066670302.db2.gz OSVWBJOETKFAIH-OALUTQOASA-N 1 0 488.474 4.752 20 0 JJADRO CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001492609752 1066671782 /nfs/dbraw/zinc/67/17/82/1066671782.db2.gz VURINQGJPDSWRM-OALUTQOASA-N 1 0 489.506 4.959 20 0 JJADRO CC1=CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001492609929 1066671826 /nfs/dbraw/zinc/67/18/26/1066671826.db2.gz BGRGYFMFGGSLAX-LJQANCHMSA-N 1 0 474.378 4.899 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001456710834 1066672302 /nfs/dbraw/zinc/67/23/02/1066672302.db2.gz HSCLVAIOMVQOGM-CLCXKQKWSA-N 1 0 458.430 4.843 20 0 JJADRO C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193766 1066673210 /nfs/dbraw/zinc/67/32/10/1066673210.db2.gz NKGVDDDKHQJFOV-VQROGVPDSA-N 1 0 455.574 4.589 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC001456733421 1066676698 /nfs/dbraw/zinc/67/66/98/1066676698.db2.gz IAEXQMUWVWXHKD-HXUWFJFHSA-N 1 0 453.533 4.923 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001456734490 1066677556 /nfs/dbraw/zinc/67/75/56/1066677556.db2.gz IXRJVKSVVDMQSV-SFHVURJKSA-N 1 0 458.484 4.740 20 0 JJADRO CC1=CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001492614080 1066677688 /nfs/dbraw/zinc/67/76/88/1066677688.db2.gz SUFBVVPHNJMRPQ-OAQYLSRUSA-N 1 0 476.090 4.737 20 0 JJADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC001456735990 1066678399 /nfs/dbraw/zinc/67/83/99/1066678399.db2.gz XPJYYIARDZIGFH-RUZDIDTESA-N 1 0 455.646 4.805 20 0 JJADRO CC1=CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001492614206 1066678417 /nfs/dbraw/zinc/67/84/17/1066678417.db2.gz YDYZTQOWDKLTNS-DHIUTWEWSA-N 1 0 455.622 4.624 20 0 JJADRO O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001446243851 1066678788 /nfs/dbraw/zinc/67/87/88/1066678788.db2.gz CQWXKDUHJOPWIX-SANMLTNESA-N 1 0 457.574 4.530 20 0 JJADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001446246293 1066679633 /nfs/dbraw/zinc/67/96/33/1066679633.db2.gz QIDVQWZMFHVOLZ-KNQAVFIVSA-N 1 0 459.631 4.660 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC001446259321 1066680338 /nfs/dbraw/zinc/68/03/38/1066680338.db2.gz NQSIOBQCUVCEAC-ACEOEEQVSA-N 1 0 455.643 4.607 20 0 JJADRO CC1=CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001492615222 1066680321 /nfs/dbraw/zinc/68/03/21/1066680321.db2.gz DVIAVQPTNPMTFX-RTBURBONSA-N 1 0 458.448 4.984 20 0 JJADRO CC1=CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001492616156 1066683939 /nfs/dbraw/zinc/68/39/39/1066683939.db2.gz MYXYLYDYGCMTSN-UHFFFAOYSA-N 1 0 458.448 4.986 20 0 JJADRO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC001456769974 1066685478 /nfs/dbraw/zinc/68/54/78/1066685478.db2.gz IRYGEFCEVLTZJL-NBGIEHNGSA-N 1 0 453.608 4.674 20 0 JJADRO CC1=CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001492619630 1066687228 /nfs/dbraw/zinc/68/72/28/1066687228.db2.gz CZIZIJJUZXKGQD-QFIPXVFZSA-N 1 0 464.104 4.818 20 0 JJADRO CC1=CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001492619748 1066688147 /nfs/dbraw/zinc/68/81/47/1066688147.db2.gz IDNAFQDTMVAZMK-DNQXCXABSA-N 1 0 451.659 4.875 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001492620415 1066690006 /nfs/dbraw/zinc/69/00/06/1066690006.db2.gz FHRDEDHOMODLFV-QTJGBDASSA-N 1 0 497.663 4.880 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC001446321506 1066690328 /nfs/dbraw/zinc/69/03/28/1066690328.db2.gz GXVRKBJRVVFRSE-JOCHJYFZSA-N 1 0 452.595 4.849 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC001446321856 1066690523 /nfs/dbraw/zinc/69/05/23/1066690523.db2.gz IIRZRCRVNOZHOZ-JOCHJYFZSA-N 1 0 453.970 4.756 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC001446321852 1066690572 /nfs/dbraw/zinc/69/05/72/1066690572.db2.gz IEWZFUHSGHOSOI-OAQYLSRUSA-N 1 0 453.583 4.705 20 0 JJADRO CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NC[C@H]2CCCC[N@@H+]2C)c1=S ZINC001456799356 1066693408 /nfs/dbraw/zinc/69/34/08/1066693408.db2.gz QGVDXJCEPGLXRE-LJQANCHMSA-N 1 0 450.052 4.525 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C(F)(F)c2ccccc2Br)cc1 ZINC001446349645 1066694871 /nfs/dbraw/zinc/69/48/71/1066694871.db2.gz JPLUQKWIDZDXBF-LJQANCHMSA-N 1 0 453.327 4.503 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C(F)(F)c2ccccc2Br)cc1 ZINC001446349633 1066694946 /nfs/dbraw/zinc/69/49/46/1066694946.db2.gz JPLUQKWIDZDXBF-IBGZPJMESA-N 1 0 453.327 4.503 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@H](C)[NH+](C)C)C2)c1 ZINC001492623168 1066695468 /nfs/dbraw/zinc/69/54/68/1066695468.db2.gz YDVWMTQFRIBSNY-AZUAARDMSA-N 1 0 474.078 4.520 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@@H](C)[NH+](C)C)C2)c1 ZINC001492623171 1066695513 /nfs/dbraw/zinc/69/55/13/1066695513.db2.gz YDVWMTQFRIBSNY-UYAOXDASSA-N 1 0 474.078 4.520 20 0 JJADRO COc1ccccc1CN(CCO)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001446386028 1066699880 /nfs/dbraw/zinc/69/98/80/1066699880.db2.gz BZWLBZTVXZMXSG-IZZNHLLZSA-N 1 0 479.020 4.585 20 0 JJADRO O=C(NCc1cc2cccnc2cc1Br)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001446435554 1066705689 /nfs/dbraw/zinc/70/56/89/1066705689.db2.gz SDTUVXCUGNXGIG-QFIPXVFZSA-N 1 0 456.359 4.807 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(OC(C)C)c1)[NH+]1CCCC1 ZINC001545986198 1066706962 /nfs/dbraw/zinc/70/69/62/1066706962.db2.gz ASGRVMOUCNZVCO-UPVQGACJSA-N 1 0 455.647 4.818 20 0 JJADRO CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(CC)C1)[NH+]1CCCC1 ZINC001545986321 1066707486 /nfs/dbraw/zinc/70/74/86/1066707486.db2.gz CVJYISPATZAVDT-XXAUWVGASA-N 1 0 488.721 4.893 20 0 JJADRO CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1)[NH+]1CCCC1 ZINC001545986402 1066707900 /nfs/dbraw/zinc/70/79/00/1066707900.db2.gz FMERITCCUKLDIO-FCHUYYIVSA-N 1 0 488.721 4.893 20 0 JJADRO Cc1cnc([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492631733 1066708375 /nfs/dbraw/zinc/70/83/75/1066708375.db2.gz QKGWVQJHSHJEPD-INIZCTEOSA-N 1 0 474.625 4.636 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(COc4ccccc4F)n3CC(C)(C)C[NH+](C)C)CC2)s1 ZINC001492633305 1066713529 /nfs/dbraw/zinc/71/35/29/1066713529.db2.gz AGQIWMYWYVUIQY-UHFFFAOYSA-N 1 0 486.661 4.733 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(Cc4ccccn4)n3CC[NH+](C(C)C)C(C)C)CC2)s1 ZINC001492633989 1066715921 /nfs/dbraw/zinc/71/59/21/1066715921.db2.gz WNJUODWKFPTYIO-UHFFFAOYSA-N 1 0 467.687 4.532 20 0 JJADRO Cc1cnc(C2CCN(c3nnc([C@H]4CCCOC4)n3CCC[NH+](C(C)C)C(C)C)CC2)s1 ZINC001492634069 1066716134 /nfs/dbraw/zinc/71/61/34/1066716134.db2.gz ZWWGNXJDHYUCIZ-QFIPXVFZSA-N 1 0 474.719 4.830 20 0 JJADRO Cc1ccc([C@H](Cn2ccnc2)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585795 1066723982 /nfs/dbraw/zinc/72/39/82/1066723982.db2.gz RABJHFIPOAHHLX-RPWUZVMVSA-N 1 0 452.549 4.515 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001546085654 1066724525 /nfs/dbraw/zinc/72/45/25/1066724525.db2.gz PJJZIHKXBLEXRS-HXOBKFHXSA-N 1 0 494.453 4.584 20 0 JJADRO Cc1csc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC001492637828 1066724566 /nfs/dbraw/zinc/72/45/66/1066724566.db2.gz AFMFWRLMQLNYAX-LJQANCHMSA-N 1 0 470.662 4.897 20 0 JJADRO Cc1csc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC001492637827 1066724613 /nfs/dbraw/zinc/72/46/13/1066724613.db2.gz AFMFWRLMQLNYAX-IBGZPJMESA-N 1 0 470.662 4.897 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001456936519 1066726000 /nfs/dbraw/zinc/72/60/00/1066726000.db2.gz JGMXOWWLMUDZJF-RPWUZVMVSA-N 1 0 457.659 4.831 20 0 JJADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3nc(Br)ccc3Br)c2C1 ZINC001446632074 1066727178 /nfs/dbraw/zinc/72/71/78/1066727178.db2.gz DVBYGVIXVMZZIF-UHFFFAOYSA-N 1 0 453.178 4.831 20 0 JJADRO COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c1 ZINC001446635767 1066727216 /nfs/dbraw/zinc/72/72/16/1066727216.db2.gz KBWHXDPVDQRLDW-QHCPKHFHSA-N 1 0 453.583 4.871 20 0 JJADRO Cc1csc([C@H]2CN(c3nnc(-c4ccccc4Cl)n3CCC[N@@H+](C)C(C)C)CCO2)n1 ZINC001492641601 1066734919 /nfs/dbraw/zinc/73/49/19/1066734919.db2.gz MVCAJGLQQYHVHN-HXUWFJFHSA-N 1 0 475.062 4.672 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1)CC(C)C ZINC001446742957 1066735435 /nfs/dbraw/zinc/73/54/35/1066735435.db2.gz MOUNCZZBHSNZMK-FQEVSTJZSA-N 1 0 451.449 4.922 20 0 JJADRO O=C(COc1ccc(F)cc1Cl)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456989745 1066737674 /nfs/dbraw/zinc/73/76/74/1066737674.db2.gz ZXPYACZMYKGIPC-QGZVFWFLSA-N 1 0 458.883 4.771 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001492643088 1066738185 /nfs/dbraw/zinc/73/81/85/1066738185.db2.gz YSEYBLWFXMMXAS-LJQANCHMSA-N 1 0 474.078 4.873 20 0 JJADRO CCn1nc(C(F)(F)F)c(C(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)c1C(F)F ZINC001446782652 1066738491 /nfs/dbraw/zinc/73/84/91/1066738491.db2.gz SDHHJDVSVXRIIY-UHFFFAOYSA-N 1 0 450.496 4.834 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CC1)CC1CC1 ZINC001446781963 1066738562 /nfs/dbraw/zinc/73/85/62/1066738562.db2.gz NCJAGVCEQMSGPP-OAQYLSRUSA-N 1 0 454.080 4.517 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)CSc2nccn2-c2ccc(C)c(C)c2)CC1)CC1CC1 ZINC001446783469 1066738593 /nfs/dbraw/zinc/73/85/93/1066738593.db2.gz YOYFNRICCWXCCN-UHFFFAOYSA-N 1 0 454.684 4.942 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC001457014163 1066742762 /nfs/dbraw/zinc/74/27/62/1066742762.db2.gz ZMSYJSXXHZCMAS-HNNXBMFYSA-N 1 0 452.382 4.550 20 0 JJADRO C[C@H](CC(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)C(=O)c1ccccc1 ZINC001446824778 1066745179 /nfs/dbraw/zinc/74/51/79/1066745179.db2.gz QDPFEXRZFJSNPN-HSZRJFAPSA-N 1 0 455.602 4.899 20 0 JJADRO O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)c1cnccc1C(F)(F)F ZINC001446825120 1066745673 /nfs/dbraw/zinc/74/56/73/1066745673.db2.gz SXEGEHGLGRHNJA-UHFFFAOYSA-N 1 0 454.496 4.717 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCCCC2)c1 ZINC001492646001 1066748092 /nfs/dbraw/zinc/74/80/92/1066748092.db2.gz RBUVCYNGLFPFQF-UHFFFAOYSA-N 1 0 491.503 4.928 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001492647120 1066750985 /nfs/dbraw/zinc/75/09/85/1066750985.db2.gz XTADVQUHAMACLO-FGZHOGPDSA-N 1 0 457.619 4.968 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001492647575 1066751904 /nfs/dbraw/zinc/75/19/04/1066751904.db2.gz PRGABTQOPSVDSJ-SFHVURJKSA-N 1 0 458.701 4.905 20 0 JJADRO Cc1csc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001492649911 1066757553 /nfs/dbraw/zinc/75/75/53/1066757553.db2.gz TZEMFJXMKDECNS-UHFFFAOYSA-N 1 0 493.450 4.580 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001546086859 1066757715 /nfs/dbraw/zinc/75/77/15/1066757715.db2.gz AAFZIUZIIVACAT-VWLOTQADSA-N 1 0 476.065 4.734 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001546086913 1066758206 /nfs/dbraw/zinc/75/82/06/1066758206.db2.gz BDBNEWCUMQEJTM-DFBJGRDBSA-N 1 0 476.065 4.733 20 0 JJADRO COc1c(N)c(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc(Cl)c1Br ZINC001446975643 1066760322 /nfs/dbraw/zinc/76/03/22/1066760322.db2.gz UMTTZRKSLWQIDR-UHFFFAOYSA-N 1 0 452.780 4.582 20 0 JJADRO COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC001446982165 1066761313 /nfs/dbraw/zinc/76/13/13/1066761313.db2.gz PBTYPXXRGDNITK-UHFFFAOYSA-N 1 0 451.611 4.853 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3cc(Cl)cc(Cl)c3N)cc2)C[C@H]1C ZINC001446987570 1066762577 /nfs/dbraw/zinc/76/25/77/1066762577.db2.gz YGJSCONIAREVKD-IYBDPMFKSA-N 1 0 450.410 4.515 20 0 JJADRO Cc1nc(C)c(CCn2c(-c3ccccc3Cl)nnc2N2CCC([NH2+]C(C)C)CC2)s1 ZINC001492655401 1066766243 /nfs/dbraw/zinc/76/62/43/1066766243.db2.gz PUTFCZDGWWAPDJ-UHFFFAOYSA-N 1 0 459.063 4.881 20 0 JJADRO Cc1nc(C)c(CCn2c(N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)s1 ZINC001492656964 1066769875 /nfs/dbraw/zinc/76/98/75/1066769875.db2.gz KFRDTNZFPCFMIF-NRFANRHFSA-N 1 0 452.672 4.602 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546087075 1066770547 /nfs/dbraw/zinc/77/05/47/1066770547.db2.gz FOFQINUYRROHBX-MHZLTWQESA-N 1 0 453.675 4.980 20 0 JJADRO CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)c1 ZINC001457161912 1066776965 /nfs/dbraw/zinc/77/69/65/1066776965.db2.gz IYELLJNVSIYZFD-UHFFFAOYSA-N 1 0 458.002 4.872 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+](C)C2CCCCC2)CCO1 ZINC001546087991 1066778722 /nfs/dbraw/zinc/77/87/22/1066778722.db2.gz XWWWORONTOEXQD-XMMPIXPASA-N 1 0 461.054 4.653 20 0 JJADRO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC001457179482 1066781166 /nfs/dbraw/zinc/78/11/66/1066781166.db2.gz UOPKMFPLPGOIKO-QHCPKHFHSA-N 1 0 459.432 4.529 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H]3CCc4ccccc43)n2CC[NH+](C(C)C)C(C)C)cs1 ZINC001492663469 1066783355 /nfs/dbraw/zinc/78/33/55/1066783355.db2.gz ASGOAWJYBCCLIN-HSZRJFAPSA-N 1 0 452.672 4.876 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195880 1066784870 /nfs/dbraw/zinc/78/48/70/1066784870.db2.gz MIMMBYYJFJGHBJ-VWNXMTODSA-N 1 0 457.659 4.893 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2CC2([NH+](C)C)CCCCC2)cs1 ZINC001492665831 1066787790 /nfs/dbraw/zinc/78/77/90/1066787790.db2.gz AZMPTQATJUTCLB-UHFFFAOYSA-N 1 0 474.625 4.813 20 0 JJADRO Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1)C2 ZINC001457203360 1066788408 /nfs/dbraw/zinc/78/84/08/1066788408.db2.gz LXHDVMBICIEWEQ-LJAQVGFWSA-N 1 0 456.586 4.675 20 0 JJADRO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC001457205016 1066788808 /nfs/dbraw/zinc/78/88/08/1066788808.db2.gz RNJJHPLKTRUPRC-UHFFFAOYSA-N 1 0 459.981 4.743 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001492665991 1066788814 /nfs/dbraw/zinc/78/88/14/1066788814.db2.gz DJMZAQWNEXHOOT-IAGOWNOFSA-N 1 0 474.625 4.669 20 0 JJADRO CC(C)C[NH+]1CCC(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CC1 ZINC001447322803 1066792549 /nfs/dbraw/zinc/79/25/49/1066792549.db2.gz SADLFLWIDMETDX-XMMPIXPASA-N 1 0 453.627 4.890 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCO[C@H]3c3ccccc3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001492667890 1066794932 /nfs/dbraw/zinc/79/49/32/1066794932.db2.gz RWKNBRWZTRCYLX-DHLKQENFSA-N 1 0 482.698 4.578 20 0 JJADRO CS[C@H]1CN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC001447359361 1066798128 /nfs/dbraw/zinc/79/81/28/1066798128.db2.gz FGXSLKIHEGSCCJ-HKUYNNGSSA-N 1 0 452.407 4.833 20 0 JJADRO O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001457254893 1066798249 /nfs/dbraw/zinc/79/82/49/1066798249.db2.gz XJKHZCYAWGNTDE-ACIAVJDNSA-N 1 0 479.549 4.625 20 0 JJADRO Cc1nc(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2CC[NH+]2CCC(C)CC2)cs1 ZINC001492670027 1066799076 /nfs/dbraw/zinc/79/90/76/1066799076.db2.gz LWPFOBBHAABOQT-UHFFFAOYSA-N 1 0 470.609 4.535 20 0 JJADRO CS[C@@H]1CN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)C[C@@H]1[NH+]1CCCC1 ZINC001447366500 1066799559 /nfs/dbraw/zinc/79/95/59/1066799559.db2.gz XMKCKKYCWJHTPD-DLBZAZTESA-N 1 0 456.464 4.698 20 0 JJADRO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1)[NH+]1CCCC1 ZINC001545995095 1066800899 /nfs/dbraw/zinc/80/08/99/1066800899.db2.gz MDBCFWTZLQTDAP-NVQXNPDNSA-N 1 0 474.093 4.578 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC001492671560 1066802529 /nfs/dbraw/zinc/80/25/29/1066802529.db2.gz ZBECSSPIPGRXLW-HYFFOGBASA-N 1 0 456.635 4.701 20 0 JJADRO Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC[N@H+]2CCCC[C@H]2C)cs1 ZINC001492672006 1066803785 /nfs/dbraw/zinc/80/37/85/1066803785.db2.gz KYMCOQWYCSOXDI-MRXNPFEDSA-N 1 0 468.593 4.597 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CCC[N@@H+](C)C(C)C)cs1 ZINC001492673194 1066806147 /nfs/dbraw/zinc/80/61/47/1066806147.db2.gz NYBWAYYGRPFRJT-UHFFFAOYSA-N 1 0 498.541 4.685 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001492673615 1066806749 /nfs/dbraw/zinc/80/67/49/1066806749.db2.gz YFIVSTVVCVDEPW-AQNXPRMDSA-N 1 0 458.720 4.874 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)n2CCCC(C)C)cs1 ZINC001492674427 1066809166 /nfs/dbraw/zinc/80/91/66/1066809166.db2.gz ASOCHSLONJPJHU-QHCPKHFHSA-N 1 0 452.672 4.781 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H](c2ccco2)[NH+](C)C)cs1 ZINC001492674914 1066809196 /nfs/dbraw/zinc/80/91/96/1066809196.db2.gz YICDNGSHBHBSBN-GOSISDBHSA-N 1 0 482.576 4.699 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(F)(F)C3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cs1 ZINC001492674671 1066809845 /nfs/dbraw/zinc/80/98/45/1066809845.db2.gz FVPHHAAEKYAAAA-INIZCTEOSA-N 1 0 460.598 4.609 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CCSC(C)C)cs1 ZINC001492675107 1066810387 /nfs/dbraw/zinc/81/03/87/1066810387.db2.gz NGIKMISJDPFLES-UHFFFAOYSA-N 1 0 476.760 4.868 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCCC(F)(F)F)cs1 ZINC001492675277 1066810948 /nfs/dbraw/zinc/81/09/48/1066810948.db2.gz RXTFPRQLDMVDTA-UHFFFAOYSA-N 1 0 458.598 4.533 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccccc3OC)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001546089469 1066811391 /nfs/dbraw/zinc/81/13/91/1066811391.db2.gz PLZJASUPFZHDMK-AREMUKBSSA-N 1 0 455.647 4.615 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2cccc(OCC(C)C)c2)cs1 ZINC001492676118 1066811933 /nfs/dbraw/zinc/81/19/33/1066811933.db2.gz VCWXWRSXBSSMAM-UHFFFAOYSA-N 1 0 482.698 4.684 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CCCCC[NH+]2CCCCC2)cs1 ZINC001492676996 1066814692 /nfs/dbraw/zinc/81/46/92/1066814692.db2.gz SYUKGFGLUWAZSW-IBGZPJMESA-N 1 0 466.646 4.772 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001492676838 1066814784 /nfs/dbraw/zinc/81/47/84/1066814784.db2.gz POEIHCXBKZWERD-MSOLQXFVSA-N 1 0 470.609 4.533 20 0 JJADRO CC[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC001447514048 1066817352 /nfs/dbraw/zinc/81/73/52/1066817352.db2.gz VBCRSLFODYPUBB-GOSISDBHSA-N 1 0 451.792 4.604 20 0 JJADRO CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001545997065 1066819003 /nfs/dbraw/zinc/81/90/03/1066819003.db2.gz JEDJSVSIKGKMLM-UKILVPOCSA-N 1 0 453.675 4.551 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCC[N@@H+](C)Cc2ccccc2)cs1 ZINC001492678929 1066819993 /nfs/dbraw/zinc/81/99/93/1066819993.db2.gz QTPOUTLSBOCYHC-DEOSSOPVSA-N 1 0 496.725 4.940 20 0 JJADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2cccc3cccc(Br)c32)C1 ZINC001447566263 1066822611 /nfs/dbraw/zinc/82/26/11/1066822611.db2.gz BXCXCIDJCJNIPN-UHFFFAOYSA-N 1 0 453.380 4.984 20 0 JJADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC001447569846 1066823664 /nfs/dbraw/zinc/82/36/64/1066823664.db2.gz WBYDSSCGTSUMQH-UHFFFAOYSA-N 1 0 456.011 4.774 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cs1 ZINC001492681864 1066824194 /nfs/dbraw/zinc/82/41/94/1066824194.db2.gz JJPGDVRMHZJUFB-PBXQCXKZSA-N 1 0 488.746 4.786 20 0 JJADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001447580974 1066825475 /nfs/dbraw/zinc/82/54/75/1066825475.db2.gz FKFVPVNYLNRALW-QFIPXVFZSA-N 1 0 453.007 4.988 20 0 JJADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001447580860 1066825529 /nfs/dbraw/zinc/82/55/29/1066825529.db2.gz DSLFHYOOIQJWMD-QPHMKDBKSA-N 1 0 453.007 4.825 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492683718 1066826576 /nfs/dbraw/zinc/82/65/76/1066826576.db2.gz GUECGVLVQLVKHM-AXVVYFOYSA-N 1 0 484.636 4.636 20 0 JJADRO Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001492683605 1066826673 /nfs/dbraw/zinc/82/66/73/1066826673.db2.gz CTUAUWXMBSGPGY-RTBURBONSA-N 1 0 476.760 4.724 20 0 JJADRO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)cs1 ZINC001492684052 1066827333 /nfs/dbraw/zinc/82/73/33/1066827333.db2.gz PXUACFBVKGPTAE-QZTJIDSGSA-N 1 0 470.712 4.705 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H](c2ccccc2)[NH+](C)C)cs1 ZINC001492683937 1066827415 /nfs/dbraw/zinc/82/74/15/1066827415.db2.gz MHGFYOBGIGNGNQ-YADHBBJMSA-N 1 0 470.712 4.515 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)cs1 ZINC001492683936 1066827448 /nfs/dbraw/zinc/82/74/48/1066827448.db2.gz MHGFYOBGIGNGNQ-VXKWHMMOSA-N 1 0 470.712 4.515 20 0 JJADRO Cc1nc(C[C@@H]2CCCN(c3nnc(-c4ccccc4)n3CCC[NH+](C(C)C)C(C)C)C2)no1 ZINC001492685619 1066830228 /nfs/dbraw/zinc/83/02/28/1066830228.db2.gz IWXQKVKZQULNPM-QFIPXVFZSA-N 1 0 465.646 4.605 20 0 JJADRO Cc1nc2ccccc2n1CCn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001492694069 1066839310 /nfs/dbraw/zinc/83/93/10/1066839310.db2.gz CNJAOMMLEADLAM-UHFFFAOYSA-N 1 0 451.663 4.536 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H](C2CC2)[NH+](C)C)s1 ZINC001492695651 1066842887 /nfs/dbraw/zinc/84/28/87/1066842887.db2.gz KAGAEIDMXMIKOZ-HNNXBMFYSA-N 1 0 481.489 4.511 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC001457503332 1066844895 /nfs/dbraw/zinc/84/48/95/1066844895.db2.gz LQLOGHNUILDPPP-QDQFNNJSSA-N 1 0 450.623 4.786 20 0 JJADRO Cc1cc(C(F)(F)F)nc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC001457514963 1066848399 /nfs/dbraw/zinc/84/83/99/1066848399.db2.gz FFGHNBVEEKXTHC-UHFFFAOYSA-N 1 0 454.496 4.997 20 0 JJADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)C1 ZINC001457516684 1066849082 /nfs/dbraw/zinc/84/90/82/1066849082.db2.gz QJWYJRRXTGVIBE-QGZVFWFLSA-N 1 0 452.382 4.754 20 0 JJADRO CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(CC)Cc1ccc(Cl)s1)[NH+]1CCCC1 ZINC001545999946 1066849411 /nfs/dbraw/zinc/84/94/11/1066849411.db2.gz XDPSKRUGIXJQQI-IBGZPJMESA-N 1 0 459.063 4.880 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC001492697936 1066850432 /nfs/dbraw/zinc/85/04/32/1066850432.db2.gz INMGYTBHHYDYLN-QZTJIDSGSA-N 1 0 488.652 4.916 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC001492698408 1066850872 /nfs/dbraw/zinc/85/08/72/1066850872.db2.gz WOADXCFZBGCJBS-ROUUACIJSA-N 1 0 456.635 4.530 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC001492698407 1066851013 /nfs/dbraw/zinc/85/10/13/1066851013.db2.gz WOADXCFZBGCJBS-QZTJIDSGSA-N 1 0 456.635 4.530 20 0 JJADRO CN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457533861 1066853502 /nfs/dbraw/zinc/85/35/02/1066853502.db2.gz GQXYOCMWJSSCDX-KRWDZBQOSA-N 1 0 453.327 4.787 20 0 JJADRO CN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457533870 1066853719 /nfs/dbraw/zinc/85/37/19/1066853719.db2.gz GQXYOCMWJSSCDX-QGZVFWFLSA-N 1 0 453.327 4.787 20 0 JJADRO CCN(CCC[NH+](C)C)C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC001447789754 1066857759 /nfs/dbraw/zinc/85/77/59/1066857759.db2.gz FETPTIHFOHPLRF-UHFFFAOYSA-N 1 0 459.656 4.507 20 0 JJADRO Cc1ncc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3ccc(F)cc3)CC2)s1 ZINC001492701444 1066858571 /nfs/dbraw/zinc/85/85/71/1066858571.db2.gz UXYHHDWTAPESJC-UHFFFAOYSA-N 1 0 456.635 4.531 20 0 JJADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1 ZINC001457552934 1066859174 /nfs/dbraw/zinc/85/91/74/1066859174.db2.gz ACMILXKHRZRAGP-OAQYLSRUSA-N 1 0 452.517 4.951 20 0 JJADRO Cc1ccc(/C=C/c2cc(C(=O)NC[C@H]3CC[N@@H+](C)C3)c3cc(Br)ccc3n2)o1 ZINC001457559590 1066861393 /nfs/dbraw/zinc/86/13/93/1066861393.db2.gz RRLQCSGATUPPGB-BIENSFFJSA-N 1 0 454.368 4.751 20 0 JJADRO CCCOc1c(Cl)cc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1OCC ZINC001457562501 1066862200 /nfs/dbraw/zinc/86/22/00/1066862200.db2.gz KXWSKZGWIQRRNK-UHFFFAOYSA-N 1 0 453.023 4.540 20 0 JJADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 ZINC001447802215 1066862299 /nfs/dbraw/zinc/86/22/99/1066862299.db2.gz PUVLUGKTXNMEIL-UHFFFAOYSA-N 1 0 455.555 4.721 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)[NH+](C)C ZINC001447812306 1066865113 /nfs/dbraw/zinc/86/51/13/1066865113.db2.gz DGACETAHZYQCIE-KKSFZXQISA-N 1 0 457.500 4.969 20 0 JJADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC001457568964 1066865888 /nfs/dbraw/zinc/86/58/88/1066865888.db2.gz YNDJTZIGOYPROA-PMACEKPBSA-N 1 0 451.611 4.944 20 0 JJADRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001457569039 1066865948 /nfs/dbraw/zinc/86/59/48/1066865948.db2.gz YYRBOHXMQSXGSJ-OALUTQOASA-N 1 0 451.014 4.780 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001457609773 1066877286 /nfs/dbraw/zinc/87/72/86/1066877286.db2.gz IQYKUJZGGSHERR-SANMLTNESA-N 1 0 450.671 4.950 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCc2nn(C)cc21)[NH+](C)C ZINC001457610946 1066878015 /nfs/dbraw/zinc/87/80/15/1066878015.db2.gz IFXCBBOTOVFBDR-HTAPYJJXSA-N 1 0 451.442 4.762 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001492716687 1066882549 /nfs/dbraw/zinc/88/25/49/1066882549.db2.gz TYQWDFKTPIRBFB-YKSBVNFPSA-N 1 0 463.674 4.689 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001492716809 1066882709 /nfs/dbraw/zinc/88/27/09/1066882709.db2.gz YJZSMBVAQQGKMM-DEOSSOPVSA-N 1 0 477.701 4.865 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001492716880 1066882763 /nfs/dbraw/zinc/88/27/63/1066882763.db2.gz BIOKDRJDVRSCFL-KRWDZBQOSA-N 1 0 488.055 4.845 20 0 JJADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001457630597 1066886203 /nfs/dbraw/zinc/88/62/03/1066886203.db2.gz QNUCTQPGAQNHKD-NHCUHLMSSA-N 1 0 455.357 4.780 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001492718663 1066887154 /nfs/dbraw/zinc/88/71/54/1066887154.db2.gz NXRGDXMOERWNES-PPHZAIPVSA-N 1 0 481.664 4.505 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001492719661 1066888863 /nfs/dbraw/zinc/88/88/63/1066888863.db2.gz RNLYQYIWIWUSFI-LJQANCHMSA-N 1 0 465.690 4.983 20 0 JJADRO O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001448008955 1066889716 /nfs/dbraw/zinc/88/97/16/1066889716.db2.gz YFLKQXJUMZKKCS-XXBNENTESA-N 1 0 456.428 4.899 20 0 JJADRO Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492720890 1066891395 /nfs/dbraw/zinc/89/13/95/1066891395.db2.gz DYIWNOVXIRCURI-UHFFFAOYSA-N 1 0 488.055 4.694 20 0 JJADRO CO[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccccc1Br ZINC001448060054 1066895221 /nfs/dbraw/zinc/89/52/21/1066895221.db2.gz DKVASPFYKOVNEF-QZTJIDSGSA-N 1 0 459.306 4.575 20 0 JJADRO COc1ccc(Br)cc1-c1ncc(C(=O)NCCC[NH+](C(C)C)C(C)C)s1 ZINC001457679586 1066895964 /nfs/dbraw/zinc/89/59/64/1066895964.db2.gz GRMQSXVCWAAABX-UHFFFAOYSA-N 1 0 454.434 4.820 20 0 JJADRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001457688586 1066897889 /nfs/dbraw/zinc/89/78/89/1066897889.db2.gz DDDCSGXCDLQGEI-LVCYWYKZSA-N 1 0 454.442 4.612 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)n1 ZINC001492729053 1066898631 /nfs/dbraw/zinc/89/86/31/1066898631.db2.gz SPHSCXLXRYJVGA-ZFGGDYGUSA-N 1 0 469.722 4.989 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)[NH+]3CCC(C)CC3)C2)n1 ZINC001492730703 1066901128 /nfs/dbraw/zinc/90/11/28/1066901128.db2.gz BQTUUMUNADGTMB-DHIUTWEWSA-N 1 0 455.695 4.642 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccc(F)cc3)[NH+](C)C)C2)n1 ZINC001492731223 1066902014 /nfs/dbraw/zinc/90/20/14/1066902014.db2.gz ODYHXSANTYOWIE-RPWUZVMVSA-N 1 0 481.664 4.964 20 0 JJADRO COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC001448127266 1066903050 /nfs/dbraw/zinc/90/30/50/1066903050.db2.gz ULHYRBIXLXZBCK-AREMUKBSSA-N 1 0 457.574 4.588 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126882 1066903121 /nfs/dbraw/zinc/90/31/21/1066903121.db2.gz UOJZRFHVDWDOAD-PKTZIBPZSA-N 1 0 451.611 4.798 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)C2)n1 ZINC001492731789 1066903275 /nfs/dbraw/zinc/90/32/75/1066903275.db2.gz XDGMNIRGHRBCHZ-FGZHOGPDSA-N 1 0 469.703 4.886 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)C2)n1 ZINC001492731790 1066903296 /nfs/dbraw/zinc/90/32/96/1066903296.db2.gz XDGMNIRGHRBCHZ-VXKWHMMOSA-N 1 0 469.703 4.886 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3CCC[N@H+](C)Cc3ccccc3)C2)n1 ZINC001492731785 1066903431 /nfs/dbraw/zinc/90/34/31/1066903431.db2.gz XAXXZCJQDPCBHW-VWLOTQADSA-N 1 0 463.674 4.654 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001492732499 1066903857 /nfs/dbraw/zinc/90/38/57/1066903857.db2.gz QAKFZZUWYJRMAE-HCYUJWNOSA-N 1 0 469.703 4.909 20 0 JJADRO Cc1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001457716849 1066903822 /nfs/dbraw/zinc/90/38/22/1066903822.db2.gz LTMPKYLVELXOCY-YMPZKCBVSA-N 1 0 481.641 4.613 20 0 JJADRO Cc1ncc2n1CC[C@@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C)C2 ZINC001457717055 1066903880 /nfs/dbraw/zinc/90/38/80/1066903880.db2.gz VLYAVMZIGYBAEC-XMSQKQJNSA-N 1 0 451.442 4.676 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001492732163 1066904123 /nfs/dbraw/zinc/90/41/23/1066904123.db2.gz JZXGYDKVNQIGJB-RBUKOAKNSA-N 1 0 469.684 4.763 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001492732564 1066905543 /nfs/dbraw/zinc/90/55/43/1066905543.db2.gz RKLRSKOQNFUVDA-TZIWHRDSSA-N 1 0 455.676 4.663 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492732811 1066906061 /nfs/dbraw/zinc/90/60/61/1066906061.db2.gz WKMAUZSWJJMMRR-ZFGGDYGUSA-N 1 0 463.674 4.705 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492733889 1066907538 /nfs/dbraw/zinc/90/75/38/1066907538.db2.gz VTBPKPKUQCZYCH-HWVBPBKNSA-N 1 0 455.695 4.665 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(I)cc2Cl)cc1 ZINC001448186086 1066908082 /nfs/dbraw/zinc/90/80/82/1066908082.db2.gz LTNWEZHFKLTPMA-UHFFFAOYSA-N 1 0 456.755 4.716 20 0 JJADRO Cc1cc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)n2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001457742629 1066908485 /nfs/dbraw/zinc/90/84/85/1066908485.db2.gz GXDUVSIZRVJBHU-UHFFFAOYSA-N 1 0 453.587 4.520 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001492735381 1066909108 /nfs/dbraw/zinc/90/91/08/1066909108.db2.gz UFJBCRFCETVMGW-UHFFFAOYSA-N 1 0 488.055 4.833 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2CCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492735584 1066909376 /nfs/dbraw/zinc/90/93/76/1066909376.db2.gz BNHFKNGRHAZAPU-LJQANCHMSA-N 1 0 485.627 4.566 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492735921 1066909775 /nfs/dbraw/zinc/90/97/75/1066909775.db2.gz OKXGDAIWSCJWOH-OAQYLSRUSA-N 1 0 467.637 4.570 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492735674 1066910356 /nfs/dbraw/zinc/91/03/56/1066910356.db2.gz FMVXRHQWBLWKHU-RTBURBONSA-N 1 0 499.654 4.811 20 0 JJADRO Cc1cc(NC(=O)c2csc(Cc3ccccc3F)n2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001457749394 1066910694 /nfs/dbraw/zinc/91/06/94/1066910694.db2.gz ZFEBSMMZPRMPNA-UHFFFAOYSA-N 1 0 452.599 4.964 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CC[N@H+](C)C2CCCC2)n1 ZINC001492736251 1066911090 /nfs/dbraw/zinc/91/10/90/1066911090.db2.gz ZDHPGVZVTXJVJV-UHFFFAOYSA-N 1 0 489.590 4.669 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cnc3c(F)cccc3c2)cc1Cl ZINC001457752715 1066911487 /nfs/dbraw/zinc/91/14/87/1066911487.db2.gz KJOFKXDPJIEDLV-UHFFFAOYSA-N 1 0 456.949 4.741 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)CCc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492739193 1066914150 /nfs/dbraw/zinc/91/41/50/1066914150.db2.gz YULPXSVOGXJCDF-UHFFFAOYSA-N 1 0 484.092 4.737 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001492740838 1066916108 /nfs/dbraw/zinc/91/61/08/1066916108.db2.gz KNCTUZIERJMPBV-XMMPIXPASA-N 1 0 479.604 4.590 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492742994 1066918434 /nfs/dbraw/zinc/91/84/34/1066918434.db2.gz KMRIJXAZHIPHLT-QZTJIDSGSA-N 1 0 493.622 4.595 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492744283 1066919723 /nfs/dbraw/zinc/91/97/23/1066919723.db2.gz LNDJANOFSZKSBN-IBGZPJMESA-N 1 0 481.611 4.573 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCc4c(F)cc(F)cc4[C@@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001492747484 1066922557 /nfs/dbraw/zinc/92/25/57/1066922557.db2.gz BNKQZAWKLUZQAW-FPOVZHCZSA-N 1 0 485.627 4.518 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492749358 1066924202 /nfs/dbraw/zinc/92/42/02/1066924202.db2.gz ZAWALXISRCLUPI-XQBPLPMBSA-N 1 0 495.638 4.677 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2ccc(Cl)cc2F)n1 ZINC001492752952 1066926256 /nfs/dbraw/zinc/92/62/56/1066926256.db2.gz GSUQLATYHBUOIB-UHFFFAOYSA-N 1 0 488.055 4.539 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)n2CCCC(C)(C)C)n1 ZINC001492751955 1066926294 /nfs/dbraw/zinc/92/62/94/1066926294.db2.gz WNOUPGINGFVEQH-UHFFFAOYSA-N 1 0 481.664 4.817 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](C)Cc2cccs2)n1 ZINC001492753106 1066926448 /nfs/dbraw/zinc/92/64/48/1066926448.db2.gz MLTCDSQOPYUXHO-FQEVSTJZSA-N 1 0 483.730 4.638 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492754173 1066926919 /nfs/dbraw/zinc/92/69/19/1066926919.db2.gz SCXKMNDLPZQZSM-CZBREUMFSA-N 1 0 499.748 4.538 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3CCCC[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC001492758220 1066929673 /nfs/dbraw/zinc/92/96/73/1066929673.db2.gz XQPAKFYVWCFJSA-NRFANRHFSA-N 1 0 455.695 4.644 20 0 JJADRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)c2)C1 ZINC001457869210 1066933582 /nfs/dbraw/zinc/93/35/82/1066933582.db2.gz XKOWFXASSLHYHL-UMXIMWEHSA-N 1 0 481.612 4.768 20 0 JJADRO Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC001492766252 1066938893 /nfs/dbraw/zinc/93/88/93/1066938893.db2.gz GLYSJWKJHJRKEX-REWPJTCUSA-N 1 0 481.714 4.759 20 0 JJADRO COC(=O)c1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1N ZINC001448580094 1066940249 /nfs/dbraw/zinc/94/02/49/1066940249.db2.gz BJPPVEKSPVVHDX-FCHUYYIVSA-N 1 0 463.965 4.563 20 0 JJADRO Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001492775659 1066946211 /nfs/dbraw/zinc/94/62/11/1066946211.db2.gz FKVCNTYNNZNMOJ-LJQANCHMSA-N 1 0 452.416 4.761 20 0 JJADRO Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001492776875 1066946435 /nfs/dbraw/zinc/94/64/35/1066946435.db2.gz JASLSULXDZHFOY-CRAIPNDOSA-N 1 0 495.981 4.530 20 0 JJADRO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492776170 1066946548 /nfs/dbraw/zinc/94/65/48/1066946548.db2.gz SQVRACAHAMITSI-RTVHVFRHSA-N 1 0 488.721 4.710 20 0 JJADRO Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCc1ccc(Br)s1 ZINC001492776499 1066946672 /nfs/dbraw/zinc/94/66/72/1066946672.db2.gz AQFLPMYDIHLXRI-LJQANCHMSA-N 1 0 474.472 4.754 20 0 JJADRO CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)C/C(C)=C/c1ccccc1)[NH+]1CCCC1 ZINC001546008710 1066946949 /nfs/dbraw/zinc/94/69/49/1066946949.db2.gz VRDIBJDTVWNVSC-JYACYGOOSA-N 1 0 461.658 4.554 20 0 JJADRO Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001492777459 1066947071 /nfs/dbraw/zinc/94/70/71/1066947071.db2.gz WWGASMGKVJLAES-HXUWFJFHSA-N 1 0 474.440 4.501 20 0 JJADRO Cc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492785715 1066949093 /nfs/dbraw/zinc/94/90/93/1066949093.db2.gz SLWHRKPDFVIYJT-DDOAZUFRSA-N 1 0 453.675 4.949 20 0 JJADRO Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001492788089 1066949400 /nfs/dbraw/zinc/94/94/00/1066949400.db2.gz HWALXKLZANNYHF-UHFFFAOYSA-N 1 0 498.897 4.776 20 0 JJADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC001457969823 1066949638 /nfs/dbraw/zinc/94/96/38/1066949638.db2.gz HWHROKWKLNOBGJ-NRFANRHFSA-N 1 0 450.505 4.500 20 0 JJADRO CCn1cc(C(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC001457977398 1066950738 /nfs/dbraw/zinc/95/07/38/1066950738.db2.gz CXGYWLCZWAKDLK-OAQYLSRUSA-N 1 0 451.998 4.802 20 0 JJADRO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001492804121 1066953402 /nfs/dbraw/zinc/95/34/02/1066953402.db2.gz FSRODYVVTDCWKN-QGZVFWFLSA-N 1 0 465.564 4.856 20 0 JJADRO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001492804119 1066953456 /nfs/dbraw/zinc/95/34/56/1066953456.db2.gz FSRODYVVTDCWKN-KRWDZBQOSA-N 1 0 465.564 4.856 20 0 JJADRO Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001492803854 1066953512 /nfs/dbraw/zinc/95/35/12/1066953512.db2.gz BHQIZDGRBMBASN-FNZWTVRRSA-N 1 0 476.710 4.570 20 0 JJADRO Cc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001492834360 1066955443 /nfs/dbraw/zinc/95/54/43/1066955443.db2.gz LEEPUPLIQKGDRJ-FQEVSTJZSA-N 1 0 457.638 4.931 20 0 JJADRO C[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001458005121 1066955870 /nfs/dbraw/zinc/95/58/70/1066955870.db2.gz QDDIFQAICKIOKF-CBJLPSGESA-N 1 0 457.659 4.972 20 0 JJADRO C[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001458002110 1066955899 /nfs/dbraw/zinc/95/58/99/1066955899.db2.gz WXUWBGLPMAHXOI-AGILITTLSA-N 1 0 462.615 4.602 20 0 JJADRO Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1Cc1sccc1Br ZINC001492846743 1066957195 /nfs/dbraw/zinc/95/71/95/1066957195.db2.gz HBVFBAMPTBPVEE-WBVHZDCISA-N 1 0 452.466 4.550 20 0 JJADRO Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492845210 1066957237 /nfs/dbraw/zinc/95/72/37/1066957237.db2.gz YBAFRGLYFJEMEC-WBVHZDCISA-N 1 0 456.582 4.568 20 0 JJADRO Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492847628 1066957602 /nfs/dbraw/zinc/95/76/02/1066957602.db2.gz KNCGBIDLEWTMBN-NQIIRXRSSA-N 1 0 465.564 4.819 20 0 JJADRO Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492940814 1066960839 /nfs/dbraw/zinc/96/08/39/1066960839.db2.gz DDCRILPDQIGVTQ-HMFYCAOWSA-N 1 0 490.490 4.683 20 0 JJADRO Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001492941287 1066960925 /nfs/dbraw/zinc/96/09/25/1066960925.db2.gz HAFLCIYCDNKDOK-FQEVSTJZSA-N 1 0 452.430 4.736 20 0 JJADRO Cc1ccc(OCCC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001458057891 1066963640 /nfs/dbraw/zinc/96/36/40/1066963640.db2.gz IQXABMZHWSKUHG-FPOVZHCZSA-N 1 0 459.428 4.943 20 0 JJADRO C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448848610 1066963757 /nfs/dbraw/zinc/96/37/57/1066963757.db2.gz SPHXNMFMLIDPRA-WQDFSMHNSA-N 1 0 469.670 4.829 20 0 JJADRO CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001545701302 1066964240 /nfs/dbraw/zinc/96/42/40/1066964240.db2.gz HUJNLWLSACGCPP-DEOSSOPVSA-N 1 0 494.728 4.575 20 0 JJADRO CO[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001458059855 1066964536 /nfs/dbraw/zinc/96/45/36/1066964536.db2.gz QCYHSWNYZHFLBN-KNBMTAEXSA-N 1 0 451.430 4.615 20 0 JJADRO CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001546010084 1066965150 /nfs/dbraw/zinc/96/51/50/1066965150.db2.gz FGBLFGLZJNDJSU-LADGPHEKSA-N 1 0 471.715 4.926 20 0 JJADRO CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)OC ZINC001546010306 1066967677 /nfs/dbraw/zinc/96/76/77/1066967677.db2.gz JWVLVCFOANMFJH-VWLOTQADSA-N 1 0 483.701 4.991 20 0 JJADRO CC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)OC ZINC001546010352 1066968066 /nfs/dbraw/zinc/96/80/66/1066968066.db2.gz KJEAOMZACRNCAY-GOTSBHOMSA-N 1 0 469.674 4.779 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cc3ccccc3nc2Cl)ccc1Cl ZINC001458076974 1066968449 /nfs/dbraw/zinc/96/84/49/1066968449.db2.gz OAGFRSPVLMKPMD-UHFFFAOYSA-N 1 0 459.377 4.866 20 0 JJADRO COc1ccc(C(=O)CC(C)(C)CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC001448919423 1066969588 /nfs/dbraw/zinc/96/95/88/1066969588.db2.gz HKRGHGQMTCLKRK-UHFFFAOYSA-N 1 0 454.533 4.606 20 0 JJADRO FC(F)(F)c1cccc(N2CC[NH+](CCCNc3ccnc(Cc4ccccc4)n3)CC2)c1 ZINC001458083759 1066970432 /nfs/dbraw/zinc/97/04/32/1066970432.db2.gz WFOJUBMZNCPPAV-UHFFFAOYSA-N 1 0 455.528 4.710 20 0 JJADRO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1NC(=O)OC(C)(C)C ZINC001545714031 1066970465 /nfs/dbraw/zinc/97/04/65/1066970465.db2.gz JIUUYRUDUAONNY-UHFFFAOYSA-N 1 0 453.583 4.799 20 0 JJADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(Br)ccc1C ZINC001458093306 1066972908 /nfs/dbraw/zinc/97/29/08/1066972908.db2.gz LAHSGTQRIIXRDA-FQEVSTJZSA-N 1 0 453.384 4.962 20 0 JJADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC001458094451 1066973150 /nfs/dbraw/zinc/97/31/50/1066973150.db2.gz OZISWVMLFNJTFS-IBGZPJMESA-N 1 0 456.949 4.839 20 0 JJADRO CC[C@@H](c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545719969 1066973919 /nfs/dbraw/zinc/97/39/19/1066973919.db2.gz PIRWTZMUMACAJW-FJIJXJHWSA-N 1 0 463.674 4.798 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)cc1OC ZINC001458100056 1066975083 /nfs/dbraw/zinc/97/50/83/1066975083.db2.gz YSVLMQPOHFBXKE-WJDWOHSUSA-N 1 0 451.611 4.716 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545721437 1066975602 /nfs/dbraw/zinc/97/56/02/1066975602.db2.gz ACCSVRIYPSDFFS-AUSIDOKSSA-N 1 0 453.034 4.847 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2scnc2C)n1CC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545722023 1066976850 /nfs/dbraw/zinc/97/68/50/1066976850.db2.gz MBSYCPZPIXMQGE-SIKLNZKXSA-N 1 0 452.672 4.953 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2cnc(C)s2)n1CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545722214 1066977626 /nfs/dbraw/zinc/97/76/26/1066977626.db2.gz QOJRXWVLMQUYNX-QHCPKHFHSA-N 1 0 452.672 4.953 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2ccoc2C)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545722222 1066977874 /nfs/dbraw/zinc/97/78/74/1066977874.db2.gz QQPMWLZBFTURME-JWQCQUIFSA-N 1 0 465.642 4.715 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545722549 1066978229 /nfs/dbraw/zinc/97/82/29/1066978229.db2.gz WIWGVQOCZIEVJM-DYESRHJHSA-N 1 0 489.590 4.691 20 0 JJADRO CC[C@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CCC[NH+]1CCCCC1)c1ccccc1 ZINC001545723681 1066979129 /nfs/dbraw/zinc/97/91/29/1066979129.db2.gz DAOKUWGUTGWXSO-DEOSSOPVSA-N 1 0 469.674 4.531 20 0 JJADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 ZINC001458113151 1066979367 /nfs/dbraw/zinc/97/93/67/1066979367.db2.gz LLKRQKXUZFAEBF-BZPMIXESSA-N 1 0 453.290 4.547 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC001449048553 1066979477 /nfs/dbraw/zinc/97/94/77/1066979477.db2.gz QKRSSLOYYYAANC-OWTRXNHJSA-N 1 0 470.657 4.957 20 0 JJADRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC1 ZINC001449052037 1066979829 /nfs/dbraw/zinc/97/98/29/1066979829.db2.gz QHYXTNRRTOFOQU-HSZRJFAPSA-N 1 0 455.643 4.714 20 0 JJADRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC1 ZINC001449052050 1066979839 /nfs/dbraw/zinc/97/98/39/1066979839.db2.gz QHYXTNRRTOFOQU-QHCPKHFHSA-N 1 0 455.643 4.714 20 0 JJADRO CC1CC[NH+](Cc2ccccc2CNC(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001449049859 1066979906 /nfs/dbraw/zinc/97/99/06/1066979906.db2.gz JSVPDYSNKUKIQP-JOCHJYFZSA-N 1 0 457.659 4.962 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNc2ncnc3ccc(Br)cc32)cc1OC ZINC001458116022 1066980355 /nfs/dbraw/zinc/98/03/55/1066980355.db2.gz PPYBBKDQEYFQCX-UHFFFAOYSA-N 1 0 459.388 4.734 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2ccsc2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001545724660 1066981737 /nfs/dbraw/zinc/98/17/37/1066981737.db2.gz VEJQKIUFKGJKPM-URXFXBBRSA-N 1 0 466.699 4.544 20 0 JJADRO CCCCc1nc(C)c(CC(=O)Nc2cc(C)nn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001458127072 1066983428 /nfs/dbraw/zinc/98/34/28/1066983428.db2.gz ZMKBNMAZRQOREO-OAQYLSRUSA-N 1 0 451.640 4.927 20 0 JJADRO C[NH+](C)C[C@@H](CNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)cc1 ZINC001449154213 1066985440 /nfs/dbraw/zinc/98/54/40/1066985440.db2.gz DQYGIGZNGCOCNV-OAHLLOKOSA-N 1 0 451.785 4.908 20 0 JJADRO C[NH+](C)C[C@@H](CNC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)c1ccc(Cl)cc1 ZINC001449154475 1066985809 /nfs/dbraw/zinc/98/58/09/1066985809.db2.gz FDVSNVIHBTWIMO-GOSISDBHSA-N 1 0 454.977 4.619 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cc1)C(C)C ZINC001458139019 1066985874 /nfs/dbraw/zinc/98/58/74/1066985874.db2.gz GSFCTEHVTWJSKP-QFIPXVFZSA-N 1 0 454.615 4.783 20 0 JJADRO CC[C@H](c1nnc(N(CC)Cc2cnn(C)c2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545728783 1066986892 /nfs/dbraw/zinc/98/68/92/1066986892.db2.gz RDSDWECOGMQHNE-DEOSSOPVSA-N 1 0 463.674 4.845 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccccc3OCc3c(C)noc3C)C2)s1 ZINC001449179273 1066988040 /nfs/dbraw/zinc/98/80/40/1066988040.db2.gz WADFZCOSKLZGBZ-HXUWFJFHSA-N 1 0 453.608 4.834 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545731154 1066989753 /nfs/dbraw/zinc/98/97/53/1066989753.db2.gz KVQNTSRGPOKKLP-HOUBMWHVSA-N 1 0 471.715 4.651 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545731156 1066990131 /nfs/dbraw/zinc/99/01/31/1066990131.db2.gz KVQNTSRGPOKKLP-ZPFZUWPUSA-N 1 0 471.715 4.651 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545731336 1066990494 /nfs/dbraw/zinc/99/04/94/1066990494.db2.gz MVXHLOYAQAANLV-ZQRMPTRQSA-N 1 0 498.716 4.900 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)C[C@@H]2CC)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545731468 1066991039 /nfs/dbraw/zinc/99/10/39/1066991039.db2.gz OQCXQKYYONEOGH-BPJRBCGYSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545731754 1066991533 /nfs/dbraw/zinc/99/15/33/1066991533.db2.gz SFQYYQMUKVUPDM-UKAVVXHISA-N 1 0 467.580 4.706 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731544 1066991610 /nfs/dbraw/zinc/99/16/10/1066991610.db2.gz PVNYJEOQXOYKIV-WOIUINJBSA-N 1 0 453.034 4.836 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731543 1066991638 /nfs/dbraw/zinc/99/16/38/1066991638.db2.gz PVNYJEOQXOYKIV-NNMXDRDESA-N 1 0 453.034 4.836 20 0 JJADRO CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)N(C)CCC[N@H+](C)Cc1ccco1)OCC3 ZINC001449232625 1066991738 /nfs/dbraw/zinc/99/17/38/1066991738.db2.gz ZISNHDLGOXVOFD-HHHXNRCGSA-N 1 0 451.611 4.872 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731969 1066992415 /nfs/dbraw/zinc/99/24/15/1066992415.db2.gz VSJSNBRKSCFLEJ-WPFOTENUSA-N 1 0 461.658 4.636 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545733436 1066994392 /nfs/dbraw/zinc/99/43/92/1066994392.db2.gz BLZLMDSHOVFBET-JCYRPKCISA-N 1 0 494.728 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545733438 1066994553 /nfs/dbraw/zinc/99/45/53/1066994553.db2.gz BLZLMDSHOVFBET-MVERNJQCSA-N 1 0 494.728 4.681 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1)OC ZINC001546012702 1066994937 /nfs/dbraw/zinc/99/49/37/1066994937.db2.gz MSXDUQRSOUBKJR-QFIPXVFZSA-N 1 0 457.663 4.500 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC001545733929 1066996355 /nfs/dbraw/zinc/99/63/55/1066996355.db2.gz KPZZXIYSXXQDMH-FTJBHMTQSA-N 1 0 480.745 4.966 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545734402 1066997252 /nfs/dbraw/zinc/99/72/52/1066997252.db2.gz RWXXEWDQWYWZSZ-AREMUKBSSA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734525 1066997542 /nfs/dbraw/zinc/99/75/42/1066997542.db2.gz UTTHGIMAOAVXKZ-OTNCWRBYSA-N 1 0 494.728 4.539 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001545736004 1066999365 /nfs/dbraw/zinc/99/93/65/1066999365.db2.gz JTDZQHBWWFVJEL-NRFANRHFSA-N 1 0 479.591 4.710 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735899 1066999479 /nfs/dbraw/zinc/99/94/79/1066999479.db2.gz IDNGLLVTVGFHSO-YLWPMPOJSA-N 1 0 483.701 4.569 20 0 JJADRO C[C@H](C(=O)N1CCN(C)c2cc(Br)ccc21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001449329785 1067000098 /nfs/dbraw/zinc/00/00/98/1067000098.db2.gz RBCJEHZBQRZSTC-GOSISDBHSA-N 1 0 456.428 4.575 20 0 JJADRO CC[N@@H+]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)[C@H](C)C1 ZINC001449337852 1067001827 /nfs/dbraw/zinc/00/18/27/1067001827.db2.gz SJCYHNCIZJUHCQ-GOSISDBHSA-N 1 0 450.608 4.657 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1nnc(C)s1)c1ccccc1 ZINC001545738038 1067001911 /nfs/dbraw/zinc/00/19/11/1067001911.db2.gz ANCQJAFNIXLGNT-QFIPXVFZSA-N 1 0 467.687 4.585 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](CC(C)C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545738126 1067002097 /nfs/dbraw/zinc/00/20/97/1067002097.db2.gz CFLQXHDIQOBTIJ-ZCYQVOJMSA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545738182 1067002263 /nfs/dbraw/zinc/00/22/63/1067002263.db2.gz DELBHZDKHZAGCV-NOZRDPDXSA-N 1 0 467.702 4.928 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001545738225 1067002305 /nfs/dbraw/zinc/00/23/05/1067002305.db2.gz DPOIIEBQTMVRJU-FUHCUZINSA-N 1 0 497.728 4.553 20 0 JJADRO CC[C@H](c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545738610 1067003345 /nfs/dbraw/zinc/00/33/45/1067003345.db2.gz KYABTSFMVWUINI-ZEQRLZLVSA-N 1 0 453.675 4.661 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCCC(=O)N(C)C)c1ccccc1 ZINC001545738824 1067003653 /nfs/dbraw/zinc/00/36/53/1067003653.db2.gz OTSKNOWZJCBBJD-SANMLTNESA-N 1 0 494.728 4.781 20 0 JJADRO O=C(/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001449361587 1067004175 /nfs/dbraw/zinc/00/41/75/1067004175.db2.gz LDDYBDBLLQYBGK-JPVAHNOFSA-N 1 0 456.533 4.542 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001458214167 1067004390 /nfs/dbraw/zinc/00/43/90/1067004390.db2.gz PCLUKTGOJONCOW-CJRSTVEYSA-N 1 0 455.643 4.501 20 0 JJADRO O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001449366167 1067004639 /nfs/dbraw/zinc/00/46/39/1067004639.db2.gz YDJWHGGHLIZWBK-ILBGXUMGSA-N 1 0 459.055 4.876 20 0 JJADRO O=C(c1ccc(Oc2cccc(Cl)c2Cl)nc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001449366344 1067005006 /nfs/dbraw/zinc/00/50/06/1067005006.db2.gz YMAZSAZFPYPBKB-KRWDZBQOSA-N 1 0 450.366 4.508 20 0 JJADRO O=C(c1cccc(N2CCCC2)c1)N(CCn1ccnc1)Cc1ccccc1Br ZINC001449377266 1067005316 /nfs/dbraw/zinc/00/53/16/1067005316.db2.gz VQKYBDOSKPAQCR-UHFFFAOYSA-N 1 0 453.384 4.588 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCCc1nnc(C)s1)c1ccccc1 ZINC001545740581 1067005412 /nfs/dbraw/zinc/00/54/12/1067005412.db2.gz AHBPAOUPFQEKJZ-JOCHJYFZSA-N 1 0 467.687 4.580 20 0 JJADRO CCOC(=O)c1nc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1Br ZINC001458219726 1067006460 /nfs/dbraw/zinc/00/64/60/1067006460.db2.gz NVWLMQXPQXQKSM-QHCPKHFHSA-N 1 0 458.400 4.513 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545740933 1067006575 /nfs/dbraw/zinc/00/65/75/1067006575.db2.gz GPHXQVMRPPTVRE-UFHPHHKVSA-N 1 0 479.669 4.904 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@@H]1CCOC[C@H]1C)c1ccccc1 ZINC001545741712 1067008455 /nfs/dbraw/zinc/00/84/55/1067008455.db2.gz VROVWHHQHLCUEX-NMVJMZGASA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC001545741714 1067008464 /nfs/dbraw/zinc/00/84/64/1067008464.db2.gz VROVWHHQHLCUEX-UMXIMWEHSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC001545741713 1067008638 /nfs/dbraw/zinc/00/86/38/1067008638.db2.gz VROVWHHQHLCUEX-QQKQFIJSSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545741885 1067009005 /nfs/dbraw/zinc/00/90/05/1067009005.db2.gz YHCGFIHKFVHKAY-RUZDIDTESA-N 1 0 480.701 4.532 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCOc1ncccc1Cl)c1ccccc1 ZINC001545742894 1067009205 /nfs/dbraw/zinc/00/92/05/1067009205.db2.gz AAZQOXLWPKTIMG-JOCHJYFZSA-N 1 0 483.060 4.914 20 0 JJADRO CC[C@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545743065 1067009654 /nfs/dbraw/zinc/00/96/54/1067009654.db2.gz CWBKBAIIVNPACC-SFTDATJTSA-N 1 0 479.591 4.588 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@]3(C2)CCCOC3)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545743389 1067010127 /nfs/dbraw/zinc/01/01/27/1067010127.db2.gz JGCUZLIBDVURLX-SQHAQQRYSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545743388 1067010138 /nfs/dbraw/zinc/01/01/38/1067010138.db2.gz JGCUZLIBDVURLX-SHQCIBLASA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1CC)[NH+]1CCCC1 ZINC001546014579 1067010515 /nfs/dbraw/zinc/01/05/15/1067010515.db2.gz LAKLFYSWJMWJIK-QMCAAQAGSA-N 1 0 474.694 4.548 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001545744049 1067011006 /nfs/dbraw/zinc/01/10/06/1067011006.db2.gz VPRKXMMJVOITRA-OAQYLSRUSA-N 1 0 479.591 4.588 20 0 JJADRO CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC1CCOCC1)[NH+]1CCCC1 ZINC001546015077 1067013066 /nfs/dbraw/zinc/01/30/66/1067013066.db2.gz UAIIFTBWOLMZOP-NRFANRHFSA-N 1 0 478.106 4.961 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545745911 1067013429 /nfs/dbraw/zinc/01/34/29/1067013429.db2.gz ICTHKXLLYGLKKR-OARDWFSCSA-N 1 0 483.701 4.572 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545746451 1067014346 /nfs/dbraw/zinc/01/43/46/1067014346.db2.gz PGEODZXAWMBXKA-FCHUYYIVSA-N 1 0 493.618 4.834 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1C[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001545746905 1067015539 /nfs/dbraw/zinc/01/55/39/1067015539.db2.gz WZWRWGUALZRTAL-GMKZXUHWSA-N 1 0 494.709 4.537 20 0 JJADRO CNc1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)c(Cl)c1 ZINC001449608594 1067017446 /nfs/dbraw/zinc/01/74/46/1067017446.db2.gz NIEIGNXUXMOMLE-CYBMUJFWSA-N 1 0 451.796 4.537 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545748503 1067017493 /nfs/dbraw/zinc/01/74/93/1067017493.db2.gz BHHVCAWXHVIMTN-QPTUXGOLSA-N 1 0 482.717 4.681 20 0 JJADRO Cc1ccc(F)c2[nH]c(C(=O)Nc3cc(Br)ccc3N3CC[N@@H+](C)C[C@H]3C)cc21 ZINC001449609650 1067017816 /nfs/dbraw/zinc/01/78/16/1067017816.db2.gz RSURTCVQGIFJQV-CQSZACIVSA-N 1 0 459.363 4.771 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001545748825 1067018444 /nfs/dbraw/zinc/01/84/44/1067018444.db2.gz GGWHXZULCRNXGS-RBZQAINGSA-N 1 0 496.700 4.654 20 0 JJADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001458277634 1067019470 /nfs/dbraw/zinc/01/94/70/1067019470.db2.gz AJSVKIDMKFTYEK-UHFFFAOYSA-N 1 0 456.468 4.934 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545749383 1067019641 /nfs/dbraw/zinc/01/96/41/1067019641.db2.gz NHHMIWAYDCKPRU-QPTUXGOLSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545749382 1067019788 /nfs/dbraw/zinc/01/97/88/1067019788.db2.gz NHHMIWAYDCKPRU-OEMFJLHTSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545749500 1067020678 /nfs/dbraw/zinc/02/06/78/1067020678.db2.gz OUUHCQWKQYXXCP-GOTSBHOMSA-N 1 0 482.717 4.539 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H]2C(C)C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545750044 1067021897 /nfs/dbraw/zinc/02/18/97/1067021897.db2.gz XJUZITTXFRDXNG-DMDYGQEQSA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCCC1CCOCC1)c1ccccc1 ZINC001545751332 1067023301 /nfs/dbraw/zinc/02/33/01/1067023301.db2.gz DGEJAJFHOJMKLR-VWLOTQADSA-N 1 0 453.675 4.947 20 0 JJADRO CCSCc1ccc(NC(=O)[C@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001449732475 1067023885 /nfs/dbraw/zinc/02/38/85/1067023885.db2.gz NEFHRFJLJWDGPI-QFIPXVFZSA-N 1 0 457.640 4.904 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCNC(=O)c1cccs1)c1ccccc1 ZINC001545751654 1067024597 /nfs/dbraw/zinc/02/45/97/1067024597.db2.gz JKMKQJBYGWATJP-QFIPXVFZSA-N 1 0 494.709 4.622 20 0 JJADRO CC[C@H](Cn1c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017002 1067025491 /nfs/dbraw/zinc/02/54/91/1067025491.db2.gz NFAVUNNXVKAULJ-FCHUYYIVSA-N 1 0 490.737 4.971 20 0 JJADRO CC[C@H](c1nnc(N2CCCN(c3ncccc3F)CC2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545751875 1067025791 /nfs/dbraw/zinc/02/57/91/1067025791.db2.gz NECYWNSXCOVCJF-DEOSSOPVSA-N 1 0 493.675 4.801 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCC1CC1)[NH+]1CCCC1 ZINC001546016664 1067027305 /nfs/dbraw/zinc/02/73/05/1067027305.db2.gz IHPQNKARKBHFRG-VXKWHMMOSA-N 1 0 474.694 4.851 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CC(F)(F)CO1)c1ccccc1 ZINC001545752234 1067027387 /nfs/dbraw/zinc/02/73/87/1067027387.db2.gz SVIUEEQGCMUMIZ-SFTDATJTSA-N 1 0 461.601 4.555 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCN(C)CC(F)(F)F)c1ccccc1 ZINC001545752581 1067028893 /nfs/dbraw/zinc/02/88/93/1067028893.db2.gz ZPTJNKIVHHQXFM-NRFANRHFSA-N 1 0 480.623 4.625 20 0 JJADRO CC[C@@H](c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001545756235 1067033316 /nfs/dbraw/zinc/03/33/16/1067033316.db2.gz DHOZFRVGVCATTJ-RBBKRZOGSA-N 1 0 492.634 4.767 20 0 JJADRO C[N@@H+]1CCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC12CCCCC2 ZINC001449888823 1067034132 /nfs/dbraw/zinc/03/41/32/1067034132.db2.gz BZJFZKPEIMEDNR-QHCPKHFHSA-N 1 0 454.014 4.678 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1CCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545757212 1067035343 /nfs/dbraw/zinc/03/53/43/1067035343.db2.gz VNPWIFKSPWCTSJ-UPVQGACJSA-N 1 0 484.689 4.606 20 0 JJADRO Cc1sc2nc(C)nc(SCC(=O)N[C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2c1C ZINC001458345899 1067036976 /nfs/dbraw/zinc/03/69/76/1067036976.db2.gz DDKYOLXPHMMABH-OXJNMPFZSA-N 1 0 454.665 4.735 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545758499 1067038091 /nfs/dbraw/zinc/03/80/91/1067038091.db2.gz IEYYSQXJUABSBW-SAZLYLDSSA-N 1 0 483.701 4.571 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545758478 1067038202 /nfs/dbraw/zinc/03/82/02/1067038202.db2.gz HNHVYCUPWYPLQK-WPFOTENUSA-N 1 0 488.671 4.860 20 0 JJADRO COc1ccc([C@@H](OC)[C@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001458348676 1067038613 /nfs/dbraw/zinc/03/86/13/1067038613.db2.gz LBIHXCFBSFJTJU-MPPVSAIVSA-N 1 0 450.623 4.826 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1Cc1cnn(CC(C)C)c1C)c1ccccc1 ZINC001545758595 1067038938 /nfs/dbraw/zinc/03/89/38/1067038938.db2.gz JKAYLJAHEYWMBS-OFVILXPXSA-N 1 0 463.674 4.560 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458349600 1067039093 /nfs/dbraw/zinc/03/90/93/1067039093.db2.gz MYAJZLQKCSSOLF-WXVAWEFUSA-N 1 0 455.602 4.565 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458349592 1067039413 /nfs/dbraw/zinc/03/94/13/1067039413.db2.gz MYAJZLQKCSSOLF-CUNXSJBXSA-N 1 0 455.602 4.565 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758856 1067040248 /nfs/dbraw/zinc/04/02/48/1067040248.db2.gz OHJRASVORBPBNA-FYYLOGMGSA-N 1 0 492.634 4.625 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001545759187 1067041294 /nfs/dbraw/zinc/04/12/94/1067041294.db2.gz TYFGSMTUICHPTH-XMMPIXPASA-N 1 0 453.675 4.683 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1F)[NH+]1CCCC1 ZINC001546018863 1067041870 /nfs/dbraw/zinc/04/18/70/1067041870.db2.gz KBDWDFZGLUMJMV-MQSCRBSSSA-N 1 0 475.628 4.986 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545759343 1067041861 /nfs/dbraw/zinc/04/18/61/1067041861.db2.gz WNKVVJIIGDOKEH-JTHBVZDNSA-N 1 0 492.634 4.769 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545759412 1067042856 /nfs/dbraw/zinc/04/28/56/1067042856.db2.gz XTUHASUYOAWQJY-DHLKQENFSA-N 1 0 483.701 4.572 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545761196 1067044849 /nfs/dbraw/zinc/04/48/49/1067044849.db2.gz OFGNRDNUJCGORB-PEISPCAHSA-N 1 0 497.728 4.959 20 0 JJADRO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC001450061813 1067045912 /nfs/dbraw/zinc/04/59/12/1067045912.db2.gz HOINQOQURGURIV-HXUWFJFHSA-N 1 0 451.636 4.672 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545763303 1067047088 /nfs/dbraw/zinc/04/70/88/1067047088.db2.gz GTBBKYWMEMMRKW-FLFAWLEMSA-N 1 0 497.728 4.962 20 0 JJADRO CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001458387940 1067048188 /nfs/dbraw/zinc/04/81/88/1067048188.db2.gz QHYVGRHGCHZZPN-BUVFEPMLSA-N 1 0 454.920 4.987 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001545764687 1067049408 /nfs/dbraw/zinc/04/94/08/1067049408.db2.gz ZVOSQYJPQWMSAR-WNCULLNHSA-N 1 0 453.675 4.947 20 0 JJADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cccc(C(F)(F)F)c3F)cc2)C[C@@H]1C ZINC001458396554 1067051197 /nfs/dbraw/zinc/05/11/97/1067051197.db2.gz OMIMYGIRVBWGKR-IRXDYDNUSA-N 1 0 452.492 4.784 20 0 JJADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)C1(c2cccc(Br)c2)CCCCC1 ZINC001450123754 1067051363 /nfs/dbraw/zinc/05/13/63/1067051363.db2.gz ZIQLCLZDRADXDB-JOCHJYFZSA-N 1 0 457.412 4.856 20 0 JJADRO CSc1ccc([C@H](CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)[NH+](C)C)cc1 ZINC001450132520 1067051771 /nfs/dbraw/zinc/05/17/71/1067051771.db2.gz PXHOMMIEISDSBY-RXVVDRJESA-N 1 0 454.665 4.654 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)CSc2ccc(Br)cc2C)[NH+](C)C)cc1 ZINC001450129830 1067052179 /nfs/dbraw/zinc/05/21/79/1067052179.db2.gz NWBUSKHIUCZYRJ-GOSISDBHSA-N 1 0 453.471 4.991 20 0 JJADRO CCOc1ccc(-c2nc(CC(=O)NC[C@H](c3ccc(SC)cc3)[NH+](C)C)cs2)cc1 ZINC001450138115 1067052616 /nfs/dbraw/zinc/05/26/16/1067052616.db2.gz VXZYOTWJXPAVAZ-JOCHJYFZSA-N 1 0 455.649 4.892 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545768592 1067054453 /nfs/dbraw/zinc/05/44/53/1067054453.db2.gz ZPZQISOBUBRPGF-ZDXOVATRSA-N 1 0 481.632 4.892 20 0 JJADRO COc1ccc(OCCC(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001450154041 1067054915 /nfs/dbraw/zinc/05/49/15/1067054915.db2.gz TWCXFTNTRHNRHQ-RUZDIDTESA-N 1 0 459.590 4.553 20 0 JJADRO COc1ccccc1OCCC(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001450158002 1067056099 /nfs/dbraw/zinc/05/60/99/1067056099.db2.gz WRQYEZFIIUPGRH-VWLOTQADSA-N 1 0 459.590 4.553 20 0 JJADRO CC(=O)Nc1cc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1C ZINC001450160452 1067056253 /nfs/dbraw/zinc/05/62/53/1067056253.db2.gz ZIPUWEXCFOHNET-AREMUKBSSA-N 1 0 456.590 4.655 20 0 JJADRO CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CCC[N@@H+](C(C)C)CC1)OC ZINC001545771501 1067058902 /nfs/dbraw/zinc/05/89/02/1067058902.db2.gz QWAWVNZCHMSICX-UHFFFAOYSA-N 1 0 478.479 4.833 20 0 JJADRO Cc1ccc(C2(C(=O)NC[C@@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)c(F)c3)CCOCC2)cc1C ZINC001458445443 1067062715 /nfs/dbraw/zinc/06/27/15/1067062715.db2.gz CGVYLKKBNCABLY-RDPSFJRHSA-N 1 0 459.005 4.953 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)OC ZINC001545773991 1067064149 /nfs/dbraw/zinc/06/41/49/1067064149.db2.gz AGCLIDXSDAIZJU-JOCHJYFZSA-N 1 0 483.701 4.606 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449645 1067064332 /nfs/dbraw/zinc/06/43/32/1067064332.db2.gz SGHYEGFFYYQGOK-SIKLNZKXSA-N 1 0 459.993 4.678 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449537 1067064379 /nfs/dbraw/zinc/06/43/79/1067064379.db2.gz RWOOYYVEURBXCW-CYFREDJKSA-N 1 0 453.945 4.876 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449558 1067064681 /nfs/dbraw/zinc/06/46/81/1067064681.db2.gz RWOOYYVEURBXCW-YADARESESA-N 1 0 453.945 4.876 20 0 JJADRO CCC(CC)(Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C2CCC2)CC1)OC ZINC001545775786 1067069359 /nfs/dbraw/zinc/06/93/59/1067069359.db2.gz KQSOEKQQIQBEIT-UHFFFAOYSA-N 1 0 476.463 4.587 20 0 JJADRO CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)SC ZINC001545775952 1067069954 /nfs/dbraw/zinc/06/99/54/1067069954.db2.gz QGJPFWRMTRMOTR-HSZRJFAPSA-N 1 0 484.758 4.780 20 0 JJADRO CCC(O)(CC)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001546022332 1067074419 /nfs/dbraw/zinc/07/44/19/1067074419.db2.gz CHNNXVKAIRCMEX-FQEVSTJZSA-N 1 0 473.637 4.563 20 0 JJADRO CCOC(=O)c1sc2nc(C)nc(N3CC[N@H+](Cc4ccccc4)C[C@@H]3C(C)C)c2c1C ZINC001458497595 1067074875 /nfs/dbraw/zinc/07/48/75/1067074875.db2.gz UPBJRDLCUNYXHD-HXUWFJFHSA-N 1 0 452.624 4.832 20 0 JJADRO CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)OC ZINC001545780869 1067076700 /nfs/dbraw/zinc/07/67/00/1067076700.db2.gz LRYJQIWMGNIXJF-QHCPKHFHSA-N 1 0 476.669 4.955 20 0 JJADRO CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3cccc(C)c3)CC2)cc1 ZINC001450415970 1067079139 /nfs/dbraw/zinc/07/91/39/1067079139.db2.gz RPPDLMBIAGZXKJ-RRPNLBNLSA-N 1 0 450.623 4.720 20 0 JJADRO CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)SC ZINC001545783962 1067079493 /nfs/dbraw/zinc/07/94/93/1067079493.db2.gz HJGJBJLHJONRNI-NRFANRHFSA-N 1 0 451.725 4.998 20 0 JJADRO CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OC ZINC001545784412 1067080935 /nfs/dbraw/zinc/08/09/35/1067080935.db2.gz SHYPTFJBUXEGBQ-VWNXMTODSA-N 1 0 475.722 4.858 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CC[NH+](CCC(C)C)CC2)CCO1 ZINC001546101708 1067081166 /nfs/dbraw/zinc/08/11/66/1067081166.db2.gz JKFSSRPECPKFBE-PRVBGKCFSA-N 1 0 489.749 4.960 20 0 JJADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001458530422 1067082251 /nfs/dbraw/zinc/08/22/51/1067082251.db2.gz JJPPHUBFMUWFLT-LJQANCHMSA-N 1 0 457.412 4.731 20 0 JJADRO CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001546023142 1067082710 /nfs/dbraw/zinc/08/27/10/1067082710.db2.gz XKAJFTIRGFEQFT-UHFFFAOYSA-N 1 0 482.698 4.706 20 0 JJADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2csc(-c3ccccc3)n2)CC1 ZINC001458535360 1067083445 /nfs/dbraw/zinc/08/34/45/1067083445.db2.gz DHJGDYSNOSCCMR-UHFFFAOYSA-N 1 0 457.397 4.577 20 0 JJADRO CCOC(=O)c1nc(N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc(C(C)(C)C)n1 ZINC001458543515 1067085393 /nfs/dbraw/zinc/08/53/93/1067085393.db2.gz FRLIWAYCNJQGFH-UHFFFAOYSA-N 1 0 450.627 4.833 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001546102119 1067087853 /nfs/dbraw/zinc/08/78/53/1067087853.db2.gz RQJWIWHYDDHWBS-CIZSPKMCSA-N 1 0 489.749 4.959 20 0 JJADRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)C[N@@H+]2C1 ZINC001450555128 1067091299 /nfs/dbraw/zinc/09/12/99/1067091299.db2.gz OHJIDHFBZAIEOZ-QRKMNUTDSA-N 1 0 457.615 4.872 20 0 JJADRO CCCCSc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1C(F)(F)F ZINC001545794018 1067092307 /nfs/dbraw/zinc/09/23/07/1067092307.db2.gz RXIGHOIVYJLLFZ-YLJYHZDGSA-N 1 0 457.606 4.696 20 0 JJADRO CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545796934 1067097567 /nfs/dbraw/zinc/09/75/67/1067097567.db2.gz SPXYSLLMOUWZEO-MDNUFGMLSA-N 1 0 475.722 4.713 20 0 JJADRO CCC(CC)[C@H](CCn1c(-c2ccccn2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545798013 1067098270 /nfs/dbraw/zinc/09/82/70/1067098270.db2.gz DPWVENUIWHPBPR-GCKKQHTFSA-N 1 0 468.690 4.882 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628485 1067098492 /nfs/dbraw/zinc/09/84/92/1067098492.db2.gz JLHVBMHWLRMOMY-DYESRHJHSA-N 1 0 453.380 4.618 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626488 1067098665 /nfs/dbraw/zinc/09/86/65/1067098665.db2.gz HGNAAGYZKYEKQK-LAUBAEHRSA-N 1 0 458.002 4.866 20 0 JJADRO Cc1cccc(COc2cccc(CC(=O)Nc3ccc(C)c(NC(=O)CC[NH+](C)C)c3)c2)c1 ZINC001458655079 1067101317 /nfs/dbraw/zinc/10/13/17/1067101317.db2.gz RXSHETCHZKOZAO-UHFFFAOYSA-N 1 0 459.590 4.954 20 0 JJADRO COc1ccc(CN(C(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)[C@@H](C)C2CC2)cc1 ZINC001450685483 1067102628 /nfs/dbraw/zinc/10/26/28/1067102628.db2.gz GTTSEIVKAMIWJH-FQEVSTJZSA-N 1 0 456.030 4.688 20 0 JJADRO COc1ccc(CN(C(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)[C@H](C)C2CC2)cc1 ZINC001450685486 1067102636 /nfs/dbraw/zinc/10/26/36/1067102636.db2.gz GTTSEIVKAMIWJH-HXUWFJFHSA-N 1 0 456.030 4.688 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2ccc(Br)o2)CC1 ZINC001450689444 1067104004 /nfs/dbraw/zinc/10/40/04/1067104004.db2.gz GNDJXACUESJFFA-UHFFFAOYSA-N 1 0 456.178 4.541 20 0 JJADRO CC(C)[C@@H]1C[C@H](CC(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)CCO1 ZINC001450698381 1067105965 /nfs/dbraw/zinc/10/59/65/1067105965.db2.gz XVRNRQJFNPMRLV-GCJKJVERSA-N 1 0 451.449 4.713 20 0 JJADRO CCC(CC)[C@H](CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545801218 1067108745 /nfs/dbraw/zinc/10/87/45/1067108745.db2.gz SLJNVEQLMVPPMC-BLPJSXLPSA-N 1 0 475.722 4.714 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545802870 1067111270 /nfs/dbraw/zinc/11/12/70/1067111270.db2.gz CZFPQAYMGOIJKK-TUSQITKMSA-N 1 0 469.674 4.505 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+](C)C ZINC001545803208 1067111922 /nfs/dbraw/zinc/11/19/22/1067111922.db2.gz JQIKRBWRHMVZJJ-HSZRJFAPSA-N 1 0 498.716 4.907 20 0 JJADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC001450730721 1067112211 /nfs/dbraw/zinc/11/22/11/1067112211.db2.gz SXJCSXKPQOTWQF-UHFFFAOYSA-N 1 0 455.553 4.572 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1)[NH+](C)C ZINC001545803600 1067113447 /nfs/dbraw/zinc/11/34/47/1067113447.db2.gz QIIVTGLOKYUYDS-HVCNVCAESA-N 1 0 496.700 4.519 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)[NH+](C)C ZINC001545803602 1067113461 /nfs/dbraw/zinc/11/34/61/1067113461.db2.gz QIIVTGLOKYUYDS-VJTSUQJLSA-N 1 0 496.700 4.519 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001545803607 1067114119 /nfs/dbraw/zinc/11/41/19/1067114119.db2.gz QJXHMUQRJGSZKM-XMMPIXPASA-N 1 0 487.652 4.586 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545804906 1067117363 /nfs/dbraw/zinc/11/73/63/1067117363.db2.gz DPUSAGGBODDKEQ-CVDCTZTESA-N 1 0 491.627 4.920 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001545804993 1067117547 /nfs/dbraw/zinc/11/75/47/1067117547.db2.gz GFBCRLWAGWWGAL-LZJOCLMNSA-N 1 0 479.511 4.895 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001545805276 1067118926 /nfs/dbraw/zinc/11/89/26/1067118926.db2.gz KSEYMVYMOJDILU-IPJJNNNSSA-N 1 0 475.653 4.927 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545805257 1067118946 /nfs/dbraw/zinc/11/89/46/1067118946.db2.gz KBUYYXHKRLOIFW-WOVHNISZSA-N 1 0 499.700 4.582 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(C)C)CC1)[NH+](C)C ZINC001545805421 1067119661 /nfs/dbraw/zinc/11/96/61/1067119661.db2.gz MWHIPQYPMXNFHM-DEOSSOPVSA-N 1 0 489.730 4.587 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1)[NH+](C)C ZINC001545805382 1067119762 /nfs/dbraw/zinc/11/97/62/1067119762.db2.gz MIFPZIIHCQXAGW-RCZVLFRGSA-N 1 0 457.688 4.654 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nccs2)C1)[NH+](C)C ZINC001545805597 1067120286 /nfs/dbraw/zinc/12/02/86/1067120286.db2.gz PNIGBAZWJNKWES-LEWJYISDSA-N 1 0 489.089 4.999 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(CC)C1)[NH+]1CCOCC1 ZINC001545805668 1067121066 /nfs/dbraw/zinc/12/10/66/1067121066.db2.gz QKDHQILQRKGIIO-SQHAQQRYSA-N 1 0 469.674 4.717 20 0 JJADRO CC(C)Cc1ccc([C@H](CNC(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)[NH+](C)C)cc1 ZINC001450794273 1067121790 /nfs/dbraw/zinc/12/17/90/1067121790.db2.gz FZGRJRNRCFFVLR-QFIPXVFZSA-N 1 0 457.659 4.832 20 0 JJADRO COc1c(Br)ccc(F)c1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450800630 1067122669 /nfs/dbraw/zinc/12/26/69/1067122669.db2.gz MUCZOQNMUXCGDK-IBGZPJMESA-N 1 0 451.380 4.828 20 0 JJADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450802743 1067123408 /nfs/dbraw/zinc/12/34/08/1067123408.db2.gz NOASOBYTDNNFKY-HXUWFJFHSA-N 1 0 457.416 4.636 20 0 JJADRO COC(=O)C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC001450803100 1067123416 /nfs/dbraw/zinc/12/34/16/1067123416.db2.gz OLOSCDWWAJICCE-KDYSTLNUSA-N 1 0 458.602 4.903 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001546026296 1067124029 /nfs/dbraw/zinc/12/40/29/1067124029.db2.gz KKDVLLFVZLINQI-NZQKXSOJSA-N 1 0 465.642 4.887 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N(C)C1CCC(NC(C)=O)CC1)[NH+](C)C ZINC001545807164 1067124332 /nfs/dbraw/zinc/12/43/32/1067124332.db2.gz BRUHLTMDAWECSZ-RVMZIBIISA-N 1 0 468.690 4.503 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)[NH+](C)C ZINC001545807400 1067125611 /nfs/dbraw/zinc/12/56/11/1067125611.db2.gz HKNJERDVPNCKQU-QDPGVEIFSA-N 1 0 496.700 4.640 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](COC)C1)[NH+](C)C ZINC001545807318 1067125622 /nfs/dbraw/zinc/12/56/22/1067125622.db2.gz GDKARAFVVATRGB-IERDGZPVSA-N 1 0 452.018 4.577 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1C)[NH+]1CCOCC1 ZINC001545807470 1067126107 /nfs/dbraw/zinc/12/61/07/1067126107.db2.gz ILRWUNIONYKIKC-XMSQKQJNSA-N 1 0 476.065 4.733 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C)CC1)[NH+](C)C ZINC001545807746 1067128228 /nfs/dbraw/zinc/12/82/28/1067128228.db2.gz NRANZXNYDFKWBE-KNQAVFIVSA-N 1 0 455.647 4.709 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C ZINC001545807773 1067128313 /nfs/dbraw/zinc/12/83/13/1067128313.db2.gz OCTAHYGRFZMGCW-UPVQGACJSA-N 1 0 469.605 4.930 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC001545807937 1067130184 /nfs/dbraw/zinc/13/01/84/1067130184.db2.gz PTSKMKDOMYQAIP-DXIQSLLYSA-N 1 0 455.647 4.565 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001545807940 1067130388 /nfs/dbraw/zinc/13/03/88/1067130388.db2.gz PTSKMKDOMYQAIP-KNKQGSTJSA-N 1 0 455.647 4.565 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)[NH+](C)C ZINC001545807902 1067130407 /nfs/dbraw/zinc/13/04/07/1067130407.db2.gz PGOMLHUWGPFTPA-OIBXWCBGSA-N 1 0 490.092 4.979 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001545807964 1067130934 /nfs/dbraw/zinc/13/09/34/1067130934.db2.gz QBWXEGHTARHFBW-JTHBVZDNSA-N 1 0 491.627 4.572 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001545808004 1067131112 /nfs/dbraw/zinc/13/11/12/1067131112.db2.gz QRFQHRQTPCMWFS-XPGWFJOJSA-N 1 0 466.443 4.868 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001545808167 1067132203 /nfs/dbraw/zinc/13/22/03/1067132203.db2.gz UGDGVWGRCOJOPC-PMACEKPBSA-N 1 0 497.034 4.612 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC001545808202 1067132243 /nfs/dbraw/zinc/13/22/43/1067132243.db2.gz UQUZPBZSEOJWIP-OFVILXPXSA-N 1 0 483.701 4.963 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC001545808203 1067132360 /nfs/dbraw/zinc/13/23/60/1067132360.db2.gz UQUZPBZSEOJWIP-PXDATVDWSA-N 1 0 483.701 4.963 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1)[NH+](C)C ZINC001545808238 1067132981 /nfs/dbraw/zinc/13/29/81/1067132981.db2.gz VJSCPTKXKNALAM-SLSDLSHTSA-N 1 0 453.675 4.955 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)[NH+](C)C ZINC001545808310 1067133559 /nfs/dbraw/zinc/13/35/59/1067133559.db2.gz WNRGKSVBSRNJJZ-OAQYLSRUSA-N 1 0 493.681 4.967 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC001545808325 1067133574 /nfs/dbraw/zinc/13/35/74/1067133574.db2.gz WTRWDFPCRDGAHY-CTNGQTDRSA-N 1 0 485.702 4.553 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)[NH+](C)C ZINC001545808367 1067133607 /nfs/dbraw/zinc/13/36/07/1067133607.db2.gz XFALFSPWAKGUAA-DEOSSOPVSA-N 1 0 484.689 4.616 20 0 JJADRO CCCCCC[C@H](O)CCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001450908597 1067135338 /nfs/dbraw/zinc/13/53/38/1067135338.db2.gz SHESCPPBQVVVRC-DEOSSOPVSA-N 1 0 450.067 4.565 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1)[NH+](C)C ZINC001545809452 1067135725 /nfs/dbraw/zinc/13/57/25/1067135725.db2.gz DBGBPZSPSWBUID-BWKHYTDRSA-N 1 0 460.066 4.684 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(O)(c2ccccc2Cl)CC1)[NH+](C)C ZINC001545809402 1067135779 /nfs/dbraw/zinc/13/57/79/1067135779.db2.gz BZFZCTMZHCUDFK-DEOSSOPVSA-N 1 0 497.087 4.848 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545809970 1067136896 /nfs/dbraw/zinc/13/68/96/1067136896.db2.gz NTVLTYDUUFFVJD-SIKLNZKXSA-N 1 0 488.652 4.554 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001545809789 1067136942 /nfs/dbraw/zinc/13/69/42/1067136942.db2.gz JYOOGXTYGHBHBA-VWLOTQADSA-N 1 0 476.669 4.749 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545810231 1067137427 /nfs/dbraw/zinc/13/74/27/1067137427.db2.gz RZSOVTSHOYWCNU-ZEQRLZLVSA-N 1 0 483.060 4.938 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545810360 1067138135 /nfs/dbraw/zinc/13/81/35/1067138135.db2.gz VDNLGIKSLJTEMT-ISKFKSNPSA-N 1 0 483.701 4.963 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2Cl)CC1)[NH+](C)C ZINC001545810655 1067138218 /nfs/dbraw/zinc/13/82/18/1067138218.db2.gz ZOGHTFOLVFREER-QHCPKHFHSA-N 1 0 470.065 4.620 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(F)cccc1Cl)[NH+]1CCOCC1 ZINC001545810367 1067138239 /nfs/dbraw/zinc/13/82/39/1067138239.db2.gz VGTPMJZURZKCLL-QHCPKHFHSA-N 1 0 489.039 4.839 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ccoc1)[NH+]1CCOCC1 ZINC001545810296 1067138250 /nfs/dbraw/zinc/13/82/50/1067138250.db2.gz UGHUDQCJTWBYTR-HSZRJFAPSA-N 1 0 472.033 4.965 20 0 JJADRO CN1CC[C@@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001545811287 1067139451 /nfs/dbraw/zinc/13/94/51/1067139451.db2.gz RCHIUCLZEFEOEU-APWZRJJASA-N 1 0 450.739 4.898 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@](C)(CC)C1)[NH+](C)C ZINC001545811812 1067139657 /nfs/dbraw/zinc/13/96/57/1067139657.db2.gz CPFFGSLXDCOYMV-KCWPFWIISA-N 1 0 480.657 4.972 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1cccc(F)c1)[NH+](C)C ZINC001545812170 1067140013 /nfs/dbraw/zinc/14/00/13/1067140013.db2.gz KAKMITSEEXBZHA-GOTSBHOMSA-N 1 0 453.610 4.526 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC[C@H](C)C1)[NH+](C)C ZINC001545811973 1067140110 /nfs/dbraw/zinc/14/01/10/1067140110.db2.gz GJHLQMHFKGHIHO-AVRDEDQJSA-N 1 0 465.646 4.587 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545812261 1067140737 /nfs/dbraw/zinc/14/07/37/1067140737.db2.gz KXAFERVHHYTWMZ-GBXCKJPGSA-N 1 0 479.673 4.501 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545812262 1067140775 /nfs/dbraw/zinc/14/07/75/1067140775.db2.gz KXAFERVHHYTWMZ-HYBUGGRVSA-N 1 0 479.673 4.501 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@@H](C(C)C)C1)[NH+](C)C ZINC001545812589 1067141125 /nfs/dbraw/zinc/14/11/25/1067141125.db2.gz QXARJHAWWODCES-QPPBQGQZSA-N 1 0 493.700 4.524 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F)[NH+](C)C ZINC001545812401 1067141150 /nfs/dbraw/zinc/14/11/50/1067141150.db2.gz OFDZCJGJDBYOLD-AOMKIAJQSA-N 1 0 457.573 4.577 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1)[NH+](C)C ZINC001545814486 1067142481 /nfs/dbraw/zinc/14/24/81/1067142481.db2.gz BMZVRYNLWVKJBD-RUZDIDTESA-N 1 0 480.701 4.619 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C)=C(C)C1)[NH+](C)C ZINC001545814607 1067142510 /nfs/dbraw/zinc/14/25/10/1067142510.db2.gz DJQJJUAWLXBVTF-URXFXBBRSA-N 1 0 453.631 4.704 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1)[NH+](C)C ZINC001545814646 1067143011 /nfs/dbraw/zinc/14/30/11/1067143011.db2.gz FAHFVKJZEKKZQG-LSQMVHIFSA-N 1 0 469.674 4.541 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)[NH+](C)C ZINC001545814622 1067143031 /nfs/dbraw/zinc/14/30/31/1067143031.db2.gz DRLICUUMTXSQND-PMVMPFDFSA-N 1 0 488.721 4.748 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001545814951 1067143453 /nfs/dbraw/zinc/14/34/53/1067143453.db2.gz JUXNVQOZEGGTDY-KMDXXIMOSA-N 1 0 461.695 4.529 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C1CCCC1)[NH+](C)C ZINC001545814989 1067143547 /nfs/dbraw/zinc/14/35/47/1067143547.db2.gz KNGJXSYKELNEQA-URXFXBBRSA-N 1 0 455.647 4.926 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2CC1)[NH+](C)C ZINC001545815372 1067144687 /nfs/dbraw/zinc/14/46/87/1067144687.db2.gz PTJWXOHRFRUCAU-RPWUZVMVSA-N 1 0 499.700 4.509 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ccsc1)[NH+](C)C ZINC001545815211 1067144730 /nfs/dbraw/zinc/14/47/30/1067144730.db2.gz NNUCMBWWEWBVSX-NZQKXSOJSA-N 1 0 469.655 4.855 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001545815586 1067145111 /nfs/dbraw/zinc/14/51/11/1067145111.db2.gz RXUKEQKTVPHAQW-RUZDIDTESA-N 1 0 480.701 4.655 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCC(c2cnn(CC)c2)CC1)[NH+](C)C ZINC001545815864 1067145176 /nfs/dbraw/zinc/14/51/76/1067145176.db2.gz WSSKZGLSSYMMFZ-DEOSSOPVSA-N 1 0 455.695 4.903 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+](C)C ZINC001545815943 1067145961 /nfs/dbraw/zinc/14/59/61/1067145961.db2.gz XYXYWMIMERWUCP-XMMPIXPASA-N 1 0 474.644 4.907 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCOCC1 ZINC001545816092 1067146017 /nfs/dbraw/zinc/14/60/17/1067146017.db2.gz ZVGCWIWAKYVRCX-JOCHJYFZSA-N 1 0 479.591 4.736 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](Oc2ncccc2F)C1)[NH+](C)C ZINC001545817040 1067146411 /nfs/dbraw/zinc/14/64/11/1067146411.db2.gz CREKZORBXKMBDA-UNMCSNQZSA-N 1 0 474.669 4.815 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@](C)(c2ccccc2)C1)[NH+](C)C ZINC001545817410 1067149184 /nfs/dbraw/zinc/14/91/84/1067149184.db2.gz JLRJMTCYMWTHNF-SQHAQQRYSA-N 1 0 496.725 4.752 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001545817575 1067149960 /nfs/dbraw/zinc/14/99/60/1067149960.db2.gz LXIRXEPMKYDUAD-DHIUTWEWSA-N 1 0 459.654 4.626 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@@H](c2ccccc2)C1)[NH+]1CCOCC1 ZINC001545817674 1067151142 /nfs/dbraw/zinc/15/11/42/1067151142.db2.gz NZVWMNQPUKUKLB-JWQCQUIFSA-N 1 0 453.675 4.608 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N(C)C1CCC2(CC1)OCCO2)[NH+](C)C ZINC001545817878 1067151795 /nfs/dbraw/zinc/15/17/95/1067151795.db2.gz RHTHRWYNJSGUNS-VWLOTQADSA-N 1 0 483.701 4.666 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C)[NH+](C)C ZINC001545819154 1067153233 /nfs/dbraw/zinc/15/32/33/1067153233.db2.gz ASNPVGMWUBFWHN-VXNXHJTFSA-N 1 0 453.675 4.933 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1)[NH+](C)C ZINC001545819166 1067153281 /nfs/dbraw/zinc/15/32/81/1067153281.db2.gz AWQCFPQLXIHATN-GOTSBHOMSA-N 1 0 469.703 4.643 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@H](COc3ccccc3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819291 1067153774 /nfs/dbraw/zinc/15/37/74/1067153774.db2.gz COKQJUKIIRTNHR-DHLKQENFSA-N 1 0 483.701 4.618 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CCC(OCc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819361 1067154435 /nfs/dbraw/zinc/15/44/35/1067154435.db2.gz DSKGUAIZFSAAMB-AREMUKBSSA-N 1 0 497.728 4.898 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(C)(c2nc(C)no2)CC1)[NH+](C)C ZINC001545819447 1067154840 /nfs/dbraw/zinc/15/48/40/1067154840.db2.gz GEXGYJPLMNYHOV-NRFANRHFSA-N 1 0 485.702 4.546 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545819637 1067155501 /nfs/dbraw/zinc/15/55/01/1067155501.db2.gz JVHCRZLWHXVLPS-PTUXOGIPSA-N 1 0 490.737 4.727 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2cccc(F)c2)C1)[NH+](C)C ZINC001545819644 1067155544 /nfs/dbraw/zinc/15/55/44/1067155544.db2.gz JXDIDNUEWTWYCE-ZCYQVOJMSA-N 1 0 481.664 4.639 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545819959 1067156473 /nfs/dbraw/zinc/15/64/73/1067156473.db2.gz PCECLBWNSMEBQE-GIVPXCGWSA-N 1 0 478.726 4.682 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001545820106 1067157199 /nfs/dbraw/zinc/15/71/99/1067157199.db2.gz RCFDVODYONVPCT-NZQKXSOJSA-N 1 0 459.704 4.782 20 0 JJADRO Cc1ccc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1NC(=O)c1ccc(Br)cc1 ZINC001451306654 1067158440 /nfs/dbraw/zinc/15/84/40/1067158440.db2.gz AWRJYFQMOBSELD-UHFFFAOYSA-N 1 0 458.400 4.614 20 0 JJADRO CCc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001451308509 1067158583 /nfs/dbraw/zinc/15/85/83/1067158583.db2.gz XTKOSCYRRYIKRA-UHFFFAOYSA-N 1 0 451.611 4.538 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC(F)(F)F)[NH+](C)C ZINC001545820308 1067158507 /nfs/dbraw/zinc/15/85/07/1067158507.db2.gz VLEYBIBXVCGFNG-HXUWFJFHSA-N 1 0 450.553 4.646 20 0 JJADRO CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545820260 1067158568 /nfs/dbraw/zinc/15/85/68/1067158568.db2.gz UVHZUAXIYNHMBS-COPCDDAFSA-N 1 0 481.607 4.586 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C)[NH+](C)C ZINC001545821380 1067160484 /nfs/dbraw/zinc/16/04/84/1067160484.db2.gz BUOJPBMYTNCGIM-ZHHKINOHSA-N 1 0 463.711 4.567 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]1C)[NH+]1CCOCC1 ZINC001545820540 1067160520 /nfs/dbraw/zinc/16/05/20/1067160520.db2.gz ZMUSAUDDRNPIJT-VWNXMTODSA-N 1 0 469.674 4.600 20 0 JJADRO COc1ccc([C@H](CNC(=O)COc2ccc(Cl)c3cccnc23)[NH+]2CCCCC2)cc1 ZINC001458829176 1067160705 /nfs/dbraw/zinc/16/07/05/1067160705.db2.gz OLFXYERGYOVXRL-QFIPXVFZSA-N 1 0 453.970 4.619 20 0 JJADRO C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001458833558 1067162369 /nfs/dbraw/zinc/16/23/69/1067162369.db2.gz CDZPJLWENDIHNA-QMLYXQNNSA-N 1 0 458.046 4.504 20 0 JJADRO Cc1cc(F)ccc1-n1ccc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)n1 ZINC001458834962 1067163602 /nfs/dbraw/zinc/16/36/02/1067163602.db2.gz ICDJAEDSTMDSOI-HSZRJFAPSA-N 1 0 456.512 4.944 20 0 JJADRO CC(C)([C@@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458838817 1067166116 /nfs/dbraw/zinc/16/61/16/1067166116.db2.gz UABPUHBKMUGDNN-QHCPKHFHSA-N 1 0 454.496 4.906 20 0 JJADRO CC(C)([C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458839941 1067167425 /nfs/dbraw/zinc/16/74/25/1067167425.db2.gz VLDFLCSWDHJOAD-QFIPXVFZSA-N 1 0 456.562 4.758 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)on1 ZINC001545823518 1067167562 /nfs/dbraw/zinc/16/75/62/1067167562.db2.gz OWFYDXUOODGOBP-RTBURBONSA-N 1 0 496.656 4.821 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3cccc(C)n3)nnc2N2CCC([NH2+]C(C)C)CC2)on1 ZINC001545823735 1067168241 /nfs/dbraw/zinc/16/82/41/1067168241.db2.gz WYPUUFBEMFVNEP-UHFFFAOYSA-N 1 0 451.619 4.555 20 0 JJADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(C)nc2cc(Br)ccc21 ZINC001451460127 1067173268 /nfs/dbraw/zinc/17/32/68/1067173268.db2.gz QWFFOCQMODBGMP-UHFFFAOYSA-N 1 0 458.356 4.507 20 0 JJADRO CCC(CC)c1cc(Cn2c(N3CCC(OCC[NH+]4CCCC4)CC3)nnc2C(C)(C)C)on1 ZINC001545826569 1067175100 /nfs/dbraw/zinc/17/51/00/1067175100.db2.gz QAGIGQZLKSHLGY-UHFFFAOYSA-N 1 0 472.678 4.597 20 0 JJADRO CCC(CC)c1cc(Cn2c(N3CC[NH+](CCc4ccccc4)CC3)nnc2C(C)(C)C)on1 ZINC001545826563 1067175117 /nfs/dbraw/zinc/17/51/17/1067175117.db2.gz PTAVRWWXFUFELP-UHFFFAOYSA-N 1 0 464.658 4.880 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001545828104 1067178271 /nfs/dbraw/zinc/17/82/71/1067178271.db2.gz KDIZIRFCDLLJCO-JOCHJYFZSA-N 1 0 464.614 4.703 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001451585673 1067179746 /nfs/dbraw/zinc/17/97/46/1067179746.db2.gz JFDVQGASNSIHGF-UHRQBARKSA-N 1 0 469.670 4.734 20 0 JJADRO C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC001458871758 1067180972 /nfs/dbraw/zinc/18/09/72/1067180972.db2.gz CZNOOQQNHWYZPU-GABPYWAHSA-N 1 0 451.577 4.904 20 0 JJADRO C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875662 1067182382 /nfs/dbraw/zinc/18/23/82/1067182382.db2.gz LFKGUBOUDLJVDR-LEOXJPRUSA-N 1 0 453.593 4.995 20 0 JJADRO CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC001451650183 1067183064 /nfs/dbraw/zinc/18/30/64/1067183064.db2.gz WIHFAVLDJUAZOL-DMTNHVFBSA-N 1 0 477.649 4.658 20 0 JJADRO CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001458877077 1067183136 /nfs/dbraw/zinc/18/31/36/1067183136.db2.gz NXLMSYZYKKMYQK-DHIUTWEWSA-N 1 0 453.593 4.824 20 0 JJADRO CCCOc1ccc(C(=O)CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001545834776 1067184661 /nfs/dbraw/zinc/18/46/61/1067184661.db2.gz ZQMOFFKURSMHKU-WUFINQPMSA-N 1 0 470.613 4.999 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001545835142 1067186540 /nfs/dbraw/zinc/18/65/40/1067186540.db2.gz MUMXZISFIIHZPY-GOSISDBHSA-N 1 0 494.606 4.584 20 0 JJADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001451789769 1067191369 /nfs/dbraw/zinc/19/13/69/1067191369.db2.gz VRMXQMYNOPYBHP-FQEVSTJZSA-N 1 0 453.435 4.862 20 0 JJADRO CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C(C)(C)C)CC4)n[nH]2)c1C ZINC001451893554 1067196655 /nfs/dbraw/zinc/19/66/55/1067196655.db2.gz YAXSWJSRMNSVML-ZDUSSCGKSA-N 1 0 455.632 4.726 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001545848852 1067201680 /nfs/dbraw/zinc/20/16/80/1067201680.db2.gz GZSBIKDBOGMMMK-PQNGQFLHSA-N 1 0 466.674 4.658 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001545849938 1067204634 /nfs/dbraw/zinc/20/46/34/1067204634.db2.gz WWLYHQASKIVDCQ-NRSPTQNISA-N 1 0 472.703 4.720 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001545849935 1067204764 /nfs/dbraw/zinc/20/47/64/1067204764.db2.gz WWLYHQASKIVDCQ-GIVPXCGWSA-N 1 0 472.703 4.720 20 0 JJADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccn1-c1c(Cl)cccc1Cl ZINC001458970499 1067213057 /nfs/dbraw/zinc/21/30/57/1067213057.db2.gz BUWBOHNFDMZEAX-IBGZPJMESA-N 1 0 458.389 4.805 20 0 JJADRO CCc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001458973142 1067213821 /nfs/dbraw/zinc/21/38/21/1067213821.db2.gz KNTDTAOREZKRLE-IBGZPJMESA-N 1 0 453.970 4.578 20 0 JJADRO CCC(O)(CC)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001546037230 1067215814 /nfs/dbraw/zinc/21/58/14/1067215814.db2.gz XTWZHUAYTVCFDG-UHFFFAOYSA-N 1 0 483.701 4.521 20 0 JJADRO CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001546038250 1067221858 /nfs/dbraw/zinc/22/18/58/1067221858.db2.gz HAHZMDMCIZDBFH-QFIPXVFZSA-N 1 0 453.675 4.663 20 0 JJADRO Cc1c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001458997353 1067224707 /nfs/dbraw/zinc/22/47/07/1067224707.db2.gz HQIXBZDUXTZCFM-UHFFFAOYSA-N 1 0 457.500 4.504 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001452532031 1067232569 /nfs/dbraw/zinc/23/25/69/1067232569.db2.gz RERRZQUYWRAEND-BJKOFHAPSA-N 1 0 469.670 4.975 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](CO)c2csc(C(C)C)n2)c1 ZINC001452568888 1067235227 /nfs/dbraw/zinc/23/52/27/1067235227.db2.gz SWUFWAILWOLUBT-VXNXHJTFSA-N 1 0 463.647 4.640 20 0 JJADRO C[N@@H+]1CCN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C[C@@H]1C(C)(C)C ZINC001452605185 1067236173 /nfs/dbraw/zinc/23/61/73/1067236173.db2.gz WDARWQMMNVEKRV-HSZRJFAPSA-N 1 0 459.700 4.810 20 0 JJADRO CCC(O)(CC)Cn1c(N2CC[NH+](CCC(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001546043393 1067246054 /nfs/dbraw/zinc/24/60/54/1067246054.db2.gz RDDWBJHGHNCIMU-UHFFFAOYSA-N 1 0 467.702 4.857 20 0 JJADRO O=C(OCc1ccccc1)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459116217 1067254003 /nfs/dbraw/zinc/25/40/03/1067254003.db2.gz UREMIZJFNYIAMI-SXOMAYOGSA-N 1 0 456.586 4.542 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC001453171118 1067285943 /nfs/dbraw/zinc/28/59/43/1067285943.db2.gz PMIPJNZQAMMCQU-UHFFFAOYSA-N 1 0 458.002 4.580 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)O1 ZINC001546049318 1067295873 /nfs/dbraw/zinc/29/58/73/1067295873.db2.gz YFXVPMRRQAMGTH-SKCUWOTOSA-N 1 0 499.700 4.868 20 0 JJADRO COCCCNC(=O)C1CC[NH+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)CC1 ZINC001459346093 1067299365 /nfs/dbraw/zinc/29/93/65/1067299365.db2.gz KCDIQKQKDWXZNC-UHFFFAOYSA-N 1 0 455.546 4.502 20 0 JJADRO CC(C)(C)OC(=O)NCCCCCCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001459346914 1067299586 /nfs/dbraw/zinc/29/95/86/1067299586.db2.gz BGZFCNZGPXLVHQ-UHFFFAOYSA-N 1 0 452.039 4.963 20 0 JJADRO COc1ccc(C[N@H+](CC(=O)Nc2c(F)cc(F)cc2Br)[C@@H](C)C2CC2)cc1 ZINC001459355671 1067301981 /nfs/dbraw/zinc/30/19/81/1067301981.db2.gz YDDCKXZZKWXRBD-ZDUSSCGKSA-N 1 0 453.327 4.975 20 0 JJADRO CC[N@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccc(Br)c1 ZINC001459366403 1067304539 /nfs/dbraw/zinc/30/45/39/1067304539.db2.gz FPHZIQUHAPKZMK-UHFFFAOYSA-N 1 0 455.780 4.970 20 0 JJADRO Cc1sc2ncnc(SCC(=O)N3CC[N@H+](Cc4ccccc4)[C@H](C(C)C)C3)c2c1C ZINC001453493726 1067309322 /nfs/dbraw/zinc/30/93/22/1067309322.db2.gz GWMQMDXGOCRVCR-FQEVSTJZSA-N 1 0 454.665 4.769 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC001453496437 1067309438 /nfs/dbraw/zinc/30/94/38/1067309438.db2.gz MFPKZDMSYGGFBE-NRFANRHFSA-N 1 0 457.496 4.942 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001453495271 1067309526 /nfs/dbraw/zinc/30/95/26/1067309526.db2.gz KSIMVKDXFHIUBT-ZEQRLZLVSA-N 1 0 451.611 4.621 20 0 JJADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386755 1067309930 /nfs/dbraw/zinc/30/99/30/1067309930.db2.gz ORCBUJABVFNHBW-UPVQGACJSA-N 1 0 451.655 4.639 20 0 JJADRO CC(C)[C@H]1CN(C(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001453502457 1067310016 /nfs/dbraw/zinc/31/00/16/1067310016.db2.gz XERZLYDLTAUXRO-HSZRJFAPSA-N 1 0 455.643 4.678 20 0 JJADRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386760 1067310374 /nfs/dbraw/zinc/31/03/74/1067310374.db2.gz ORCBUJABVFNHBW-VWNXMTODSA-N 1 0 451.655 4.639 20 0 JJADRO CC(C)(C)c1ccc2c(c1)CCN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C2 ZINC001459400421 1067313789 /nfs/dbraw/zinc/31/37/89/1067313789.db2.gz RKPAZUFKYVQFAG-RUZDIDTESA-N 1 0 454.058 4.949 20 0 JJADRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001459401948 1067314275 /nfs/dbraw/zinc/31/42/75/1067314275.db2.gz WFCHGTPUFQRLNA-SGNDLWITSA-N 1 0 458.643 4.892 20 0 JJADRO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC001459410888 1067315513 /nfs/dbraw/zinc/31/55/13/1067315513.db2.gz GYTFFNVQRYHGIL-KRWDZBQOSA-N 1 0 455.580 4.780 20 0 JJADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC001459411848 1067316680 /nfs/dbraw/zinc/31/66/80/1067316680.db2.gz BTMXIVGCGXDCQS-HNNXBMFYSA-N 1 0 459.363 4.870 20 0 JJADRO COc1cccc(OC)c1OCCCC[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC001459423282 1067321412 /nfs/dbraw/zinc/32/14/12/1067321412.db2.gz LZYGXXGTDQYUTD-HSZRJFAPSA-N 1 0 458.986 4.964 20 0 JJADRO C[N@H+](CCN1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)Cc1ccccc1 ZINC001459452601 1067327083 /nfs/dbraw/zinc/32/70/83/1067327083.db2.gz XJYDTXMPULJNOF-UHFFFAOYSA-N 1 0 459.478 4.974 20 0 JJADRO CCS[C@@H]1CCCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)C1 ZINC001459461379 1067329971 /nfs/dbraw/zinc/32/99/71/1067329971.db2.gz DDUVHAHMTLFVDB-ILBGXUMGSA-N 1 0 451.636 4.981 20 0 JJADRO O=C(NCC(F)(F)c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001453882015 1067333867 /nfs/dbraw/zinc/33/38/67/1067333867.db2.gz FVMXIVDFQXXNKU-MRXNPFEDSA-N 1 0 455.318 4.708 20 0 JJADRO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459510682 1067341627 /nfs/dbraw/zinc/34/16/27/1067341627.db2.gz DARJFHJTTSHQBM-ZLNRFVROSA-N 1 0 459.631 4.755 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)[C@@H](O)c2ccccc21 ZINC001459546351 1067348378 /nfs/dbraw/zinc/34/83/78/1067348378.db2.gz WANUUDOIPFUZIT-OUOWLKGYSA-N 1 0 454.542 4.578 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)[C@H](O)c2ccccc21 ZINC001459546354 1067348563 /nfs/dbraw/zinc/34/85/63/1067348563.db2.gz WANUUDOIPFUZIT-RVSNTGDXSA-N 1 0 454.542 4.578 20 0 JJADRO CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459555002 1067350363 /nfs/dbraw/zinc/35/03/63/1067350363.db2.gz BIIQKKQNURAQCK-VQEMNGCCSA-N 1 0 451.611 4.594 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC001459568265 1067354031 /nfs/dbraw/zinc/35/40/31/1067354031.db2.gz FRPVMNBPRSMIOS-IBGZPJMESA-N 1 0 457.640 4.502 20 0 JJADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2c(F)ccc(Br)c2F)CC1 ZINC001459597645 1067360170 /nfs/dbraw/zinc/36/01/70/1067360170.db2.gz YEQMKLNGOUHCJL-UHFFFAOYSA-N 1 0 452.343 4.758 20 0 JJADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cnc(Cc3ccc(F)cc3)s2)CC1 ZINC001459597834 1067360280 /nfs/dbraw/zinc/36/02/80/1067360280.db2.gz ZGWDXHXFPCIMFX-UHFFFAOYSA-N 1 0 452.599 4.903 20 0 JJADRO CCC1(CC)CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546110471 1067362648 /nfs/dbraw/zinc/36/26/48/1067362648.db2.gz AMEYSTUMXRHGDH-GOTSBHOMSA-N 1 0 467.702 4.968 20 0 JJADRO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F ZINC001459611802 1067363653 /nfs/dbraw/zinc/36/36/53/1067363653.db2.gz YHYUYFBBTVGMRJ-MJGOQNOKSA-N 1 0 458.521 4.891 20 0 JJADRO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@H]1c1ccccc1 ZINC001459624076 1067366699 /nfs/dbraw/zinc/36/66/99/1067366699.db2.gz CKWBHBDGVZOWRB-MBOZVWFJSA-N 1 0 459.512 4.895 20 0 JJADRO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@H]1c1ccccc1 ZINC001459624080 1067366976 /nfs/dbraw/zinc/36/69/76/1067366976.db2.gz CKWBHBDGVZOWRB-SQGPQFPESA-N 1 0 459.512 4.895 20 0 JJADRO COc1ccc(C(NC(=O)C[N@@H+]2CCSC3(CCCCC3)C2)c2ccc(OC)cc2)cc1 ZINC001459640417 1067370419 /nfs/dbraw/zinc/37/04/19/1067370419.db2.gz ZWMZWEJPQGDFPI-UHFFFAOYSA-N 1 0 454.636 4.661 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546110804 1067373751 /nfs/dbraw/zinc/37/37/51/1067373751.db2.gz OAJHOKSJTURSOO-BGYRXZFFSA-N 1 0 459.704 4.835 20 0 JJADRO COc1ccc(C[C@@H]2CC[N@@H+]2[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cc1 ZINC001459660627 1067374304 /nfs/dbraw/zinc/37/43/04/1067374304.db2.gz ZJUPVYDXSFJFLZ-UNMCSNQZSA-N 1 0 457.412 4.887 20 0 JJADRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](Cn2cccn2)c2ccccc2)cc1 ZINC001459668584 1067377960 /nfs/dbraw/zinc/37/79/60/1067377960.db2.gz LJDQSUHUWGIHTC-LADGPHEKSA-N 1 0 450.583 4.531 20 0 JJADRO CCC[N@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001459672668 1067379451 /nfs/dbraw/zinc/37/94/51/1067379451.db2.gz BMSQAPTYRUYQJK-UHFFFAOYSA-N 1 0 457.571 4.740 20 0 JJADRO CC[N@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459673759 1067379674 /nfs/dbraw/zinc/37/96/74/1067379674.db2.gz VFRCHFQESJRSFL-TZIWHRDSSA-N 1 0 459.679 4.702 20 0 JJADRO COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2Br)c1 ZINC001459673894 1067379904 /nfs/dbraw/zinc/37/99/04/1067379904.db2.gz VQMKLQAJVBPTON-RPWUZVMVSA-N 1 0 456.380 4.727 20 0 JJADRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1)c1cccc2ccccc21 ZINC001459675959 1067380896 /nfs/dbraw/zinc/38/08/96/1067380896.db2.gz FRYZFMPNVZDIJJ-WOJBJXKFSA-N 1 0 450.627 4.502 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001459685102 1067382940 /nfs/dbraw/zinc/38/29/40/1067382940.db2.gz KSCGQEXEAFYWRX-CGXNFDGLSA-N 1 0 451.652 4.743 20 0 JJADRO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686300 1067383564 /nfs/dbraw/zinc/38/35/64/1067383564.db2.gz NJXPOHIPFDFFQH-FCHUYYIVSA-N 1 0 456.583 4.734 20 0 JJADRO O=C(CC[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC001459692384 1067385472 /nfs/dbraw/zinc/38/54/72/1067385472.db2.gz CEBFWCWJRVULDE-UHFFFAOYSA-N 1 0 457.496 4.716 20 0 JJADRO CC(C)(C)OC(=O)N1CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C2(CCCCC2)C1 ZINC001459699144 1067387786 /nfs/dbraw/zinc/38/77/86/1067387786.db2.gz PNTQSGHDAZXUIQ-HXUWFJFHSA-N 1 0 456.549 4.864 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@@H](C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714269 1067393037 /nfs/dbraw/zinc/39/30/37/1067393037.db2.gz ADDMAIKLBZJECC-PZJWPPBQSA-N 1 0 455.599 4.664 20 0 JJADRO O=C(C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001459715576 1067393470 /nfs/dbraw/zinc/39/34/70/1067393470.db2.gz FJSQMPNZBYCSDN-UHFFFAOYSA-N 1 0 457.372 4.505 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716181 1067393608 /nfs/dbraw/zinc/39/36/08/1067393608.db2.gz UNRZQXLMZBHWBJ-CRAIPNDOSA-N 1 0 458.484 4.553 20 0 JJADRO C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001459722946 1067395923 /nfs/dbraw/zinc/39/59/23/1067395923.db2.gz UDAWZOAXSUDYNQ-RXFWQSSRSA-N 1 0 458.647 4.679 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1ccc(Cl)cc1-n1cncn1 ZINC001459725065 1067396916 /nfs/dbraw/zinc/39/69/16/1067396916.db2.gz GCHXAQORWDACCI-GOSISDBHSA-N 1 0 454.958 4.531 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC001459741453 1067402047 /nfs/dbraw/zinc/40/20/47/1067402047.db2.gz IYOBFAKHWCDWRB-GOSISDBHSA-N 1 0 457.537 4.509 20 0 JJADRO O=C(c1ccc(Br)c(C(F)(F)F)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001459742786 1067402317 /nfs/dbraw/zinc/40/23/17/1067402317.db2.gz RZWXJVWBEKSWSX-CALCHBBNSA-N 1 0 453.302 4.672 20 0 JJADRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1c(C)nn(Cc3ccccc3)c1Cl)CC2 ZINC001459748723 1067405529 /nfs/dbraw/zinc/40/55/29/1067405529.db2.gz SLVJNZVMUAOOFX-UHFFFAOYSA-N 1 0 455.986 4.520 20 0 JJADRO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC001459750311 1067405963 /nfs/dbraw/zinc/40/59/63/1067405963.db2.gz QDDYKWDDLUOUII-UHFFFAOYSA-N 1 0 456.384 4.572 20 0 JJADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(OC)ncc2Br)[C@@H]2CCCC[C@@H]12 ZINC001459758295 1067409870 /nfs/dbraw/zinc/40/98/70/1067409870.db2.gz YBXVDAKBOUOTCS-NQHUSQPMSA-N 1 0 452.437 4.537 20 0 JJADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2[C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)cn1 ZINC001459766906 1067413937 /nfs/dbraw/zinc/41/39/37/1067413937.db2.gz BTWFEDQRGLOOSS-YTFSRNRJSA-N 1 0 458.375 4.999 20 0 JJADRO COc1cc(-c2noc(C[N@H+](CCc3cccc(F)c3)C3CCCC3)n2)cc(OC)c1OC ZINC001459769428 1067414918 /nfs/dbraw/zinc/41/49/18/1067414918.db2.gz HBYVYYKNIFZGJV-UHFFFAOYSA-N 1 0 455.530 4.889 20 0 JJADRO O=C(C[NH+]([C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1cnccn1 ZINC001459781000 1067418298 /nfs/dbraw/zinc/41/82/98/1067418298.db2.gz YZUYRTWCKQVMBV-CAOSSQGBSA-N 1 0 452.443 4.959 20 0 JJADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C)(c3cccc(Br)c3)CC2)c1 ZINC001459782246 1067419027 /nfs/dbraw/zinc/41/90/27/1067419027.db2.gz WLUYGADXTIVIDC-INIZCTEOSA-N 1 0 458.400 4.788 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001459783493 1067419903 /nfs/dbraw/zinc/41/99/03/1067419903.db2.gz BUJNHFDROPULCE-UHFFFAOYSA-N 1 0 454.640 4.634 20 0 JJADRO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C ZINC001459784855 1067420947 /nfs/dbraw/zinc/42/09/47/1067420947.db2.gz GNZKBFIBXFRYAO-RBTNQOKQSA-N 1 0 455.602 4.842 20 0 JJADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@H+](Cc1csc(Br)c1)C1CC1)O2 ZINC001459794668 1067426722 /nfs/dbraw/zinc/42/67/22/1067426722.db2.gz CJNUDTVNJGMIMW-INIZCTEOSA-N 1 0 457.434 4.644 20 0 JJADRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(C(F)(F)F)cc1 ZINC001459816340 1067436058 /nfs/dbraw/zinc/43/60/58/1067436058.db2.gz GJRXLGBXFVBWBV-FQEVSTJZSA-N 1 0 451.880 4.865 20 0 JJADRO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC001459817615 1067436486 /nfs/dbraw/zinc/43/64/86/1067436486.db2.gz MSABXXLSOZFJPB-QHCPKHFHSA-N 1 0 452.982 4.992 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001546112098 1067439225 /nfs/dbraw/zinc/43/92/25/1067439225.db2.gz CTFBMJIOCKULFU-RUZDIDTESA-N 1 0 457.688 4.619 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@H](c2ccccc2C)C2CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459833203 1067444870 /nfs/dbraw/zinc/44/48/70/1067444870.db2.gz JFGCIULODKPBAY-XZOQPEGZSA-N 1 0 453.970 4.560 20 0 JJADRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC001459837065 1067446815 /nfs/dbraw/zinc/44/68/15/1067446815.db2.gz UYQPDTQWRASQNA-JOCHJYFZSA-N 1 0 458.400 4.657 20 0 JJADRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2c(Br)cc(C)cc2Br)c1 ZINC001459837013 1067446916 /nfs/dbraw/zinc/44/69/16/1067446916.db2.gz CYWHVMLFMMYFIV-LBPRGKRZSA-N 1 0 456.178 4.818 20 0 JJADRO CCCCOc1ccc([C@H](C)[NH2+]CCN2c3cccc4cccc(c34)S2(=O)=O)cc1OC ZINC001459840660 1067448145 /nfs/dbraw/zinc/44/81/45/1067448145.db2.gz DRDUQJNPYFRGLS-SFHVURJKSA-N 1 0 454.592 4.887 20 0 JJADRO CC(C)(C)C[C@@H]([NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC001459840985 1067448563 /nfs/dbraw/zinc/44/85/63/1067448563.db2.gz CIRFTLLNVVZUDP-HSZRJFAPSA-N 1 0 456.030 4.959 20 0 JJADRO C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc2c(cc1Br)OCCO2 ZINC001459842698 1067449625 /nfs/dbraw/zinc/44/96/25/1067449625.db2.gz JRIKSJZLEHFSGG-AWEZNQCLSA-N 1 0 455.393 4.518 20 0 JJADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+][C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC001459844364 1067451198 /nfs/dbraw/zinc/45/11/98/1067451198.db2.gz RZFQTKFGTYNKCC-GCURPNFYSA-N 1 0 459.558 4.504 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)c(OC)c1 ZINC001459846325 1067452039 /nfs/dbraw/zinc/45/20/39/1067452039.db2.gz GTFGDNRULJZYNU-AVRDEDQJSA-N 1 0 456.583 4.514 20 0 JJADRO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001459848168 1067453651 /nfs/dbraw/zinc/45/36/51/1067453651.db2.gz GIQICKHFZOWZFK-RUZDIDTESA-N 1 0 458.002 4.623 20 0 JJADRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)cc1OC ZINC001459849278 1067454712 /nfs/dbraw/zinc/45/47/12/1067454712.db2.gz BNGBMBVLNRZSMU-GERBCZOESA-N 1 0 456.583 4.992 20 0 JJADRO O=C1[C@@H]([NH2+][C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CCN1C1CCOCC1 ZINC001459850095 1067455050 /nfs/dbraw/zinc/45/50/50/1067455050.db2.gz NELFJFGBUJAGSZ-VXKWHMMOSA-N 1 0 451.369 4.786 20 0 JJADRO O=C1[C@@H]([NH2+][C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CCN1C1CCOCC1 ZINC001459850093 1067455124 /nfs/dbraw/zinc/45/51/24/1067455124.db2.gz NELFJFGBUJAGSZ-FCHUYYIVSA-N 1 0 451.369 4.786 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1C(F)(F)F ZINC001459850791 1067455531 /nfs/dbraw/zinc/45/55/31/1067455531.db2.gz LMYKHSXQFYUWAR-CVEARBPZSA-N 1 0 459.468 4.906 20 0 JJADRO COc1ccc(C[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](CO)C(C)C)cc1 ZINC001459866722 1067464036 /nfs/dbraw/zinc/46/40/36/1067464036.db2.gz UNUKQSRCADZKAX-HXUWFJFHSA-N 1 0 458.908 4.825 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001459866212 1067464133 /nfs/dbraw/zinc/46/41/33/1067464133.db2.gz FMCPUKQVRJAUOL-LSDHHAIUSA-N 1 0 454.527 4.584 20 0 JJADRO C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC001459866756 1067464138 /nfs/dbraw/zinc/46/41/38/1067464138.db2.gz VKBUBRGEZILHSX-KPZWWZAWSA-N 1 0 457.290 4.994 20 0 JJADRO C[C@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC001459867720 1067464743 /nfs/dbraw/zinc/46/47/43/1067464743.db2.gz LCTRIBBYESUTFB-JTSKRJEESA-N 1 0 459.512 4.674 20 0 JJADRO C[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)c1cccc(N2CCCC2=O)c1 ZINC001459870279 1067466748 /nfs/dbraw/zinc/46/67/48/1067466748.db2.gz YZULBVIKFFMKGS-INIZCTEOSA-N 1 0 451.368 4.884 20 0 JJADRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1ccc(Cl)cc1 ZINC001459870415 1067467357 /nfs/dbraw/zinc/46/73/57/1067467357.db2.gz NRWPGDMZEUGKBM-LLSQANQASA-N 1 0 454.739 4.870 20 0 JJADRO CCOc1ccc(-c2nc(CN[C@@H](C)c3cc(F)ccc3N3CC[NH+](CC)CC3)co2)cc1 ZINC001459873291 1067468395 /nfs/dbraw/zinc/46/83/95/1067468395.db2.gz CCHIRXRQWUSXCV-IBGZPJMESA-N 1 0 452.574 4.872 20 0 JJADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[N@H+](C)CCc1ccc(Cl)cc1 ZINC001459875277 1067469356 /nfs/dbraw/zinc/46/93/56/1067469356.db2.gz RZBIJPCVPOUGCH-HNNXBMFYSA-N 1 0 458.908 4.886 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001546112448 1067472292 /nfs/dbraw/zinc/47/22/92/1067472292.db2.gz RORXBSQBYVYDTQ-FQEVSTJZSA-N 1 0 455.676 4.521 20 0 JJADRO CC(C)c1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC001459887379 1067473654 /nfs/dbraw/zinc/47/36/54/1067473654.db2.gz ATSCQASYTPYEEZ-SANMLTNESA-N 1 0 453.671 4.978 20 0 JJADRO CCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459898437 1067478679 /nfs/dbraw/zinc/47/86/79/1067478679.db2.gz DIAVNFPXMUOBJF-OAQYLSRUSA-N 1 0 455.400 4.519 20 0 JJADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)cnn1C ZINC001459902840 1067480696 /nfs/dbraw/zinc/48/06/96/1067480696.db2.gz AASMNIIWKPLCAH-LJQANCHMSA-N 1 0 456.594 4.994 20 0 JJADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)cnn1C ZINC001459902837 1067480733 /nfs/dbraw/zinc/48/07/33/1067480733.db2.gz AASMNIIWKPLCAH-IBGZPJMESA-N 1 0 456.594 4.994 20 0 JJADRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1 ZINC001459905516 1067482462 /nfs/dbraw/zinc/48/24/62/1067482462.db2.gz RBJTXEFYVNJLSA-HIFRSBDPSA-N 1 0 456.999 4.809 20 0 JJADRO Cc1ccc([C@H](CC(F)(F)F)[NH2+]CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC001459905674 1067483069 /nfs/dbraw/zinc/48/30/69/1067483069.db2.gz LEJJHLVRAXAETA-INIZCTEOSA-N 1 0 453.530 4.646 20 0 JJADRO COc1ccc2oc([C@H](C)[NH2+]CCS(=O)(=O)c3cccc(Br)c3)c(C)c2c1 ZINC001459907132 1067483535 /nfs/dbraw/zinc/48/35/35/1067483535.db2.gz XZXPKMQVBIAKMJ-AWEZNQCLSA-N 1 0 452.370 4.637 20 0 JJADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001459906651 1067483552 /nfs/dbraw/zinc/48/35/52/1067483552.db2.gz VWKVYQCVSFKDLE-QVKFZJNVSA-N 1 0 457.546 4.647 20 0 JJADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459906650 1067483613 /nfs/dbraw/zinc/48/36/13/1067483613.db2.gz VWKVYQCVSFKDLE-BTYIYWSLSA-N 1 0 457.546 4.647 20 0 JJADRO Cc1ccc([C@H](CC(F)(F)F)[NH2+]C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001459908043 1067484078 /nfs/dbraw/zinc/48/40/78/1067484078.db2.gz RZWMOGAYFJRIDN-GMAHTHKFSA-N 1 0 450.501 4.742 20 0 JJADRO COc1ccccc1O[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001459912039 1067486837 /nfs/dbraw/zinc/48/68/37/1067486837.db2.gz QXMLLBSJYASHSF-UBFVSLLYSA-N 1 0 450.623 4.859 20 0 JJADRO CC[C@@H]1CN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001459916557 1067489454 /nfs/dbraw/zinc/48/94/54/1067489454.db2.gz MWSFDZGMZMPVNP-XRKRLSELSA-N 1 0 459.609 4.970 20 0 JJADRO COc1ccccc1C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C(C)C ZINC001459920873 1067491737 /nfs/dbraw/zinc/49/17/37/1067491737.db2.gz GZVFRYCXKASVGX-PKOBYXMFSA-N 1 0 456.808 4.708 20 0 JJADRO OC[C@H]([NH2+]C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 ZINC001459933067 1067497511 /nfs/dbraw/zinc/49/75/11/1067497511.db2.gz QRXJYFPSYVXPHO-GOTSBHOMSA-N 1 0 452.422 4.991 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(Cl)cc1 ZINC001459942161 1067500678 /nfs/dbraw/zinc/50/06/78/1067500678.db2.gz LAHXHADTMLMTIL-LJQANCHMSA-N 1 0 456.940 4.633 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001459944015 1067501574 /nfs/dbraw/zinc/50/15/74/1067501574.db2.gz PCJLQNPFCYGMMI-SANMLTNESA-N 1 0 457.615 4.511 20 0 JJADRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(C(=O)Nc3ccccc3)cc2)cn1 ZINC001459945703 1067502357 /nfs/dbraw/zinc/50/23/57/1067502357.db2.gz SSQRRCRVSSIWHD-HHHXNRCGSA-N 1 0 454.574 4.891 20 0 JJADRO CC(C)N1C(=O)C[C@@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459947649 1067502581 /nfs/dbraw/zinc/50/25/81/1067502581.db2.gz BDILCLLUZKMKIM-SFHLNBCPSA-N 1 0 458.883 4.872 20 0 JJADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC001459948737 1067503385 /nfs/dbraw/zinc/50/33/85/1067503385.db2.gz DXHHDSYKXCUUPF-SMDDNHRTSA-N 1 0 456.178 4.657 20 0 JJADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC001459948733 1067503468 /nfs/dbraw/zinc/50/34/68/1067503468.db2.gz DXHHDSYKXCUUPF-RISCZKNCSA-N 1 0 456.178 4.657 20 0 JJADRO CC(C)[C@@](C)([NH2+]CC(=O)N[C@@H](C)Cc1c(F)cccc1F)c1ccc(Br)cc1 ZINC001459949287 1067504019 /nfs/dbraw/zinc/50/40/19/1067504019.db2.gz KPNDQVIWWXXYLI-OYHNWAKOSA-N 1 0 453.371 4.936 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC001459951345 1067504273 /nfs/dbraw/zinc/50/42/73/1067504273.db2.gz BDMPVCWLASYIGD-IEBWSBKVSA-N 1 0 467.448 4.933 20 0 JJADRO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958658 1067507060 /nfs/dbraw/zinc/50/70/60/1067507060.db2.gz GWPSVIPISRTHDG-MSOLQXFVSA-N 1 0 455.400 4.846 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)cc2)CC1 ZINC001459957327 1067507134 /nfs/dbraw/zinc/50/71/34/1067507134.db2.gz DFDRLSKPMPZGCN-UHFFFAOYSA-N 1 0 459.377 4.582 20 0 JJADRO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[NH2+][C@](C)(CO)c3ccccc3)nc2c1C ZINC001459959307 1067507605 /nfs/dbraw/zinc/50/76/05/1067507605.db2.gz DZEZDGLTCZSHTP-HHHXNRCGSA-N 1 0 459.615 4.944 20 0 JJADRO CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001459961211 1067508327 /nfs/dbraw/zinc/50/83/27/1067508327.db2.gz PLCOQUVCTMLHEL-UHFFFAOYSA-N 1 0 453.970 4.960 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3C[C@@]3(C)c3cccc(Br)c3)cc2)CC1 ZINC001459961072 1067508361 /nfs/dbraw/zinc/50/83/61/1067508361.db2.gz PCQHHFHGFAMFOW-UPVQGACJSA-N 1 0 457.412 4.516 20 0 JJADRO Cc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1NC(=O)OC(C)(C)C ZINC001459964881 1067509586 /nfs/dbraw/zinc/50/95/86/1067509586.db2.gz UENHTUUMWGLRBV-UHFFFAOYSA-N 1 0 453.583 4.745 20 0 JJADRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001459965485 1067510000 /nfs/dbraw/zinc/51/00/00/1067510000.db2.gz IMKBGUJHQYQQBW-FGZHOGPDSA-N 1 0 456.384 4.585 20 0 JJADRO CC[C@@H]([NH2+]CC(=O)Nc1nc2c(cccc2OC)s1)c1cc(F)cc(Br)c1 ZINC001459966252 1067510322 /nfs/dbraw/zinc/51/03/22/1067510322.db2.gz YXOLLBJQKOJLGC-CQSZACIVSA-N 1 0 452.349 4.886 20 0 JJADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)cc2)cc1 ZINC001459967423 1067510436 /nfs/dbraw/zinc/51/04/36/1067510436.db2.gz WSMZJLAWPVKMAS-FQEVSTJZSA-N 1 0 451.489 4.843 20 0 JJADRO O=C(C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001459981771 1067515344 /nfs/dbraw/zinc/51/53/44/1067515344.db2.gz BHZCTSHDDVCGSW-XQBPLPMBSA-N 1 0 459.512 4.684 20 0 JJADRO O=S(=O)(CCC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 ZINC001459989107 1067516671 /nfs/dbraw/zinc/51/66/71/1067516671.db2.gz KTGCAARTZWZGEK-QFIPXVFZSA-N 1 0 459.409 4.582 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+][C@H](C)c2ccc3ncsc3c2)cc1 ZINC001459991060 1067517485 /nfs/dbraw/zinc/51/74/85/1067517485.db2.gz MEQBAQBUUWPAFU-GOSISDBHSA-N 1 0 458.587 4.824 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1 ZINC001459991894 1067518337 /nfs/dbraw/zinc/51/83/37/1067518337.db2.gz HZYCJUDSPAEZSV-NTKDMRAZSA-N 1 0 458.562 4.754 20 0 JJADRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459998012 1067520355 /nfs/dbraw/zinc/52/03/55/1067520355.db2.gz WWHAKOZSYHCQSV-IJEWVQPXSA-N 1 0 452.617 4.541 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)cc1OC ZINC001460002223 1067521950 /nfs/dbraw/zinc/52/19/50/1067521950.db2.gz MPDNWSMHORIVSA-QHCPKHFHSA-N 1 0 458.549 4.600 20 0 JJADRO CC[C@]1(CO)CCC[N@H+](Cc2csc(=Nc3ccc(OC)cc3)n2Cc2ccccc2)C1 ZINC001460000875 1067521988 /nfs/dbraw/zinc/52/19/88/1067521988.db2.gz TUZBMYVLXSHVMJ-SANMLTNESA-N 1 0 451.636 4.823 20 0 JJADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001460005247 1067523564 /nfs/dbraw/zinc/52/35/64/1067523564.db2.gz WCYSHCABTOJLAY-GOSISDBHSA-N 1 0 458.318 4.561 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC001460008999 1067525620 /nfs/dbraw/zinc/52/56/20/1067525620.db2.gz PCBDVTJTXWEAMO-DHLKQENFSA-N 1 0 457.640 4.581 20 0 JJADRO CSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC001460009226 1067525740 /nfs/dbraw/zinc/52/57/40/1067525740.db2.gz XBHOKDXDLCLGSV-OAHLLOKOSA-N 1 0 453.530 4.553 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC001460017013 1067529207 /nfs/dbraw/zinc/52/92/07/1067529207.db2.gz NKJACEHBPKQHEL-HBMCJLEFSA-N 1 0 450.501 4.732 20 0 JJADRO OC1(Cc2ccccc2F)CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC001460030852 1067533987 /nfs/dbraw/zinc/53/39/87/1067533987.db2.gz QGQYILZMJORWGS-UHFFFAOYSA-N 1 0 456.359 4.615 20 0 JJADRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042117 1067536981 /nfs/dbraw/zinc/53/69/81/1067536981.db2.gz RDYPNKHCKMNTLC-JFTIXFDTSA-N 1 0 453.652 4.964 20 0 JJADRO CCCC[C@@](C)([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Br)c1 ZINC001460048754 1067539325 /nfs/dbraw/zinc/53/93/25/1067539325.db2.gz DWDJSWAXTXEKJG-OAQYLSRUSA-N 1 0 453.446 4.895 20 0 JJADRO COC(=O)c1ccc(OC)c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1 ZINC001460055075 1067540334 /nfs/dbraw/zinc/54/03/34/1067540334.db2.gz YALQERKNWIYVRY-GOSISDBHSA-N 1 0 452.576 4.994 20 0 JJADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC001460063306 1067543206 /nfs/dbraw/zinc/54/32/06/1067543206.db2.gz TWMJGWYYVASQFQ-JAUHRSLLSA-N 1 0 457.659 4.755 20 0 JJADRO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2CCOc2cc(F)cc(Br)c2)C1 ZINC001460068154 1067545132 /nfs/dbraw/zinc/54/51/32/1067545132.db2.gz DIPZLIZLNYYEBS-QFBILLFUSA-N 1 0 457.384 4.690 20 0 JJADRO C[C@H]([NH2+]C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(Oc2cccnc2)cc1 ZINC001460072444 1067546073 /nfs/dbraw/zinc/54/60/73/1067546073.db2.gz VWBDPPJFBVFWRW-FPDDQMOCSA-N 1 0 453.583 4.941 20 0 JJADRO CCN(C(=O)C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@H](C)c1ccc(F)cc1 ZINC001460073994 1067546345 /nfs/dbraw/zinc/54/63/45/1067546345.db2.gz VXBKLALPXRXTBP-UZUQRXQVSA-N 1 0 452.492 4.745 20 0 JJADRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460073776 1067546854 /nfs/dbraw/zinc/54/68/54/1067546854.db2.gz SYALRJSEMJCGLF-BOCKYXSRSA-N 1 0 456.549 4.984 20 0 JJADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC001460075298 1067547104 /nfs/dbraw/zinc/54/71/04/1067547104.db2.gz LZBBJTMKVGHPEJ-UHFFFAOYSA-N 1 0 455.755 4.896 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)C(=O)Nc3ccc(Br)cc3)C2)s1 ZINC001460076317 1067547696 /nfs/dbraw/zinc/54/76/96/1067547696.db2.gz SRQNSXXZXUAPDO-IAGOWNOFSA-N 1 0 450.446 4.600 20 0 JJADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC001460077326 1067547987 /nfs/dbraw/zinc/54/79/87/1067547987.db2.gz APTQLFWSBHUPTQ-NTKDMRAZSA-N 1 0 456.652 4.792 20 0 JJADRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001460083687 1067549441 /nfs/dbraw/zinc/54/94/41/1067549441.db2.gz ZOJLJJHPZUGJAS-SFHVURJKSA-N 1 0 457.290 4.776 20 0 JJADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC001460087391 1067550793 /nfs/dbraw/zinc/55/07/93/1067550793.db2.gz ZSITZGICJSPDPF-MHZLTWQESA-N 1 0 455.593 4.591 20 0 JJADRO COc1cc(Br)ccc1CCC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC001460090459 1067551819 /nfs/dbraw/zinc/55/18/19/1067551819.db2.gz OVNDSLNXHRHIEM-LJQANCHMSA-N 1 0 457.206 4.650 20 0 JJADRO O=C(CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1)Nc1cccc(Br)c1 ZINC001460091641 1067552165 /nfs/dbraw/zinc/55/21/65/1067552165.db2.gz BIPYJUDNXHMCPL-GOSISDBHSA-N 1 0 453.178 4.676 20 0 JJADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460104587 1067555834 /nfs/dbraw/zinc/55/58/34/1067555834.db2.gz KSRSUGCEGKUGCA-UXHICEINSA-N 1 0 477.424 4.860 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110519 1067556941 /nfs/dbraw/zinc/55/69/41/1067556941.db2.gz PKKGVOUUVRHCSJ-IRXDYDNUSA-N 1 0 455.521 4.613 20 0 JJADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2OC(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001460115898 1067558446 /nfs/dbraw/zinc/55/84/46/1067558446.db2.gz AYRXIZZTZAOSPQ-HNNXBMFYSA-N 1 0 453.327 4.645 20 0 JJADRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3O)C2)cc1 ZINC001460136799 1067562320 /nfs/dbraw/zinc/56/23/20/1067562320.db2.gz SRAHMYOFOHKAJM-BUUDZMLXSA-N 1 0 452.595 4.807 20 0 JJADRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)c1cn(-c2ccccc2)nn1 ZINC001460137391 1067562785 /nfs/dbraw/zinc/56/27/85/1067562785.db2.gz MUCKQPBAYOPOOY-MRXNPFEDSA-N 1 0 459.363 4.611 20 0 JJADRO O=C(C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC001460143085 1067563892 /nfs/dbraw/zinc/56/38/92/1067563892.db2.gz VKDDQFIZNYGKBO-GMAHTHKFSA-N 1 0 452.492 4.905 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[N@@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)C2)C1 ZINC001460146566 1067564560 /nfs/dbraw/zinc/56/45/60/1067564560.db2.gz YTPGHDVXYJDYKO-GREBRCKQSA-N 1 0 453.048 4.923 20 0 JJADRO COc1cc(NC(=O)CC[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)cc(OC)c1OC ZINC001460145582 1067564594 /nfs/dbraw/zinc/56/45/94/1067564594.db2.gz OYTAONLEDZNEQF-GOSISDBHSA-N 1 0 450.988 4.561 20 0 JJADRO CC[N@H+](Cc1cc(I)cc(I)c1)CC(C)(C)C ZINC001460154086 1067566011 /nfs/dbraw/zinc/56/60/11/1067566011.db2.gz WSEDQXKEVUUYAS-UHFFFAOYSA-N 1 0 457.137 4.764 20 0 JJADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001460150581 1067565748 /nfs/dbraw/zinc/56/57/48/1067565748.db2.gz INIWUZWJPIEPPG-QPPBQGQZSA-N 1 0 456.355 4.976 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155693 1067566591 /nfs/dbraw/zinc/56/65/91/1067566591.db2.gz AWHHSHIFNXPCNC-SJORKVTESA-N 1 0 453.986 4.777 20 0 JJADRO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460155827 1067566604 /nfs/dbraw/zinc/56/66/04/1067566604.db2.gz BRMILBCSABPLIP-HBMCJLEFSA-N 1 0 459.631 4.771 20 0 JJADRO CCOC(=O)[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460160027 1067567123 /nfs/dbraw/zinc/56/71/23/1067567123.db2.gz UJEPXXQBQNGEBZ-HJOGWXRNSA-N 1 0 458.643 4.910 20 0 JJADRO Cc1ccccc1C[N@@H+](Cc1ccccn1)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158467 1067567208 /nfs/dbraw/zinc/56/72/08/1067567208.db2.gz PNCLIJVCEDLHJM-SHQCIBLASA-N 1 0 451.611 4.808 20 0 JJADRO CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460160991 1067567605 /nfs/dbraw/zinc/56/76/05/1067567605.db2.gz ZDLJMYSTVVODTO-NHCUHLMSSA-N 1 0 459.631 4.773 20 0 JJADRO CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460160990 1067567737 /nfs/dbraw/zinc/56/77/37/1067567737.db2.gz ZDLJMYSTVVODTO-LEWJYISDSA-N 1 0 459.631 4.773 20 0 JJADRO C[N@H+](CCc1cccc(Br)c1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001460168737 1067568834 /nfs/dbraw/zinc/56/88/34/1067568834.db2.gz FJKRVEGTTYWCOK-SFHVURJKSA-N 1 0 452.190 4.639 20 0 JJADRO CCc1cc2c(C[N@@H+]3CCCC[C@H]3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1O ZINC001460171010 1067569663 /nfs/dbraw/zinc/56/96/63/1067569663.db2.gz ABQAWVZDGHZYRI-NQIIRXRSSA-N 1 0 456.583 4.673 20 0 JJADRO CCc1cc2c(C[N@@H+]3CCCC[C@H]3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1O ZINC001460171021 1067569789 /nfs/dbraw/zinc/56/97/89/1067569789.db2.gz ABQAWVZDGHZYRI-RXVVDRJESA-N 1 0 456.583 4.673 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460173332 1067570240 /nfs/dbraw/zinc/57/02/40/1067570240.db2.gz HUQRGPABYKADLS-DOIPELPJSA-N 1 0 451.652 4.791 20 0 JJADRO C[C@@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC001460180425 1067572325 /nfs/dbraw/zinc/57/23/25/1067572325.db2.gz SQXBKUPMOHEODU-HXUWFJFHSA-N 1 0 451.586 4.621 20 0 JJADRO CC(C)(C)OC(=O)NCCC[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccccc1 ZINC001460184124 1067573698 /nfs/dbraw/zinc/57/36/98/1067573698.db2.gz ITRLVIJJBGOTAO-VWLOTQADSA-N 1 0 453.627 4.655 20 0 JJADRO O=C(CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC001460183714 1067573963 /nfs/dbraw/zinc/57/39/63/1067573963.db2.gz VDXYHTFTAIBHMR-GDLZYMKVSA-N 1 0 456.586 4.563 20 0 JJADRO CC(=O)Nc1ccc2c(C[NH2+]C(C)(C)Cc3ccc(Br)c(C)c3)cc(=O)oc2c1 ZINC001460191119 1067575250 /nfs/dbraw/zinc/57/52/50/1067575250.db2.gz UYTYQZUZHSEDIC-UHFFFAOYSA-N 1 0 457.368 4.933 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001460195929 1067576434 /nfs/dbraw/zinc/57/64/34/1067576434.db2.gz GDEXZRITMQACBP-MYGLTJDJSA-N 1 0 450.570 4.820 20 0 JJADRO C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460206509 1067578829 /nfs/dbraw/zinc/57/88/29/1067578829.db2.gz SHNBTDXPWIJORQ-GMAHTHKFSA-N 1 0 451.611 4.703 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001460214600 1067581043 /nfs/dbraw/zinc/58/10/43/1067581043.db2.gz WNYOSNDNVCHPKH-UHFFFAOYSA-N 1 0 453.892 4.712 20 0 JJADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001460217166 1067581709 /nfs/dbraw/zinc/58/17/09/1067581709.db2.gz XPKPXNFCKAXOGO-REWPJTCUSA-N 1 0 458.647 4.583 20 0 JJADRO COc1cccc(-c2nnc(C[N@@H+]3CCCC[C@H]3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217066 1067581805 /nfs/dbraw/zinc/58/18/05/1067581805.db2.gz WYFFXUTWSBSHNO-FPOVZHCZSA-N 1 0 456.587 4.747 20 0 JJADRO CCCC[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)Nc1cc(C)on1 ZINC001460222215 1067583482 /nfs/dbraw/zinc/58/34/82/1067583482.db2.gz QQVMMCQHTKBFPU-ISJGIBHGSA-N 1 0 464.585 4.877 20 0 JJADRO O[C@@H]1CC[N@H+](CCCOc2c(Br)cccc2Br)C[C@H]1C1CCCC1 ZINC001460223564 1067583528 /nfs/dbraw/zinc/58/35/28/1067583528.db2.gz CDPXOPWSRGEUMU-MAUKXSAKSA-N 1 0 461.238 4.854 20 0 JJADRO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH2+][C@@H](C)C2CCCC2)CCCC3)cc1 ZINC001460223730 1067583541 /nfs/dbraw/zinc/58/35/41/1067583541.db2.gz CJCJNNHDJAGXLS-INIZCTEOSA-N 1 0 455.624 4.995 20 0 JJADRO COc1cccc([C@H]2C[C@H]([N@H+](C)C[C@@H](O)COc3ccc(Cl)cc3Br)C2)c1 ZINC001460230414 1067584936 /nfs/dbraw/zinc/58/49/36/1067584936.db2.gz MBSUYNCBWWYBBQ-KBAYOESNSA-N 1 0 454.792 4.729 20 0 JJADRO O=C(C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)N[C@@H](c1ccccc1)C1CCCC1 ZINC001460234503 1067586575 /nfs/dbraw/zinc/58/65/75/1067586575.db2.gz JUMLPNNACQTATL-ARNLJNQMSA-N 1 0 459.556 4.654 20 0 JJADRO COc1ccc([C@H](O)C[N@H+](CC(=O)Nc2cccc(Cl)c2)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238420 1067587722 /nfs/dbraw/zinc/58/77/22/1067587722.db2.gz DGZVLDSVZACTKP-UQBPGWFLSA-N 1 0 452.982 4.954 20 0 JJADRO COc1ccc([C@@H](O)C[N@H+](CC(=O)Nc2cccc(Cl)c2)[C@H](C)Cc2ccccc2)cc1 ZINC001460238398 1067587792 /nfs/dbraw/zinc/58/77/92/1067587792.db2.gz DGZVLDSVZACTKP-CLOONOSVSA-N 1 0 452.982 4.954 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC001460238798 1067588267 /nfs/dbraw/zinc/58/82/67/1067588267.db2.gz DUNJYGIZTSQTCH-DYESRHJHSA-N 1 0 456.986 4.642 20 0 JJADRO COc1cc(Br)ccc1CCC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC001460240127 1067588512 /nfs/dbraw/zinc/58/85/12/1067588512.db2.gz WXDUZUQGCDQYPA-SFHVURJKSA-N 1 0 457.206 4.818 20 0 JJADRO CC(C)c1sc(NC(=O)C[N@H+](C)C2CCN(CC(F)(F)F)CC2)nc1-c1ccccc1 ZINC001460240007 1067588722 /nfs/dbraw/zinc/58/87/22/1067588722.db2.gz QMTRHAUITHZQQY-UHFFFAOYSA-N 1 0 454.562 4.831 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001460244013 1067589885 /nfs/dbraw/zinc/58/98/85/1067589885.db2.gz WYCKWAFRJZKXLQ-GXKRZCMTSA-N 1 0 477.621 4.812 20 0 JJADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001460274278 1067595763 /nfs/dbraw/zinc/59/57/63/1067595763.db2.gz XCNRRTJEVQRXPP-JKBKZWBZSA-N 1 0 457.615 4.823 20 0 JJADRO C[C@H]1CC2(C[N@@H+]1C[C@@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279172 1067596512 /nfs/dbraw/zinc/59/65/12/1067596512.db2.gz YCQSPBDXJZFBDT-QFBILLFUSA-N 1 0 453.421 4.594 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCS1 ZINC001546115289 1067599963 /nfs/dbraw/zinc/59/99/63/1067599963.db2.gz YWUQTDPDUNHORH-QFIPXVFZSA-N 1 0 492.133 4.947 20 0 JJADRO CC(C)(C)OC(=O)CC[N@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C1CCOCC1 ZINC001460305097 1067603272 /nfs/dbraw/zinc/60/32/72/1067603272.db2.gz NCMXNSVEVXGACH-UHFFFAOYSA-N 1 0 456.370 4.756 20 0 JJADRO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1C ZINC001460308079 1067604249 /nfs/dbraw/zinc/60/42/49/1067604249.db2.gz MQCQTKHJUDWUEI-KNKQGSTJSA-N 1 0 455.599 4.723 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317544 1067606354 /nfs/dbraw/zinc/60/63/54/1067606354.db2.gz LQGMPGSYHFWYAO-TYCQWZJGSA-N 1 0 456.986 4.785 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2F)C1 ZINC001460319348 1067607302 /nfs/dbraw/zinc/60/73/02/1067607302.db2.gz VSUPHYVFYDPHCA-YZGWKJHDSA-N 1 0 456.599 4.984 20 0 JJADRO Cc1cc(C)n(-c2ccc(C(=O)N3CC[N@@H+](CCCc4ccccc4)C[C@@H]3CC(C)C)cn2)n1 ZINC001460322471 1067608084 /nfs/dbraw/zinc/60/80/84/1067608084.db2.gz BOGKVIBJVUWPNE-SANMLTNESA-N 1 0 459.638 4.689 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC001460325978 1067608544 /nfs/dbraw/zinc/60/85/44/1067608544.db2.gz PVISODMUVTZZPG-VWLOTQADSA-N 1 0 450.623 4.582 20 0 JJADRO C[C@H]1C[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCc2ccc(Cl)cc21 ZINC001460338414 1067611491 /nfs/dbraw/zinc/61/14/91/1067611491.db2.gz MJGBWKGMXFFUNG-NWVWQQAFSA-N 1 0 459.030 4.799 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@@H](C[NH+]2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001460356195 1067616474 /nfs/dbraw/zinc/61/64/74/1067616474.db2.gz NGGRTXYUUOVHQH-SFHVURJKSA-N 1 0 452.437 4.608 20 0 JJADRO O=C(CN1CCCC[C@H]1Cc1ccccc1F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356337 1067616492 /nfs/dbraw/zinc/61/64/92/1067616492.db2.gz KTEIWQAZNQGKCR-SQJMNOBHSA-N 1 0 458.021 4.829 20 0 JJADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001460356987 1067616867 /nfs/dbraw/zinc/61/68/67/1067616867.db2.gz UDNUPTBCAZMSTH-GHTZIAJQSA-N 1 0 455.624 4.535 20 0 JJADRO COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001460358761 1067617372 /nfs/dbraw/zinc/61/73/72/1067617372.db2.gz GVCGXFMURWQRBZ-VWNXMTODSA-N 1 0 458.643 4.898 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360603 1067617854 /nfs/dbraw/zinc/61/78/54/1067617854.db2.gz CWMKWJSCJYESRH-UEXGIBASSA-N 1 0 459.562 4.765 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2CCS[C@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362369 1067618446 /nfs/dbraw/zinc/61/84/46/1067618446.db2.gz OWSONFACWFNPFA-DQEYMECFSA-N 1 0 452.645 4.805 20 0 JJADRO CCc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@H]32)c2cccs2)cc1 ZINC001460368410 1067620027 /nfs/dbraw/zinc/62/00/27/1067620027.db2.gz XXGSVCXIABOYNP-FUCAVZNHSA-N 1 0 454.636 4.570 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@H]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC001460390882 1067624580 /nfs/dbraw/zinc/62/45/80/1067624580.db2.gz NZHLDMFLPGYKCX-WVUKTNKESA-N 1 0 450.595 4.721 20 0 JJADRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001460391281 1067624907 /nfs/dbraw/zinc/62/49/07/1067624907.db2.gz QCOLJBBTNPWVHB-DHIUTWEWSA-N 1 0 471.573 4.546 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@H](O)c2cccc(C)c2)cc1 ZINC001460391271 1067624984 /nfs/dbraw/zinc/62/49/84/1067624984.db2.gz POTOLBHHTIKXHR-SDHOMARFSA-N 1 0 454.611 4.810 20 0 JJADRO COC(=O)c1ccc(F)c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)c1 ZINC001460394879 1067625737 /nfs/dbraw/zinc/62/57/37/1067625737.db2.gz ZBRUOWLSTZLPEG-GMAHTHKFSA-N 1 0 472.557 4.504 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC001460395307 1067626027 /nfs/dbraw/zinc/62/60/27/1067626027.db2.gz WMZXDWYKUPELMY-ZTTFOMCMSA-N 1 0 476.511 4.627 20 0 JJADRO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CCC[C@]3(C)Cc3ccccc3Cl)cc2)C[C@@H](C)O1 ZINC001460404171 1067627672 /nfs/dbraw/zinc/62/76/72/1067627672.db2.gz NEGRECBEWPAIFM-XMERXJNXSA-N 1 0 456.030 4.989 20 0 JJADRO CC(C)[C@@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001460428477 1067633119 /nfs/dbraw/zinc/63/31/19/1067633119.db2.gz GXSWQJKCNABOQR-PKTZIBPZSA-N 1 0 456.428 4.545 20 0 JJADRO CC(C)[C@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001460428480 1067633220 /nfs/dbraw/zinc/63/32/20/1067633220.db2.gz GXSWQJKCNABOQR-XZOQPEGZSA-N 1 0 456.428 4.545 20 0 JJADRO O=C(Nc1nc(CC(F)(F)F)cs1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001460433614 1067633974 /nfs/dbraw/zinc/63/39/74/1067633974.db2.gz HVLGDNVYXAUCHV-HZPDHXFCSA-N 1 0 452.527 4.559 20 0 JJADRO CC[N@H+](C/C=C\c1ccc(Cl)cc1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460441952 1067635703 /nfs/dbraw/zinc/63/57/03/1067635703.db2.gz DHCUEQCGGQQNRX-QULHZPMSSA-N 1 0 450.023 4.533 20 0 JJADRO Ic1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CCCCO4)C3)co2)cc1 ZINC001460452095 1067637009 /nfs/dbraw/zinc/63/70/09/1067637009.db2.gz KRTFPEDMQDZFDD-QFBILLFUSA-N 1 0 452.336 4.727 20 0 JJADRO COc1ccc(N=c2scc(C[N@@H+]3CC[C@H](C)[C@H](CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001460501907 1067645735 /nfs/dbraw/zinc/64/57/35/1067645735.db2.gz FCOXTJAQTFUPRP-ONTIZHBOSA-N 1 0 451.636 4.850 20 0 JJADRO CC(C)[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)[C@@H](O)c1ccc(Cl)cc1 ZINC001460525525 1067650189 /nfs/dbraw/zinc/65/01/89/1067650189.db2.gz JUJUPCSDSOVPOI-UFYCRDLUSA-N 1 0 451.792 4.704 20 0 JJADRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC001460526032 1067650214 /nfs/dbraw/zinc/65/02/14/1067650214.db2.gz MEJIFXJTMDFAKO-KNXBSLHKSA-N 1 0 453.410 4.567 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](C[C@H]3CCC4(CCCCCC4)O3)CC2)C1 ZINC001460564868 1067657159 /nfs/dbraw/zinc/65/71/59/1067657159.db2.gz IJTCWZCWPRYISF-XZOQPEGZSA-N 1 0 450.664 4.996 20 0 JJADRO CO[C@H](C[NH+]1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 ZINC001460569206 1067657604 /nfs/dbraw/zinc/65/76/04/1067657604.db2.gz RLDDTOGOIJZKIJ-FCHUYYIVSA-N 1 0 453.023 4.766 20 0 JJADRO CC[C@@](C)([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1 ZINC001460598576 1067665980 /nfs/dbraw/zinc/66/59/80/1067665980.db2.gz NQNCSLKBKAKOFN-JOCHJYFZSA-N 1 0 453.480 4.535 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@@](C)(CC)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460600648 1067667161 /nfs/dbraw/zinc/66/71/61/1067667161.db2.gz FUWYTBJGFLCVKY-URXFXBBRSA-N 1 0 459.949 4.565 20 0 JJADRO CC(C)(C)OC(=O)NCCCCCC[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001460631790 1067679043 /nfs/dbraw/zinc/67/90/43/1067679043.db2.gz VSZRKWYAGFVFQV-UHFFFAOYSA-N 1 0 453.693 4.895 20 0 JJADRO CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001460634508 1067680036 /nfs/dbraw/zinc/68/00/36/1067680036.db2.gz DFIDBMFEMVRFOL-XMMPIXPASA-N 1 0 450.957 4.943 20 0 JJADRO CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001460634507 1067680277 /nfs/dbraw/zinc/68/02/77/1067680277.db2.gz DFIDBMFEMVRFOL-DEOSSOPVSA-N 1 0 450.957 4.943 20 0 JJADRO CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CC[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC001460636938 1067680516 /nfs/dbraw/zinc/68/05/16/1067680516.db2.gz LBBIHSRPJSXJRZ-AUSIDOKSSA-N 1 0 459.556 4.916 20 0 JJADRO Cc1cc(NC(=O)CN2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)ccc1Br ZINC001460644461 1067684035 /nfs/dbraw/zinc/68/40/35/1067684035.db2.gz TXRNRXVBOALNHW-PSWAGMNNSA-N 1 0 456.428 4.540 20 0 JJADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC001460645041 1067684077 /nfs/dbraw/zinc/68/40/77/1067684077.db2.gz NDVCSMBCQXYURQ-JOCHJYFZSA-N 1 0 451.464 4.839 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2CCC[C@H](OC3CCC3)CC2)c2ccccc2)cc1 ZINC001460654459 1067688894 /nfs/dbraw/zinc/68/88/94/1067688894.db2.gz VXOSNNRQKNUDDV-AZGAKELHSA-N 1 0 456.652 4.828 20 0 JJADRO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001460659424 1067691545 /nfs/dbraw/zinc/69/15/45/1067691545.db2.gz HQPXIRFDOREJIS-GJZUVCINSA-N 1 0 451.588 4.623 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC001460664415 1067693057 /nfs/dbraw/zinc/69/30/57/1067693057.db2.gz IJVODHIMIXNREA-QFBILLFUSA-N 1 0 455.521 4.755 20 0 JJADRO CC[C@H]([NH2+]CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)c1cccc(OC)c1OC ZINC001460666135 1067693501 /nfs/dbraw/zinc/69/35/01/1067693501.db2.gz VOBQBTCONHIYIA-FQEVSTJZSA-N 1 0 451.592 4.766 20 0 JJADRO COc1ncc(Br)cc1CN1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001460673020 1067695540 /nfs/dbraw/zinc/69/55/40/1067695540.db2.gz ADMDRXBSSXASPM-NRFANRHFSA-N 1 0 456.425 4.616 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[N@@H+](CC[C@H]1Sc3ccccc3NC1=O)C2 ZINC001460675762 1067697062 /nfs/dbraw/zinc/69/70/62/1067697062.db2.gz QHUIBWGXVRNNNE-OAQYLSRUSA-N 1 0 455.580 4.731 20 0 JJADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC001460682698 1067700730 /nfs/dbraw/zinc/70/07/30/1067700730.db2.gz ZLRXNQCKMJFRLS-FPOVZHCZSA-N 1 0 457.412 4.734 20 0 JJADRO CCCc1ccc(-c2csc(NC(=O)CN3CC[NH+](CCCOC(C)(C)C)CC3)n2)cc1 ZINC001460697122 1067703892 /nfs/dbraw/zinc/70/38/92/1067703892.db2.gz URPVYWLIFKJEHU-UHFFFAOYSA-N 1 0 458.672 4.524 20 0 JJADRO CN(C)c1nc2c(s1)C[N@H+](C[C@H](O)c1ccc(-c3ccc(Br)cc3)cc1)CC2 ZINC001460711464 1067706756 /nfs/dbraw/zinc/70/67/56/1067706756.db2.gz DOXYQVKGQMWPBE-FQEVSTJZSA-N 1 0 458.425 4.730 20 0 JJADRO CN(CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1 ZINC001460718365 1067708423 /nfs/dbraw/zinc/70/84/23/1067708423.db2.gz LOGHKRBTCBOTNX-UHFFFAOYSA-N 1 0 454.373 4.567 20 0 JJADRO COc1cccc([C@H]2CC[N@H+](CC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460720009 1067708889 /nfs/dbraw/zinc/70/88/89/1067708889.db2.gz QBRIRUFLIXLMLJ-PKTZIBPZSA-N 1 0 452.595 4.644 20 0 JJADRO C[C@](O)(CN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(Br)cc1Cl ZINC001460747071 1067715057 /nfs/dbraw/zinc/71/50/57/1067715057.db2.gz LILVAYBFHBEHAG-LEOXJPRUSA-N 1 0 463.847 4.764 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750838 1067715476 /nfs/dbraw/zinc/71/54/76/1067715476.db2.gz WVLZGCRETKRQAV-OFNKIYASSA-N 1 0 453.631 4.953 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC001460751845 1067715995 /nfs/dbraw/zinc/71/59/95/1067715995.db2.gz RCGKFXVNWYLYBY-AKIFATBCSA-N 1 0 450.664 4.900 20 0 JJADRO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C3)c2cc1C ZINC001460750878 1067716006 /nfs/dbraw/zinc/71/60/06/1067716006.db2.gz XNBLIIBUTMSTPN-FUHWJXTLSA-N 1 0 454.489 4.545 20 0 JJADRO O=C(COc1ccc(F)cc1Cl)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460765614 1067719881 /nfs/dbraw/zinc/71/98/81/1067719881.db2.gz QQTOTRNQQVQYHK-JTHBVZDNSA-N 1 0 456.920 4.781 20 0 JJADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774182 1067721129 /nfs/dbraw/zinc/72/11/29/1067721129.db2.gz GPUUFLWMQJMDEM-IFMALSPDSA-N 1 0 479.621 4.729 20 0 JJADRO COC(=O)C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C[C@H]1C ZINC001460785613 1067723379 /nfs/dbraw/zinc/72/33/79/1067723379.db2.gz GFIFXIJWUPKASO-IEBWSBKVSA-N 1 0 468.395 4.933 20 0 JJADRO COc1cc(OC)c(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)cc1Cl ZINC001460796379 1067725316 /nfs/dbraw/zinc/72/53/16/1067725316.db2.gz HCJQMFYUISSOJY-CQSZACIVSA-N 1 0 450.004 4.511 20 0 JJADRO COc1cc2c(cc1OC)C1(CCC1)[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)CC2 ZINC001460796981 1067725336 /nfs/dbraw/zinc/72/53/36/1067725336.db2.gz ZBBROJFYLYJCCY-UHFFFAOYSA-N 1 0 453.579 4.975 20 0 JJADRO C[N@@H+](Cc1cc(F)ccc1Oc1ccc(Br)cc1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC001460800022 1067726522 /nfs/dbraw/zinc/72/65/22/1067726522.db2.gz HEXYYFSZPSVWMR-DENIHFKCSA-N 1 0 452.364 4.724 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460822399 1067729636 /nfs/dbraw/zinc/72/96/36/1067729636.db2.gz SXJWJNICGIKGSQ-PGRDOPGGSA-N 1 0 459.414 4.599 20 0 JJADRO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CCS1 ZINC001546119447 1067732982 /nfs/dbraw/zinc/73/29/82/1067732982.db2.gz CWAFTUICZINYJS-CPJSRVTESA-N 1 0 487.762 4.762 20 0 JJADRO COCc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001460848401 1067734200 /nfs/dbraw/zinc/73/42/00/1067734200.db2.gz XLCPYBOSSQXJSX-UHFFFAOYSA-N 1 0 452.595 4.997 20 0 JJADRO Cc1nccn1CCCC[N@@H+]1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460847103 1067734260 /nfs/dbraw/zinc/73/42/60/1067734260.db2.gz WEKYECQWBVTNDP-UHFFFAOYSA-N 1 0 454.615 4.636 20 0 JJADRO CN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001460856098 1067735550 /nfs/dbraw/zinc/73/55/50/1067735550.db2.gz RAHNVNXEDJTZBS-UHFFFAOYSA-N 1 0 451.967 4.943 20 0 JJADRO CCC1(CC)CN(c2nnc(CCc3ccccc3)n2C[C@H](C)C[NH+]2CCCC2)CCS1 ZINC001546119659 1067736457 /nfs/dbraw/zinc/73/64/57/1067736457.db2.gz LFAIDLIKTQKMLY-JOCHJYFZSA-N 1 0 455.716 4.907 20 0 JJADRO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[N@@H+](Cc1ccccc1)C[C@H](CC(C)C)OC ZINC001460862745 1067736686 /nfs/dbraw/zinc/73/66/86/1067736686.db2.gz ICKVYCHNBGEPJR-VXNXHJTFSA-N 1 0 476.658 4.738 20 0 JJADRO CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c(C(=O)OC(C)(C)C)c1C ZINC001460866146 1067737597 /nfs/dbraw/zinc/73/75/97/1067737597.db2.gz KBWDBKUWIIBNQI-ROUUACIJSA-N 1 0 476.639 4.638 20 0 JJADRO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)cc1 ZINC001460870871 1067739074 /nfs/dbraw/zinc/73/90/74/1067739074.db2.gz IILUHOXDTZGMBS-QFIPXVFZSA-N 1 0 459.428 4.602 20 0 JJADRO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460878921 1067740946 /nfs/dbraw/zinc/74/09/46/1067740946.db2.gz HQQJGBBCZMEFGO-ZRGWGRIASA-N 1 0 456.414 4.581 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCS1 ZINC001546119839 1067741783 /nfs/dbraw/zinc/74/17/83/1067741783.db2.gz SCIXAYNUGUQZPJ-OAQYLSRUSA-N 1 0 470.731 4.886 20 0 JJADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001460884591 1067742308 /nfs/dbraw/zinc/74/23/08/1067742308.db2.gz ZKVXEMOPIFXAAP-WMZOPIPTSA-N 1 0 455.437 4.873 20 0 JJADRO Cc1ccc(C)c(C2CC[NH+](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)c1 ZINC001460895610 1067745081 /nfs/dbraw/zinc/74/50/81/1067745081.db2.gz KMJNJEUYOFICQK-UIOOFZCWSA-N 1 0 452.639 4.980 20 0 JJADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@H](C)c2csc3ccccc32)ccc1C ZINC001460913888 1067747026 /nfs/dbraw/zinc/74/70/26/1067747026.db2.gz JNPBFRAJZFNAEW-QGZVFWFLSA-N 1 0 459.637 4.530 20 0 JJADRO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH2+][C@@H](C)Cc1cccnc1 ZINC001460928569 1067749898 /nfs/dbraw/zinc/74/98/98/1067749898.db2.gz HCLUCXUFSHTMAT-HNNXBMFYSA-N 1 0 457.983 4.800 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(OCc3ccc(Br)cc3)CC2)C1 ZINC001460976381 1067755630 /nfs/dbraw/zinc/75/56/30/1067755630.db2.gz SMZYHWNYTQCMBX-SFHVURJKSA-N 1 0 453.421 4.687 20 0 JJADRO CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989521 1067758441 /nfs/dbraw/zinc/75/84/41/1067758441.db2.gz WWIDBGXIGHBQJW-NVXWUHKLSA-N 1 0 458.430 4.892 20 0 JJADRO CC[N@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989544 1067758576 /nfs/dbraw/zinc/75/85/76/1067758576.db2.gz XFRNZAAALKQSTF-IBGZPJMESA-N 1 0 458.430 4.673 20 0 JJADRO CC(C)c1nn(C)c(Cl)c1C[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001461031241 1067765433 /nfs/dbraw/zinc/76/54/33/1067765433.db2.gz XPCOYEWUCQFTQR-UHFFFAOYSA-N 1 0 457.972 4.518 20 0 JJADRO CCOCCOCc1cccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001461043744 1067768619 /nfs/dbraw/zinc/76/86/19/1067768619.db2.gz VNBQRKIULYLZIG-UHFFFAOYSA-N 1 0 454.611 4.823 20 0 JJADRO C[C@H]1CN([C@@H](C[NH2+]Cc2cc(Br)ccc2F)c2c(F)cccc2Cl)CCO1 ZINC001461053123 1067770761 /nfs/dbraw/zinc/77/07/61/1067770761.db2.gz ZZLPVJWPJTYUTJ-DJJJIMSYSA-N 1 0 459.762 4.932 20 0 JJADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3ccc(-c4ccncc4)cc3F)cc2)C1 ZINC001461061266 1067773194 /nfs/dbraw/zinc/77/31/94/1067773194.db2.gz FMKPFTCXYUUIIZ-IBGZPJMESA-N 1 0 453.583 4.598 20 0 JJADRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1Cl)NC(=O)OC(C)(C)C ZINC001461065466 1067774550 /nfs/dbraw/zinc/77/45/50/1067774550.db2.gz HJDJTPANKNYELY-KRWDZBQOSA-N 1 0 450.963 4.721 20 0 JJADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001461090113 1067780291 /nfs/dbraw/zinc/78/02/91/1067780291.db2.gz WMWMAPBNOFHXLG-UGKGYDQZSA-N 1 0 459.631 4.710 20 0 JJADRO Brc1ccc(-n2cc(C[NH2+]CCOc3cccc(Br)c3)cn2)cc1 ZINC001461091572 1067780314 /nfs/dbraw/zinc/78/03/14/1067780314.db2.gz LOIVNJOGUGZXBS-UHFFFAOYSA-N 1 0 451.162 4.566 20 0 JJADRO O[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)c1ccccc1C(F)(F)F ZINC001461121849 1067785262 /nfs/dbraw/zinc/78/52/62/1067785262.db2.gz QTSOLSNSXUWOAU-FQEVSTJZSA-N 1 0 457.334 4.756 20 0 JJADRO Clc1sc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1Br ZINC001461128569 1067786715 /nfs/dbraw/zinc/78/67/15/1067786715.db2.gz IIUYDNGPLKQAQN-MRXNPFEDSA-N 1 0 450.229 4.981 20 0 JJADRO Cc1ccccc1COc1c(C)cc(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1C ZINC001461133609 1067787329 /nfs/dbraw/zinc/78/73/29/1067787329.db2.gz NHFQPGOKOJNWDO-NDEPHWFRSA-N 1 0 457.574 4.535 20 0 JJADRO CC[C@@H](C)[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146098 1067789223 /nfs/dbraw/zinc/78/92/23/1067789223.db2.gz AUTBRPKNVJAXSS-MZNJEOGPSA-N 1 0 450.558 4.823 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)C1 ZINC001461151571 1067789817 /nfs/dbraw/zinc/78/98/17/1067789817.db2.gz UUKICBGFHRGNEE-FIXSFTCYSA-N 1 0 453.631 4.741 20 0 JJADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)s1 ZINC001461162622 1067791397 /nfs/dbraw/zinc/79/13/97/1067791397.db2.gz VPEWSEVDNKBZJQ-UHFFFAOYSA-N 1 0 450.601 4.818 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC001461170853 1067792453 /nfs/dbraw/zinc/79/24/53/1067792453.db2.gz PDPDWQCXTXHXOY-CQSZACIVSA-N 1 0 455.422 4.780 20 0 JJADRO Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001461177627 1067793015 /nfs/dbraw/zinc/79/30/15/1067793015.db2.gz KRKPKMLRCSHDFY-XMMPIXPASA-N 1 0 456.993 4.915 20 0 JJADRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001461179265 1067793371 /nfs/dbraw/zinc/79/33/71/1067793371.db2.gz IJZQVBHWXAPNLN-SDXDJHTJSA-N 1 0 450.551 4.656 20 0 JJADRO CN(C)C(=O)C1(C[NH2+]Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)CCCC1 ZINC001461196596 1067797566 /nfs/dbraw/zinc/79/75/66/1067797566.db2.gz HXBUCHNWQVJXDH-UHFFFAOYSA-N 1 0 451.014 4.990 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ncc(Br)cc2Br)CC1 ZINC001461205849 1067799393 /nfs/dbraw/zinc/79/93/93/1067799393.db2.gz XUVCXESUEXAIJT-CQSZACIVSA-N 1 0 453.222 4.922 20 0 JJADRO OC[C@H]([NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)C1CC1 ZINC001461214117 1067800585 /nfs/dbraw/zinc/80/05/85/1067800585.db2.gz JBIOIKPLIQSBNY-SFHVURJKSA-N 1 0 455.190 4.651 20 0 JJADRO FC(F)(F)CCN1CCC([NH2+]CCSCCOc2cccc(Br)c2)CC1 ZINC001461217474 1067801651 /nfs/dbraw/zinc/80/16/51/1067801651.db2.gz GDPIUUXWTFPFBS-UHFFFAOYSA-N 1 0 455.384 4.568 20 0 JJADRO COc1cccc(CNCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1OC(C)C ZINC001461222568 1067803039 /nfs/dbraw/zinc/80/30/39/1067803039.db2.gz NEAVJKBHBZJCOI-UHFFFAOYSA-N 1 0 451.533 4.543 20 0 JJADRO Fc1ccc(-c2nc3ccc(C(F)(F)F)cn3c2C[NH2+]CCCOC2CCOCC2)cc1 ZINC001461231954 1067805339 /nfs/dbraw/zinc/80/53/39/1067805339.db2.gz JESBEKNPSUQJEH-UHFFFAOYSA-N 1 0 451.464 4.835 20 0 JJADRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC001461234384 1067805785 /nfs/dbraw/zinc/80/57/85/1067805785.db2.gz RPQWAHALJLOZOM-INIZCTEOSA-N 1 0 456.350 4.768 20 0 JJADRO COc1cccc(Oc2ncccc2CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c1 ZINC001461237209 1067806362 /nfs/dbraw/zinc/80/63/62/1067806362.db2.gz WWBKYMQJZPKSMU-UHFFFAOYSA-N 1 0 457.477 4.555 20 0 JJADRO C[C@H](C[NH2+]Cc1ccc(I)s1)Oc1ccc(Br)cc1 ZINC001461239259 1067806861 /nfs/dbraw/zinc/80/68/61/1067806861.db2.gz OTPUXQHNNXYLMR-SNVBAGLBSA-N 1 0 452.155 4.672 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001461240956 1067807881 /nfs/dbraw/zinc/80/78/81/1067807881.db2.gz XZOQNOSBLWJBSS-XCLFUZPHSA-N 1 0 452.755 4.947 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CCc3nc(C(F)(F)F)cs3)o2)C1 ZINC001461249990 1067810046 /nfs/dbraw/zinc/81/00/46/1067810046.db2.gz BXWJHQFFNQYAIR-CQSZACIVSA-N 1 0 459.534 4.645 20 0 JJADRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(OCc4cccs4)c(OC)c3)C2)c1 ZINC001461269553 1067815136 /nfs/dbraw/zinc/81/51/36/1067815136.db2.gz PJDKONPSNUCYHJ-IBGZPJMESA-N 1 0 454.592 4.721 20 0 JJADRO COCCCOc1cc(C)ccc1C[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001461281521 1067817282 /nfs/dbraw/zinc/81/72/82/1067817282.db2.gz QZDNQEZQBLVFKG-UHFFFAOYSA-N 1 0 454.611 4.993 20 0 JJADRO CC[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461284287 1067817476 /nfs/dbraw/zinc/81/74/76/1067817476.db2.gz IHNPAWLAFMYXRA-DHIUTWEWSA-N 1 0 454.412 4.767 20 0 JJADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]Cc2c(F)cc(Br)cc2F)cc1 ZINC001461285144 1067817908 /nfs/dbraw/zinc/81/79/08/1067817908.db2.gz XREIGNBOCFXGTK-AWEZNQCLSA-N 1 0 455.343 4.873 20 0 JJADRO CCCCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1(C)C ZINC001461286783 1067818495 /nfs/dbraw/zinc/81/84/95/1067818495.db2.gz NZWAYJLFOSGABQ-RTWAWAEBSA-N 1 0 451.449 4.936 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001461288696 1067819118 /nfs/dbraw/zinc/81/91/18/1067819118.db2.gz KARUFVOBOAVQSE-RDPSFJRHSA-N 1 0 451.611 4.836 20 0 JJADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001461302731 1067823043 /nfs/dbraw/zinc/82/30/43/1067823043.db2.gz YLDXAAKZXXNCCC-OKZBNKHCSA-N 1 0 455.396 4.735 20 0 JJADRO C[C@@H]1CN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001461302726 1067823135 /nfs/dbraw/zinc/82/31/35/1067823135.db2.gz YLDXAAKZXXNCCC-KZNAEPCWSA-N 1 0 455.396 4.735 20 0 JJADRO COC(=O)[C@]1(NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC001461308351 1067824899 /nfs/dbraw/zinc/82/48/99/1067824899.db2.gz XFKJWNIJKSKHET-OZXSUGGESA-N 1 0 457.014 4.794 20 0 JJADRO Cc1nc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)sc1Br ZINC001461309434 1067824982 /nfs/dbraw/zinc/82/49/82/1067824982.db2.gz RZDWYCBJSOEQST-JTQLQIEISA-N 1 0 455.731 4.650 20 0 JJADRO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001461311821 1067825457 /nfs/dbraw/zinc/82/54/57/1067825457.db2.gz NWSDJHBIXNPCSN-UHFFFAOYSA-N 1 0 452.599 4.997 20 0 JJADRO OC[C@H](C[NH2+]Cc1ccc(Br)c2cccnc12)Cc1ccc(C(F)(F)F)cc1 ZINC001461312529 1067825531 /nfs/dbraw/zinc/82/55/31/1067825531.db2.gz JUOPMDSTQSZJJJ-HNNXBMFYSA-N 1 0 453.302 4.957 20 0 JJADRO CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001461327304 1067829425 /nfs/dbraw/zinc/82/94/25/1067829425.db2.gz DUZPZKKMSIDFRY-UIOOFZCWSA-N 1 0 450.623 4.512 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]CCOc3ncc(Cl)cc3Cl)cccc2C1 ZINC001461329510 1067830324 /nfs/dbraw/zinc/83/03/24/1067830324.db2.gz AEFCDWFVDHSBHM-UHFFFAOYSA-N 1 0 452.382 4.850 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001461330062 1067830420 /nfs/dbraw/zinc/83/04/20/1067830420.db2.gz DSZGFUKFMFPCLR-OAQYLSRUSA-N 1 0 458.393 4.549 20 0 JJADRO COc1cc2[nH]c(CCC[NH2+]C3CCN(C(=O)c4ccccc4Cl)CC3)cc2c(OC)c1 ZINC001461338213 1067832207 /nfs/dbraw/zinc/83/22/07/1067832207.db2.gz PJRHVGDKHUAATQ-UHFFFAOYSA-N 1 0 455.986 4.666 20 0 JJADRO O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001461337079 1067832513 /nfs/dbraw/zinc/83/25/13/1067832513.db2.gz YURMGNBNAFXUSZ-RBUKOAKNSA-N 1 0 453.435 4.880 20 0 JJADRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)c(Br)c1O ZINC001461339529 1067833244 /nfs/dbraw/zinc/83/32/44/1067833244.db2.gz KXJLYCVQYDFTQW-HXUWFJFHSA-N 1 0 458.352 4.566 20 0 JJADRO CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)c2ccccc21 ZINC001461352310 1067836240 /nfs/dbraw/zinc/83/62/40/1067836240.db2.gz CMXPHLUJVKQMID-JOCHJYFZSA-N 1 0 453.384 4.839 20 0 JJADRO COc1cc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCC(C)CC2)cc2ccccc21 ZINC001461356691 1067837138 /nfs/dbraw/zinc/83/71/38/1067837138.db2.gz XWGUBMPHSKVOPK-UHFFFAOYSA-N 1 0 452.620 4.700 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc(Br)c1OC(F)F ZINC001461356917 1067837365 /nfs/dbraw/zinc/83/73/65/1067837365.db2.gz LLNHMJUHKYHRJO-ZDUSSCGKSA-N 1 0 452.361 4.594 20 0 JJADRO Cc1cc(Br)cn2c(C[NH2+][C@H](C)[C@@H](OC3CCOCC3)c3ccccc3)cnc12 ZINC001461360679 1067838547 /nfs/dbraw/zinc/83/85/47/1067838547.db2.gz WZYAFEIMYCXBAU-VGOFRKELSA-N 1 0 458.400 4.820 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1)CC(F)(F)F ZINC001461365845 1067839767 /nfs/dbraw/zinc/83/97/67/1067839767.db2.gz SBGVHCODQNKEGC-CYBMUJFWSA-N 1 0 459.431 4.693 20 0 JJADRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc(Br)cc(Br)c2N)cc1 ZINC001461379961 1067842424 /nfs/dbraw/zinc/84/24/24/1067842424.db2.gz KWFNHNOIMPMKIS-VOJFVSQTSA-N 1 0 458.194 4.668 20 0 JJADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc(F)ccc2Oc2ccc(Cl)cc2)CC1 ZINC001461398094 1067846301 /nfs/dbraw/zinc/84/63/01/1067846301.db2.gz KRNINWPKWUWCJH-UHFFFAOYSA-N 1 0 454.995 4.811 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NCc3cccc(F)c3I)cc2)CC1 ZINC001461401182 1067846727 /nfs/dbraw/zinc/84/67/27/1067846727.db2.gz LOCREVKQHUFOAK-UHFFFAOYSA-N 1 0 453.343 4.573 20 0 JJADRO CCOc1cc(CNc2c[nH+]ccc2-n2cc(C)cn2)cc(Br)c1OC(F)F ZINC001461405151 1067847688 /nfs/dbraw/zinc/84/76/88/1067847688.db2.gz BIQJBOGOSIWUDX-UHFFFAOYSA-N 1 0 453.287 4.950 20 0 JJADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(CNc3cccc4c3CC[N@H+](CC(C)(C)O)C4)cc12 ZINC001461426540 1067853610 /nfs/dbraw/zinc/85/36/10/1067853610.db2.gz SDBIDBQRLXDQKR-UHFFFAOYSA-N 1 0 456.034 4.889 20 0 JJADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1(C)C ZINC001461430828 1067854524 /nfs/dbraw/zinc/85/45/24/1067854524.db2.gz ADHOPOXBLLRBHN-REWPJTCUSA-N 1 0 451.394 4.901 20 0 JJADRO COc1cc(C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)cc2c1OCCO2 ZINC001461444336 1067858088 /nfs/dbraw/zinc/85/80/88/1067858088.db2.gz LZLAQALXIUTVHS-HXUWFJFHSA-N 1 0 455.352 4.698 20 0 JJADRO CN(C)C(=O)COc1ccccc1C[NH2+][C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001461451738 1067859799 /nfs/dbraw/zinc/85/97/99/1067859799.db2.gz AXQIOWHOLCSYBC-QFIPXVFZSA-N 1 0 453.583 4.668 20 0 JJADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1Br ZINC001461456280 1067860840 /nfs/dbraw/zinc/86/08/40/1067860840.db2.gz RQLJRRWUDMRITL-NYHFZMIOSA-N 1 0 452.364 4.583 20 0 JJADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1Br ZINC001461456279 1067860910 /nfs/dbraw/zinc/86/09/10/1067860910.db2.gz RQLJRRWUDMRITL-IVZQSRNASA-N 1 0 452.364 4.583 20 0 JJADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC001461457784 1067861362 /nfs/dbraw/zinc/86/13/62/1067861362.db2.gz XTYBBRKDHBIANO-OAHLLOKOSA-N 1 0 451.409 4.761 20 0 JJADRO C[C@@](O)(C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1Br ZINC001461460026 1067862281 /nfs/dbraw/zinc/86/22/81/1067862281.db2.gz CTCHQXKQBBXMKI-LJQANCHMSA-N 1 0 454.290 4.651 20 0 JJADRO C[N@H+](CCO)Cc1cc(NCc2c[nH]nc2-c2ccc(Br)s2)ccc1Cl ZINC001461460183 1067862350 /nfs/dbraw/zinc/86/23/50/1067862350.db2.gz PEHJACFMWMAYNH-UHFFFAOYSA-N 1 0 455.809 4.590 20 0 JJADRO C[C@H](CCc1ccc(I)cc1)[NH2+]Cc1ncc(Br)s1 ZINC001461463949 1067863358 /nfs/dbraw/zinc/86/33/58/1067863358.db2.gz ZNSQPGZIDQRIFV-SNVBAGLBSA-N 1 0 451.171 4.621 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001461466555 1067864130 /nfs/dbraw/zinc/86/41/30/1067864130.db2.gz VHEMCVSSHYILFB-NRFANRHFSA-N 1 0 453.558 4.627 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1)CC(C)C ZINC001546124659 1067865254 /nfs/dbraw/zinc/86/52/54/1067865254.db2.gz DSVJMYTVACJMPS-UHFFFAOYSA-N 1 0 452.430 4.794 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1nn(C(C)C)cc1Br ZINC001461482341 1067871702 /nfs/dbraw/zinc/87/17/02/1067871702.db2.gz VQYPCQARUUMUNX-UHFFFAOYSA-N 1 0 455.828 4.864 20 0 JJADRO CCOc1cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)ccc1OCc1c(F)cccc1Cl ZINC001461496247 1067875951 /nfs/dbraw/zinc/87/59/51/1067875951.db2.gz RQWOFSLUCYJOAX-OAHLLOKOSA-N 1 0 455.979 4.512 20 0 JJADRO Cc1ccc(C(=O)N[C@@H](CC(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)c2ccccc2)cc1 ZINC001461500888 1067877269 /nfs/dbraw/zinc/87/72/69/1067877269.db2.gz BSQDJRIPGODTDA-UIOOFZCWSA-N 1 0 455.602 4.766 20 0 JJADRO COCC1(C[NH2+]Cc2c(C)ccc(Br)c2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001461500328 1067877435 /nfs/dbraw/zinc/87/74/35/1067877435.db2.gz VKKKWHSSHGLREI-UHFFFAOYSA-N 1 0 459.400 4.650 20 0 JJADRO COc1cc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccc1Br ZINC001461504547 1067878303 /nfs/dbraw/zinc/87/83/03/1067878303.db2.gz NQAFNKXEWOSCLC-QZTJIDSGSA-N 1 0 473.392 4.735 20 0 JJADRO O[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC001461507946 1067878705 /nfs/dbraw/zinc/87/87/05/1067878705.db2.gz SRIMHRPUVFJWDK-KRWDZBQOSA-N 1 0 456.262 4.561 20 0 JJADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)CCO1 ZINC001461511091 1067879164 /nfs/dbraw/zinc/87/91/64/1067879164.db2.gz RFUHARCIEJAJCF-XXBNENTESA-N 1 0 456.384 4.772 20 0 JJADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)[C@H]1n1cccn1 ZINC001461513702 1067879470 /nfs/dbraw/zinc/87/94/70/1067879470.db2.gz JVLJVBHPSIWQIK-BRWVUGGUSA-N 1 0 457.210 4.695 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NCc3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1 ZINC001461519122 1067880360 /nfs/dbraw/zinc/88/03/60/1067880360.db2.gz CJGMASAZWPYHDN-UHFFFAOYSA-N 1 0 452.002 4.547 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NCc3cccc(Cl)c3Br)CC2)cc1 ZINC001461521215 1067880533 /nfs/dbraw/zinc/88/05/33/1067880533.db2.gz MPNWONNUQHWVRP-UHFFFAOYSA-N 1 0 450.808 4.815 20 0 JJADRO CC(=O)Nc1ccc(CN2CCC([NH2+]C3CCN(Cc4ccccc4Cl)CC3)CC2)cc1 ZINC001461524508 1067880752 /nfs/dbraw/zinc/88/07/52/1067880752.db2.gz YAFUABMZGQGCTJ-UHFFFAOYSA-N 1 0 455.046 4.517 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1=O ZINC001461529043 1067881957 /nfs/dbraw/zinc/88/19/57/1067881957.db2.gz DLFCVSWRZBZRMM-MBSDFSHPSA-N 1 0 455.574 4.692 20 0 JJADRO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001546125094 1067883160 /nfs/dbraw/zinc/88/31/60/1067883160.db2.gz VCNNESXRZBYBBK-BKMJKUGQSA-N 1 0 455.687 4.593 20 0 JJADRO COCO[C@@H](C)c1cc(F)c(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1Br ZINC001461553165 1067887049 /nfs/dbraw/zinc/88/70/49/1067887049.db2.gz MNRHDZWGAXBHJZ-LHSJRXKWSA-N 1 0 457.359 4.801 20 0 JJADRO Cc1cccc(COc2c(C)cc(C[NH2+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2C)c1 ZINC001461558636 1067887960 /nfs/dbraw/zinc/88/79/60/1067887960.db2.gz HAPGSAKRGJAXDO-XMMPIXPASA-N 1 0 454.611 4.916 20 0 JJADRO CCOc1cc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)ccc1O[C@H](C)C(=O)N(C)C ZINC001461561246 1067888546 /nfs/dbraw/zinc/88/85/46/1067888546.db2.gz QQNQWAZVFNOIKO-GOSISDBHSA-N 1 0 450.583 4.629 20 0 JJADRO COc1cccc(Sc2ccccc2C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)c1 ZINC001461567549 1067890401 /nfs/dbraw/zinc/89/04/01/1067890401.db2.gz QIPZUINAMKRXJT-UHFFFAOYSA-N 1 0 456.633 4.823 20 0 JJADRO Cn1c(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)nc2cc(C(F)(F)F)ccc21 ZINC001461578704 1067892439 /nfs/dbraw/zinc/89/24/39/1067892439.db2.gz GVTRSIKNASHEOH-FUHWJXTLSA-N 1 0 456.434 4.712 20 0 JJADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccc2)CCO1 ZINC001461577279 1067892459 /nfs/dbraw/zinc/89/24/59/1067892459.db2.gz XHABRMULESFUML-RBBKRZOGSA-N 1 0 456.384 4.772 20 0 JJADRO CCOc1cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)ccc1OCc1c(Cl)cccc1Cl ZINC001461583578 1067893956 /nfs/dbraw/zinc/89/39/56/1067893956.db2.gz VMCXBQFMRDAJLO-DYESRHJHSA-N 1 0 454.394 4.848 20 0 JJADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001461583850 1067894406 /nfs/dbraw/zinc/89/44/06/1067894406.db2.gz SDWWNEKBADFGOR-WIYYLYMNSA-N 1 0 459.606 4.787 20 0 JJADRO COc1cc(NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1OCC[NH+](C)C ZINC001461585455 1067894422 /nfs/dbraw/zinc/89/44/22/1067894422.db2.gz MVDAPYXUKDZCPK-UHFFFAOYSA-N 1 0 455.599 4.541 20 0 JJADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001461583848 1067894456 /nfs/dbraw/zinc/89/44/56/1067894456.db2.gz SDWWNEKBADFGOR-RXVVDRJESA-N 1 0 459.606 4.787 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC001461591100 1067895908 /nfs/dbraw/zinc/89/59/08/1067895908.db2.gz HLAAMZNSYREYMI-UWVGGRQHSA-N 1 0 455.290 4.789 20 0 JJADRO CC[C@@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)C(=O)NCc1cccs1 ZINC001461603367 1067899878 /nfs/dbraw/zinc/89/98/78/1067899878.db2.gz AHKIPTQCJUBXLB-QGZVFWFLSA-N 1 0 450.427 4.819 20 0 JJADRO COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)ccc1OCc1ccncc1 ZINC001461616940 1067902612 /nfs/dbraw/zinc/90/26/12/1067902612.db2.gz HKTHVVKPQIUDER-GOTSBHOMSA-N 1 0 453.583 4.595 20 0 JJADRO COc1ccc(C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)cc1Br ZINC001461618450 1067903006 /nfs/dbraw/zinc/90/30/06/1067903006.db2.gz WOXWSXUGCNFHBA-UHFFFAOYSA-N 1 0 453.352 4.911 20 0 JJADRO CN(Cc1ccccc1C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001461619738 1067903022 /nfs/dbraw/zinc/90/30/22/1067903022.db2.gz QHAPRFUWAAISLU-GOSISDBHSA-N 1 0 457.562 4.692 20 0 JJADRO CN1CC[NH+](CCCOc2ccc(NCc3oc4ccccc4c3Br)cc2)CC1 ZINC001461623576 1067903558 /nfs/dbraw/zinc/90/35/58/1067903558.db2.gz OJTHUOIMYNXDII-UHFFFAOYSA-N 1 0 458.400 4.824 20 0 JJADRO CCOc1cc(C[NH2+]Cc2cnccc2C(F)(F)F)ccc1OCC(=O)Nc1ccccc1 ZINC001461647479 1067908966 /nfs/dbraw/zinc/90/89/66/1067908966.db2.gz ZYOAUGIBEIVRCA-UHFFFAOYSA-N 1 0 459.468 4.806 20 0 JJADRO COc1cc(CCC[NH2+]Cc2cc(Br)cc(Br)c2)cc(OC)c1O ZINC001461665959 1067913943 /nfs/dbraw/zinc/91/39/43/1067913943.db2.gz BTUNFRYOPFZGDF-UHFFFAOYSA-N 1 0 459.178 4.657 20 0 JJADRO COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)ccc1OCC(F)(F)F ZINC001461674928 1067915878 /nfs/dbraw/zinc/91/58/78/1067915878.db2.gz ANNTZEVFUQHQRC-RANZSIQMSA-N 1 0 458.521 4.902 20 0 JJADRO CCN1c2ccc(NCc3ccccc3N(C)C3CC[NH+](C)CC3)cc2OCC(C)(C)C1=O ZINC001461674780 1067915930 /nfs/dbraw/zinc/91/59/30/1067915930.db2.gz APABSVXIKHOFCB-UHFFFAOYSA-N 1 0 450.627 4.601 20 0 JJADRO Brc1cccc(-c2ccc(C[NH2+]C[C@H]3CN(Cc4ccncc4)CCO3)s2)c1 ZINC001461675036 1067915940 /nfs/dbraw/zinc/91/59/40/1067915940.db2.gz FWOOOXCEIDLTKX-FQEVSTJZSA-N 1 0 458.425 4.563 20 0 JJADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1C ZINC001461680658 1067916805 /nfs/dbraw/zinc/91/68/05/1067916805.db2.gz ATBZKALBXJYEEM-QFIPXVFZSA-N 1 0 454.500 4.700 20 0 JJADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC001461680182 1067916980 /nfs/dbraw/zinc/91/69/80/1067916980.db2.gz CIEHPROZODFZLF-UHFFFAOYSA-N 1 0 453.030 4.962 20 0 JJADRO C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CN1C(=O)OC(C)(C)C ZINC001461684933 1067917823 /nfs/dbraw/zinc/91/78/23/1067917823.db2.gz RXHUANPNBBBXHX-TZMCWYRMSA-N 1 0 455.422 4.778 20 0 JJADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001461697711 1067920853 /nfs/dbraw/zinc/92/08/53/1067920853.db2.gz AUOIENHLKFYETH-HNAYVOBHSA-N 1 0 450.446 4.836 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@H]3C[C@H](C(=O)OCc4ccccc4)C3)cc2C1 ZINC001461701260 1067921608 /nfs/dbraw/zinc/92/16/08/1067921608.db2.gz JXNWITKOHMTODU-HCGLCNNCSA-N 1 0 450.579 4.591 20 0 JJADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1csc(-c2sccc2Br)n1 ZINC001461702929 1067921942 /nfs/dbraw/zinc/92/19/42/1067921942.db2.gz NTIAVGSGTOALSC-HIFRSBDPSA-N 1 0 456.475 4.898 20 0 JJADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC001461717779 1067924439 /nfs/dbraw/zinc/92/44/39/1067924439.db2.gz RTGUBAIXVPOEDH-HXUWFJFHSA-N 1 0 453.455 4.809 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC001461749123 1067930252 /nfs/dbraw/zinc/93/02/52/1067930252.db2.gz FCHGGMOKONMKPM-CQSZACIVSA-N 1 0 456.427 4.749 20 0 JJADRO O[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2Oc2ccc(F)c(Cl)c2)CC[C@@H]1O ZINC001461750971 1067930348 /nfs/dbraw/zinc/93/03/48/1067930348.db2.gz BZPVBFFTOXEYGC-QIDUDWOJSA-N 1 0 458.755 4.788 20 0 JJADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC001461755339 1067930921 /nfs/dbraw/zinc/93/09/21/1067930921.db2.gz UQEVJFWEKSPFMI-UHFFFAOYSA-N 1 0 459.615 4.724 20 0 JJADRO CCO/C=C\[C@](O)(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccc(C)c1)C(F)(F)F ZINC001461772518 1067934526 /nfs/dbraw/zinc/93/45/26/1067934526.db2.gz FJCYWRRRKMHPKO-UMHMGIAYSA-N 1 0 459.512 4.840 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC001461776782 1067935391 /nfs/dbraw/zinc/93/53/91/1067935391.db2.gz VCAVBOLMJNQOJJ-GYZWWNDVSA-N 1 0 452.595 4.569 20 0 JJADRO COc1cc(C[NH2+][C@@H](C)C(C)(C)OC)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001461779842 1067935755 /nfs/dbraw/zinc/93/57/55/1067935755.db2.gz YSRYYGFZRUSRPW-HNNXBMFYSA-N 1 0 454.489 4.635 20 0 JJADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CCC(C)(c2cccc(Br)c2)CC1 ZINC001461783044 1067936461 /nfs/dbraw/zinc/93/64/61/1067936461.db2.gz GTJJYJFLUFNCDZ-JVVKFSLBSA-N 1 0 467.448 4.873 20 0 JJADRO CCCOc1c(Br)cc(C[NH2+]CCc2cccc3c2OCCO3)cc1OCC ZINC001461782471 1067936480 /nfs/dbraw/zinc/93/64/80/1067936480.db2.gz ZFHCQRVGMPEGNC-UHFFFAOYSA-N 1 0 450.373 4.740 20 0 JJADRO CCOc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N(C)C)ccc1OCC(=O)N1CCCCC1 ZINC001461831837 1067943289 /nfs/dbraw/zinc/94/32/89/1067943289.db2.gz KUIFTMIXGWREST-IBGZPJMESA-N 1 0 457.590 4.533 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC001461833721 1067943823 /nfs/dbraw/zinc/94/38/23/1067943823.db2.gz VJDRIMLNMJBNGL-QGZVFWFLSA-N 1 0 455.318 4.920 20 0 JJADRO Cc1ccccc1COc1c(C)cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C ZINC001461836407 1067943968 /nfs/dbraw/zinc/94/39/68/1067943968.db2.gz NNRCJKPDINZUCZ-BJKOFHAPSA-N 1 0 454.611 4.508 20 0 JJADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001461844544 1067945252 /nfs/dbraw/zinc/94/52/52/1067945252.db2.gz JYPFRFYOMVVGLP-GCJKJVERSA-N 1 0 459.428 4.950 20 0 JJADRO CC[C@H](c1ccccc1)[NH+]1CCN(Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001461848866 1067946340 /nfs/dbraw/zinc/94/63/40/1067946340.db2.gz DMTTZKRUPDJCQM-OAQYLSRUSA-N 1 0 456.656 4.705 20 0 JJADRO O=C(CCc1cccc(F)c1Br)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001461852813 1067947440 /nfs/dbraw/zinc/94/74/40/1067947440.db2.gz CNGSPSFKLPCTMB-HXUWFJFHSA-N 1 0 459.403 4.939 20 0 JJADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001461852971 1067947484 /nfs/dbraw/zinc/94/74/84/1067947484.db2.gz CSRMSFJORGOGDE-ICSRJNTNSA-N 1 0 457.412 4.635 20 0 JJADRO O=C(CCc1cccc(F)c1Br)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001461852796 1067947512 /nfs/dbraw/zinc/94/75/12/1067947512.db2.gz CNGSPSFKLPCTMB-FQEVSTJZSA-N 1 0 459.403 4.939 20 0 JJADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001461856380 1067948500 /nfs/dbraw/zinc/94/85/00/1067948500.db2.gz OAYVHXFNACFGHJ-KNQAVFIVSA-N 1 0 451.636 4.544 20 0 JJADRO CSc1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)cc1Br ZINC001461856705 1067948619 /nfs/dbraw/zinc/94/86/19/1067948619.db2.gz YTOMGPAILKDFBA-UHFFFAOYSA-N 1 0 459.413 4.848 20 0 JJADRO COC(=O)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1Br ZINC001461862056 1067949114 /nfs/dbraw/zinc/94/91/14/1067949114.db2.gz MYBXGDWYZADHOC-NFBKMPQASA-N 1 0 457.412 4.722 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)C1 ZINC001461867316 1067950485 /nfs/dbraw/zinc/95/04/85/1067950485.db2.gz IMPCIIWQWNBZNW-HSZRJFAPSA-N 1 0 453.986 4.777 20 0 JJADRO CCc1ncoc1C(=O)Nc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc(Cl)c1Cl ZINC001461882595 1067954051 /nfs/dbraw/zinc/95/40/51/1067954051.db2.gz HDNJQXZPHHKBKT-CQSZACIVSA-N 1 0 455.386 4.502 20 0 JJADRO CC1CC[NH+](C[C@@H]2CCCN(Cc3ccc(N4CCC[C@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899081 1067957572 /nfs/dbraw/zinc/95/75/72/1067957572.db2.gz NMBSULOUZJFAKQ-GOTSBHOMSA-N 1 0 459.675 4.782 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001461907012 1067959304 /nfs/dbraw/zinc/95/93/04/1067959304.db2.gz BXTLVKSAHMSPNU-RPWUZVMVSA-N 1 0 455.643 4.583 20 0 JJADRO CN(C(=O)c1ccc(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC001461907775 1067959320 /nfs/dbraw/zinc/95/93/20/1067959320.db2.gz GXUGLKOPANYCOE-UHFFFAOYSA-N 1 0 455.602 4.995 20 0 JJADRO CCC[N@H+](Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCc2ccccc2C1 ZINC001461910139 1067959684 /nfs/dbraw/zinc/95/96/84/1067959684.db2.gz FNALFKTUYYIKBG-XZOQPEGZSA-N 1 0 453.631 4.620 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Oc4cc(F)cc(F)c4)nc3)cc2)CC1 ZINC001461919410 1067960973 /nfs/dbraw/zinc/96/09/73/1067960973.db2.gz IWPCAHJOXARVIQ-UHFFFAOYSA-N 1 0 452.505 4.935 20 0 JJADRO CCN(CC1CC[NH+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1)C(=O)OC(C)(C)C ZINC001461928525 1067962745 /nfs/dbraw/zinc/96/27/45/1067962745.db2.gz SSYHFRNCUHNSFX-UHFFFAOYSA-N 1 0 455.599 4.841 20 0 JJADRO COC(=O)[C@@H](C)Oc1ccccc1C[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929613 1067962782 /nfs/dbraw/zinc/96/27/82/1067962782.db2.gz XJSGCKGZICPSBR-WOJBJXKFSA-N 1 0 455.599 4.902 20 0 JJADRO COC(=O)[C@H](C)Oc1ccccc1C[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929607 1067962911 /nfs/dbraw/zinc/96/29/11/1067962911.db2.gz XJSGCKGZICPSBR-PMACEKPBSA-N 1 0 455.599 4.902 20 0 JJADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)Cc2cccc(Cl)c2Cl)cnn1C ZINC001461930765 1067963238 /nfs/dbraw/zinc/96/32/38/1067963238.db2.gz YCGZUHVGNXHADQ-MRXNPFEDSA-N 1 0 455.430 4.851 20 0 JJADRO CCC1(Cn2c(-c3cccc(Br)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC001546128273 1067966385 /nfs/dbraw/zinc/96/63/85/1067966385.db2.gz VQFKSMOCEOBXBF-UHFFFAOYSA-N 1 0 490.490 4.835 20 0 JJADRO CCC[N@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001461958854 1067969341 /nfs/dbraw/zinc/96/93/41/1067969341.db2.gz MWQBAKVEZZGZII-LJQANCHMSA-N 1 0 453.574 4.552 20 0 JJADRO Fc1ccc(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1C(F)(F)F ZINC001461971035 1067971889 /nfs/dbraw/zinc/97/18/89/1067971889.db2.gz NCSROGTWFCPUBS-UHFFFAOYSA-N 1 0 454.493 4.706 20 0 JJADRO Cc1ccnc(N)c1CN1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001461974869 1067972970 /nfs/dbraw/zinc/97/29/70/1067972970.db2.gz CGEHPIDYAQLNFV-UHFFFAOYSA-N 1 0 457.441 4.781 20 0 JJADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001461996324 1067977086 /nfs/dbraw/zinc/97/70/86/1067977086.db2.gz QZRUZOKHUYNMBH-FBBABVLZSA-N 1 0 455.599 4.778 20 0 JJADRO CCOC(=O)N1CCC(C)(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)CC1 ZINC001461997915 1067977652 /nfs/dbraw/zinc/97/76/52/1067977652.db2.gz FFTSIAOWTDYMHT-RUZDIDTESA-N 1 0 452.595 4.910 20 0 JJADRO CCC1([NH+](C)C)CCN(C(=O)c2cc3cc(Br)cc(Br)c3o2)CC1 ZINC001462010777 1067980104 /nfs/dbraw/zinc/98/01/04/1067980104.db2.gz OEKUKTPVVOGFQA-UHFFFAOYSA-N 1 0 458.194 4.904 20 0 JJADRO C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(Br)cc1N1CCOCC1 ZINC001462042674 1067987874 /nfs/dbraw/zinc/98/78/74/1067987874.db2.gz ZWDNDRUETNTUTO-UHFFFAOYSA-N 1 0 454.206 4.680 20 0 JJADRO CC(=O)N(c1nc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cs1)c1ccc(F)cc1F ZINC001462045779 1067988800 /nfs/dbraw/zinc/98/88/00/1067988800.db2.gz FICHXWBQXNDRFA-OPAMFIHVSA-N 1 0 456.562 4.716 20 0 JJADRO Cc1ccc(N[C@@H]2CC[C@@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)cc1NC(=O)CC[NH+](C)C ZINC001462047634 1067989498 /nfs/dbraw/zinc/98/94/98/1067989498.db2.gz BDVDPQHBWFXODP-MIZPHKNDSA-N 1 0 458.647 4.865 20 0 JJADRO CCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cc1 ZINC001462050267 1067990623 /nfs/dbraw/zinc/99/06/23/1067990623.db2.gz JGDGCZUQVXZGGE-NRFANRHFSA-N 1 0 450.410 4.898 20 0 JJADRO CCCN(CC)C(=O)c1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cc1 ZINC001462050272 1067990786 /nfs/dbraw/zinc/99/07/86/1067990786.db2.gz JGDGCZUQVXZGGE-OAQYLSRUSA-N 1 0 450.410 4.898 20 0 JJADRO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001462055222 1067991926 /nfs/dbraw/zinc/99/19/26/1067991926.db2.gz QPAWWGVZEJZTIA-SFHVURJKSA-N 1 0 457.562 4.562 20 0 JJADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1(C(=O)NCC2CC2)CCCC1 ZINC001462061491 1067993459 /nfs/dbraw/zinc/99/34/59/1067993459.db2.gz PVXXUJUQQOOUOV-UHFFFAOYSA-N 1 0 459.432 4.687 20 0 JJADRO CCOc1cc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc(Br)c1O ZINC001462090079 1067999447 /nfs/dbraw/zinc/99/94/47/1067999447.db2.gz VWMKTUFEUHYLQA-IFMALSPDSA-N 1 0 452.364 4.556 20 0 JJADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462099022 1068001895 /nfs/dbraw/zinc/00/18/95/1068001895.db2.gz YHRSUWAQZOMPBD-QGZVFWFLSA-N 1 0 453.371 4.719 20 0 JJADRO CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001462110379 1068006534 /nfs/dbraw/zinc/00/65/34/1068006534.db2.gz RQCVMYAVLCCQEX-OYUWMTPXSA-N 1 0 458.602 4.945 20 0 JJADRO CCOc1cc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc(Br)c1O ZINC001462117649 1068007173 /nfs/dbraw/zinc/00/71/73/1068007173.db2.gz BAFOIPQREXNPLJ-AWEZNQCLSA-N 1 0 459.306 4.941 20 0 JJADRO Cc1ccc(-n2ncc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c2C(F)(F)F)cc1 ZINC001462115403 1068007289 /nfs/dbraw/zinc/00/72/89/1068007289.db2.gz DMKMNMJMDQQZCL-QUCCMNQESA-N 1 0 456.512 4.697 20 0 JJADRO CC[NH+]1CCN(c2cccc(N[C@@H]3CCN(C)[C@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122797 1068010209 /nfs/dbraw/zinc/01/02/09/1068010209.db2.gz AQVDTXFWFHHJON-VWNXMTODSA-N 1 0 457.460 4.838 20 0 JJADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(-c4ccccc4)c(C)c3)CC2)cc1 ZINC001462130344 1068011943 /nfs/dbraw/zinc/01/19/43/1068011943.db2.gz VJVGPCPHSKSVSP-UHFFFAOYSA-N 1 0 450.604 4.614 20 0 JJADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462159434 1068019062 /nfs/dbraw/zinc/01/90/62/1068019062.db2.gz WVVOKSWDPWUQEE-IFXJQAMLSA-N 1 0 453.327 4.767 20 0 JJADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)cc1Cl ZINC001462162276 1068019302 /nfs/dbraw/zinc/01/93/02/1068019302.db2.gz JJJJMDHLSTYRSH-QAPCUYQASA-N 1 0 450.808 4.997 20 0 JJADRO Brc1cccc(N2CC[C@@H]([NH2+][C@H]3CCc4cc(Br)ccc4C3)C2)c1 ZINC001462165632 1068020273 /nfs/dbraw/zinc/02/02/73/1068020273.db2.gz XFQHWTGTDDUPIU-RBUKOAKNSA-N 1 0 450.218 4.937 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(C[NH+]3CCC(O)(Cc4ccccc4F)CC3)cc2C1 ZINC001462183990 1068024338 /nfs/dbraw/zinc/02/43/38/1068024338.db2.gz ONAOETAFSZNTJC-UHFFFAOYSA-N 1 0 454.586 4.689 20 0 JJADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H](C)c2cccc(OCc3ccccc3)c2)C1 ZINC001462191997 1068026130 /nfs/dbraw/zinc/02/61/30/1068026130.db2.gz QNAQFSXBOCRTIC-FQEVSTJZSA-N 1 0 453.579 4.968 20 0 JJADRO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)o1 ZINC001462233013 1068034261 /nfs/dbraw/zinc/03/42/61/1068034261.db2.gz RNENBBXXLMAKHL-UHFFFAOYSA-N 1 0 454.567 4.956 20 0 JJADRO COCC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)c1cccc(C(F)(F)F)c1 ZINC001462234221 1068034879 /nfs/dbraw/zinc/03/48/79/1068034879.db2.gz GAIPXOYNTSMGEZ-QRWLVFNGSA-N 1 0 452.473 4.577 20 0 JJADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001462233605 1068035062 /nfs/dbraw/zinc/03/50/62/1068035062.db2.gz DJXJZGZRPARTMY-RXVVDRJESA-N 1 0 450.023 4.630 20 0 JJADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC001462237460 1068035286 /nfs/dbraw/zinc/03/52/86/1068035286.db2.gz ZORZHJAEISDKAC-QVKFZJNVSA-N 1 0 456.384 4.740 20 0 JJADRO COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)cc2)c1 ZINC001462236302 1068035310 /nfs/dbraw/zinc/03/53/10/1068035310.db2.gz NYPPBQVQJSMWOX-SIBVEZHUSA-N 1 0 454.567 4.843 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC001462253491 1068038334 /nfs/dbraw/zinc/03/83/34/1068038334.db2.gz BJXCVLWZTOOREC-DENIHFKCSA-N 1 0 450.558 4.899 20 0 JJADRO C[C@H]1C[C@@H](NCc2c(Br)cncc2Br)C[N@H+](Cc2ccccc2)C1 ZINC001462255826 1068039037 /nfs/dbraw/zinc/03/90/37/1068039037.db2.gz AMQKFOHJFLZNBV-GOEBONIOSA-N 1 0 453.222 4.607 20 0 JJADRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC001462275602 1068042537 /nfs/dbraw/zinc/04/25/37/1068042537.db2.gz VOKDMDROPQKPQI-UHFFFAOYSA-N 1 0 454.796 4.613 20 0 JJADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc(Br)cc2Cl)c(OC)c1 ZINC001462279802 1068043016 /nfs/dbraw/zinc/04/30/16/1068043016.db2.gz BVGRTFXJZSMGAX-CYBMUJFWSA-N 1 0 455.780 4.669 20 0 JJADRO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280777 1068043312 /nfs/dbraw/zinc/04/33/12/1068043312.db2.gz GULDXVAWNOYZFR-HRAATJIYSA-N 1 0 451.485 4.998 20 0 JJADRO O[C@H](c1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293084 1068045347 /nfs/dbraw/zinc/04/53/47/1068045347.db2.gz HODBWIKSXYUPTB-NZQKXSOJSA-N 1 0 458.375 4.779 20 0 JJADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC001462293129 1068045661 /nfs/dbraw/zinc/04/56/61/1068045661.db2.gz LJSSRGXCOCQZTO-LBPRGKRZSA-N 1 0 457.518 4.505 20 0 JJADRO CCc1ccccc1[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(OC)c1)NC(=O)OC(C)(C)C ZINC001462318975 1068050163 /nfs/dbraw/zinc/05/01/63/1068050163.db2.gz YETJKQIDDOZZLY-WZONZLPQSA-N 1 0 455.599 4.830 20 0 JJADRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001462337834 1068054114 /nfs/dbraw/zinc/05/41/14/1068054114.db2.gz WWENPQGORJDCNQ-KRWDZBQOSA-N 1 0 455.401 4.907 20 0 JJADRO CCC1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[NH+](C(C)C)CC2)CCOCC1 ZINC001546131003 1068057365 /nfs/dbraw/zinc/05/73/65/1068057365.db2.gz MFRNZXBKMYFXLO-UHFFFAOYSA-N 1 0 453.675 4.980 20 0 JJADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)cnn1C ZINC001462353129 1068057597 /nfs/dbraw/zinc/05/75/97/1068057597.db2.gz CRTVJXITXOWSMC-RLWLMLJZSA-N 1 0 458.622 4.648 20 0 JJADRO COCc1c(C)cc(C)c(C[N@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)OC)C2)c1C ZINC001462359275 1068059152 /nfs/dbraw/zinc/05/91/52/1068059152.db2.gz BCVRRKNOAAOTRW-FCHUYYIVSA-N 1 0 460.412 4.909 20 0 JJADRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)c(C)c1 ZINC001462360914 1068059733 /nfs/dbraw/zinc/05/97/33/1068059733.db2.gz LDBOLUGJKUQIEO-CQSZACIVSA-N 1 0 452.780 4.665 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C[C@H]1c1ccc(Br)cc1 ZINC001462361263 1068059831 /nfs/dbraw/zinc/05/98/31/1068059831.db2.gz MZDKDJAFFCKCAP-XZOQPEGZSA-N 1 0 468.395 4.547 20 0 JJADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c(OC)c1 ZINC001462398354 1068065443 /nfs/dbraw/zinc/06/54/43/1068065443.db2.gz AMOAKTSIHLGOAO-AQKFKSFVSA-N 1 0 454.567 4.581 20 0 JJADRO CC(C)(C)OC(=O)NCC1(CC[NH2+][C@@H]2CC[C@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001462403324 1068066782 /nfs/dbraw/zinc/06/67/82/1068066782.db2.gz JDVJPNIKEREJJR-ZCNNSNEGSA-N 1 0 451.652 4.839 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cccn2C(F)F)cc1F ZINC001462427341 1068072217 /nfs/dbraw/zinc/07/22/17/1068072217.db2.gz NQZKPPJUHLSEKD-HKUYNNGSSA-N 1 0 453.505 4.914 20 0 JJADRO Cc1c(Br)cc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)cc1Br ZINC001462429322 1068072710 /nfs/dbraw/zinc/07/27/10/1068072710.db2.gz WJRWQXJGHOVPIS-UHFFFAOYSA-N 1 0 450.215 4.867 20 0 JJADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC001462444131 1068075624 /nfs/dbraw/zinc/07/56/24/1068075624.db2.gz ZSUUCYPIHJIPBM-DJIMGWMZSA-N 1 0 459.450 4.713 20 0 JJADRO CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1 ZINC001462451894 1068077539 /nfs/dbraw/zinc/07/75/39/1068077539.db2.gz LCCOHJADXOGJTR-FSSWDIPSSA-N 1 0 459.679 4.863 20 0 JJADRO Cc1ccc(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1NC(=O)OC(C)(C)C ZINC001462461230 1068079591 /nfs/dbraw/zinc/07/95/91/1068079591.db2.gz FVFJUTKPOHMDSR-JOCHJYFZSA-N 1 0 450.583 4.879 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+][C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)C1 ZINC001462477039 1068081675 /nfs/dbraw/zinc/08/16/75/1068081675.db2.gz CTJIAVPKIJKUKA-UFXZXOMWSA-N 1 0 451.652 4.647 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 ZINC001462489783 1068084058 /nfs/dbraw/zinc/08/40/58/1068084058.db2.gz USAIVWLRNQFRQD-NDEPHWFRSA-N 1 0 457.618 4.997 20 0 JJADRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001462511186 1068087983 /nfs/dbraw/zinc/08/79/83/1068087983.db2.gz VXQLQGPXXNSUSN-ATZDWAIDSA-N 1 0 455.521 4.578 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3OCC(F)F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462519953 1068090608 /nfs/dbraw/zinc/09/06/08/1068090608.db2.gz QFTKYHXWVLSPME-LEWJYISDSA-N 1 0 462.537 4.832 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538683 1068093841 /nfs/dbraw/zinc/09/38/41/1068093841.db2.gz ZBLIVUITMOUREA-DFBJGRDBSA-N 1 0 457.640 4.961 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+][C@H](CO)c3ccc(Br)cc3)CC[C@H]21 ZINC001462543716 1068095068 /nfs/dbraw/zinc/09/50/68/1068095068.db2.gz RQQLVAXVPXCXRT-VBSBHUPXSA-N 1 0 453.421 4.640 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001462553589 1068097546 /nfs/dbraw/zinc/09/75/46/1068097546.db2.gz KYSBTHVESYOCPG-MCNSAMFCSA-N 1 0 456.608 4.856 20 0 JJADRO COc1cc(Cl)c(C[NH2+]C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1Cl ZINC001462556220 1068097583 /nfs/dbraw/zinc/09/75/83/1068097583.db2.gz DZOKNYJOQNIUNA-MRXNPFEDSA-N 1 0 459.414 4.898 20 0 JJADRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cnc(-c4ccc(Br)cc4)s3)C2)cc1 ZINC001462557999 1068097996 /nfs/dbraw/zinc/09/79/96/1068097996.db2.gz XNKKEOXSZDAMRR-GOSISDBHSA-N 1 0 458.381 4.864 20 0 JJADRO COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001462561086 1068098426 /nfs/dbraw/zinc/09/84/26/1068098426.db2.gz VULLXFWIHUIUIJ-RDPSFJRHSA-N 1 0 454.611 4.594 20 0 JJADRO C[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462575387 1068101945 /nfs/dbraw/zinc/10/19/45/1068101945.db2.gz BNZFVTOPSATDGW-HUUCEWRRSA-N 1 0 454.402 4.557 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001462591112 1068107141 /nfs/dbraw/zinc/10/71/41/1068107141.db2.gz BAPXZOWQNATIDO-XNTOXWQXSA-N 1 0 451.652 4.647 20 0 JJADRO C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001462601856 1068109604 /nfs/dbraw/zinc/10/96/04/1068109604.db2.gz FYVBCRWFKVDGQM-FHAGJXEFSA-N 1 0 451.652 4.888 20 0 JJADRO C[C@@H](NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1nc(-c2ccc(Cl)cc2)no1 ZINC001462606990 1068110946 /nfs/dbraw/zinc/11/09/46/1068110946.db2.gz BNXWDCWUFZUSAZ-GFCCVEGCSA-N 1 0 450.873 4.624 20 0 JJADRO CN1CCN(Cc2ccccc2Oc2ccc(Cl)cc2Br)CC[N@H+](C)CC1 ZINC001462615235 1068113091 /nfs/dbraw/zinc/11/30/91/1068113091.db2.gz YWADWVKWLPKFIG-UHFFFAOYSA-N 1 0 452.824 4.574 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc(COc3ccccc3F)on2)CCCCC1 ZINC001462623415 1068114856 /nfs/dbraw/zinc/11/48/56/1068114856.db2.gz IINXXECPIUMKFF-UHFFFAOYSA-N 1 0 451.542 4.957 20 0 JJADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H](C)c1ccc(Br)cc1 ZINC001462629974 1068117045 /nfs/dbraw/zinc/11/70/45/1068117045.db2.gz ORPBJWFLTHRPRA-CVEARBPZSA-N 1 0 458.400 4.908 20 0 JJADRO COCCOc1ccc(NC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1Br ZINC001462634885 1068119471 /nfs/dbraw/zinc/11/94/71/1068119471.db2.gz UHTOKAPIRONXEB-UHFFFAOYSA-N 1 0 451.380 4.732 20 0 JJADRO Cc1cccc(COc2cccc(C(=O)NCC3([N@H+](C)Cc4ccccc4)CCOCC3)c2)c1 ZINC001462646020 1068122802 /nfs/dbraw/zinc/12/28/02/1068122802.db2.gz NOEKQPNEIAVTKX-UHFFFAOYSA-N 1 0 458.602 4.985 20 0 JJADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001462673102 1068128444 /nfs/dbraw/zinc/12/84/44/1068128444.db2.gz INYBAKSRVXEUJL-MRXNPFEDSA-N 1 0 454.409 4.534 20 0 JJADRO CCOC(=O)c1ccc(-c2ccc(CN3CCO[C@@H](c4ccc(OC)c(OC)c4)C3)o2)cc1 ZINC001462681891 1068130457 /nfs/dbraw/zinc/13/04/57/1068130457.db2.gz ZPSGZDFSKRQTHK-RUZDIDTESA-N 1 0 451.519 4.714 20 0 JJADRO CC(C)(C)OC(=O)Nc1cccc2c1CN(C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC2 ZINC001462682884 1068130493 /nfs/dbraw/zinc/13/04/93/1068130493.db2.gz JBUIOBVHNHZQEQ-INIZCTEOSA-N 1 0 455.546 4.940 20 0 JJADRO O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001462691367 1068132888 /nfs/dbraw/zinc/13/28/88/1068132888.db2.gz UMKDXAUOTZCGNC-QEUVDIPISA-N 1 0 452.542 4.580 20 0 JJADRO CN(Cc1ccccc1)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462703919 1068136564 /nfs/dbraw/zinc/13/65/64/1068136564.db2.gz NRYKERFTTKTYAR-LOSJGSFVSA-N 1 0 455.023 4.770 20 0 JJADRO CC[NH+](CC)[C@H](CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1ccccc1 ZINC001462740508 1068150582 /nfs/dbraw/zinc/15/05/82/1068150582.db2.gz JVTCRZJNYQWBDX-JOCHJYFZSA-N 1 0 450.551 4.578 20 0 JJADRO Cc1ccc(C2(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)CCCCC2)c(Br)c1 ZINC001462749605 1068154307 /nfs/dbraw/zinc/15/43/07/1068154307.db2.gz QFWDDFFPAKRQJD-PMACEKPBSA-N 1 0 451.474 4.655 20 0 JJADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC001462781199 1068166521 /nfs/dbraw/zinc/16/65/21/1068166521.db2.gz FGGOLQUFTZSATB-UHFFFAOYSA-N 1 0 456.995 4.750 20 0 JJADRO Cc1nc2ccc(S(=O)(=O)NCc3ccccc3-c3ccc(C[NH+](C)C)cc3)cc2s1 ZINC001462784340 1068166892 /nfs/dbraw/zinc/16/68/92/1068166892.db2.gz ZMDSKRCXQGABGO-UHFFFAOYSA-N 1 0 451.617 4.812 20 0 JJADRO COc1ccc2c(c1)CCC(S(=O)(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)=C2 ZINC001462830006 1068181364 /nfs/dbraw/zinc/18/13/64/1068181364.db2.gz IOVIRLVLFFHDSU-WOJBJXKFSA-N 1 0 454.636 4.580 20 0 JJADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC001462862508 1068194267 /nfs/dbraw/zinc/19/42/67/1068194267.db2.gz VKXOIRRTIYMAAE-WUFINQPMSA-N 1 0 478.658 4.870 20 0 JJADRO O=S(=O)(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C2CCCCC2)cc1 ZINC001462862057 1068194430 /nfs/dbraw/zinc/19/44/30/1068194430.db2.gz JNMTWZXERUZDHN-UHFFFAOYSA-N 1 0 455.668 4.615 20 0 JJADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)c2ccccc2)CC1 ZINC001462899540 1068208272 /nfs/dbraw/zinc/20/82/72/1068208272.db2.gz XYTNWRXYGLTMIF-SFHVURJKSA-N 1 0 458.958 4.693 20 0 JJADRO Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC001462931668 1068219221 /nfs/dbraw/zinc/21/92/21/1068219221.db2.gz OQBOBHZKQMEACR-LJQANCHMSA-N 1 0 456.999 4.780 20 0 JJADRO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccc(Br)cc1 ZINC001462942348 1068222617 /nfs/dbraw/zinc/22/26/17/1068222617.db2.gz FUFDCAVRFLLFCI-XZOQPEGZSA-N 1 0 450.380 4.723 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)COC2 ZINC001462942139 1068222735 /nfs/dbraw/zinc/22/27/35/1068222735.db2.gz HNHYUTIOHFUOAO-UHFFFAOYSA-N 1 0 457.423 4.556 20 0 JJADRO CCOc1ccc(S(=O)(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c2ccccc12 ZINC001462977088 1068235549 /nfs/dbraw/zinc/23/55/49/1068235549.db2.gz OBZYENTVJWHNRI-UHFFFAOYSA-N 1 0 452.620 4.568 20 0 JJADRO Cc1ccc(S(=O)(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc1Br ZINC001463039017 1068260082 /nfs/dbraw/zinc/26/00/82/1068260082.db2.gz WTBYUILTCJUEHV-KRWDZBQOSA-N 1 0 451.430 4.699 20 0 JJADRO COc1cc(C)c(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1Cl ZINC001463046344 1068263643 /nfs/dbraw/zinc/26/36/43/1068263643.db2.gz KJHCVWVTIQMBBG-UHFFFAOYSA-N 1 0 457.423 4.501 20 0 JJADRO COc1cc(Cl)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1Cl ZINC001463079592 1068280785 /nfs/dbraw/zinc/28/07/85/1068280785.db2.gz ZNDAHNGYLYXPTM-UHFFFAOYSA-N 1 0 457.423 4.857 20 0 JJADRO C[NH+](C)CCOc1ccc(CCC(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)cc1 ZINC001463120702 1068294598 /nfs/dbraw/zinc/29/45/98/1068294598.db2.gz GMSUMQCZVCQDLJ-JOCHJYFZSA-N 1 0 459.428 4.556 20 0 JJADRO CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001463175873 1068310220 /nfs/dbraw/zinc/31/02/20/1068310220.db2.gz NDTNZVUPYDIFPD-LDVROUIZSA-N 1 0 470.613 4.760 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1)CC1CC1 ZINC001546136927 1068315002 /nfs/dbraw/zinc/31/50/02/1068315002.db2.gz YCJNHJKGGGKIHY-UHFFFAOYSA-N 1 0 459.432 4.609 20 0 JJADRO CC(C)n1cc(Br)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC001463190038 1068315197 /nfs/dbraw/zinc/31/51/97/1068315197.db2.gz UMOXONWHZMJWJQ-RBBKRZOGSA-N 1 0 467.411 4.625 20 0 JJADRO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1Cl ZINC001463224359 1068326735 /nfs/dbraw/zinc/32/67/35/1068326735.db2.gz HKTUOASLZUFVMI-QFIPXVFZSA-N 1 0 453.435 4.979 20 0 JJADRO C[C@H](Cc1ccsc1)N(C)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001463242649 1068332627 /nfs/dbraw/zinc/33/26/27/1068332627.db2.gz ZTCCWNFISBKXQA-BTZRARBUSA-N 1 0 472.651 4.748 20 0 JJADRO CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001463278347 1068341958 /nfs/dbraw/zinc/34/19/58/1068341958.db2.gz DKGQKMMJAWPFMH-VWNXMTODSA-N 1 0 454.636 4.591 20 0 JJADRO CCCOc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1CC ZINC001463278434 1068342010 /nfs/dbraw/zinc/34/20/10/1068342010.db2.gz GLHNJVHCTLANMD-ILBGXUMGSA-N 1 0 456.652 4.713 20 0 JJADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)CC(C)C ZINC001463310804 1068351923 /nfs/dbraw/zinc/35/19/23/1068351923.db2.gz VHYAILANWKLNLS-CQSZACIVSA-N 1 0 459.372 4.503 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463344352 1068364409 /nfs/dbraw/zinc/36/44/09/1068364409.db2.gz UAPWTOONIDRODP-UEQSERJNSA-N 1 0 469.670 4.829 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 ZINC001463372752 1068375811 /nfs/dbraw/zinc/37/58/11/1068375811.db2.gz FOPJJMKBFNEYRG-CUBQBAPOSA-N 1 0 463.622 4.838 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc(COc4ccccc4Br)cc3)C[C@@H]2C1 ZINC001463386933 1068380935 /nfs/dbraw/zinc/38/09/35/1068380935.db2.gz FAMRNOLIZHWQPI-PCCBWWKXSA-N 1 0 457.412 4.830 20 0 JJADRO COc1cc(C(C)C)c(S(=O)(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1C ZINC001463457152 1068406060 /nfs/dbraw/zinc/40/60/60/1068406060.db2.gz GSVDPUXJERJNGY-UHFFFAOYSA-N 1 0 456.652 4.804 20 0 JJADRO CSc1ccc(CNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC001463552018 1068438800 /nfs/dbraw/zinc/43/88/00/1068438800.db2.gz VYXGMDZZQKMESF-IZZNHLLZSA-N 1 0 466.672 4.805 20 0 JJADRO COc1cccc([C@@H](CNC(=O)Cc2ccc(Br)c(Cl)c2)[NH+]2CCCC2)c1 ZINC001463558692 1068441644 /nfs/dbraw/zinc/44/16/44/1068441644.db2.gz RJBAJQZJJUCJQG-HXUWFJFHSA-N 1 0 451.792 4.607 20 0 JJADRO CC(C)c1ccc(N2CC[C@@H](C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)C2=O)cc1 ZINC001463573393 1068451851 /nfs/dbraw/zinc/45/18/51/1068451851.db2.gz OAFCEYJKQBEQPN-XZOQPEGZSA-N 1 0 453.652 4.814 20 0 JJADRO CCCCOc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C(C)C ZINC001463638898 1068478440 /nfs/dbraw/zinc/47/84/40/1068478440.db2.gz ZYASSGNBIXLDEO-ZRZAMGCNSA-N 1 0 456.652 4.741 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1cccs1 ZINC001463648806 1068480205 /nfs/dbraw/zinc/48/02/05/1068480205.db2.gz ZDDLGPPTQYEOPR-NRFANRHFSA-N 1 0 457.640 4.734 20 0 JJADRO COc1ccc([C@H](CNC(=O)c2cc3c(cccc3Br)[nH]2)[NH+]2CCCCC2)cc1 ZINC001463660965 1068486224 /nfs/dbraw/zinc/48/62/24/1068486224.db2.gz QHOBRMUGKJIURS-QFIPXVFZSA-N 1 0 456.384 4.896 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C(C)(C)C ZINC001463723764 1068504757 /nfs/dbraw/zinc/50/47/57/1068504757.db2.gz ITMWOPAUOYPJHK-HSZRJFAPSA-N 1 0 453.627 4.814 20 0 JJADRO COc1cccc([C@@H](CNC(=O)CCCSc2ccc(Br)cc2)[NH+](C)C)c1 ZINC001463760988 1068516127 /nfs/dbraw/zinc/51/61/27/1068516127.db2.gz BUDBEPHYBZVAJX-HXUWFJFHSA-N 1 0 451.430 4.749 20 0 JJADRO CC(C)(C)c1cc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC001463761965 1068516547 /nfs/dbraw/zinc/51/65/47/1068516547.db2.gz IDLFTMITOAEFLJ-UHFFFAOYSA-N 1 0 451.655 4.535 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)Cc1ccccc1 ZINC001463771100 1068519328 /nfs/dbraw/zinc/51/93/28/1068519328.db2.gz UOSOITKRXASZQU-FCHUYYIVSA-N 1 0 451.611 4.595 20 0 JJADRO COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001463787416 1068524194 /nfs/dbraw/zinc/52/41/94/1068524194.db2.gz UPJORKKZVZTHHK-UHFFFAOYSA-N 1 0 456.652 4.670 20 0 JJADRO CCc1ccc([C@H](CNS(=O)(=O)c2c(F)cccc2Br)[NH+](CC)CC)cc1 ZINC001463794251 1068526379 /nfs/dbraw/zinc/52/63/79/1068526379.db2.gz PSVJHDGVKMOKBT-IBGZPJMESA-N 1 0 457.409 4.512 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)CCC[C@H]12 ZINC001463793947 1068526404 /nfs/dbraw/zinc/52/64/04/1068526404.db2.gz DFYQOXAMJILHCP-SQJMNOBHSA-N 1 0 462.034 4.600 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)(C)C ZINC001463795166 1068526933 /nfs/dbraw/zinc/52/69/33/1068526933.db2.gz JGWZNQCEDIHLRA-HXUWFJFHSA-N 1 0 452.039 4.750 20 0 JJADRO O=C(c1cc(O)cc(Br)c1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463825246 1068536828 /nfs/dbraw/zinc/53/68/28/1068536828.db2.gz UMMLKWXNOGJCPJ-UHFFFAOYSA-N 1 0 457.290 4.522 20 0 JJADRO CC[C@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC001463826123 1068538269 /nfs/dbraw/zinc/53/82/69/1068538269.db2.gz PJGZVEXNQKAOHG-HYBUGGRVSA-N 1 0 450.023 4.773 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1(C)C ZINC001463838713 1068542957 /nfs/dbraw/zinc/54/29/57/1068542957.db2.gz RNSZEKHLFJYINS-MISYRCLQSA-N 1 0 450.023 4.533 20 0 JJADRO O=C(C[C@]12CCCC[C@H]1C2(F)F)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463840226 1068543999 /nfs/dbraw/zinc/54/39/99/1068543999.db2.gz PQGTUODSXQVAFE-TZIWHRDSSA-N 1 0 459.503 4.549 20 0 JJADRO CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC001463868387 1068551212 /nfs/dbraw/zinc/55/12/12/1068551212.db2.gz AUCLIZUBIUPYRX-UHFFFAOYSA-N 1 0 454.617 4.945 20 0 JJADRO CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001546142433 1068554585 /nfs/dbraw/zinc/55/45/85/1068554585.db2.gz JXBKNMFHTKUYNT-HXUWFJFHSA-N 1 0 474.694 4.550 20 0 JJADRO CC[C@H](CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)CC(F)(F)F ZINC001463894119 1068557620 /nfs/dbraw/zinc/55/76/20/1068557620.db2.gz NBGGDZATVJBXOR-AJSBUHFISA-N 1 0 468.585 4.861 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC001463911699 1068562401 /nfs/dbraw/zinc/56/24/01/1068562401.db2.gz FMNRLFQJCYOTEB-HSZRJFAPSA-N 1 0 459.565 4.915 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](OC)c1ccccc1Br)c1ccccc1Cl ZINC001463912149 1068562729 /nfs/dbraw/zinc/56/27/29/1068562729.db2.gz HETXAAKSIPTLCI-VQTJNVASSA-N 1 0 453.808 4.989 20 0 JJADRO CCCc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccccc3Cl)[NH+](CC)CC)CC2=O)cc1 ZINC001463912094 1068562767 /nfs/dbraw/zinc/56/27/67/1068562767.db2.gz IJLAEKCBWQMRDC-GBXCKJPGSA-N 1 0 456.030 4.845 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[C@@H](C4CC4)N3C(=O)OC(C)(C)C)cc2)CC1 ZINC001464016329 1068589953 /nfs/dbraw/zinc/58/99/53/1068589953.db2.gz AUTLADKXYFWELC-ZEQRLZLVSA-N 1 0 455.643 4.713 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3c(NC(=O)OC(C)(C)C)cnn3C)cc2)C1 ZINC001464016794 1068590101 /nfs/dbraw/zinc/59/01/01/1068590101.db2.gz FDJXEZADFBGDQB-SFHVURJKSA-N 1 0 455.603 4.570 20 0 JJADRO CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001464020922 1068591082 /nfs/dbraw/zinc/59/10/82/1068591082.db2.gz YWZYQJDEIVJGKY-MRXNPFEDSA-N 1 0 459.384 4.901 20 0 JJADRO O=C(CCC(=O)c1cccc(F)c1)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001464073746 1068605682 /nfs/dbraw/zinc/60/56/82/1068605682.db2.gz NEJYPJLENTZPTF-UHFFFAOYSA-N 1 0 459.565 4.745 20 0 JJADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001464072182 1068605788 /nfs/dbraw/zinc/60/57/88/1068605788.db2.gz HZMYJSCVYZCUDR-CQSZACIVSA-N 1 0 450.366 4.556 20 0 JJADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001464095647 1068613461 /nfs/dbraw/zinc/61/34/61/1068613461.db2.gz MXCNAWIZJXOAFU-QGZVFWFLSA-N 1 0 458.331 4.638 20 0 JJADRO Cc1cccc(Oc2ccc(C(=O)NCCCC[NH+]3CCN(c4cccc(C)c4)CC3)nc2)c1 ZINC001464099616 1068614618 /nfs/dbraw/zinc/61/46/18/1068614618.db2.gz GLIPBFZBQIOHFT-UHFFFAOYSA-N 1 0 458.606 4.823 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cc(F)c(C(F)(F)F)c(F)c3)CC2)c1 ZINC001464100389 1068615295 /nfs/dbraw/zinc/61/52/95/1068615295.db2.gz IQUNJXQMSAAUIG-UHFFFAOYSA-N 1 0 455.471 4.624 20 0 JJADRO COc1ccccc1Nc1ccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC001464100181 1068615332 /nfs/dbraw/zinc/61/53/32/1068615332.db2.gz UAARRRPSAXCSAQ-AREMUKBSSA-N 1 0 458.606 4.547 20 0 JJADRO CC[C@H](CNC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC001464101829 1068616035 /nfs/dbraw/zinc/61/60/35/1068616035.db2.gz SDSFTTXHABODTE-OAQYLSRUSA-N 1 0 456.512 4.766 20 0 JJADRO CC[C@H](CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC001464101665 1068616091 /nfs/dbraw/zinc/61/60/91/1068616091.db2.gz QXROTIUKIWUOJY-HXUWFJFHSA-N 1 0 457.018 4.827 20 0 JJADRO O=C(CCOc1ccc(Cl)cc1Br)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001464103251 1068616874 /nfs/dbraw/zinc/61/68/74/1068616874.db2.gz XRXWCAJHELKVBI-UHFFFAOYSA-N 1 0 451.792 4.784 20 0 JJADRO CC[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001464103369 1068616924 /nfs/dbraw/zinc/61/69/24/1068616924.db2.gz YIOOIWWBVOWOGW-RPWUZVMVSA-N 1 0 451.611 4.514 20 0 JJADRO Cc1ccc2[nH]c(C(=O)NCCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1 ZINC001464120812 1068621768 /nfs/dbraw/zinc/62/17/68/1068621768.db2.gz LBVDURCVZXTISK-UHFFFAOYSA-N 1 0 458.528 4.827 20 0 JJADRO Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001464122993 1068623194 /nfs/dbraw/zinc/62/31/94/1068623194.db2.gz RZNZEVTYHCUAJL-VXKWHMMOSA-N 1 0 456.586 4.765 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CN(Cc3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 ZINC001464125112 1068624321 /nfs/dbraw/zinc/62/43/21/1068624321.db2.gz YSCVWPRPUKHHFR-PSWAGMNNSA-N 1 0 457.618 4.619 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3c(Cl)cccc3Br)cc2)C[C@H](C)O1 ZINC001464124946 1068624378 /nfs/dbraw/zinc/62/43/78/1068624378.db2.gz XHOSZOORKHKYDO-GASCZTMLSA-N 1 0 451.792 4.642 20 0 JJADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC001464127943 1068625538 /nfs/dbraw/zinc/62/55/38/1068625538.db2.gz ZHLMIFCNRGBNDF-UHFFFAOYSA-N 1 0 454.467 4.832 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)CCCOc3cccc(Cl)c3Cl)cc2)CC1 ZINC001464129912 1068626561 /nfs/dbraw/zinc/62/65/61/1068626561.db2.gz ICTVARRSYNTAHW-UHFFFAOYSA-N 1 0 450.410 4.929 20 0 JJADRO CCN(CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccsc1 ZINC001464138139 1068630533 /nfs/dbraw/zinc/63/05/33/1068630533.db2.gz CMXVWHFXJQSSNI-QHCPKHFHSA-N 1 0 456.633 4.535 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)C1 ZINC001464154051 1068634888 /nfs/dbraw/zinc/63/48/88/1068634888.db2.gz MICMPCKPBOAVFK-SFHVURJKSA-N 1 0 453.583 4.901 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3=Cc4cc(Br)ccc4OC3)cc2)C1 ZINC001464155467 1068635719 /nfs/dbraw/zinc/63/57/19/1068635719.db2.gz UBNGTPQGOYYAPB-KRWDZBQOSA-N 1 0 455.396 4.773 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)C1 ZINC001464154795 1068635799 /nfs/dbraw/zinc/63/57/99/1068635799.db2.gz QDCGYRRSWOLRJF-OFNKIYASSA-N 1 0 455.643 4.572 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)cc2)CC1 ZINC001464157479 1068636298 /nfs/dbraw/zinc/63/62/98/1068636298.db2.gz HAHVMXPLGQSYGW-QHCPKHFHSA-N 1 0 458.650 4.782 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3csc(-c4ccccc4Cl)n3)cc2)CC1 ZINC001464162192 1068638402 /nfs/dbraw/zinc/63/84/02/1068638402.db2.gz VWGBSECBCHOJGP-UHFFFAOYSA-N 1 0 455.027 4.531 20 0 JJADRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464162428 1068639001 /nfs/dbraw/zinc/63/90/01/1068639001.db2.gz WTLPJWBRFCHEDO-WZONZLPQSA-N 1 0 452.624 4.725 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC001464191887 1068650174 /nfs/dbraw/zinc/65/01/74/1068650174.db2.gz FOWCRXWUAZWUGC-SAHWJRBASA-N 1 0 457.412 4.547 20 0 JJADRO COc1ccc(C2(C(=O)NCc3ccccc3C[NH+]3C[C@H](C)C[C@@H](C)C3)CCC2)cc1OC ZINC001464192077 1068650884 /nfs/dbraw/zinc/65/08/84/1068650884.db2.gz GZGMPAHFTFINOH-NHCUHLMSSA-N 1 0 450.623 4.920 20 0 JJADRO COc1ccc(C2(C(=O)NCc3ccccc3C[N@H+]3C[C@H](C)C[C@H](C)C3)CCC2)cc1OC ZINC001464192079 1068650976 /nfs/dbraw/zinc/65/09/76/1068650976.db2.gz GZGMPAHFTFINOH-OYRHEFFESA-N 1 0 450.623 4.920 20 0 JJADRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cn1 ZINC001464197800 1068652807 /nfs/dbraw/zinc/65/28/07/1068652807.db2.gz DTIUURLWOVRWIN-GGXMVOPNSA-N 1 0 456.634 4.634 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001464198078 1068652826 /nfs/dbraw/zinc/65/28/26/1068652826.db2.gz FNPLMDOOEYEPSP-UHFFFAOYSA-N 1 0 458.356 4.676 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC001464200883 1068654142 /nfs/dbraw/zinc/65/41/42/1068654142.db2.gz VWVRLMIIGYALDN-UHFFFAOYSA-N 1 0 459.363 4.544 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(Br)cc(Br)c1 ZINC001464200541 1068654164 /nfs/dbraw/zinc/65/41/64/1068654164.db2.gz TYUBGIIADSRKCW-UHFFFAOYSA-N 1 0 454.206 4.982 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C ZINC001464200095 1068654291 /nfs/dbraw/zinc/65/42/91/1068654291.db2.gz OREJHIXYPAYOKV-TUUBTQOTSA-N 1 0 457.659 4.863 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccnc(Cl)c2Br)C1 ZINC001464206135 1068656815 /nfs/dbraw/zinc/65/68/15/1068656815.db2.gz VZXPQNAVYGLGCA-GASCZTMLSA-N 1 0 450.808 4.905 20 0 JJADRO C[C@@H]1[C@H](C(=O)NC[C@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)CC[N@@H+]1C ZINC001464205886 1068656881 /nfs/dbraw/zinc/65/68/81/1068656881.db2.gz JENIMUKCMCHGGH-WIBUTAKZSA-N 1 0 452.451 4.611 20 0 JJADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Sc4ccc(Cl)cc4)o3)cn2)CC1 ZINC001464206717 1068657423 /nfs/dbraw/zinc/65/74/23/1068657423.db2.gz MXBDVZGLJTVSFX-UHFFFAOYSA-N 1 0 456.999 4.551 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3csc(CCC(F)(F)F)n3)cc2)C1 ZINC001464210385 1068659296 /nfs/dbraw/zinc/65/92/96/1068659296.db2.gz KAXXCBLWGXWXFL-IAGOWNOFSA-N 1 0 453.574 4.975 20 0 JJADRO CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001464211693 1068659329 /nfs/dbraw/zinc/65/93/29/1068659329.db2.gz ODGXKCCWVGUMLI-OOICKAIWSA-N 1 0 459.675 4.966 20 0 JJADRO COc1ccccc1-c1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c(=O)[nH]1 ZINC001464213382 1068660530 /nfs/dbraw/zinc/66/05/30/1068660530.db2.gz RNEREKAELWSWKH-WOJBJXKFSA-N 1 0 459.590 4.871 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2scc(Br)c2Br)C1 ZINC001464218120 1068661827 /nfs/dbraw/zinc/66/18/27/1068661827.db2.gz OHWFEFPTESCLLR-VXGBXAGGSA-N 1 0 452.256 4.761 20 0 JJADRO COc1ccc(SCCC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1OC ZINC001464219265 1068662438 /nfs/dbraw/zinc/66/24/38/1068662438.db2.gz YBHDLGCIMYWTIO-PMACEKPBSA-N 1 0 456.652 4.980 20 0 JJADRO Cc1nn(CC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001464230427 1068666331 /nfs/dbraw/zinc/66/63/31/1068666331.db2.gz FYJWYVHPLHAPDY-MRXNPFEDSA-N 1 0 453.553 4.510 20 0 JJADRO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464234111 1068667678 /nfs/dbraw/zinc/66/76/78/1068667678.db2.gz IYUAHWWBLIEUNG-UQBPGWFLSA-N 1 0 451.586 4.981 20 0 JJADRO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464239224 1068670672 /nfs/dbraw/zinc/67/06/72/1068670672.db2.gz SBCVYHXTYKMSET-DENIHFKCSA-N 1 0 451.586 4.839 20 0 JJADRO COc1ccc(S(=O)(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(Cl)c1Cl ZINC001464243203 1068673481 /nfs/dbraw/zinc/67/34/81/1068673481.db2.gz ZZOBJRBVPOTROF-QGZVFWFLSA-N 1 0 457.423 4.725 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)/C=C/c3ccc(I)o3)cc2)CC1 ZINC001464250394 1068675857 /nfs/dbraw/zinc/67/58/57/1068675857.db2.gz VUYGLUCXBBEPLG-VQHVLOKHSA-N 1 0 450.320 4.768 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cnn(-c3cccc(Br)c3)c2C)c1 ZINC001464267427 1068681993 /nfs/dbraw/zinc/68/19/93/1068681993.db2.gz XQPWPFCBIXVOCR-UHFFFAOYSA-N 1 0 455.400 4.715 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001464265933 1068681998 /nfs/dbraw/zinc/68/19/98/1068681998.db2.gz FQSZFGNDVUPOTD-UHFFFAOYSA-N 1 0 458.400 4.510 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(C)n(-c3ccccc3Br)n2)c1 ZINC001464267440 1068682037 /nfs/dbraw/zinc/68/20/37/1068682037.db2.gz YBLAELODIGBFDK-UHFFFAOYSA-N 1 0 455.400 4.715 20 0 JJADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001464274959 1068685529 /nfs/dbraw/zinc/68/55/29/1068685529.db2.gz VLZGFDLBNLDWDZ-DEOSSOPVSA-N 1 0 453.558 4.974 20 0 JJADRO C[NH+](C)CCOc1ccc(CCC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC001464277875 1068686951 /nfs/dbraw/zinc/68/69/51/1068686951.db2.gz TZVUMIMVUGSNQF-UHFFFAOYSA-N 1 0 455.986 4.760 20 0 JJADRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CC(=O)Nc3ccccc3F)Cc3ccc(Cl)cc3)C[N@@H+]2C1 ZINC001464280800 1068689275 /nfs/dbraw/zinc/68/92/75/1068689275.db2.gz JPVNFQURWWBGAV-LMNJBCLMSA-N 1 0 457.977 4.567 20 0 JJADRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CC(=O)Nc3ccccc3F)Cc3ccc(Cl)cc3)C[N@@H+]2C1 ZINC001464280812 1068689339 /nfs/dbraw/zinc/68/93/39/1068689339.db2.gz JPVNFQURWWBGAV-QFUCXCTJSA-N 1 0 457.977 4.567 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)[NH+]1CCCCC1 ZINC001464327319 1068707494 /nfs/dbraw/zinc/70/74/94/1068707494.db2.gz CJQDOYXUNKGBNC-AXDNMFEOSA-N 1 0 454.567 4.600 20 0 JJADRO Cc1cc(C(F)(F)F)n2nc(C(=O)NCc3ccccc3C[N@@H+](C)C3CCCCC3)cc2n1 ZINC001464398854 1068732032 /nfs/dbraw/zinc/73/20/32/1068732032.db2.gz AUBVMRSNKLNGAB-UHFFFAOYSA-N 1 0 459.516 4.751 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001464399985 1068732464 /nfs/dbraw/zinc/73/24/64/1068732464.db2.gz DRELXMHYJGJPGM-LADGPHEKSA-N 1 0 458.643 4.594 20 0 JJADRO O=C(CCCc1ccccc1Br)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC001464451852 1068751169 /nfs/dbraw/zinc/75/11/69/1068751169.db2.gz ZDZPWGDDWAVXFZ-UHFFFAOYSA-N 1 0 456.428 4.943 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc4[nH]c(=O)n(C(C)C)c4c3)cc2Cl)CC1 ZINC001464462619 1068755314 /nfs/dbraw/zinc/75/53/14/1068755314.db2.gz GNXRLEHZSCWCNJ-UHFFFAOYSA-N 1 0 455.990 4.761 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3c[nH]nc3-c3ccc(OC)cc3)cc2Cl)CC1 ZINC001464469480 1068757799 /nfs/dbraw/zinc/75/77/99/1068757799.db2.gz QOLUSBKALIHEQO-UHFFFAOYSA-N 1 0 453.974 4.523 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001464490248 1068764705 /nfs/dbraw/zinc/76/47/05/1068764705.db2.gz BAQGUCVPUBBKNQ-HSZRJFAPSA-N 1 0 457.659 4.803 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC001464490476 1068764733 /nfs/dbraw/zinc/76/47/33/1068764733.db2.gz DNRBSMMMEZIIIU-QGZVFWFLSA-N 1 0 451.320 4.664 20 0 JJADRO CC(C)(CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001464492745 1068765746 /nfs/dbraw/zinc/76/57/46/1068765746.db2.gz NDFYRGOIQCJBOV-AREMUKBSSA-N 1 0 455.602 4.501 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnc(C2CCCC2)nc1N ZINC001464496169 1068766348 /nfs/dbraw/zinc/76/63/48/1068766348.db2.gz YENCWJZGZPSFHG-UHFFFAOYSA-N 1 0 450.414 4.617 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC001464501488 1068767609 /nfs/dbraw/zinc/76/76/09/1068767609.db2.gz XILWZBMYCDQZEL-LPHOPBHVSA-N 1 0 459.553 4.850 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC001464504184 1068768027 /nfs/dbraw/zinc/76/80/27/1068768027.db2.gz HHDKAQHOKHXXLZ-UHFFFAOYSA-N 1 0 453.808 4.748 20 0 JJADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC001464508557 1068768652 /nfs/dbraw/zinc/76/86/52/1068768652.db2.gz URPWAWCACSJHEI-UHFFFAOYSA-N 1 0 453.808 4.504 20 0 JJADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001464516650 1068770835 /nfs/dbraw/zinc/77/08/35/1068770835.db2.gz WSFVWYKYJIUZNA-UHFFFAOYSA-N 1 0 450.366 4.875 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001464518586 1068771128 /nfs/dbraw/zinc/77/11/28/1068771128.db2.gz MYJPRDAGCDGFCP-QGZVFWFLSA-N 1 0 450.549 4.858 20 0 JJADRO CCc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC001464536434 1068775121 /nfs/dbraw/zinc/77/51/21/1068775121.db2.gz AXHIOODTOXIKRI-JOCHJYFZSA-N 1 0 455.400 4.538 20 0 JJADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CC1 ZINC001464539447 1068776241 /nfs/dbraw/zinc/77/62/41/1068776241.db2.gz SKCLEUBFKACPSE-UHFFFAOYSA-N 1 0 456.427 4.515 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1[nH]nc2c1CCCC2)[NH+](C)C ZINC001464552308 1068779562 /nfs/dbraw/zinc/77/95/62/1068779562.db2.gz WBIFGPUADDOVAI-QFIPXVFZSA-N 1 0 451.442 4.753 20 0 JJADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001464555003 1068780069 /nfs/dbraw/zinc/78/00/69/1068780069.db2.gz UZEPSDYPNCFLMU-LJQANCHMSA-N 1 0 457.496 4.818 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCCCC(=O)c2ccc(F)cc2)CC1 ZINC001464560463 1068781933 /nfs/dbraw/zinc/78/19/33/1068781933.db2.gz LVBWCOCQKGIVIW-LJQANCHMSA-N 1 0 457.565 4.727 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)cc21 ZINC001464567900 1068784637 /nfs/dbraw/zinc/78/46/37/1068784637.db2.gz ZDIXPEDBEVYSTE-UHFFFAOYSA-N 1 0 453.608 4.785 20 0 JJADRO C[C@H](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464659782 1068814882 /nfs/dbraw/zinc/81/48/82/1068814882.db2.gz SRDWGQTZQGQAIY-LJQANCHMSA-N 1 0 458.647 4.805 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001464670517 1068819142 /nfs/dbraw/zinc/81/91/42/1068819142.db2.gz PPRCKWHPVWEOKZ-JQYIIUTOSA-N 1 0 480.628 4.734 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)[NH+]2CCCC2)o1 ZINC001464683052 1068823640 /nfs/dbraw/zinc/82/36/40/1068823640.db2.gz KWZHAXMBSCTAEW-OAQYLSRUSA-N 1 0 453.974 4.959 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)[NH+]2CCCC2)o1 ZINC001464683045 1068823967 /nfs/dbraw/zinc/82/39/67/1068823967.db2.gz KWZHAXMBSCTAEW-NRFANRHFSA-N 1 0 453.974 4.959 20 0 JJADRO CC1CC[NH+](Cc2cccc(CNC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC001464702872 1068830340 /nfs/dbraw/zinc/83/03/40/1068830340.db2.gz OUJIEVDGNCLWSS-UHFFFAOYSA-N 1 0 455.602 4.632 20 0 JJADRO COc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000040567741 563146118 /nfs/dbraw/zinc/14/61/18/563146118.db2.gz CYLIAPTVMNVPET-UHFFFAOYSA-N 1 0 452.576 4.638 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cccc(F)c4)s3)CC2)cc1 ZINC000045193676 563176777 /nfs/dbraw/zinc/17/67/77/563176777.db2.gz UBJBUDCSLZWPNM-UHFFFAOYSA-N 1 0 451.567 4.907 20 0 JJADRO FC(F)(c1ccc(-c2nc(Cl)nc3sc4c(c32)CCC4)cc1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164389837 718825750 /nfs/dbraw/zinc/82/57/50/718825750.db2.gz JURNFECOIQUCQT-IRXDYDNUSA-N 1 0 476.980 4.612 20 0 JJADRO FC(F)(c1ccc(-c2nc(Cl)nc3sc4c(c32)CCC4)cc1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389836 718825887 /nfs/dbraw/zinc/82/58/87/718825887.db2.gz JURNFECOIQUCQT-IAGOWNOFSA-N 1 0 476.980 4.612 20 0 JJADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)cnc1Cl ZINC001164406366 718865220 /nfs/dbraw/zinc/86/52/20/718865220.db2.gz GMPAQWCYOKIHEV-SCLBCKFNSA-N 1 0 461.862 4.780 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001164414360 718881478 /nfs/dbraw/zinc/88/14/78/718881478.db2.gz SATAFTPSLWUNGB-MRXNPFEDSA-N 1 0 455.594 4.803 20 0 JJADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c2ccccc21 ZINC001164424005 718943320 /nfs/dbraw/zinc/94/33/20/718943320.db2.gz MDGNHHGMFKHEOM-RXVVDRJESA-N 1 0 465.935 4.909 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](c4ccccc4)C(=O)N3CCOC)CC2)nc1 ZINC001164430694 718954834 /nfs/dbraw/zinc/95/48/34/718954834.db2.gz WGOKIACMLSLICQ-IZZNHLLZSA-N 1 0 476.665 4.630 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164614516 719008218 /nfs/dbraw/zinc/00/82/18/719008218.db2.gz FTSVQFWKCDYTCN-VGOFRKELSA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164615173 719009210 /nfs/dbraw/zinc/00/92/10/719009210.db2.gz HGHFBRMETVOWBO-VGOFRKELSA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)CC2)CC1 ZINC001164617517 719027833 /nfs/dbraw/zinc/02/78/33/719027833.db2.gz NBZSYTVURTXUPL-UHFFFAOYSA-N 1 0 487.378 4.725 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccc(F)cc4)nc4ccccc43)CC2)CC1 ZINC001164617632 719031976 /nfs/dbraw/zinc/03/19/76/719031976.db2.gz OIAYNODWLLLSMF-UHFFFAOYSA-N 1 0 462.569 4.680 20 0 JJADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164628702 719043252 /nfs/dbraw/zinc/04/32/52/719043252.db2.gz ZDTWLGXKLNZRQA-OFVILXPXSA-N 1 0 498.961 4.615 20 0 JJADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164628703 719043475 /nfs/dbraw/zinc/04/34/75/719043475.db2.gz ZDTWLGXKLNZRQA-PXDATVDWSA-N 1 0 498.961 4.615 20 0 JJADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164618499 719068345 /nfs/dbraw/zinc/06/83/45/719068345.db2.gz AXKZUKFFYKBCPN-FGZHOGPDSA-N 1 0 458.997 4.629 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629867 719102546 /nfs/dbraw/zinc/10/25/46/719102546.db2.gz TZAOTUQRXUFJQE-ICSRJNTNSA-N 1 0 455.940 4.838 20 0 JJADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]2CF)CC1 ZINC001164625390 719121314 /nfs/dbraw/zinc/12/13/14/719121314.db2.gz XFFFYGQORORSNQ-PZJWPPBQSA-N 1 0 465.642 4.857 20 0 JJADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]2CF)CC1 ZINC001164625383 719121356 /nfs/dbraw/zinc/12/13/56/719121356.db2.gz XFFFYGQORORSNQ-CTNGQTDRSA-N 1 0 465.642 4.857 20 0 JJADRO C[NH+]1CCN(c2cccc(N3CCC(O[C@H](c4ccc(Cl)cc4)c4ccccn4)CC3)n2)CC1 ZINC001164622427 719130500 /nfs/dbraw/zinc/13/05/00/719130500.db2.gz OTUFMFUCKICERT-HHHXNRCGSA-N 1 0 478.040 4.657 20 0 JJADRO COc1ccc(-c2csc3nc(-c4cccnc4)nc(N4C[C@@H](C)[N@H+](C)C[C@@H]4C)c23)cc1OC ZINC001164635978 719237656 /nfs/dbraw/zinc/23/76/56/719237656.db2.gz RODRCUTWVCKEGG-SJORKVTESA-N 1 0 475.618 4.966 20 0 JJADRO COc1ccc(-c2csc3nc(-c4cccnc4)nc(N4C[C@@H](C)[N@H+](C)C[C@H]4C)c23)cc1OC ZINC001164635973 719238010 /nfs/dbraw/zinc/23/80/10/719238010.db2.gz RODRCUTWVCKEGG-IAGOWNOFSA-N 1 0 475.618 4.966 20 0 JJADRO CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@H]3O2)n1 ZINC001164634984 719263816 /nfs/dbraw/zinc/26/38/16/719263816.db2.gz HGPPRMKWWQYYMI-VOQZNFBZSA-N 1 0 489.998 4.927 20 0 JJADRO Fc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164656410 719296744 /nfs/dbraw/zinc/29/67/44/719296744.db2.gz XCJWPEBSPSEABD-AMGIVPHBSA-N 1 0 494.014 4.834 20 0 JJADRO CC(C)N(C)Cc1nn(-c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164680606 719638764 /nfs/dbraw/zinc/63/87/64/719638764.db2.gz YCRKLWBJEXCBBE-UHFFFAOYSA-N 1 0 495.606 4.898 20 0 JJADRO Cc1cc(C(F)(F)N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc(Cl)n1 ZINC001164680374 719657511 /nfs/dbraw/zinc/65/75/11/719657511.db2.gz GBIUINFGVMGGDN-LJQANCHMSA-N 1 0 491.026 4.682 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4c(F)cccc43)CC2)c2ccccc21 ZINC001164686813 719666052 /nfs/dbraw/zinc/66/60/52/719666052.db2.gz XAOOCIUDUCLQND-SFHVURJKSA-N 1 0 496.030 4.516 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cnc(Cl)c(F)c3)CC2)c2ccccc21 ZINC001164680450 719667126 /nfs/dbraw/zinc/66/71/26/719667126.db2.gz FIABHYNBCQNGCK-KRWDZBQOSA-N 1 0 494.989 4.512 20 0 JJADRO CSc1nc2ccsc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686835 719667190 /nfs/dbraw/zinc/66/71/90/719667190.db2.gz XJACHEKTAWKPME-SFHVURJKSA-N 1 0 495.718 4.507 20 0 JJADRO Cc1sc2nc(C)nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1C ZINC001164684634 719668002 /nfs/dbraw/zinc/66/80/02/719668002.db2.gz UZDAEPZBVKZWPO-NRFANRHFSA-N 1 0 491.705 4.710 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cc(Cl)ncc3F)CC2)c2ccccc21 ZINC001164681167 719668043 /nfs/dbraw/zinc/66/80/43/719668043.db2.gz KJGBOYAJQSCBNL-KRWDZBQOSA-N 1 0 494.989 4.512 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)cc(C(C)(C)C)n3)CC2)c2ccccc21 ZINC001164680816 719675475 /nfs/dbraw/zinc/67/54/75/719675475.db2.gz HUFCVVWUNIFCSA-LJQANCHMSA-N 1 0 484.088 4.521 20 0 JJADRO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164687148 719681748 /nfs/dbraw/zinc/68/17/48/719681748.db2.gz PYBITWKJBQSZRE-FQEVSTJZSA-N 1 0 484.088 4.655 20 0 JJADRO CCOC(=O)c1sc2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2c1C ZINC001164692956 719803392 /nfs/dbraw/zinc/80/33/92/719803392.db2.gz QUJHEPFYIJIBSV-UHFFFAOYSA-N 1 0 471.652 4.576 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4c2ncn4Cc2ccccc2)CC3)cs1 ZINC001164694522 719806761 /nfs/dbraw/zinc/80/67/61/719806761.db2.gz ZKCQAZIYIJNFJW-UHFFFAOYSA-N 1 0 494.068 4.928 20 0 JJADRO COc1cc2nc(Cl)c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)nc2cc1OC ZINC001164693810 719809271 /nfs/dbraw/zinc/80/92/71/719809271.db2.gz RKXPSJDXOIPPNL-UHFFFAOYSA-N 1 0 474.030 4.700 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc(Oc4ccc(F)cc4)n2)CC3)cs1 ZINC001164694493 719810527 /nfs/dbraw/zinc/81/05/27/719810527.db2.gz YYRGHEJKOIURSR-UHFFFAOYSA-N 1 0 474.993 4.856 20 0 JJADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2c1 ZINC001164691298 719812327 /nfs/dbraw/zinc/81/23/27/719812327.db2.gz DYXUSKITUOACFZ-UHFFFAOYSA-N 1 0 486.041 4.860 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)CC3)cs1 ZINC001164693569 719814675 /nfs/dbraw/zinc/81/46/75/719814675.db2.gz WLNPLZRUMNYSEU-UHFFFAOYSA-N 1 0 477.634 4.705 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)nc(-c4ccc(Cl)nc4)n2)CC3)cs1 ZINC001164693488 719815762 /nfs/dbraw/zinc/81/57/62/719815762.db2.gz VNUQLTZJTPKKHR-UHFFFAOYSA-N 1 0 455.031 4.900 20 0 JJADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694933 719888534 /nfs/dbraw/zinc/88/85/34/719888534.db2.gz HOPHQPUPZZFGGU-UHFFFAOYSA-N 1 0 464.969 4.761 20 0 JJADRO Fc1ccc2nc(C(F)(F)N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc(Cl)c2c1 ZINC001164695305 719892289 /nfs/dbraw/zinc/89/22/89/719892289.db2.gz MNUFBNAPIMDRPU-UHFFFAOYSA-N 1 0 482.959 4.900 20 0 JJADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nc(-c5cccnc5)nc5ccccc54)CC3)C2)c1 ZINC001164697020 719897518 /nfs/dbraw/zinc/89/75/18/719897518.db2.gz IYCDMLXMXHZWRN-UHFFFAOYSA-N 1 0 457.603 4.625 20 0 JJADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164705337 719899595 /nfs/dbraw/zinc/89/95/95/719899595.db2.gz ADBKJGFWZNYKQB-UHFFFAOYSA-N 1 0 464.969 4.761 20 0 JJADRO Fc1ccc(COc2cccnc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001164707490 719899603 /nfs/dbraw/zinc/89/96/03/719899603.db2.gz RLCJXLWDGCWKHV-UHFFFAOYSA-N 1 0 453.583 4.733 20 0 JJADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164707525 719899709 /nfs/dbraw/zinc/89/97/09/719899709.db2.gz SQYDSHOAIQXEMX-UHFFFAOYSA-N 1 0 458.990 4.869 20 0 JJADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706250 719905932 /nfs/dbraw/zinc/90/59/32/719905932.db2.gz GKCHNVKOSLAKMX-UHFFFAOYSA-N 1 0 474.989 4.994 20 0 JJADRO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001164705851 719907344 /nfs/dbraw/zinc/90/73/44/719907344.db2.gz DGRUPZGIJHHBIV-UHFFFAOYSA-N 1 0 487.025 4.864 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164712641 720097122 /nfs/dbraw/zinc/09/71/22/720097122.db2.gz XMDSMGYBUCXBPW-GOSISDBHSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)C2 ZINC001164811144 720110229 /nfs/dbraw/zinc/11/02/29/720110229.db2.gz LTRAUUMGGJNBHA-ABYGYWHVSA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164808186 720111661 /nfs/dbraw/zinc/11/16/61/720111661.db2.gz DVWDMKSUOGJMHP-YCRPNKLZSA-N 1 0 487.378 4.546 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164719461 720113398 /nfs/dbraw/zinc/11/33/98/720113398.db2.gz XGPJCXTXDAFUNB-HXUWFJFHSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)CC2 ZINC001164719003 720116331 /nfs/dbraw/zinc/11/63/31/720116331.db2.gz URGBGCVTTLQSOT-CTNGQTDRSA-N 1 0 477.678 4.719 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CC[C@H](C)C4)CC2 ZINC001164719005 720116895 /nfs/dbraw/zinc/11/68/95/720116895.db2.gz URGBGCVTTLQSOT-FPOVZHCZSA-N 1 0 477.678 4.719 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164716036 720119331 /nfs/dbraw/zinc/11/93/31/720119331.db2.gz IRCMCOINFIWKSC-NRFANRHFSA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3c4ccccc4oc31)CC2 ZINC001164718040 720126982 /nfs/dbraw/zinc/12/69/82/720126982.db2.gz QQMBUKOQDRAGSG-NRFANRHFSA-N 1 0 457.578 4.587 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ccn3C(C)C)CC2 ZINC001164710374 720135849 /nfs/dbraw/zinc/13/58/49/720135849.db2.gz ABQYMYRMLHIJBK-FQEVSTJZSA-N 1 0 469.033 4.568 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164711623 720136494 /nfs/dbraw/zinc/13/64/94/720136494.db2.gz HMCLYSYCCHGSFF-AREMUKBSSA-N 1 0 495.627 4.627 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)CC2 ZINC001164711212 720137554 /nfs/dbraw/zinc/13/75/54/720137554.db2.gz GDBZBNHHKLUDEC-FQEVSTJZSA-N 1 0 477.012 4.667 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(OC)ccc3c(Cl)cc(Cl)nc31)C2 ZINC001164810436 720140466 /nfs/dbraw/zinc/14/04/66/720140466.db2.gz JRPNRIXAIREPKM-WAIKUNEKSA-N 1 0 450.410 4.735 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CC2 ZINC001164712505 720141795 /nfs/dbraw/zinc/14/17/95/720141795.db2.gz MXOKSRDSBCVTDQ-OAQYLSRUSA-N 1 0 498.002 4.964 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164714646 720143811 /nfs/dbraw/zinc/14/38/11/720143811.db2.gz XURUSQMSKWFMMR-JOCHJYFZSA-N 1 0 486.645 4.656 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164711244 720145610 /nfs/dbraw/zinc/14/56/10/720145610.db2.gz GJURCYFHESXIFP-IBGZPJMESA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164712667 720147638 /nfs/dbraw/zinc/14/76/38/720147638.db2.gz OETDWCRGACLNHE-JOCHJYFZSA-N 1 0 482.003 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c(F)cccc13)CC2 ZINC001164714487 720155017 /nfs/dbraw/zinc/15/50/17/720155017.db2.gz PSLDNKSZIGGZPP-LJQANCHMSA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)CC2 ZINC001164714843 720155075 /nfs/dbraw/zinc/15/50/75/720155075.db2.gz ZUKPLHLNSKAQEN-QGZVFWFLSA-N 1 0 487.378 4.716 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3scc(-c4cccs4)c31)C2 ZINC001164816899 720170351 /nfs/dbraw/zinc/17/03/51/720170351.db2.gz NPVLIRRFZFHHCF-HOYKHHGWSA-N 1 0 454.665 4.913 20 0 JJADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164812426 720183378 /nfs/dbraw/zinc/18/33/78/720183378.db2.gz ANYPVHXUQYAJHE-JIPXPUAJSA-N 1 0 478.662 4.689 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)C2 ZINC001164810753 720197620 /nfs/dbraw/zinc/19/76/20/720197620.db2.gz CNAOYXDFWDTQKN-HXOBKFHXSA-N 1 0 463.409 4.760 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164815261 720203876 /nfs/dbraw/zinc/20/38/76/720203876.db2.gz YAMYNMIOGDVKJS-SBUREZEXSA-N 1 0 480.962 4.666 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccc(Cl)cc3c(-c3ccccc3)n1)CCC2 ZINC001164812320 720237174 /nfs/dbraw/zinc/23/71/74/720237174.db2.gz FEFBASYYRBGGSL-UHFFFAOYSA-N 1 0 489.023 4.757 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)CC1 ZINC001164818933 720305928 /nfs/dbraw/zinc/30/59/28/720305928.db2.gz BTVLRUVVYLWPJW-GOTSBHOMSA-N 1 0 489.010 4.858 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)CC1 ZINC001164818932 720306413 /nfs/dbraw/zinc/30/64/13/720306413.db2.gz BTVLRUVVYLWPJW-DHIUTWEWSA-N 1 0 489.010 4.858 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3cc(Cl)c(Cl)cc3nc2Cl)CC1 ZINC001164827946 720307726 /nfs/dbraw/zinc/30/77/26/720307726.db2.gz YPKMIHFYEFKSLB-RBUKOAKNSA-N 1 0 482.843 4.502 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164826754 720339007 /nfs/dbraw/zinc/33/90/07/720339007.db2.gz KZKHTJDJIUVUIR-UXHICEINSA-N 1 0 495.718 4.948 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3ccccc3)nc(-c3cccs3)n2)CC1 ZINC001164831687 720344762 /nfs/dbraw/zinc/34/47/62/720344762.db2.gz ZNSYAXFMPYZWBM-DNQXCXABSA-N 1 0 487.673 4.784 20 0 JJADRO c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731521 720440798 /nfs/dbraw/zinc/44/07/98/720440798.db2.gz LKWVYERWTGUIKD-PKTZIBPZSA-N 1 0 488.705 4.804 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(C3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001164735496 720528834 /nfs/dbraw/zinc/52/88/34/720528834.db2.gz YRXRPFGZZSVHGV-QGZVFWFLSA-N 1 0 450.656 4.622 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccsc3)nc3sc4c(c32)CCCC4)C1 ZINC001164732437 720529024 /nfs/dbraw/zinc/52/90/24/720529024.db2.gz CNQXZVCIFNNRBA-INIZCTEOSA-N 1 0 464.664 4.693 20 0 JJADRO CC(C)c1ccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c(Cl)nn2)cc1 ZINC001164735560 720535565 /nfs/dbraw/zinc/53/55/65/720535565.db2.gz PNGKIVPZDWQSMS-QGZVFWFLSA-N 1 0 474.987 4.860 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164735568 720544338 /nfs/dbraw/zinc/54/43/38/720544338.db2.gz PPGWGBVUANWTHD-SFHVURJKSA-N 1 0 450.961 4.858 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164736011 720544704 /nfs/dbraw/zinc/54/47/04/720544704.db2.gz UFAVIHAXQWKTPD-AWEZNQCLSA-N 1 0 459.368 4.998 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834228 720545541 /nfs/dbraw/zinc/54/55/41/720545541.db2.gz CWTZEDLOPMRACB-UNWVZKJWSA-N 1 0 497.018 4.701 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164733756 720548775 /nfs/dbraw/zinc/54/87/75/720548775.db2.gz RNRNXQAQKSRALY-KRWDZBQOSA-N 1 0 468.951 4.997 20 0 JJADRO CSc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1Cl ZINC001164837392 720558237 /nfs/dbraw/zinc/55/82/37/720558237.db2.gz MFSQJVHOWIFWGD-BRWVUGGUSA-N 1 0 456.006 4.576 20 0 JJADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)CC2 ZINC001164728874 720570414 /nfs/dbraw/zinc/57/04/14/720570414.db2.gz OMYMQHPYCRVGFN-UHFFFAOYSA-N 1 0 453.590 4.669 20 0 JJADRO COc1ccc2c(c1)nc(N1CCc3ncc(C[NH+]4CCCC4)n3CC1)cc2-c1ccccc1 ZINC001164736299 720580937 /nfs/dbraw/zinc/58/09/37/720580937.db2.gz HJLGIFCYOBOVNS-UHFFFAOYSA-N 1 0 453.590 4.765 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842182 720581986 /nfs/dbraw/zinc/58/19/86/720581986.db2.gz UIIKYVRKWNMANW-GMQQYTKMSA-N 1 0 487.648 4.758 20 0 JJADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164836784 720589879 /nfs/dbraw/zinc/58/98/79/720589879.db2.gz GWLBNKDVELBPSU-TXPKVOOTSA-N 1 0 456.006 4.576 20 0 JJADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164836781 720590693 /nfs/dbraw/zinc/59/06/93/720590693.db2.gz GWLBNKDVELBPSU-GPMSIDNRSA-N 1 0 456.006 4.576 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164843252 720604585 /nfs/dbraw/zinc/60/45/85/720604585.db2.gz XAYGBVJBVLGZBO-XPWALMASSA-N 1 0 495.741 4.724 20 0 JJADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164840260 720604620 /nfs/dbraw/zinc/60/46/20/720604620.db2.gz POQBGAIMDIIBHP-TWJOJJKGSA-N 1 0 483.664 4.671 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835599 720610055 /nfs/dbraw/zinc/61/00/55/720610055.db2.gz BRZWGMIVJMRTLZ-ABSDTBQOSA-N 1 0 476.959 4.509 20 0 JJADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835297 720613938 /nfs/dbraw/zinc/61/39/38/720613938.db2.gz AYZBVAHCBLSHBL-BHIFYINESA-N 1 0 451.018 4.680 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842197 720617678 /nfs/dbraw/zinc/61/76/78/720617678.db2.gz UJLLDCAPRFTSLK-SESVDKBCSA-N 1 0 454.981 4.510 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4cccc5ccccc54)nn3)CC[C@@H]21 ZINC001164839497 720622714 /nfs/dbraw/zinc/62/27/14/720622714.db2.gz NLOWOPKLOOIBRJ-WCYRKSIYSA-N 1 0 452.606 4.871 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836591 720629590 /nfs/dbraw/zinc/62/95/90/720629590.db2.gz FXYJXJNDPLRIQR-IEIRFRATSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838324 720629701 /nfs/dbraw/zinc/62/97/01/720629701.db2.gz KTLYANVWOBVAGG-UNWVZKJWSA-N 1 0 486.998 4.916 20 0 JJADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164842760 720640601 /nfs/dbraw/zinc/64/06/01/720640601.db2.gz VMELROWVUSOTGC-KCZVDYSFSA-N 1 0 467.017 4.805 20 0 JJADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1 ZINC001164840458 720644494 /nfs/dbraw/zinc/64/44/94/720644494.db2.gz MPUNEOIEVQIQDJ-WOIUINJBSA-N 1 0 483.016 4.505 20 0 JJADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838118 720646167 /nfs/dbraw/zinc/64/61/67/720646167.db2.gz FGNROVZMEYIOBC-SLFFLAALSA-N 1 0 483.016 4.505 20 0 JJADRO CCOc1cc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OCC ZINC001164841845 720690267 /nfs/dbraw/zinc/69/02/67/720690267.db2.gz JJQIJBVMFDHNQX-QFIPXVFZSA-N 1 0 476.621 4.687 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164839826 720696004 /nfs/dbraw/zinc/69/60/04/720696004.db2.gz BYQJRZVEWXZBNT-VWLOTQADSA-N 1 0 485.607 4.879 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164841818 720697403 /nfs/dbraw/zinc/69/74/03/720697403.db2.gz JCNNVNFJGOROKR-HXUWFJFHSA-N 1 0 472.029 4.950 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)CC2 ZINC001164836447 720710608 /nfs/dbraw/zinc/71/06/08/720710608.db2.gz AQVVDMUOJPRGGY-NRFANRHFSA-N 1 0 499.993 4.997 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CCc3ccccc31)CC2 ZINC001164837059 720711395 /nfs/dbraw/zinc/71/13/95/720711395.db2.gz DCFLFYWOVCGOAG-VWLOTQADSA-N 1 0 482.628 4.544 20 0 JJADRO Cc1ccc(-c2nc3c(ncnc3N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)o2)cc1 ZINC001164840879 720715195 /nfs/dbraw/zinc/71/51/95/720715195.db2.gz RGFFDRKFIWFGDK-QHCPKHFHSA-N 1 0 469.589 4.853 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)CC2 ZINC001164836497 720717079 /nfs/dbraw/zinc/71/70/79/720717079.db2.gz BNGNZTQTCDOXSS-FQEVSTJZSA-N 1 0 499.993 4.997 20 0 JJADRO Cc1cc(OCc2ccccc2)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841014 720723232 /nfs/dbraw/zinc/72/32/32/720723232.db2.gz UHXIVDJRNLGSQY-VWLOTQADSA-N 1 0 458.606 4.624 20 0 JJADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164843430 720740344 /nfs/dbraw/zinc/74/03/44/720740344.db2.gz JOVPZDGFHISFIN-UHFFFAOYSA-N 1 0 458.944 4.591 20 0 JJADRO Clc1ccc(-c2nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1Cl ZINC001164741742 720783520 /nfs/dbraw/zinc/78/35/20/720783520.db2.gz MWPVRWITQKHGKF-ROUUACIJSA-N 1 0 493.398 4.736 20 0 JJADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741211 720834532 /nfs/dbraw/zinc/83/45/32/720834532.db2.gz DTEFHRBXWKLNNR-UWPQIUOOSA-N 1 0 494.643 4.785 20 0 JJADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741206 720834769 /nfs/dbraw/zinc/83/47/69/720834769.db2.gz DTEFHRBXWKLNNR-QXTIUPHPSA-N 1 0 494.643 4.785 20 0 JJADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746550 720845982 /nfs/dbraw/zinc/84/59/82/720845982.db2.gz OLKGYZHPMKCIAN-FMGHJNRGSA-N 1 0 464.617 4.873 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164753059 720861859 /nfs/dbraw/zinc/86/18/59/720861859.db2.gz VSUICSNHJFEIMZ-YCRNBWNJSA-N 1 0 491.030 4.520 20 0 JJADRO CC(C)c1cc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164754375 720868995 /nfs/dbraw/zinc/86/89/95/720868995.db2.gz RMKLMEOOXBIARB-WXVAWEFUSA-N 1 0 477.678 4.965 20 0 JJADRO Cc1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164754316 720871690 /nfs/dbraw/zinc/87/16/90/720871690.db2.gz REEXZNFSPFAKHB-LADGPHEKSA-N 1 0 476.999 4.738 20 0 JJADRO Fc1ccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755433 720874826 /nfs/dbraw/zinc/87/48/26/720874826.db2.gz WWUBVFLEBGJWCA-FNZWTVRRSA-N 1 0 482.003 4.572 20 0 JJADRO Fc1cccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164758825 720883354 /nfs/dbraw/zinc/88/33/54/720883354.db2.gz ZRHMTUJLRJBWNF-FQRUVTKNSA-N 1 0 482.003 4.572 20 0 JJADRO Cc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164758415 720887041 /nfs/dbraw/zinc/88/70/41/720887041.db2.gz XVTHCEVSVUCPDX-AJTFRIOCSA-N 1 0 478.040 4.742 20 0 JJADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750899 720888493 /nfs/dbraw/zinc/88/84/93/720888493.db2.gz CCRATUZWGFJIDP-CVDCTZTESA-N 1 0 480.962 4.569 20 0 JJADRO Clc1ccccc1-c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164752736 720897365 /nfs/dbraw/zinc/89/73/65/720897365.db2.gz FXPPMOORADCFCS-QDPGVEIFSA-N 1 0 490.051 4.947 20 0 JJADRO Cc1nc(C2CCCCC2)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753192 720904869 /nfs/dbraw/zinc/90/48/69/720904869.db2.gz QUIWQLMOZAQXMI-GGXMVOPNSA-N 1 0 475.681 4.983 20 0 JJADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749005 720910737 /nfs/dbraw/zinc/91/07/37/720910737.db2.gz HFEIQHARWYNQTP-WXVAWEFUSA-N 1 0 484.088 4.886 20 0 JJADRO CC(C)c1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164748544 720911963 /nfs/dbraw/zinc/91/19/63/720911963.db2.gz GURXFGIMUSRABH-SVEHJYQDSA-N 1 0 471.649 4.903 20 0 JJADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2cccs2)n1 ZINC001164748562 720921116 /nfs/dbraw/zinc/92/11/16/720921116.db2.gz GYCRJHMCLHUHRV-KCWPFWIISA-N 1 0 475.662 4.664 20 0 JJADRO CCOc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164753772 720922844 /nfs/dbraw/zinc/92/28/44/720922844.db2.gz SUGWXDSEHOTVIE-VIZCGCQYSA-N 1 0 499.659 4.692 20 0 JJADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754293 720928795 /nfs/dbraw/zinc/92/87/95/720928795.db2.gz WAUIJMXFZWSHEN-BHBYDHKZSA-N 1 0 499.659 4.514 20 0 JJADRO Fc1ccc2nc(C(F)F)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164752974 720928872 /nfs/dbraw/zinc/92/88/72/720928872.db2.gz PRDSACQKEBIZMO-NFQMXDRXSA-N 1 0 497.565 4.857 20 0 JJADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754294 720928908 /nfs/dbraw/zinc/92/89/08/720928908.db2.gz WAUIJMXFZWSHEN-FIBWVYCGSA-N 1 0 499.659 4.514 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)[C@H]2C ZINC001164860574 720977737 /nfs/dbraw/zinc/97/77/37/720977737.db2.gz OUXBVXIPSQZMQH-INIZCTEOSA-N 1 0 460.960 4.960 20 0 JJADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164857998 721002122 /nfs/dbraw/zinc/00/21/22/721002122.db2.gz GAFUBOAGJIBPOP-MRXNPFEDSA-N 1 0 455.990 4.683 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)[C@H]2C ZINC001164857989 721010205 /nfs/dbraw/zinc/01/02/05/721010205.db2.gz FAOZISCAFVTUJE-HJPURHCSSA-N 1 0 458.969 4.542 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccc(Cl)s3)nc3c1CCC3)[C@H]2C ZINC001164856751 721012986 /nfs/dbraw/zinc/01/29/86/721012986.db2.gz BRXAHSOAQFYMFE-HNNXBMFYSA-N 1 0 457.047 4.965 20 0 JJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)ccn4)CC3)CC2)cc1 ZINC001164758901 721043838 /nfs/dbraw/zinc/04/38/38/721043838.db2.gz DBRHGCMXZGBRRA-UHFFFAOYSA-N 1 0 469.633 4.554 20 0 JJADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1C ZINC001164760579 721045371 /nfs/dbraw/zinc/04/53/71/721045371.db2.gz WVVOKJPANUHZLE-UHFFFAOYSA-N 1 0 482.028 4.599 20 0 JJADRO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867389 721068091 /nfs/dbraw/zinc/06/80/91/721068091.db2.gz IRIAXSLYVUMIRG-PKTZIBPZSA-N 1 0 489.982 4.964 20 0 JJADRO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867808 721068735 /nfs/dbraw/zinc/06/87/35/721068735.db2.gz KMSQFDLJAJNMLR-CLJLJLNGSA-N 1 0 463.585 4.685 20 0 JJADRO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864418 721102109 /nfs/dbraw/zinc/10/21/09/721102109.db2.gz FVFHNASMSNZBOB-GOTSBHOMSA-N 1 0 489.982 4.964 20 0 JJADRO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164864263 721105299 /nfs/dbraw/zinc/10/52/99/721105299.db2.gz FFSMXNJUXLCNIF-DHIUTWEWSA-N 1 0 471.992 4.825 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164773813 721127029 /nfs/dbraw/zinc/12/70/29/721127029.db2.gz ZCZNQRYGQWINOS-SFTDATJTSA-N 1 0 458.997 4.642 20 0 JJADRO Clc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164878604 721139476 /nfs/dbraw/zinc/13/94/76/721139476.db2.gz QOMRZIMFQIYSEN-PKTZIBPZSA-N 1 0 471.992 4.825 20 0 JJADRO Clc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164878607 721139909 /nfs/dbraw/zinc/13/99/09/721139909.db2.gz QOMRZIMFQIYSEN-XZOQPEGZSA-N 1 0 471.992 4.825 20 0 JJADRO Clc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164878602 721140350 /nfs/dbraw/zinc/14/03/50/721140350.db2.gz QOMRZIMFQIYSEN-GOTSBHOMSA-N 1 0 471.992 4.825 20 0 JJADRO Cc1sc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164876495 721144710 /nfs/dbraw/zinc/14/47/10/721144710.db2.gz MTPFKEVCVDNIOP-FGZHOGPDSA-N 1 0 457.603 4.541 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164773672 721156545 /nfs/dbraw/zinc/15/65/45/721156545.db2.gz YNYYZERBUJXQOM-SFTDATJTSA-N 1 0 458.997 4.642 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)s1 ZINC001164871488 721159224 /nfs/dbraw/zinc/15/92/24/721159224.db2.gz DWVFHNFGHQGSHN-SFTDATJTSA-N 1 0 457.603 4.541 20 0 JJADRO c1ccc(-c2ccc(-c3ccc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164876366 721162670 /nfs/dbraw/zinc/16/26/70/721162670.db2.gz LVUDVJZOHIXLLY-RRPNLBNLSA-N 1 0 463.585 4.685 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@H]3C2)cn1 ZINC001164767801 721200192 /nfs/dbraw/zinc/20/01/92/721200192.db2.gz KPFDTKMKWUOGAI-RTBURBONSA-N 1 0 465.026 4.704 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164771887 721202186 /nfs/dbraw/zinc/20/21/86/721202186.db2.gz RSQSIRVZFCBVQH-QZTJIDSGSA-N 1 0 476.675 4.600 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164763380 721202368 /nfs/dbraw/zinc/20/23/68/721202368.db2.gz FQZFWEOZKGBZAY-OALUTQOASA-N 1 0 464.664 4.728 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@H]3C2)cn1 ZINC001164764912 721224487 /nfs/dbraw/zinc/22/44/87/721224487.db2.gz HCELJHFAKCEHGK-QZTJIDSGSA-N 1 0 475.946 4.778 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cnc2Cl)c1 ZINC001164762494 721247913 /nfs/dbraw/zinc/24/79/13/721247913.db2.gz LARDITWKIAHVEP-RTWAWAEBSA-N 1 0 471.983 4.947 20 0 JJADRO O=C(NC[C@@H]1CCC[C@@]2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164874114 721256049 /nfs/dbraw/zinc/25/60/49/721256049.db2.gz JHEKYKQPTHYERN-DHIFEGFHSA-N 1 0 496.655 4.588 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164875815 721259664 /nfs/dbraw/zinc/25/96/64/721259664.db2.gz MKRIWIWWHWFPFB-GEBXHLAXSA-N 1 0 476.665 4.967 20 0 JJADRO Cc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777427 721329759 /nfs/dbraw/zinc/32/97/59/721329759.db2.gz NBTXUZLJCNYDMZ-WXVAWEFUSA-N 1 0 476.024 4.613 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccnc(Cl)c4)ccn3)C2)C1 ZINC001164777360 721341428 /nfs/dbraw/zinc/34/14/28/721341428.db2.gz GLIBMTAGNLRPDY-RUZDIDTESA-N 1 0 468.001 4.521 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(C(C)(C)C)sc43)C2)C1 ZINC001164779493 721341905 /nfs/dbraw/zinc/34/19/05/721341905.db2.gz UHIFSTITNSIIME-RUZDIDTESA-N 1 0 469.655 4.713 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nnc3-c3ccccc3)C2)C1 ZINC001164779691 721350467 /nfs/dbraw/zinc/35/04/67/721350467.db2.gz UWASQMAYXUZQMD-VWLOTQADSA-N 1 0 468.001 4.521 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4ccc(Cl)cc4n3)C2)C1 ZINC001164784315 721357471 /nfs/dbraw/zinc/35/74/71/721357471.db2.gz RGYBWJRKPPOQHW-VWLOTQADSA-N 1 0 455.002 4.920 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)c4cccc(Cl)c4n3)C2)C1 ZINC001164780815 721360423 /nfs/dbraw/zinc/36/04/23/721360423.db2.gz HVELKTFEQXDDEF-RUZDIDTESA-N 1 0 455.002 4.920 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc(Cl)c(C)c4n3)C2)C1 ZINC001164782216 721361998 /nfs/dbraw/zinc/36/19/98/721361998.db2.gz LGXLHZCOJLZVNG-VWLOTQADSA-N 1 0 455.002 4.920 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccc(Cl)cc43)C2)C1 ZINC001164785202 721371252 /nfs/dbraw/zinc/37/12/52/721371252.db2.gz SJKFDGONGKNRCF-HSZRJFAPSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(Cl)ccc(F)c4n3)C2)C1 ZINC001164785382 721373907 /nfs/dbraw/zinc/37/39/07/721373907.db2.gz RWARZGFOJSRCOX-XMMPIXPASA-N 1 0 458.965 4.751 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c(F)cccc34)C2)C1 ZINC001164781967 721375111 /nfs/dbraw/zinc/37/51/11/721375111.db2.gz LBHLSYBDTOBODK-DEOSSOPVSA-N 1 0 458.965 4.751 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)nc1 ZINC001164783177 721386717 /nfs/dbraw/zinc/38/67/17/721386717.db2.gz NVEHIBIMWUZSPI-ZWEKWIFMSA-N 1 0 450.627 4.616 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164892469 721409782 /nfs/dbraw/zinc/40/97/82/721409782.db2.gz YJBMYLCWTJJNJK-NEKDWFFYSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C3)O2)CC1 ZINC001164890753 721433495 /nfs/dbraw/zinc/43/34/95/721433495.db2.gz FANFCXODMYHYEZ-LVXARBLLSA-N 1 0 498.096 4.777 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C3)O2)CC1 ZINC001164890754 721433508 /nfs/dbraw/zinc/43/35/08/721433508.db2.gz FANFCXODMYHYEZ-QFQXNSOFSA-N 1 0 498.096 4.777 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C3)O2)CC1 ZINC001164896840 721434340 /nfs/dbraw/zinc/43/43/40/721434340.db2.gz SFYZLHSYWGXBAA-HFZDXXHNSA-N 1 0 498.096 4.777 20 0 JJADRO COc1ccc2c(c1)nc(N1CC[C@]3(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O3)cc2-c1ccccc1 ZINC001164898355 721434804 /nfs/dbraw/zinc/43/48/04/721434804.db2.gz VTJKIZXKHANZFB-RNAHPLFWSA-N 1 0 486.660 4.676 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164892316 721444324 /nfs/dbraw/zinc/44/43/24/721444324.db2.gz ICXLXXBFDVFPSR-OFSOJUDTSA-N 1 0 489.708 4.957 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164785990 721451388 /nfs/dbraw/zinc/45/13/88/721451388.db2.gz LFKYOALFQRFBMD-GOSISDBHSA-N 1 0 478.411 4.667 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164789306 721458267 /nfs/dbraw/zinc/45/82/67/721458267.db2.gz WUFHMLSXWUEGCI-FQEVSTJZSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(SC)cnc1Cl)CC2 ZINC001164787910 721465220 /nfs/dbraw/zinc/46/52/20/721465220.db2.gz SWEWVKGAYNPGCJ-SFHVURJKSA-N 1 0 490.060 4.736 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164789974 721467334 /nfs/dbraw/zinc/46/73/34/721467334.db2.gz PRAFMTKXXKQQOA-QHCPKHFHSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164787365 721469095 /nfs/dbraw/zinc/46/90/95/721469095.db2.gz FDFVNJNTZASXCC-NRFANRHFSA-N 1 0 489.035 4.670 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164791306 721473832 /nfs/dbraw/zinc/47/38/32/721473832.db2.gz WXBATJAAJYPSMZ-FQEVSTJZSA-N 1 0 462.009 4.761 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164792469 721492744 /nfs/dbraw/zinc/49/27/44/721492744.db2.gz PFGZLEVXGPNVQD-UHFFFAOYSA-N 1 0 478.815 4.656 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164796379 721497733 /nfs/dbraw/zinc/49/77/33/721497733.db2.gz SGOBFSNFOBHAOQ-UHFFFAOYSA-N 1 0 468.964 4.732 20 0 JJADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164795763 721499543 /nfs/dbraw/zinc/49/95/43/721499543.db2.gz LTXACPBJLFHUBH-UHFFFAOYSA-N 1 0 480.012 4.736 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164795411 721500684 /nfs/dbraw/zinc/50/06/84/721500684.db2.gz GHRAYLBHJGTRJG-UHFFFAOYSA-N 1 0 468.045 4.637 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164795538 721504719 /nfs/dbraw/zinc/50/47/19/721504719.db2.gz LALVIHKWHGXWQX-UHFFFAOYSA-N 1 0 479.000 4.647 20 0 JJADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)CC[N@@H+]3C2)c1 ZINC001164910224 721561711 /nfs/dbraw/zinc/56/17/11/721561711.db2.gz WBHRVMZMWQTPHQ-CTNGQTDRSA-N 1 0 474.914 4.823 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3cnn(CC4CCOCC4)c3[C@H]2COCC)nc1 ZINC001164902190 721579071 /nfs/dbraw/zinc/57/90/71/721579071.db2.gz CHIVIIRJFHJNFE-CLJLJLNGSA-N 1 0 481.685 4.782 20 0 JJADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905516 721691890 /nfs/dbraw/zinc/69/18/90/721691890.db2.gz JQUGVMJGIUNNCQ-NRFANRHFSA-N 1 0 479.909 4.961 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)nc1 ZINC001165009268 721692256 /nfs/dbraw/zinc/69/22/56/721692256.db2.gz OIYYWOYQCCMYCC-DAHKTCFSSA-N 1 0 477.653 4.816 20 0 JJADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908685 721704694 /nfs/dbraw/zinc/70/46/94/721704694.db2.gz YNZGWWRQWQLQCG-FQEVSTJZSA-N 1 0 467.898 4.894 20 0 JJADRO FC1(F)CCN(c2ccc(-c3cccc(Cl)c3)nn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911781 721724737 /nfs/dbraw/zinc/72/47/37/721724737.db2.gz KJDGOONLDKCUKI-QHCPKHFHSA-N 1 0 455.940 4.930 20 0 JJADRO O=C(OCc1ccccc1)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913900 721728549 /nfs/dbraw/zinc/72/85/49/721728549.db2.gz ZJEIGHKMUQJLDK-SANMLTNESA-N 1 0 478.543 4.571 20 0 JJADRO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164912868 721733154 /nfs/dbraw/zinc/73/31/54/721733154.db2.gz QSDAHSOJFTYHCB-QHCPKHFHSA-N 1 0 470.955 4.633 20 0 JJADRO FC1(F)CCN(c2nc(-c3ccncc3)nc3sccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913833 721733319 /nfs/dbraw/zinc/73/33/19/721733319.db2.gz YSKWJTDWBRGKLD-XMMPIXPASA-N 1 0 478.572 4.886 20 0 JJADRO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164912865 721733367 /nfs/dbraw/zinc/73/33/67/721733367.db2.gz QSDAHSOJFTYHCB-HSZRJFAPSA-N 1 0 470.955 4.633 20 0 JJADRO Cc1cc(-c2ccccc2F)nnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913835 721735003 /nfs/dbraw/zinc/73/50/03/721735003.db2.gz YSZAZDFNDWUKMU-XMMPIXPASA-N 1 0 453.512 4.724 20 0 JJADRO FC1(F)CCN(c2c(Cl)nnc(Cl)c2N2CCCCC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912922 721739067 /nfs/dbraw/zinc/73/90/67/721739067.db2.gz RFDJPBCEWOWDFV-QFIPXVFZSA-N 1 0 497.421 4.906 20 0 JJADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccsc3)nc3sc4c(c32)CCCC4)CC1 ZINC001165012852 721747373 /nfs/dbraw/zinc/74/73/73/721747373.db2.gz OYXQVIWTMFOURD-UHFFFAOYSA-N 1 0 495.718 4.822 20 0 JJADRO Cc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001165012460 721747842 /nfs/dbraw/zinc/74/78/42/721747842.db2.gz IJCZBUZPEBHDER-UHFFFAOYSA-N 1 0 469.633 4.642 20 0 JJADRO COC(=O)c1cc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)cnc1Cl ZINC001165014959 721767472 /nfs/dbraw/zinc/76/74/72/721767472.db2.gz KKILIEXHMPMFGB-UHFFFAOYSA-N 1 0 458.852 4.578 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@H]21 ZINC001165019540 721801943 /nfs/dbraw/zinc/80/19/43/721801943.db2.gz CWPRSWNJBGATQC-OZOXKJRCSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@@H]21 ZINC001165017818 721804291 /nfs/dbraw/zinc/80/42/91/721804291.db2.gz ATBCJQUXQBKMSV-XUEUYAKLSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@H]21 ZINC001165026963 721805311 /nfs/dbraw/zinc/80/53/11/721805311.db2.gz SYDGXKIHUSFJFJ-NQHRYMMQSA-N 1 0 490.051 4.797 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1Cl ZINC001165019657 721806079 /nfs/dbraw/zinc/80/60/79/721806079.db2.gz DQKJHWTZLIKQEF-ZYSHUDEJSA-N 1 0 463.409 4.697 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1Cl ZINC001165019653 721806088 /nfs/dbraw/zinc/80/60/88/721806088.db2.gz DQKJHWTZLIKQEF-IPELMVKDSA-N 1 0 463.409 4.697 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C[C@H]21 ZINC001165018711 721806928 /nfs/dbraw/zinc/80/69/28/721806928.db2.gz BZTYFSNRSADTTM-MDNUFGMLSA-N 1 0 488.039 4.660 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@H]21 ZINC001165027172 721816545 /nfs/dbraw/zinc/81/65/45/721816545.db2.gz SVGWXPDAIBFNIG-DUXKGJEZSA-N 1 0 457.018 4.822 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C[C@H]21 ZINC001165018826 721818195 /nfs/dbraw/zinc/81/81/95/721818195.db2.gz AOIJOWQRGIGYQP-ZLGUVYLKSA-N 1 0 468.964 4.588 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C[C@H]21 ZINC001165030150 721821059 /nfs/dbraw/zinc/82/10/59/721821059.db2.gz YBKUSONOENEDNK-SKBVVQJISA-N 1 0 465.601 4.857 20 0 JJADRO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165028911 721823032 /nfs/dbraw/zinc/82/30/32/721823032.db2.gz VVIOMEBAAMYILP-SESVDKBCSA-N 1 0 479.650 4.617 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)C[C@H]21 ZINC001165027791 721823939 /nfs/dbraw/zinc/82/39/39/721823939.db2.gz UCKWUHLCYOMPOL-VAPDBKPJSA-N 1 0 450.590 4.824 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C[C@@H]21 ZINC001165019174 721825182 /nfs/dbraw/zinc/82/51/82/721825182.db2.gz BGAIDFXNIMQNKJ-RVSNTGDXSA-N 1 0 468.045 4.539 20 0 JJADRO COc1ccc2nc(C(F)(F)N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc(Cl)c2c1 ZINC001165026755 721825803 /nfs/dbraw/zinc/82/58/03/721825803.db2.gz QAUCNCRGQLDMRH-AQKFKSFVSA-N 1 0 487.982 4.969 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@@H]21 ZINC001165026768 721826250 /nfs/dbraw/zinc/82/62/50/721826250.db2.gz QCYDLXUVWRGMDS-HFSMHLIXSA-N 1 0 484.982 4.869 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@H]21 ZINC001165026767 721826473 /nfs/dbraw/zinc/82/64/73/721826473.db2.gz QCYDLXUVWRGMDS-FBBABVLZSA-N 1 0 484.982 4.869 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@H]21 ZINC001165028224 721830294 /nfs/dbraw/zinc/83/02/94/721830294.db2.gz UYXRHOYFFAASPN-ILZDJORESA-N 1 0 479.959 4.504 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@H]21 ZINC001165027824 721832566 /nfs/dbraw/zinc/83/25/66/721832566.db2.gz UCZFXGINUQKXLY-DJIMGWMZSA-N 1 0 479.000 4.503 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001165023247 721843559 /nfs/dbraw/zinc/84/35/59/721843559.db2.gz ZDKNMCGCYNEQMZ-UHFFFAOYSA-N 1 0 456.587 4.547 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(-c3ccccn3)nc3sccc32)CC1 ZINC001165031027 721844701 /nfs/dbraw/zinc/84/47/01/721844701.db2.gz OUEWXPBMUVTFHN-UHFFFAOYSA-N 1 0 475.618 4.871 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)nc(-c3ccc(Cl)nc3)n2)CC1 ZINC001165029756 721844897 /nfs/dbraw/zinc/84/48/97/721844897.db2.gz BOSYWJIPLJFCDH-UHFFFAOYSA-N 1 0 468.001 4.618 20 0 JJADRO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1-c1ccccc1 ZINC001164934666 721880205 /nfs/dbraw/zinc/88/02/05/721880205.db2.gz SVZOLCMGDNUVAD-GOTSBHOMSA-N 1 0 484.673 4.943 20 0 JJADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164933970 721890142 /nfs/dbraw/zinc/89/01/42/721890142.db2.gz NSJHPNFHPCAAKB-RBUKOAKNSA-N 1 0 489.920 4.575 20 0 JJADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164931144 721890302 /nfs/dbraw/zinc/89/03/02/721890302.db2.gz DBYBLFPKFVNCOB-RBUKOAKNSA-N 1 0 489.920 4.575 20 0 JJADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[NH+](C[C@H]5CCCO5)CC4)c23)c1 ZINC001165039248 721918696 /nfs/dbraw/zinc/91/86/96/721918696.db2.gz RYWPIXWMDNSOPE-LJQANCHMSA-N 1 0 483.707 4.707 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(C(=O)NC5CCCC5)cc4Cl)CC3)C2)cc1 ZINC001164940620 721931148 /nfs/dbraw/zinc/93/11/48/721931148.db2.gz UTSDPHDHFYQDSY-UHFFFAOYSA-N 1 0 483.056 4.587 20 0 JJADRO Fc1ccc2nc(C(F)(F)N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc(Cl)c2c1 ZINC001164952059 722016839 /nfs/dbraw/zinc/01/68/39/722016839.db2.gz GQPYAWXTDONMFT-UHFFFAOYSA-N 1 0 461.919 4.855 20 0 JJADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164956051 722021747 /nfs/dbraw/zinc/02/17/47/722021747.db2.gz VICMMLQQUJMEAL-UHFFFAOYSA-N 1 0 464.997 4.952 20 0 JJADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164960732 722059907 /nfs/dbraw/zinc/05/99/07/722059907.db2.gz JVWBCXIQPIHUNN-UHFFFAOYSA-N 1 0 492.023 4.501 20 0 JJADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962200 722060881 /nfs/dbraw/zinc/06/08/81/722060881.db2.gz POWASTANEFKOOA-UHFFFAOYSA-N 1 0 499.993 4.856 20 0 JJADRO Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164965600 722061858 /nfs/dbraw/zinc/06/18/58/722061858.db2.gz KZFSFWZAVUOTKX-UHFFFAOYSA-N 1 0 480.012 4.745 20 0 JJADRO Cc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164963200 722062172 /nfs/dbraw/zinc/06/21/72/722062172.db2.gz BANLVMNQOLDKRH-UHFFFAOYSA-N 1 0 480.012 4.745 20 0 JJADRO Cc1ccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164968106 722078723 /nfs/dbraw/zinc/07/87/23/722078723.db2.gz QSAMPOLSZUSGCI-UHFFFAOYSA-N 1 0 498.034 4.902 20 0 JJADRO O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164975849 722091332 /nfs/dbraw/zinc/09/13/32/722091332.db2.gz RAMRQUDKEXXJSA-DEOSSOPVSA-N 1 0 458.650 4.553 20 0 JJADRO Clc1cc2nc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1Cl ZINC001164971440 722108270 /nfs/dbraw/zinc/10/82/70/722108270.db2.gz CLFDTTXWWZSIAE-YWZLYKJASA-N 1 0 478.811 4.712 20 0 JJADRO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164971372 722108401 /nfs/dbraw/zinc/10/84/01/722108401.db2.gz BMKOARPYFJUVBA-UHSQPCAPSA-N 1 0 477.612 4.933 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164979128 722111567 /nfs/dbraw/zinc/11/15/67/722111567.db2.gz PDNFUZFKYFRJMQ-LADGPHEKSA-N 1 0 471.630 4.789 20 0 JJADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981478 722122177 /nfs/dbraw/zinc/12/21/77/722122177.db2.gz UFNUOLKORDNEOJ-JXFKEZNVSA-N 1 0 494.373 4.604 20 0 JJADRO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164985046 722138657 /nfs/dbraw/zinc/13/86/57/722138657.db2.gz YXZZDVIVEQDSBA-NFBKMPQASA-N 1 0 475.593 4.620 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164984947 722147547 /nfs/dbraw/zinc/14/75/47/722147547.db2.gz YLOFOTDLRQEFJS-NOZRDPDXSA-N 1 0 483.641 4.994 20 0 JJADRO c1ccc(-c2ccc(-c3ccc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)nn3)cc2)cc1 ZINC001164978112 722147839 /nfs/dbraw/zinc/14/78/39/722147839.db2.gz JZJLZSSKCGMBHN-LMSSTIIKSA-N 1 0 477.612 4.933 20 0 JJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976029 722148925 /nfs/dbraw/zinc/14/89/25/722148925.db2.gz GLEVAGWYHYPRJR-KNQAVFIVSA-N 1 0 458.940 4.555 20 0 JJADRO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977144 722154398 /nfs/dbraw/zinc/15/43/98/722154398.db2.gz XOJLNBVONLENNE-GCJKJVERSA-N 1 0 486.403 4.698 20 0 JJADRO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973847 722154610 /nfs/dbraw/zinc/15/46/10/722154610.db2.gz NCGMUYYYOGTGCF-AVRDEDQJSA-N 1 0 486.403 4.698 20 0 JJADRO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973852 722155743 /nfs/dbraw/zinc/15/57/43/722155743.db2.gz NCGMUYYYOGTGCF-XMSQKQJNSA-N 1 0 486.403 4.698 20 0 JJADRO Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164972807 722157715 /nfs/dbraw/zinc/15/77/15/722157715.db2.gz JQXHQEPMWVPDKY-XUZZJYLKSA-N 1 0 499.993 4.773 20 0 JJADRO Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164972810 722157946 /nfs/dbraw/zinc/15/79/46/722157946.db2.gz JQXHQEPMWVPDKY-ZJSXRUAMSA-N 1 0 499.993 4.773 20 0 JJADRO Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164972799 722158363 /nfs/dbraw/zinc/15/83/63/722158363.db2.gz JQXHQEPMWVPDKY-QPPBQGQZSA-N 1 0 499.993 4.773 20 0 JJADRO Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(c2ncccc2C[NH+]2CCCC2)CC1 ZINC001164989396 722189250 /nfs/dbraw/zinc/18/92/50/722189250.db2.gz DKENKUHTKCJWEE-UHFFFAOYSA-N 1 0 456.590 4.777 20 0 JJADRO Cc1nc(CO[C@@H]2COC3(C2)CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001165006798 722272524 /nfs/dbraw/zinc/27/25/24/722272524.db2.gz QWPLEHRVAHPZMC-VWLOTQADSA-N 1 0 490.673 4.750 20 0 JJADRO CC(C)c1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359715739 1064264232 /nfs/dbraw/zinc/26/42/32/1064264232.db2.gz KLIAJKCTTYGZFW-CVDCTZTESA-N 1 0 474.644 4.683 20 0 JJADRO CC(C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359716534 1064265201 /nfs/dbraw/zinc/26/52/01/1064265201.db2.gz KSBIPWCHGZKOFN-NRFANRHFSA-N 1 0 478.607 4.867 20 0 JJADRO CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359719394 1064266812 /nfs/dbraw/zinc/26/68/12/1064266812.db2.gz LDNQCCJSRXELKT-JOCHJYFZSA-N 1 0 475.685 4.833 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545859172 1064267604 /nfs/dbraw/zinc/26/76/04/1064267604.db2.gz GKGGVIQYQOOPMX-SFTDATJTSA-N 1 0 472.722 4.747 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCOc1ccc(Cl)cc1 ZINC001359720419 1064267831 /nfs/dbraw/zinc/26/78/31/1064267831.db2.gz RGAOGPYUAFONAE-UHFFFAOYSA-N 1 0 460.047 4.560 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001359720267 1064268154 /nfs/dbraw/zinc/26/81/54/1064268154.db2.gz MNYXJFYIFVBGOL-FQEVSTJZSA-N 1 0 465.646 4.813 20 0 JJADRO CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359723220 1064270178 /nfs/dbraw/zinc/27/01/78/1064270178.db2.gz MQFCWRPZFAWWJL-PZJWPPBQSA-N 1 0 461.969 4.668 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001545862700 1064270587 /nfs/dbraw/zinc/27/05/87/1064270587.db2.gz QEUMGRROFHSNFJ-PZJWPPBQSA-N 1 0 472.703 4.577 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545862859 1064271310 /nfs/dbraw/zinc/27/13/10/1064271310.db2.gz VLXBRBNHEOQMQR-HBMCJLEFSA-N 1 0 474.738 4.825 20 0 JJADRO CC(C)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359724713 1064272424 /nfs/dbraw/zinc/27/24/24/1064272424.db2.gz SQZUYVPRLDWITN-FGZHOGPDSA-N 1 0 453.656 4.604 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001545865318 1064273075 /nfs/dbraw/zinc/27/30/75/1064273075.db2.gz XEJHRQIZSIMXCZ-QFIPXVFZSA-N 1 0 450.627 4.645 20 0 JJADRO CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359727426 1064274146 /nfs/dbraw/zinc/27/41/46/1064274146.db2.gz UGOQXUCUDIVUOP-VABKMULXSA-N 1 0 482.673 4.540 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CC=CCC2)C1 ZINC001359729037 1064277946 /nfs/dbraw/zinc/27/79/46/1064277946.db2.gz QXYVYEQOUKKGPJ-QGZVFWFLSA-N 1 0 464.477 4.903 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H]2CC)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001545868453 1064279418 /nfs/dbraw/zinc/27/94/18/1064279418.db2.gz QQFVGLUFRAZPQV-AUSIDOKSSA-N 1 0 486.730 4.795 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H]2CC)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001545868456 1064280008 /nfs/dbraw/zinc/28/00/08/1064280008.db2.gz QQFVGLUFRAZPQV-XXBNENTESA-N 1 0 486.730 4.795 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001359729782 1064280314 /nfs/dbraw/zinc/28/03/14/1064280314.db2.gz HCCDVHXMWGFOFX-JOCHJYFZSA-N 1 0 473.109 4.745 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2CC)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545868649 1064280640 /nfs/dbraw/zinc/28/06/40/1064280640.db2.gz UNDBVZULVBADEH-WWPVKYPJSA-N 1 0 458.695 4.618 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001545869884 1064281493 /nfs/dbraw/zinc/28/14/93/1064281493.db2.gz ARVGZWSERMRKRM-OAQYLSRUSA-N 1 0 484.664 4.594 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCSCC2)C1 ZINC001359730386 1064281738 /nfs/dbraw/zinc/28/17/38/1064281738.db2.gz UEBNVBOWFKVDTK-KRWDZBQOSA-N 1 0 452.043 4.659 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001545870143 1064282037 /nfs/dbraw/zinc/28/20/37/1064282037.db2.gz HMNHKGKWNOKNAP-AOHZBQACSA-N 1 0 480.701 4.734 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001545870230 1064282726 /nfs/dbraw/zinc/28/27/26/1064282726.db2.gz JHETYALOQGEZKX-FGZHOGPDSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001545870300 1064283525 /nfs/dbraw/zinc/28/35/25/1064283525.db2.gz KYGACAFBBVNXNL-NOZRDPDXSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001545870380 1064284023 /nfs/dbraw/zinc/28/40/23/1064284023.db2.gz MUHQYSBLBKKBPE-RCZVLFRGSA-N 1 0 498.691 4.840 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001545870635 1064285024 /nfs/dbraw/zinc/28/50/24/1064285024.db2.gz SASGIBNYHXQBIG-VWNXMTODSA-N 1 0 480.701 4.763 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001545872296 1064287651 /nfs/dbraw/zinc/28/76/51/1064287651.db2.gz MAAHPMZTFUMNRL-HXUWFJFHSA-N 1 0 486.730 4.762 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001545874147 1064289587 /nfs/dbraw/zinc/28/95/87/1064289587.db2.gz JUFYASUJXRVGMI-ISKFKSNPSA-N 1 0 494.728 4.776 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1Cc1ccc(F)cc1 ZINC001545876409 1064292851 /nfs/dbraw/zinc/29/28/51/1064292851.db2.gz ZGAZNUYVAVCDDA-NRFANRHFSA-N 1 0 498.691 4.865 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545877515 1064293403 /nfs/dbraw/zinc/29/34/03/1064293403.db2.gz FAORQEZWDLVWFT-LJQANCHMSA-N 1 0 497.515 4.893 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(N(C)c2ccccc2)n1 ZINC001545880290 1064296316 /nfs/dbraw/zinc/29/63/16/1064296316.db2.gz WIAITDBHWFBPAW-OAQYLSRUSA-N 1 0 450.608 4.743 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359737746 1064299404 /nfs/dbraw/zinc/29/94/04/1064299404.db2.gz FHAPCRXOQIERBO-RBBKRZOGSA-N 1 0 487.092 4.608 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001545885286 1064302004 /nfs/dbraw/zinc/30/20/04/1064302004.db2.gz RRMRFSKJNAYZFF-NRFANRHFSA-N 1 0 458.695 4.622 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1CCC[NH+]1CCCC1 ZINC001359738585 1064302515 /nfs/dbraw/zinc/30/25/15/1064302515.db2.gz YNTHXVNDGMYVOB-NRFANRHFSA-N 1 0 476.463 4.730 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001359740116 1064309196 /nfs/dbraw/zinc/30/91/96/1064309196.db2.gz MOTARBZFGSABTJ-UZLBHIALSA-N 1 0 464.427 4.669 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001359742657 1064312051 /nfs/dbraw/zinc/31/20/51/1064312051.db2.gz SHJDDTZPNMEITR-QFIPXVFZSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001359744216 1064314821 /nfs/dbraw/zinc/31/48/21/1064314821.db2.gz BTCDWGYGOXTICC-NFBKMPQASA-N 1 0 453.656 4.746 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001359744308 1064315636 /nfs/dbraw/zinc/31/56/36/1064315636.db2.gz DLKIMQXSNBXHPK-ZWKOTPCHSA-N 1 0 476.463 4.585 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001359745108 1064318196 /nfs/dbraw/zinc/31/81/96/1064318196.db2.gz AHEVUHGPCFWSFX-GOSISDBHSA-N 1 0 466.120 4.755 20 0 JJADRO CC(C)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001359745513 1064319808 /nfs/dbraw/zinc/31/98/08/1064319808.db2.gz LBHMUHBOUHXEMJ-SZPZYZBQSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001359747554 1064328790 /nfs/dbraw/zinc/32/87/90/1064328790.db2.gz DOLZSHPXGLABHP-FPOVZHCZSA-N 1 0 461.054 4.509 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C[NH+]2CCCC2)CCS1 ZINC001359747765 1064330465 /nfs/dbraw/zinc/33/04/65/1064330465.db2.gz IAATUNMPGLIVFE-IBGZPJMESA-N 1 0 463.095 4.693 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CCS1 ZINC001359748409 1064334254 /nfs/dbraw/zinc/33/42/54/1064334254.db2.gz VDOPZTNDNOKIEN-FXAWDEMLSA-N 1 0 478.504 4.770 20 0 JJADRO CCOc1c(OC)cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1OC ZINC001434912066 1064338412 /nfs/dbraw/zinc/33/84/12/1064338412.db2.gz JAOYYEGTFBHCKO-FGZHOGPDSA-N 1 0 480.630 4.696 20 0 JJADRO CCSc1ccc(Cl)cc1C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001434917901 1064345142 /nfs/dbraw/zinc/34/51/42/1064345142.db2.gz CIPMCXBHDWWYBZ-LJQANCHMSA-N 1 0 459.059 4.521 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC2([NH+](C)C)CCCCC2)CCS1 ZINC001359754952 1064346602 /nfs/dbraw/zinc/34/66/02/1064346602.db2.gz PDEFNMYEIPHKLF-QHCPKHFHSA-N 1 0 471.715 4.742 20 0 JJADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cc2c(Br)cccc2cn1 ZINC001434920511 1064348169 /nfs/dbraw/zinc/34/81/69/1064348169.db2.gz CUYZMCCCWBLWLI-UHFFFAOYSA-N 1 0 456.409 4.841 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC001434921072 1064348847 /nfs/dbraw/zinc/34/88/47/1064348847.db2.gz NVEQKDWQWINTAX-IJVDHGTGSA-N 1 0 455.521 4.939 20 0 JJADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc2cncc(Br)c2n1 ZINC001434920685 1064349114 /nfs/dbraw/zinc/34/91/14/1064349114.db2.gz RUAORGVRANYTIN-UHFFFAOYSA-N 1 0 457.397 4.502 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)CCS1 ZINC001359756084 1064351460 /nfs/dbraw/zinc/35/14/60/1064351460.db2.gz LILDHYVBZRZWIX-QFIPXVFZSA-N 1 0 475.678 4.696 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)CCS1 ZINC001359756083 1064351681 /nfs/dbraw/zinc/35/16/81/1064351681.db2.gz LILDHYVBZRZWIX-JOCHJYFZSA-N 1 0 475.678 4.696 20 0 JJADRO CC(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359759733 1064365588 /nfs/dbraw/zinc/36/55/88/1064365588.db2.gz LDRUGUTUCYDRRC-AHWVRZQESA-N 1 0 467.702 4.825 20 0 JJADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3nc(Br)c4ccccn43)ccc21 ZINC001434947008 1064367483 /nfs/dbraw/zinc/36/74/83/1064367483.db2.gz QSANIGPVHUWOLL-UHFFFAOYSA-N 1 0 454.372 4.646 20 0 JJADRO C[C@H](CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC001434962409 1064378302 /nfs/dbraw/zinc/37/83/02/1064378302.db2.gz OCJXBNOIQGOJER-CYBMUJFWSA-N 1 0 457.290 4.524 20 0 JJADRO CC(C)C[C@H](Cn1c(C(C)C)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1)[NH+](C)C ZINC001359764562 1064384563 /nfs/dbraw/zinc/38/45/63/1064384563.db2.gz DSSDBPWFCWNMCS-HSZRJFAPSA-N 1 0 456.654 4.548 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2oncc2C1)[NH+](C)C ZINC001359764942 1064385883 /nfs/dbraw/zinc/38/58/83/1064385883.db2.gz MOHCBJUMSXAKHZ-PXNSSMCTSA-N 1 0 473.021 4.599 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001359765021 1064386027 /nfs/dbraw/zinc/38/60/27/1064386027.db2.gz OCOIJGXOKKTDFW-MIZPHKNDSA-N 1 0 475.653 4.785 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001359765196 1064386755 /nfs/dbraw/zinc/38/67/55/1064386755.db2.gz ROJSVCDNFFQUBW-UNMCSNQZSA-N 1 0 473.637 4.683 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC001359765234 1064386883 /nfs/dbraw/zinc/38/68/83/1064386883.db2.gz SNTWRGVQFILNKV-SCTDSRPQSA-N 1 0 465.484 4.505 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001359765487 1064387574 /nfs/dbraw/zinc/38/75/74/1064387574.db2.gz XTUOWGTZBIGVBY-YQVWRLOYSA-N 1 0 465.484 4.505 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC001359765489 1064388300 /nfs/dbraw/zinc/38/83/00/1064388300.db2.gz XTUOWGTZBIGVBY-ZIFCJYIRSA-N 1 0 465.484 4.505 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cnccn1)[NH+](C)C ZINC001359765766 1064388927 /nfs/dbraw/zinc/38/89/27/1064388927.db2.gz BFQFUBNEJLIFIF-OAQYLSRUSA-N 1 0 467.687 4.678 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C)C1)[NH+](C)C ZINC001359765973 1064389371 /nfs/dbraw/zinc/38/93/71/1064389371.db2.gz GBCAMJOSTUKXFE-DOTOQJQBSA-N 1 0 484.870 4.562 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001359765904 1064389480 /nfs/dbraw/zinc/38/94/80/1064389480.db2.gz DQSSFPBOJXAWFB-QFIPXVFZSA-N 1 0 470.706 4.570 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC2CC2)C1)[NH+](C)C ZINC001359765858 1064389500 /nfs/dbraw/zinc/38/95/00/1064389500.db2.gz CZSICPVUMBKBHM-GOTSBHOMSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1)[NH+](C)C ZINC001359765860 1064389635 /nfs/dbraw/zinc/38/96/35/1064389635.db2.gz CZSICPVUMBKBHM-XZOQPEGZSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCOC1)[NH+](C)C ZINC001359766045 1064390075 /nfs/dbraw/zinc/39/00/75/1064390075.db2.gz HHXVPPBKYOWQAU-MOPGFXCFSA-N 1 0 478.479 4.547 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CCC(N)=O)CC1)[NH+](C)C ZINC001359765983 1064390130 /nfs/dbraw/zinc/39/01/30/1064390130.db2.gz GFNFFWGCZJFKNN-DEOSSOPVSA-N 1 0 482.717 4.701 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C)C1)[NH+](C)C ZINC001359765976 1064390200 /nfs/dbraw/zinc/39/02/00/1064390200.db2.gz GBCAMJOSTUKXFE-WBVHZDCISA-N 1 0 484.870 4.562 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(C1)CCCOC2)[NH+](C)C ZINC001359766091 1064390289 /nfs/dbraw/zinc/39/02/89/1064390289.db2.gz HZNFXYXJAGIYFX-CYFREDJKSA-N 1 0 464.029 4.721 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OCCC[C@H]2C1)[NH+](C)C ZINC001359766451 1064392620 /nfs/dbraw/zinc/39/26/20/1064392620.db2.gz NVLQGAKXIXVPTQ-LRXVAGHRSA-N 1 0 464.029 4.719 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+](C)C ZINC001359766597 1064392779 /nfs/dbraw/zinc/39/27/79/1064392779.db2.gz QCCULBDTWSEKKZ-XLIONFOSSA-N 1 0 487.014 4.648 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+](C)C ZINC001359767315 1064396025 /nfs/dbraw/zinc/39/60/25/1064396025.db2.gz FIZSHKURBPCGFR-IBGZPJMESA-N 1 0 452.647 4.797 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2cccc(Br)c2C1)[NH+](C)C ZINC001359767236 1064396244 /nfs/dbraw/zinc/39/62/44/1064396244.db2.gz DAGDSFKEXYRRJP-SFHVURJKSA-N 1 0 471.447 4.575 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)(F)F)[NH+](C)C ZINC001359767699 1064397080 /nfs/dbraw/zinc/39/70/80/1064397080.db2.gz MYNQPHNIWMALNE-GOSISDBHSA-N 1 0 464.536 4.965 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCc2ccc(Br)cc2C1)[NH+](C)C ZINC001359767541 1064397217 /nfs/dbraw/zinc/39/72/17/1064397217.db2.gz JRBOBTXLHRQOFN-JOCHJYFZSA-N 1 0 483.458 4.642 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC[C@@H]1C)[NH+](C)C ZINC001359769320 1064399232 /nfs/dbraw/zinc/39/92/32/1064399232.db2.gz NTEZBJLNYLHLIV-MYDTUXCISA-N 1 0 490.737 4.994 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC001359770127 1064400852 /nfs/dbraw/zinc/40/08/52/1064400852.db2.gz ZHCFDYDAAANERK-IRXDYDNUSA-N 1 0 470.609 4.991 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(Cc1ccco1)C(C)C)[NH+](C)C ZINC001359770456 1064402041 /nfs/dbraw/zinc/40/20/41/1064402041.db2.gz GAQPDYZTBBQTNS-YKSBVNFPSA-N 1 0 467.614 4.775 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccccc2F)nnc1Nc1cnn([C@@H]2CC2(F)F)c1)[NH+](C)C ZINC001359770771 1064402584 /nfs/dbraw/zinc/40/25/84/1064402584.db2.gz LOTQVRGFDGVUSI-AZUAARDMSA-N 1 0 461.536 4.505 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1)[NH+](C)C ZINC001359771095 1064403516 /nfs/dbraw/zinc/40/35/16/1064403516.db2.gz QNFLFSPIJRQBFT-FQEVSTJZSA-N 1 0 459.013 4.669 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1)[NH+](C)C ZINC001359771331 1064404410 /nfs/dbraw/zinc/40/44/10/1064404410.db2.gz UTSYRKRTJUXNRO-HSZRJFAPSA-N 1 0 484.092 4.616 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(OC2CCC(C)CC2)CC1)[NH+](C)C ZINC001359771585 1064405205 /nfs/dbraw/zinc/40/52/05/1064405205.db2.gz ZTKOFBURPLLNRQ-JYNIAERNSA-N 1 0 482.717 4.804 20 0 JJADRO CC(C)C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCO[C@H](C)C1)[NH+](C)C ZINC001359771941 1064406779 /nfs/dbraw/zinc/40/67/79/1064406779.db2.gz GRCRJOKZKFQPNY-QUCCMNQESA-N 1 0 466.095 4.815 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001359771815 1064406787 /nfs/dbraw/zinc/40/67/87/1064406787.db2.gz DWNJOQPHHMBMIA-GGAORHGYSA-N 1 0 486.064 4.562 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC001359771814 1064406847 /nfs/dbraw/zinc/40/68/47/1064406847.db2.gz DWNJOQPHHMBMIA-FYYLOGMGSA-N 1 0 486.064 4.562 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CCOCC2)C1)[NH+](C)C ZINC001359772347 1064408311 /nfs/dbraw/zinc/40/83/11/1064408311.db2.gz NUUVTTOMYKGUJX-GMAHTHKFSA-N 1 0 490.092 4.740 20 0 JJADRO CC(C)C[C@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21)[NH+](C)C ZINC001359772829 1064409912 /nfs/dbraw/zinc/40/99/12/1064409912.db2.gz WUZRVIHMUMTQKF-WREZULKGSA-N 1 0 453.675 4.891 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC001359772940 1064409930 /nfs/dbraw/zinc/40/99/30/1064409930.db2.gz YTSACNIGNXHGRP-CSEOROSGSA-N 1 0 476.710 4.507 20 0 JJADRO CC(C)CC1(Cn2c(CC(C)(C)C)nnc2N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001359774351 1064415207 /nfs/dbraw/zinc/41/52/07/1064415207.db2.gz PGSUDOWHBCQBQJ-UHFFFAOYSA-N 1 0 466.718 4.951 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359775119 1064416413 /nfs/dbraw/zinc/41/64/13/1064416413.db2.gz IVFUHBTWDSFRPJ-RTWAWAEBSA-N 1 0 453.631 4.921 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359775402 1064417995 /nfs/dbraw/zinc/41/79/95/1064417995.db2.gz PAGBWIWRXOBOTG-FCHUYYIVSA-N 1 0 482.673 4.751 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359777165 1064420281 /nfs/dbraw/zinc/42/02/81/1064420281.db2.gz CGHRTFDDGMJMMQ-LBNVMWSVSA-N 1 0 467.702 4.909 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CCOc1ncccc1F ZINC001359777743 1064422079 /nfs/dbraw/zinc/42/20/79/1064422079.db2.gz QIOTXYGULKFDOB-GGAORHGYSA-N 1 0 480.632 4.579 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359778134 1064423113 /nfs/dbraw/zinc/42/31/13/1064423113.db2.gz ZQHCCDJWDZJDMC-MZKUHISZSA-N 1 0 453.675 4.639 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccc(Br)s2)n1CC1CC[NH+](C2CC2)CC1 ZINC001359779990 1064427971 /nfs/dbraw/zinc/42/79/71/1064427971.db2.gz GAYOCOOFOMMSMX-UHFFFAOYSA-N 1 0 466.493 4.811 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccccc2C(F)(F)F)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359781101 1064431516 /nfs/dbraw/zinc/43/15/16/1064431516.db2.gz UMHJPBDMNPRHJA-OALUTQOASA-N 1 0 467.580 4.631 20 0 JJADRO CC(C)Cc1nnc(N(C)CC2CCOCC2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359784037 1064436164 /nfs/dbraw/zinc/43/61/64/1064436164.db2.gz PQWMUAKBVHKASG-WIOPSUGQSA-N 1 0 453.675 4.640 20 0 JJADRO CC(C)Cc1nnc(N(C)CC2CCOCC2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359784035 1064436199 /nfs/dbraw/zinc/43/61/99/1064436199.db2.gz PQWMUAKBVHKASG-RCZVLFRGSA-N 1 0 453.675 4.640 20 0 JJADRO CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359793087 1064450989 /nfs/dbraw/zinc/45/09/89/1064450989.db2.gz RBNDIZOBYMIUPY-IAGOWNOFSA-N 1 0 460.464 4.846 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cccc(-c4ccccn4)c3C)CC2)c1C ZINC001359795012 1064453804 /nfs/dbraw/zinc/45/38/04/1064453804.db2.gz DZDJNXHOOFGAIG-UHFFFAOYSA-N 1 0 458.606 4.814 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C3(c4c(F)cccc4F)CCC3)CC2)c1C ZINC001359795907 1064454379 /nfs/dbraw/zinc/45/43/79/1064454379.db2.gz POAFAFDJWHOBBK-UHFFFAOYSA-N 1 0 457.565 4.530 20 0 JJADRO Cc1ccc(C2(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)c(F)c3)CCOCC2)cc1C ZINC001435042316 1064459055 /nfs/dbraw/zinc/45/90/55/1064459055.db2.gz ZGDGVICQNHFKKS-UHFFFAOYSA-N 1 0 453.602 4.660 20 0 JJADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC001435043370 1064460071 /nfs/dbraw/zinc/46/00/71/1064460071.db2.gz DSRXNNOHYHJMIB-IBGZPJMESA-N 1 0 457.405 4.858 20 0 JJADRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001435045209 1064461980 /nfs/dbraw/zinc/46/19/80/1064461980.db2.gz NWZROMBEWFBAFB-QUCCMNQESA-N 1 0 458.628 4.684 20 0 JJADRO CCOC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)nc1C ZINC001435045650 1064462088 /nfs/dbraw/zinc/46/20/88/1064462088.db2.gz YQBXZKHARCNJJM-UHFFFAOYSA-N 1 0 459.590 4.750 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359799166 1064465172 /nfs/dbraw/zinc/46/51/72/1064465172.db2.gz YJZQVIBGPIDMOQ-YADHBBJMSA-N 1 0 490.737 4.871 20 0 JJADRO CN(C)C(=O)Sc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001359799931 1064466878 /nfs/dbraw/zinc/46/68/78/1064466878.db2.gz YWRVGHDBEAVUQI-OAQYLSRUSA-N 1 0 451.514 4.853 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359800898 1064467805 /nfs/dbraw/zinc/46/78/05/1064467805.db2.gz MQBTVXJXCXFEFD-QFQXNSOFSA-N 1 0 471.665 4.830 20 0 JJADRO CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359802027 1064469621 /nfs/dbraw/zinc/46/96/21/1064469621.db2.gz GJRMSBCVPWPBFN-QHCPKHFHSA-N 1 0 467.702 4.721 20 0 JJADRO CC(C)Cc1nnc(N2CCC(c3nccs3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001359804591 1064473320 /nfs/dbraw/zinc/47/33/20/1064473320.db2.gz CKNDKSZJAOUJJY-NRFANRHFSA-N 1 0 456.635 4.759 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cc(Cl)nc(C(C)(C)C)c3)CC2)c1C ZINC001435057461 1064476407 /nfs/dbraw/zinc/47/64/07/1064476407.db2.gz PLCGZHWLTHIRLV-UHFFFAOYSA-N 1 0 459.034 4.790 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359808572 1064480643 /nfs/dbraw/zinc/48/06/43/1064480643.db2.gz PNYGRIGPKKMNGS-PZJWPPBQSA-N 1 0 490.718 4.534 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001435062134 1064480852 /nfs/dbraw/zinc/48/08/52/1064480852.db2.gz DPTWMXXESLPKPP-UHFFFAOYSA-N 1 0 450.892 4.749 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl ZINC001435063050 1064481765 /nfs/dbraw/zinc/48/17/65/1064481765.db2.gz CGJJKWBTDLSRGX-UHFFFAOYSA-N 1 0 453.808 4.852 20 0 JJADRO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359811127 1064486043 /nfs/dbraw/zinc/48/60/43/1064486043.db2.gz DXYFQYCOMWMPIA-PMACEKPBSA-N 1 0 462.086 4.536 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359811576 1064487749 /nfs/dbraw/zinc/48/77/49/1064487749.db2.gz RTUWWFSEAXIMCK-RPWUZVMVSA-N 1 0 498.716 4.737 20 0 JJADRO O=C(c1ccnc(Br)c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001435066900 1064487791 /nfs/dbraw/zinc/48/77/91/1064487791.db2.gz SCKQOCDHWBZUKR-UHFFFAOYSA-N 1 0 457.199 4.889 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(F)ccc1Br ZINC001435067246 1064487870 /nfs/dbraw/zinc/48/78/70/1064487870.db2.gz ZZRJZQRNLVCICO-UHFFFAOYSA-N 1 0 458.169 4.555 20 0 JJADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359812575 1064489289 /nfs/dbraw/zinc/48/92/89/1064489289.db2.gz OIWIZPWQFWULAN-NRFANRHFSA-N 1 0 498.691 4.525 20 0 JJADRO O=C(c1nc(C(F)(F)F)n2c1CCCC2)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001435069133 1064490420 /nfs/dbraw/zinc/49/04/20/1064490420.db2.gz VMABPNDEONERAC-UHFFFAOYSA-N 1 0 454.924 4.630 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001359814505 1064491934 /nfs/dbraw/zinc/49/19/34/1064491934.db2.gz IHJNFDCMSCMLBM-XMMPIXPASA-N 1 0 499.679 4.528 20 0 JJADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359814526 1064491974 /nfs/dbraw/zinc/49/19/74/1064491974.db2.gz JDIQOYTUVVOKMF-NRFANRHFSA-N 1 0 486.730 4.592 20 0 JJADRO CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359814648 1064492822 /nfs/dbraw/zinc/49/28/22/1064492822.db2.gz MNNCEWLJLQAXOJ-QFIPXVFZSA-N 1 0 481.689 4.532 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359814827 1064493752 /nfs/dbraw/zinc/49/37/52/1064493752.db2.gz BNSATRBRAWSAPG-ZRZAMGCNSA-N 1 0 467.702 4.721 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359817507 1064500547 /nfs/dbraw/zinc/50/05/47/1064500547.db2.gz FYMFHCVXWZMTGW-UPVQGACJSA-N 1 0 475.722 4.542 20 0 JJADRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c2ccccc2)CC1 ZINC001359818437 1064502446 /nfs/dbraw/zinc/50/24/46/1064502446.db2.gz FHKOIHJJGFCPON-RUZDIDTESA-N 1 0 451.973 4.865 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001359826536 1064508339 /nfs/dbraw/zinc/50/83/39/1064508339.db2.gz QXYVTLCEUGGXIS-BJKOFHAPSA-N 1 0 453.675 4.872 20 0 JJADRO C[C@@H](CNC(=O)COc1ccc2ccccc2c1Br)[N@@H+]1CCc2ccccc2C1 ZINC001359828844 1064510617 /nfs/dbraw/zinc/51/06/17/1064510617.db2.gz NHPLIOHPJIQIAD-KRWDZBQOSA-N 1 0 453.380 4.544 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C ZINC001359829021 1064510862 /nfs/dbraw/zinc/51/08/62/1064510862.db2.gz PNWGPUOQCRAQRG-JWQCQUIFSA-N 1 0 465.638 4.876 20 0 JJADRO CC1(C)C[N@@H+](C2(CNC(=O)C3(c4cc(F)cc(C(F)(F)F)c4)CC3)CCCCC2)CCO1 ZINC001435105358 1064515914 /nfs/dbraw/zinc/51/59/14/1064515914.db2.gz UXKIWODJUBLBQS-UHFFFAOYSA-N 1 0 456.524 4.806 20 0 JJADRO CC1(C)C[N@@H+](C2(CNC(=O)COc3ccccc3Cc3ccccc3)CCCCC2)CCO1 ZINC001435105656 1064516019 /nfs/dbraw/zinc/51/60/19/1064516019.db2.gz VGYPNBLQDIJAFN-UHFFFAOYSA-N 1 0 450.623 4.586 20 0 JJADRO O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001435107712 1064517156 /nfs/dbraw/zinc/51/71/56/1064517156.db2.gz GPSLFDPUFZNXMM-UHFFFAOYSA-N 1 0 454.636 4.785 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359832982 1064517471 /nfs/dbraw/zinc/51/74/71/1064517471.db2.gz RQFCALBJQLHYTG-YADHBBJMSA-N 1 0 476.710 4.577 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C[C@](C)(O)c1cccs1 ZINC001359833191 1064517858 /nfs/dbraw/zinc/51/78/58/1064517858.db2.gz VKSVYMDQDQXVOU-BWKNWUBXSA-N 1 0 459.704 4.538 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)c1ccccn1 ZINC001359833157 1064517907 /nfs/dbraw/zinc/51/79/07/1064517907.db2.gz UJWFESAEAGBIEV-HSZRJFAPSA-N 1 0 452.691 4.942 20 0 JJADRO CC(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359841199 1064528200 /nfs/dbraw/zinc/52/82/00/1064528200.db2.gz GLIOWWRJEWYAOR-UHFFFAOYSA-N 1 0 481.607 4.914 20 0 JJADRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001359844536 1064530806 /nfs/dbraw/zinc/53/08/06/1064530806.db2.gz AMWGWOZEOQYLGT-UHFFFAOYSA-N 1 0 457.553 4.586 20 0 JJADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001359845785 1064531898 /nfs/dbraw/zinc/53/18/98/1064531898.db2.gz CWEHMVKDMMBPEN-UHFFFAOYSA-N 1 0 489.108 4.601 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC001359847781 1064534073 /nfs/dbraw/zinc/53/40/73/1064534073.db2.gz WZONYHWCRNMLFU-CQSZACIVSA-N 1 0 457.771 4.599 20 0 JJADRO COc1cccc(OC)c1CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001359847528 1064534104 /nfs/dbraw/zinc/53/41/04/1064534104.db2.gz NVIOMGOOLXGCOZ-UHFFFAOYSA-N 1 0 451.394 4.678 20 0 JJADRO O=C(c1cncc(OCC(F)F)c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001359847803 1064534239 /nfs/dbraw/zinc/53/42/39/1064534239.db2.gz XPVZGTWOJOUNHJ-UHFFFAOYSA-N 1 0 458.336 4.771 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC001435130570 1064535368 /nfs/dbraw/zinc/53/53/68/1064535368.db2.gz BCTWTZCGSIFLNQ-OFNKIYASSA-N 1 0 452.599 4.506 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359850158 1064536719 /nfs/dbraw/zinc/53/67/19/1064536719.db2.gz QHNHSFONSSVYEQ-XMMPIXPASA-N 1 0 474.644 4.592 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001359850528 1064537212 /nfs/dbraw/zinc/53/72/12/1064537212.db2.gz WWZHHKCNMCWGHG-SFHVURJKSA-N 1 0 499.025 4.960 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CCSc1ccc(Br)cc1 ZINC001359851153 1064538167 /nfs/dbraw/zinc/53/81/67/1064538167.db2.gz FEAMQHORCUZXOY-UHFFFAOYSA-N 1 0 457.384 4.800 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)[C@@H](C)C1 ZINC001435134451 1064538266 /nfs/dbraw/zinc/53/82/66/1064538266.db2.gz OZSIEDKFLJKZLP-FDDCHVKYSA-N 1 0 459.034 4.578 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359851814 1064538949 /nfs/dbraw/zinc/53/89/49/1064538949.db2.gz FZUCVNUHZUPXFX-LEWJYISDSA-N 1 0 492.634 4.942 20 0 JJADRO Cc1cc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3F)oc2c(Br)c1 ZINC001359852244 1064539325 /nfs/dbraw/zinc/53/93/25/1064539325.db2.gz XIYPQUJDBCPTLL-UHFFFAOYSA-N 1 0 451.311 4.986 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359852888 1064540683 /nfs/dbraw/zinc/54/06/83/1064540683.db2.gz YUNJAGCNJGHEEM-CVDCTZTESA-N 1 0 470.662 4.695 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001359856099 1064543193 /nfs/dbraw/zinc/54/31/93/1064543193.db2.gz VYFHKFHHYLIICL-IBGZPJMESA-N 1 0 479.591 4.777 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359855619 1064543284 /nfs/dbraw/zinc/54/32/84/1064543284.db2.gz QJMCGHBMSBYKSQ-OOMBGRCJSA-N 1 0 490.737 4.680 20 0 JJADRO CC(C)n1cc(Br)c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)n1 ZINC001359857798 1064544745 /nfs/dbraw/zinc/54/47/45/1064544745.db2.gz COIIUIQJEAPNNI-UHFFFAOYSA-N 1 0 453.812 4.618 20 0 JJADRO CSc1cccc(N(C(=O)c2cc(Br)cn3ccnc23)C2CC[NH+](C)CC2)c1 ZINC001435147994 1064547982 /nfs/dbraw/zinc/54/79/82/1064547982.db2.gz IJLDJZDRGJRNMY-UHFFFAOYSA-N 1 0 459.413 4.560 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359859835 1064548997 /nfs/dbraw/zinc/54/89/97/1064548997.db2.gz JDHBQBVRBYAZBO-XMMPIXPASA-N 1 0 466.699 4.738 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359861308 1064550892 /nfs/dbraw/zinc/55/08/92/1064550892.db2.gz QYFFJEMZEOMVBW-FYYLOGMGSA-N 1 0 475.628 4.548 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001359865393 1064555328 /nfs/dbraw/zinc/55/53/28/1064555328.db2.gz DVCPXCWODCSKDR-FCHUYYIVSA-N 1 0 492.506 4.793 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359865769 1064555891 /nfs/dbraw/zinc/55/58/91/1064555891.db2.gz ISAKTLWOFGNQHM-RPWUZVMVSA-N 1 0 475.628 4.843 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359865800 1064556041 /nfs/dbraw/zinc/55/60/41/1064556041.db2.gz JEWJJIHSGWWLGQ-HHHXNRCGSA-N 1 0 453.675 4.566 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359866307 1064557662 /nfs/dbraw/zinc/55/76/62/1064557662.db2.gz OYRMKSBVEGPDTE-RTBURBONSA-N 1 0 466.095 4.890 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1CC(C)(C)C[NH+](C)C ZINC001359866400 1064557689 /nfs/dbraw/zinc/55/76/89/1064557689.db2.gz QPPMKANEZBOEHV-FQEVSTJZSA-N 1 0 468.473 4.949 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359866776 1064558585 /nfs/dbraw/zinc/55/85/85/1064558585.db2.gz ZBUSPPHLRDVITF-UNMCSNQZSA-N 1 0 491.558 4.969 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359867370 1064559117 /nfs/dbraw/zinc/55/91/17/1064559117.db2.gz AOELOMUZLQTRGX-UXHICEINSA-N 1 0 476.735 4.785 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(Br)ccc2Br)c1 ZINC001359871493 1064563350 /nfs/dbraw/zinc/56/33/50/1064563350.db2.gz VNAKPKOGSQEVLS-UHFFFAOYSA-N 1 0 454.206 4.724 20 0 JJADRO CC(C)Cc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359872338 1064563851 /nfs/dbraw/zinc/56/38/51/1064563851.db2.gz BNPLFCKMISTYOP-VQTJNVASSA-N 1 0 451.750 4.559 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)cc2)c1 ZINC001435173551 1064567754 /nfs/dbraw/zinc/56/77/54/1064567754.db2.gz ABYKZYKLBPBGRM-QFIPXVFZSA-N 1 0 455.602 4.880 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001359880218 1064573905 /nfs/dbraw/zinc/57/39/05/1064573905.db2.gz CVICAKVOXMEZHF-OAQYLSRUSA-N 1 0 483.060 4.855 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001359881462 1064575655 /nfs/dbraw/zinc/57/56/55/1064575655.db2.gz PVTQHPVOIVMTKP-WMZHIEFXSA-N 1 0 478.056 4.967 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001435189726 1064579142 /nfs/dbraw/zinc/57/91/42/1064579142.db2.gz RPEDJIJOMIUHJC-QFIPXVFZSA-N 1 0 451.636 4.896 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001435196097 1064584228 /nfs/dbraw/zinc/58/42/28/1064584228.db2.gz QSAPHVAGYMHAQF-QHCPKHFHSA-N 1 0 455.549 4.582 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001359887836 1064584298 /nfs/dbraw/zinc/58/42/98/1064584298.db2.gz YOOZCSAXKGNLSJ-OAQYLSRUSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001359887821 1064584456 /nfs/dbraw/zinc/58/44/56/1064584456.db2.gz YKRMQILBKYNRAA-CWBXHPNXSA-N 1 0 488.721 4.653 20 0 JJADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001435205719 1064591177 /nfs/dbraw/zinc/59/11/77/1064591177.db2.gz HSSZSHSGQCSOFK-INIZCTEOSA-N 1 0 454.459 4.654 20 0 JJADRO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1-c1cccc(C(F)(F)F)c1 ZINC001435205985 1064591415 /nfs/dbraw/zinc/59/14/15/1064591415.db2.gz GJGIVOXQAKLFMF-LJQANCHMSA-N 1 0 456.512 4.936 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435207846 1064592371 /nfs/dbraw/zinc/59/23/71/1064592371.db2.gz MYLHKBCMWKOOEC-ZJSXRUAMSA-N 1 0 457.659 4.973 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001359891877 1064593726 /nfs/dbraw/zinc/59/37/26/1064593726.db2.gz YQGPJQAYERELAG-HOFKKMOUSA-N 1 0 497.087 4.891 20 0 JJADRO Cc1cccc2sc(C(=O)N3CCN(c4ccccc4OCC[NH+](C)C)CC3)c(Cl)c21 ZINC001435213569 1064595129 /nfs/dbraw/zinc/59/51/29/1064595129.db2.gz PGHCTHALWQWXNP-UHFFFAOYSA-N 1 0 458.027 4.766 20 0 JJADRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001359906835 1064622452 /nfs/dbraw/zinc/62/24/52/1064622452.db2.gz KPTOURIUTCVVCK-UHFFFAOYSA-N 1 0 459.635 4.726 20 0 JJADRO CC(C)CCCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001359909179 1064626230 /nfs/dbraw/zinc/62/62/30/1064626230.db2.gz TYTVXXLXTMNDEZ-BKMJKUGQSA-N 1 0 481.664 4.697 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCC[NH+]1CCOCC1 ZINC001359915063 1064635780 /nfs/dbraw/zinc/63/57/80/1064635780.db2.gz XGQMPEHKFBXONI-UHFFFAOYSA-N 1 0 454.446 4.847 20 0 JJADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001435259935 1064635885 /nfs/dbraw/zinc/63/58/85/1064635885.db2.gz FIKPCKBGJVJBRJ-FUDKSRODSA-N 1 0 457.640 4.588 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359915487 1064636325 /nfs/dbraw/zinc/63/63/25/1064636325.db2.gz NNNKBSUCAAJNLB-NHCUHLMSSA-N 1 0 455.647 4.914 20 0 JJADRO CC(C)CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001359921016 1064645951 /nfs/dbraw/zinc/64/59/51/1064645951.db2.gz RUDGLRFQXXFIEY-UHFFFAOYSA-N 1 0 460.066 4.650 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359921549 1064647595 /nfs/dbraw/zinc/64/75/95/1064647595.db2.gz LRLMCAODKHYPJJ-FSSWDIPSSA-N 1 0 476.710 4.953 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC001435271704 1064650486 /nfs/dbraw/zinc/65/04/86/1064650486.db2.gz HMYJCKYYIDEQMR-HXUWFJFHSA-N 1 0 451.592 4.886 20 0 JJADRO CC(C)CCN(c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CC=CCC1)C1CC1 ZINC001359923837 1064654355 /nfs/dbraw/zinc/65/43/55/1064654355.db2.gz XTZDPFGJKRRBKS-UHFFFAOYSA-N 1 0 458.448 4.984 20 0 JJADRO CC(C)CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC001359926478 1064658878 /nfs/dbraw/zinc/65/88/78/1064658878.db2.gz PQVMOPOGKYGUJO-IRLDBZIGSA-N 1 0 474.694 4.849 20 0 JJADRO CCOC(=O)N1[C@H](C(=O)N2CC[NH+]([C@@H](CC)c3ccccc3)CC2)CC[C@H]1c1ccc(C)o1 ZINC001435308992 1064683488 /nfs/dbraw/zinc/68/34/88/1064683488.db2.gz FXWCLLLLGJTZTR-VABKMULXSA-N 1 0 453.583 4.546 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1csc(-c2ccccc2Cl)n1 ZINC001435317920 1064691030 /nfs/dbraw/zinc/69/10/30/1064691030.db2.gz BNLYAJNQVKDKED-UHFFFAOYSA-N 1 0 456.999 4.866 20 0 JJADRO CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001359947305 1064695709 /nfs/dbraw/zinc/69/57/09/1064695709.db2.gz GVJMAYVERLWYAM-RBZQAINGSA-N 1 0 453.675 4.954 20 0 JJADRO COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001435323330 1064696478 /nfs/dbraw/zinc/69/64/78/1064696478.db2.gz IBKYSRVILFXRKP-CEMLEFRQSA-N 1 0 450.604 4.556 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001359947600 1064697209 /nfs/dbraw/zinc/69/72/09/1064697209.db2.gz BRMRAWWSUOQVMN-HSZRJFAPSA-N 1 0 475.722 4.714 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001359947641 1064697249 /nfs/dbraw/zinc/69/72/49/1064697249.db2.gz CDFKTIOOTIFQCV-UHFFFAOYSA-N 1 0 498.075 4.760 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001359947764 1064697883 /nfs/dbraw/zinc/69/78/83/1064697883.db2.gz PCJYIOFAAXVDTK-HSZRJFAPSA-N 1 0 481.689 4.556 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001359947761 1064697923 /nfs/dbraw/zinc/69/79/23/1064697923.db2.gz OXOSMFBDNYYWHQ-RTBURBONSA-N 1 0 491.522 4.896 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001359947878 1064698648 /nfs/dbraw/zinc/69/86/48/1064698648.db2.gz QLWYPTVXYOGBAO-QHCPKHFHSA-N 1 0 490.737 4.901 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C3CCCC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001359948004 1064699383 /nfs/dbraw/zinc/69/93/83/1064699383.db2.gz HJURXRZAJOCREU-UHFFFAOYSA-N 1 0 488.721 4.608 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001359948255 1064699425 /nfs/dbraw/zinc/69/94/25/1064699425.db2.gz LCFGZXARUFXWJA-UYAOXDASSA-N 1 0 466.596 4.676 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CCOc3ccccc3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001359948316 1064700091 /nfs/dbraw/zinc/70/00/91/1064700091.db2.gz LUPCQNRFUVWHDV-DHIUTWEWSA-N 1 0 485.742 4.988 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001359948653 1064700626 /nfs/dbraw/zinc/70/06/26/1064700626.db2.gz XUKHSRKKYZBGKT-XLIONFOSSA-N 1 0 495.485 4.598 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccc3F)nnc2N(C)Cc2cscn2)CC1 ZINC001359948819 1064701066 /nfs/dbraw/zinc/70/10/66/1064701066.db2.gz RINAITFUOSIXKR-UHFFFAOYSA-N 1 0 456.635 4.935 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C3CCC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001359949172 1064702277 /nfs/dbraw/zinc/70/22/77/1064702277.db2.gz XTLSOKALCRETQA-OAQYLSRUSA-N 1 0 471.612 4.851 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N(C)Cc3nc4ccccc4c(=O)[nH]3)nnc2C(C)(C)C)CC1 ZINC001359949956 1064702534 /nfs/dbraw/zinc/70/25/34/1064702534.db2.gz AJWMBJAEHBLZJF-UHFFFAOYSA-N 1 0 479.673 4.619 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001359950689 1064706415 /nfs/dbraw/zinc/70/64/15/1064706415.db2.gz MQRVPKNJLFYFTB-SFTDATJTSA-N 1 0 469.674 4.856 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(F)c(F)c2)CC1 ZINC001359950679 1064706677 /nfs/dbraw/zinc/70/66/77/1064706677.db2.gz MMXFTPBGVPZTRN-HSZRJFAPSA-N 1 0 461.601 4.802 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)s2)c(F)c1 ZINC001435339270 1064709559 /nfs/dbraw/zinc/70/95/59/1064709559.db2.gz MFCSUICILNUBFV-ZHRRBRCNSA-N 1 0 453.583 4.907 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001359951707 1064710772 /nfs/dbraw/zinc/71/07/72/1064710772.db2.gz CMRBNURWCRARKW-DEOSSOPVSA-N 1 0 483.701 4.699 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CC(C)C)cc1 ZINC001359951869 1064711717 /nfs/dbraw/zinc/71/17/17/1064711717.db2.gz IFXGLXOYZCSVTE-VWLOTQADSA-N 1 0 482.717 4.631 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001359952339 1064714711 /nfs/dbraw/zinc/71/47/11/1064714711.db2.gz TWVNWPBWRLDCGN-ZJSXRUAMSA-N 1 0 481.641 4.881 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001359952678 1064716431 /nfs/dbraw/zinc/71/64/31/1064716431.db2.gz ZQKJAOYKLPJVQX-URXFXBBRSA-N 1 0 469.674 4.573 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CC=CCO2)cc1 ZINC001359952652 1064716456 /nfs/dbraw/zinc/71/64/56/1064716456.db2.gz ZHFGIPQBDZHAMJ-RUZDIDTESA-N 1 0 467.658 4.636 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCOC[C@H]3C)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001359954939 1064722130 /nfs/dbraw/zinc/72/21/30/1064722130.db2.gz OIISOWVXGNUXJC-HSZRJFAPSA-N 1 0 469.674 4.717 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCCC2)CC1 ZINC001359954854 1064722294 /nfs/dbraw/zinc/72/22/94/1064722294.db2.gz RFUJUTHAWRJHGW-UHFFFAOYSA-N 1 0 457.638 4.992 20 0 JJADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001435358494 1064722666 /nfs/dbraw/zinc/72/26/66/1064722666.db2.gz COECPTVASFSFOL-DVECYGJZSA-N 1 0 457.412 4.731 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001359955057 1064722779 /nfs/dbraw/zinc/72/27/79/1064722779.db2.gz PRUVHRVUVJFEAQ-UGKGYDQZSA-N 1 0 495.590 4.622 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001359955007 1064722871 /nfs/dbraw/zinc/72/28/71/1064722871.db2.gz PGNOAFMFJZTMQX-OYRHEFFESA-N 1 0 457.663 4.571 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2nccs2)cc1 ZINC001359955134 1064723511 /nfs/dbraw/zinc/72/35/11/1064723511.db2.gz QPTWSBHRWZJWLK-UHFFFAOYSA-N 1 0 468.671 4.653 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359955290 1064724585 /nfs/dbraw/zinc/72/45/85/1064724585.db2.gz YZDXDXRSJACRKF-JOCHJYFZSA-N 1 0 454.663 4.636 20 0 JJADRO O=C(CSCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(Cl)cc1 ZINC001435362028 1064724675 /nfs/dbraw/zinc/72/46/75/1064724675.db2.gz ROYGYHFHZPUFJN-RUZDIDTESA-N 1 0 457.039 4.771 20 0 JJADRO CC(C)CCOC1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359958111 1064727323 /nfs/dbraw/zinc/72/73/23/1064727323.db2.gz MOYKDFBXECHIAZ-OYRHQHFDSA-N 1 0 475.722 4.919 20 0 JJADRO CC(C)CCOC1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001359958613 1064728676 /nfs/dbraw/zinc/72/86/76/1064728676.db2.gz BJYQGUPDWJXORF-SYVJQLTCSA-N 1 0 461.695 4.672 20 0 JJADRO CC(C)CCOCCCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001359958912 1064730315 /nfs/dbraw/zinc/73/03/15/1064730315.db2.gz LRVBPQFBJPGATC-JOCHJYFZSA-N 1 0 490.490 4.835 20 0 JJADRO CC[C@H](C)n1c(SCC(=O)NC2CCC([NH+]3CCCCC3)CC2)nnc1-c1ccccc1 ZINC001435386437 1064733742 /nfs/dbraw/zinc/73/37/42/1064733742.db2.gz FFLIQZSAXFZIPF-KPQWGBOZSA-N 1 0 455.672 4.922 20 0 JJADRO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001359967324 1064742664 /nfs/dbraw/zinc/74/26/64/1064742664.db2.gz PNDSTVITUPUJOA-ZCYQVOJMSA-N 1 0 469.674 4.683 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359971121 1064747647 /nfs/dbraw/zinc/74/76/47/1064747647.db2.gz NIZNVOCXGIIKNK-GOSISDBHSA-N 1 0 464.383 4.835 20 0 JJADRO CC(C)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359973146 1064750297 /nfs/dbraw/zinc/75/02/97/1064750297.db2.gz KHLRZJDUANDQFU-VWLOTQADSA-N 1 0 469.655 4.647 20 0 JJADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001435422642 1064750635 /nfs/dbraw/zinc/75/06/35/1064750635.db2.gz ONWQIDCLNXPJFR-UHFFFAOYSA-N 1 0 456.456 4.900 20 0 JJADRO CC(C)CN(C)c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCC(C)CC1 ZINC001359973497 1064750954 /nfs/dbraw/zinc/75/09/54/1064750954.db2.gz USSOCQWBAFAYIH-UHFFFAOYSA-N 1 0 452.416 4.671 20 0 JJADRO CC(C)CN(C)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359979419 1064755078 /nfs/dbraw/zinc/75/50/78/1064755078.db2.gz FSWLVXUUCCCSGQ-UHFFFAOYSA-N 1 0 477.669 4.991 20 0 JJADRO COc1ccc([C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)c2ccccc2)cc1Br ZINC001359984451 1064761415 /nfs/dbraw/zinc/76/14/15/1064761415.db2.gz GKSWXBXUYHWRHP-QFIPXVFZSA-N 1 0 450.336 4.933 20 0 JJADRO CC(C)CN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC001359984561 1064761890 /nfs/dbraw/zinc/76/18/90/1064761890.db2.gz ANFOWZBMBCPDMB-RUZDIDTESA-N 1 0 479.673 4.563 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc3ccccc3n2)n1CC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC001359984636 1064761963 /nfs/dbraw/zinc/76/19/63/1064761963.db2.gz BRXAFLIHIXHLER-UHFFFAOYSA-N 1 0 477.701 4.638 20 0 JJADRO CC(C)CN(c1nnc(-c2cccc(Cl)c2)n1CC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC001359985725 1064764855 /nfs/dbraw/zinc/76/48/55/1064764855.db2.gz OQZKMEQFYBRTLF-UHFFFAOYSA-N 1 0 461.098 4.743 20 0 JJADRO CC(C)CN(c1nnc(-c2cccc3cccnc32)n1CC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC001359986585 1064767773 /nfs/dbraw/zinc/76/77/73/1064767773.db2.gz QYOVBTPFSQHQAE-UHFFFAOYSA-N 1 0 477.701 4.638 20 0 JJADRO CCCCOc1c(Cl)cc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1OC ZINC001435457860 1064768469 /nfs/dbraw/zinc/76/84/69/1064768469.db2.gz KDZKOUNKIFBIFU-UHFFFAOYSA-N 1 0 453.023 4.540 20 0 JJADRO CC(C)CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1)C1CCCC1 ZINC001359993558 1064777679 /nfs/dbraw/zinc/77/76/79/1064777679.db2.gz XQHLJFYNSPYGBU-SZPZYZBQSA-N 1 0 488.721 4.940 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(CC[NH+](C)C)Cc3ccco3)cc12 ZINC001435472945 1064777945 /nfs/dbraw/zinc/77/79/45/1064777945.db2.gz WJHQMEZZRPLXLE-UHFFFAOYSA-N 1 0 456.999 4.905 20 0 JJADRO COc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)c1 ZINC001435473386 1064778061 /nfs/dbraw/zinc/77/80/61/1064778061.db2.gz YEGIJGRWHVRHCH-JOCHJYFZSA-N 1 0 453.410 4.996 20 0 JJADRO CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359997719 1064783361 /nfs/dbraw/zinc/78/33/61/1064783361.db2.gz SXNRGWHXTVAOLS-UHFFFAOYSA-N 1 0 452.416 4.813 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360007186 1064794108 /nfs/dbraw/zinc/79/41/08/1064794108.db2.gz AACNHUUCKSQKCR-NZQKXSOJSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)C2)C1 ZINC001360007540 1064795022 /nfs/dbraw/zinc/79/50/22/1064795022.db2.gz DMMWNWQTQKOSSY-SFTDATJTSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccoc2)C1 ZINC001360008336 1064797585 /nfs/dbraw/zinc/79/75/85/1064797585.db2.gz PNRGWSPGMSSKBP-SFHVURJKSA-N 1 0 489.462 4.644 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360008425 1064797606 /nfs/dbraw/zinc/79/76/06/1064797606.db2.gz QWDWMXAUFJSNHW-CIAFKFPVSA-N 1 0 473.637 4.539 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001360008576 1064798058 /nfs/dbraw/zinc/79/80/58/1064798058.db2.gz TZNDZCSDPIVVKF-SIKLNZKXSA-N 1 0 490.490 4.691 20 0 JJADRO Cc1c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435512677 1064798276 /nfs/dbraw/zinc/79/82/76/1064798276.db2.gz HKJXBPJQWQGFQL-UHFFFAOYSA-N 1 0 457.500 4.810 20 0 JJADRO COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1 ZINC001435515015 1064799372 /nfs/dbraw/zinc/79/93/72/1064799372.db2.gz VOXCIXINNPTTGY-QHCPKHFHSA-N 1 0 453.583 4.804 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@@H](C)C2)C1 ZINC001360009902 1064799661 /nfs/dbraw/zinc/79/96/61/1064799661.db2.gz HIKCWYDPEACOMG-VQTJNVASSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001360010175 1064800618 /nfs/dbraw/zinc/80/06/18/1064800618.db2.gz LUXJNDUCCUGGOO-LQWHRVPQSA-N 1 0 483.554 4.608 20 0 JJADRO CN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435519549 1064802409 /nfs/dbraw/zinc/80/24/09/1064802409.db2.gz SCFKVIHUKQOSRZ-RPWUZVMVSA-N 1 0 451.611 4.766 20 0 JJADRO CN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435519545 1064802683 /nfs/dbraw/zinc/80/26/83/1064802683.db2.gz SCFKVIHUKQOSRZ-DNQXCXABSA-N 1 0 451.611 4.766 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)F)C1 ZINC001360010609 1064803737 /nfs/dbraw/zinc/80/37/37/1064803737.db2.gz SNLBXOJTQTVFIO-LJQANCHMSA-N 1 0 458.601 4.896 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)C1 ZINC001360010856 1064804445 /nfs/dbraw/zinc/80/44/45/1064804445.db2.gz XCAJHUMGXSJQAK-CEXWTWQISA-N 1 0 463.095 4.692 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360010932 1064805256 /nfs/dbraw/zinc/80/52/56/1064805256.db2.gz YNAARUWKYLGYIG-AZUAARDMSA-N 1 0 457.585 4.666 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC(C)(C)C)C1 ZINC001360011368 1064805584 /nfs/dbraw/zinc/80/55/84/1064805584.db2.gz CQWUARFEDIVMQN-FDFHNCONSA-N 1 0 490.737 4.899 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C)CC2)C1 ZINC001360011531 1064806287 /nfs/dbraw/zinc/80/62/87/1064806287.db2.gz FMPCYCUWPVRXBU-OAQYLSRUSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001360011585 1064806478 /nfs/dbraw/zinc/80/64/78/1064806478.db2.gz GOGYQLKZBKPBLG-FQEVSTJZSA-N 1 0 483.623 4.727 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3CC[C@@](O)(Cc4cccc(Cl)c4)C3)nnc2C(C)(C)C)C1 ZINC001360012061 1064807270 /nfs/dbraw/zinc/80/72/70/1064807270.db2.gz LOUJBDCUQDSZFX-WXVAWEFUSA-N 1 0 488.120 4.781 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3C[C@@H](C)O[C@H](c4ccsc4)C3)nnc2C(C)(C)C)C1 ZINC001360012401 1064810415 /nfs/dbraw/zinc/81/04/15/1064810415.db2.gz REGGGRUBJVWYCP-URVUXULASA-N 1 0 459.704 4.972 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CCC1CC[NH+](CC)CC1 ZINC001545891642 1064810409 /nfs/dbraw/zinc/81/04/09/1064810409.db2.gz DXVYOVBQGXAAQT-UHFFFAOYSA-N 1 0 478.685 4.612 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2CC2)CC1 ZINC001360017083 1064816155 /nfs/dbraw/zinc/81/61/55/1064816155.db2.gz CFMKBYRLNIBSDF-UHFFFAOYSA-N 1 0 452.828 4.549 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001360017310 1064816725 /nfs/dbraw/zinc/81/67/25/1064816725.db2.gz CWNCKIILYLCWQL-UXHICEINSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001360017737 1064818712 /nfs/dbraw/zinc/81/87/12/1064818712.db2.gz IUFFRBZMCDHFPP-RBBKRZOGSA-N 1 0 490.490 4.547 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC(C)C)CC1 ZINC001360018503 1064820267 /nfs/dbraw/zinc/82/02/67/1064820267.db2.gz RDLWXIPORCNMAL-UHFFFAOYSA-N 1 0 454.446 4.845 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccncc2Cl)CC1 ZINC001360018592 1064820336 /nfs/dbraw/zinc/82/03/36/1064820336.db2.gz SJUHVCDDSZGOLG-UHFFFAOYSA-N 1 0 463.388 4.612 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2cccs2)CC1 ZINC001360018433 1064820361 /nfs/dbraw/zinc/82/03/61/1064820361.db2.gz PHJSHUMTOORNPP-UHFFFAOYSA-N 1 0 461.582 4.629 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(F)cc(Br)c1 ZINC001360019276 1064821959 /nfs/dbraw/zinc/82/19/59/1064821959.db2.gz IKCGUIWLBIJKHT-UHFFFAOYSA-N 1 0 458.169 4.555 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001360024920 1064827446 /nfs/dbraw/zinc/82/74/46/1064827446.db2.gz NIJBMMUEYKMKJE-YTFSRNRJSA-N 1 0 488.721 4.607 20 0 JJADRO Cc1cc(C)n(-c2ccccc2CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)n1 ZINC001435554644 1064827486 /nfs/dbraw/zinc/82/74/86/1064827486.db2.gz HANQPEZCHQHIIJ-XMMPIXPASA-N 1 0 456.512 4.560 20 0 JJADRO CCc1c(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cnn1-c1ccc(Cl)cc1 ZINC001360027670 1064829263 /nfs/dbraw/zinc/82/92/63/1064829263.db2.gz WTNKJPDNSVMXAP-UHFFFAOYSA-N 1 0 459.034 4.632 20 0 JJADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)ccc1Br ZINC001360028859 1064830147 /nfs/dbraw/zinc/83/01/47/1064830147.db2.gz YOIWJPMOJGJGDA-UHFFFAOYSA-N 1 0 459.306 4.681 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC001360028592 1064830456 /nfs/dbraw/zinc/83/04/56/1064830456.db2.gz NCZIULFMIJJYCT-UHFFFAOYSA-N 1 0 452.002 4.782 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOC2CCCCCC2)CC1 ZINC001360030987 1064832933 /nfs/dbraw/zinc/83/29/33/1064832933.db2.gz SKZQFAUPQCETPT-UHFFFAOYSA-N 1 0 475.628 4.665 20 0 JJADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001360031823 1064833792 /nfs/dbraw/zinc/83/37/92/1064833792.db2.gz FUENCFGDMSPKJZ-GOSISDBHSA-N 1 0 453.371 4.886 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CCCc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001360032218 1064834302 /nfs/dbraw/zinc/83/43/02/1064834302.db2.gz TXDVKYBGVSKYNL-UHFFFAOYSA-N 1 0 486.586 4.694 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(C)(C)C)C1 ZINC001360035035 1064840039 /nfs/dbraw/zinc/84/00/39/1064840039.db2.gz JDKYRPYXZBOIMO-GOSISDBHSA-N 1 0 496.469 4.686 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)c2ccco2)C1 ZINC001360038081 1064848921 /nfs/dbraw/zinc/84/89/21/1064848921.db2.gz AZGYJCNBHXMSMH-UGKGYDQZSA-N 1 0 488.032 4.658 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC001435584717 1064849432 /nfs/dbraw/zinc/84/94/32/1064849432.db2.gz IDRFREWHAMOZDU-OFNKIYASSA-N 1 0 451.611 4.742 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(N(C)C[C@H]3CCCO[C@@H]3c3ccccc3)nnc2C(C)(C)C)C1 ZINC001360038767 1064850795 /nfs/dbraw/zinc/85/07/95/1064850795.db2.gz JKPAXDKJIGPFEW-DSNGMDLFSA-N 1 0 483.701 4.537 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(N3CCC[C@@H](c4nc(C(C)C)cs4)C3)nnc2C(C)(C)C)C1 ZINC001360039054 1064852248 /nfs/dbraw/zinc/85/22/48/1064852248.db2.gz LZQJCNGCBBEAHJ-RTWAWAEBSA-N 1 0 488.746 4.896 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(N3CCC[C@H](c4nc(C(C)C)cs4)C3)nnc2C(C)(C)C)C1 ZINC001360039052 1064852352 /nfs/dbraw/zinc/85/23/52/1064852352.db2.gz LZQJCNGCBBEAHJ-LEWJYISDSA-N 1 0 488.746 4.896 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@H](C)c2ccccc2)C1 ZINC001360039642 1064853378 /nfs/dbraw/zinc/85/33/78/1064853378.db2.gz QOBZLZXANMIFBP-ADXHGGABSA-N 1 0 497.728 4.793 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)s3)C2)C1 ZINC001360039769 1064854261 /nfs/dbraw/zinc/85/42/61/1064854261.db2.gz MXSCBNUYSCCGMU-RTBURBONSA-N 1 0 496.121 4.516 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)C2CCCCC2)C1 ZINC001360040199 1064854409 /nfs/dbraw/zinc/85/44/09/1064854409.db2.gz VQVGWTYMHBMYOC-KVZCNWPJSA-N 1 0 489.749 4.959 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001360040307 1064855348 /nfs/dbraw/zinc/85/53/48/1064855348.db2.gz PNIGTKBQAHXABP-NZQKXSOJSA-N 1 0 474.093 4.752 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001435593951 1064860132 /nfs/dbraw/zinc/86/01/32/1064860132.db2.gz RYBLFCBAIJSGCZ-JVYGEBFASA-N 1 0 459.638 4.619 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001435593952 1064860188 /nfs/dbraw/zinc/86/01/88/1064860188.db2.gz RYBLFCBAIJSGCZ-XDZXDJIYSA-N 1 0 459.638 4.619 20 0 JJADRO CC(C)COC(=O)N1CCN(c2nnc(C3CCCC3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001360045985 1064864711 /nfs/dbraw/zinc/86/47/11/1064864711.db2.gz GAEYSLYQTWPPQE-UHFFFAOYSA-N 1 0 474.694 4.507 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C)o3)s2)cc1OC ZINC001435603480 1064867437 /nfs/dbraw/zinc/86/74/37/1064867437.db2.gz IRFLISYYLKZUIT-UHFFFAOYSA-N 1 0 455.580 4.649 20 0 JJADRO 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CC(C)CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001360058773 1064896175 /nfs/dbraw/zinc/89/61/75/1064896175.db2.gz VRFPTUXFBJRECY-REWPJTCUSA-N 1 0 474.049 4.585 20 0 JJADRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC001360061100 1064900344 /nfs/dbraw/zinc/90/03/44/1064900344.db2.gz VLMDKTSHYBFFLA-BTZRARBUSA-N 1 0 461.993 4.699 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001360061839 1064901832 /nfs/dbraw/zinc/90/18/32/1064901832.db2.gz CWKCKEZMSOVCSC-CVDCTZTESA-N 1 0 475.628 4.519 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001360062087 1064901947 /nfs/dbraw/zinc/90/19/47/1064901947.db2.gz FVCUKGMCZBPPDF-XMMPIXPASA-N 1 0 467.702 4.955 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC001360063427 1064903733 /nfs/dbraw/zinc/90/37/33/1064903733.db2.gz PSHWVFZXIZTYIF-RUZDIDTESA-N 1 0 453.675 4.762 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001360063887 1064904244 /nfs/dbraw/zinc/90/42/44/1064904244.db2.gz SUZSWEQHQGOHCL-LEWJYISDSA-N 1 0 475.628 4.519 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001360063922 1064904687 /nfs/dbraw/zinc/90/46/87/1064904687.db2.gz SYTZBXLIIPMZEN-LEWJYISDSA-N 1 0 475.628 4.663 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001360066250 1064908854 /nfs/dbraw/zinc/90/88/54/1064908854.db2.gz LXYMCPKJFGFAMK-UXHICEINSA-N 1 0 459.685 4.546 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001360066256 1064909074 /nfs/dbraw/zinc/90/90/74/1064909074.db2.gz LZVZTNUBJIECAO-CXSMSNRLSA-N 1 0 489.749 4.960 20 0 JJADRO CC(C)COCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001360074022 1064919827 /nfs/dbraw/zinc/91/98/27/1064919827.db2.gz DUUIVLRDCSKJAP-MQSUGXTHSA-N 1 0 489.749 4.960 20 0 JJADRO CC(C)CSCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360076214 1064924253 /nfs/dbraw/zinc/92/42/53/1064924253.db2.gz JIIZCINWDVQEQM-UHFFFAOYSA-N 1 0 487.714 4.806 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cccc(N3CCOC3=O)c2)cc1)C[C@H]1CCCCO1 ZINC001435671700 1064924415 /nfs/dbraw/zinc/92/44/15/1064924415.db2.gz BILKUVSBIUXJFL-XMMPIXPASA-N 1 0 451.567 4.675 20 0 JJADRO CC(=O)N[C@@H](CC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1)c1cccs1 ZINC001435672383 1064925887 /nfs/dbraw/zinc/92/58/87/1064925887.db2.gz GDWDNJBIKJYQQE-GOTSBHOMSA-N 1 0 457.640 4.734 20 0 JJADRO CC(C)CSCCCn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001360080019 1064936035 /nfs/dbraw/zinc/93/60/35/1064936035.db2.gz SMMHCEANAMSSOI-UHFFFAOYSA-N 1 0 470.731 4.744 20 0 JJADRO CC(C)CSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001360080440 1064938526 /nfs/dbraw/zinc/93/85/26/1064938526.db2.gz HXSKKVLLUAESJS-HXUWFJFHSA-N 1 0 478.106 4.536 20 0 JJADRO CC(C)CSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001360082844 1064942856 /nfs/dbraw/zinc/94/28/56/1064942856.db2.gz NUHNDJWNPVNJFW-OAQYLSRUSA-N 1 0 491.149 4.592 20 0 JJADRO CC(C)CSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360083624 1064946100 /nfs/dbraw/zinc/94/61/00/1064946100.db2.gz MWZYTUJHQSXOAF-OAQYLSRUSA-N 1 0 473.735 4.549 20 0 JJADRO C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435702225 1064946716 /nfs/dbraw/zinc/94/67/16/1064946716.db2.gz IYPUBNNCAIECOL-APWZRJJASA-N 1 0 456.999 4.509 20 0 JJADRO CC(C)CSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001360085556 1064947664 /nfs/dbraw/zinc/94/76/64/1064947664.db2.gz COWNOGLKYIRVQL-XZOQPEGZSA-N 1 0 457.688 4.620 20 0 JJADRO COc1ccc(Br)cc1C1(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001435707791 1064949658 /nfs/dbraw/zinc/94/96/58/1064949658.db2.gz WFAQKACLBDGYTO-MJGOQNOKSA-N 1 0 457.412 4.516 20 0 JJADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1oc2ccccc2c1Br ZINC001435714331 1064951933 /nfs/dbraw/zinc/95/19/33/1064951933.db2.gz LJTBAFQCSOHXEX-UHFFFAOYSA-N 1 0 457.368 4.642 20 0 JJADRO Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC001360087836 1064953138 /nfs/dbraw/zinc/95/31/38/1064953138.db2.gz REIZQOCFXSINOE-OAQYLSRUSA-N 1 0 453.652 4.748 20 0 JJADRO COc1ccc(/C=C(\C)C(=O)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cc1F ZINC001435723444 1064955455 /nfs/dbraw/zinc/95/54/55/1064955455.db2.gz IOUCRTYMMZGPJF-HAEKXNGDSA-N 1 0 454.586 4.563 20 0 JJADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001360089740 1064956398 /nfs/dbraw/zinc/95/63/98/1064956398.db2.gz YHSAERPFOVSCEI-UHFFFAOYSA-N 1 0 487.092 4.556 20 0 JJADRO Cc1ccc(C(=O)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cc1Br ZINC001435726052 1064957688 /nfs/dbraw/zinc/95/76/88/1064957688.db2.gz WSQISZRMPRJKII-OALUTQOASA-N 1 0 459.428 4.697 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C(F)(F)c3ccc(Cl)cc3)cc2)C[C@H]1C ZINC001435726169 1064958309 /nfs/dbraw/zinc/95/83/09/1064958309.db2.gz XMGHMIKQBIXKSU-QZTJIDSGSA-N 1 0 450.957 4.757 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@](C)(O)C(C)C)CC1 ZINC001360092332 1064960460 /nfs/dbraw/zinc/96/04/60/1064960460.db2.gz BFJKZEBGXWKYJC-SANMLTNESA-N 1 0 453.631 4.655 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001360092297 1064960738 /nfs/dbraw/zinc/96/07/38/1064960738.db2.gz AFQDKKUQIQWAIY-JOCHJYFZSA-N 1 0 490.737 4.779 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360092409 1064961381 /nfs/dbraw/zinc/96/13/81/1064961381.db2.gz DXGDERJTWIKZJW-YADHBBJMSA-N 1 0 461.601 4.890 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360092594 1064963180 /nfs/dbraw/zinc/96/31/80/1064963180.db2.gz LIYLBNMARNSRNY-WIOPSUGQSA-N 1 0 451.659 4.853 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001435733787 1064963684 /nfs/dbraw/zinc/96/36/84/1064963684.db2.gz WECXXDFGAQCKCM-IQFVJIFQSA-N 1 0 457.659 4.542 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001360092718 1064963685 /nfs/dbraw/zinc/96/36/85/1064963685.db2.gz PSDZGXXNFFRMCY-UHFFFAOYSA-N 1 0 488.721 4.699 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC001360092971 1064965098 /nfs/dbraw/zinc/96/50/98/1064965098.db2.gz ZMHPRZMGDGUBMI-OAQYLSRUSA-N 1 0 453.675 4.761 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2OC(F)F)CC1 ZINC001360094800 1064966939 /nfs/dbraw/zinc/96/69/39/1064966939.db2.gz MENZMNLBGUAKHO-JOCHJYFZSA-N 1 0 477.600 4.726 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CCSCC(F)(F)F)CC1 ZINC001360095011 1064967664 /nfs/dbraw/zinc/96/76/64/1064967664.db2.gz UCOQNKIHSIOZNZ-UHFFFAOYSA-N 1 0 455.594 4.797 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCc2ccccc2OC(F)F)CC1 ZINC001360095100 1064968484 /nfs/dbraw/zinc/96/84/84/1064968484.db2.gz XIOZOSVFCWNBCD-UHFFFAOYSA-N 1 0 484.595 4.741 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2-n2ccnc2)CC1 ZINC001360095258 1064968688 /nfs/dbraw/zinc/96/86/88/1064968688.db2.gz CDHASRMCQQMYSK-UHFFFAOYSA-N 1 0 463.674 4.657 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CCCc2nccs2)CC1 ZINC001360095347 1064968988 /nfs/dbraw/zinc/96/89/88/1064968988.db2.gz GMVXDGHMPSVIBA-UHFFFAOYSA-N 1 0 470.662 4.654 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCc3cccnc32)CC1 ZINC001360095379 1064969024 /nfs/dbraw/zinc/96/90/24/1064969024.db2.gz HJBRMGCWODKKPI-HSZRJFAPSA-N 1 0 452.691 4.938 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CC=CCC2)CC1 ZINC001360095416 1064969805 /nfs/dbraw/zinc/96/98/05/1064969805.db2.gz IHZLXPXNWKBHAO-NRFANRHFSA-N 1 0 455.622 4.909 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CCc3ccccc3)n2CCSC(F)(F)F)CC1 ZINC001360095655 1064970128 /nfs/dbraw/zinc/97/01/28/1064970128.db2.gz MZFLJFBKKQBGKJ-UHFFFAOYSA-N 1 0 469.621 4.873 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)c2ccc(F)cc2)CC1 ZINC001360096145 1064972172 /nfs/dbraw/zinc/97/21/72/1064972172.db2.gz YXIIEEMHNIZTDZ-UHFFFAOYSA-N 1 0 478.660 4.937 20 0 JJADRO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749352 1064972458 /nfs/dbraw/zinc/97/24/58/1064972458.db2.gz MOPJGCZEYRLCQJ-GIMINZRKSA-N 1 0 457.981 4.926 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001360097318 1064973798 /nfs/dbraw/zinc/97/37/98/1064973798.db2.gz CQPYACRQMBKRFC-LJQANCHMSA-N 1 0 479.025 4.502 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360097373 1064974019 /nfs/dbraw/zinc/97/40/19/1064974019.db2.gz FLCKYBFAEKTSCO-QGZVFWFLSA-N 1 0 470.406 4.919 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001360097393 1064974652 /nfs/dbraw/zinc/97/46/52/1064974652.db2.gz GCRMENSYEZPWBP-UTKZUKDTSA-N 1 0 494.453 4.582 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC=C(Br)C1 ZINC001360097501 1064974929 /nfs/dbraw/zinc/97/49/29/1064974929.db2.gz JHJADKHODOGFQN-UHFFFAOYSA-N 1 0 484.446 4.554 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001360097507 1064974983 /nfs/dbraw/zinc/97/49/83/1064974983.db2.gz JKXQNUOHOSYYAP-HXUWFJFHSA-N 1 0 485.474 4.835 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N(C)CCOC(C)(C)C ZINC001360097511 1064975504 /nfs/dbraw/zinc/97/55/04/1064975504.db2.gz JNRADDBPFZBEIA-UHFFFAOYSA-N 1 0 466.468 4.689 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001360097554 1064975736 /nfs/dbraw/zinc/97/57/36/1064975736.db2.gz LDEUPZDDVQUNEF-UHFFFAOYSA-N 1 0 497.087 4.545 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC001360097879 1064976069 /nfs/dbraw/zinc/97/60/69/1064976069.db2.gz SRKCYXMDDQERGB-UHFFFAOYSA-N 1 0 481.044 4.823 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001360097654 1064976485 /nfs/dbraw/zinc/97/64/85/1064976485.db2.gz OYWYTJSQQLBYAJ-SFTDATJTSA-N 1 0 450.002 4.616 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 ZINC001360098027 1064976947 /nfs/dbraw/zinc/97/69/47/1064976947.db2.gz GRFQRYABGINQOF-UHFFFAOYSA-N 1 0 464.383 4.806 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001360097927 1064977164 /nfs/dbraw/zinc/97/71/64/1064977164.db2.gz FJFFFZRJAGQGOC-UPVQGACJSA-N 1 0 450.631 4.608 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001360098331 1064978029 /nfs/dbraw/zinc/97/80/29/1064978029.db2.gz ODGCQRXPTOOKAE-UHFFFAOYSA-N 1 0 487.092 4.558 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001360100068 1064979563 /nfs/dbraw/zinc/97/95/63/1064979563.db2.gz GJANSYZEZJIBEI-FQEVSTJZSA-N 1 0 464.452 4.649 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001360100448 1064980213 /nfs/dbraw/zinc/98/02/13/1064980213.db2.gz MUODJUBLXLTQJF-LEWJYISDSA-N 1 0 488.677 4.913 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001360100854 1064980306 /nfs/dbraw/zinc/98/03/06/1064980306.db2.gz WVAZZMIIKBVFFH-GOSISDBHSA-N 1 0 471.543 4.697 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@H+](C)C(C)C ZINC001360101107 1064980699 /nfs/dbraw/zinc/98/06/99/1064980699.db2.gz FLMYXWPZDGQUTO-HSZRJFAPSA-N 1 0 469.655 4.997 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cccs2)CC1 ZINC001360101338 1064980755 /nfs/dbraw/zinc/98/07/55/1064980755.db2.gz LJIUPGYRLNBMGR-UHFFFAOYSA-N 1 0 473.090 4.641 20 0 JJADRO CC(C)n1nc(-c2nnc(N(C)Cc3cccs3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001360100902 1064981126 /nfs/dbraw/zinc/98/11/26/1064981126.db2.gz YNEKOMXVVOQDSW-UHFFFAOYSA-N 1 0 493.681 4.664 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(N2CCO[C@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C ZINC001360103599 1064984173 /nfs/dbraw/zinc/98/41/73/1064984173.db2.gz RFOGFPFSJRPWPD-FQEVSTJZSA-N 1 0 452.018 4.676 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001360104730 1064985784 /nfs/dbraw/zinc/98/57/84/1064985784.db2.gz WJGIWFWHQHEART-KRWDZBQOSA-N 1 0 475.410 4.509 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001360104732 1064985839 /nfs/dbraw/zinc/98/58/39/1064985839.db2.gz WJGIWFWHQHEART-QGZVFWFLSA-N 1 0 475.410 4.509 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001360106477 1064988235 /nfs/dbraw/zinc/98/82/35/1064988235.db2.gz DONPIWZPIRSERC-LJQANCHMSA-N 1 0 473.090 4.883 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001360109343 1064990847 /nfs/dbraw/zinc/99/08/47/1064990847.db2.gz BGZXNJFNAMKQEN-JOCHJYFZSA-N 1 0 461.054 4.594 20 0 JJADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001360109841 1064991505 /nfs/dbraw/zinc/99/15/05/1064991505.db2.gz JPPVDCYVELQPKF-GGAORHGYSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C1CCC1 ZINC001360109588 1064991750 /nfs/dbraw/zinc/99/17/50/1064991750.db2.gz IBYWQDPIXXHHBS-VXKWHMMOSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001360109587 1064991837 /nfs/dbraw/zinc/99/18/37/1064991837.db2.gz IBYWQDPIXXHHBS-FGZHOGPDSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001360111112 1064992380 /nfs/dbraw/zinc/99/23/80/1064992380.db2.gz YXDMZGURSZVFTN-XPWALMASSA-N 1 0 488.721 4.749 20 0 JJADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H](Sc3ccc(F)cc3F)c3ccccc3)CC2)c1 ZINC001360112160 1064993452 /nfs/dbraw/zinc/99/34/52/1064993452.db2.gz KMQZYGWCMJHAKG-HSZRJFAPSA-N 1 0 455.530 4.551 20 0 JJADRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H](Sc3ccc(F)cc3F)c3ccccc3)CC2)c1 ZINC001360112161 1064993941 /nfs/dbraw/zinc/99/39/41/1064993941.db2.gz KMQZYGWCMJHAKG-QHCPKHFHSA-N 1 0 455.530 4.551 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CC2CC2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001360113298 1064994752 /nfs/dbraw/zinc/99/47/52/1064994752.db2.gz VXOUCFQCLFNFIF-UHFFFAOYSA-N 1 0 484.998 4.570 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCC(c2ccsc2)CC1 ZINC001360112998 1064994805 /nfs/dbraw/zinc/99/48/05/1064994805.db2.gz PTPOEKFXDPUBGM-UHFFFAOYSA-N 1 0 453.656 4.685 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001360113246 1064994828 /nfs/dbraw/zinc/99/48/28/1064994828.db2.gz UMDAYGDSCNKHLA-FXAWDEMLSA-N 1 0 482.456 4.509 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCSC2(CCCCC2)C1 ZINC001360113500 1064995669 /nfs/dbraw/zinc/99/56/69/1064995669.db2.gz DEBKXXYFMXTJTI-UHFFFAOYSA-N 1 0 461.651 4.593 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360113424 1064995795 /nfs/dbraw/zinc/99/57/95/1064995795.db2.gz AJAGEIAEDLAAHG-HZPDHXFCSA-N 1 0 499.544 4.858 20 0 JJADRO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360115839 1064998383 /nfs/dbraw/zinc/99/83/83/1064998383.db2.gz LTLOPMVFTNAPHJ-QFIPXVFZSA-N 1 0 457.638 4.991 20 0 JJADRO Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1NC(=O)CC[NH+](C)C ZINC001435803142 1065000083 /nfs/dbraw/zinc/00/00/83/1065000083.db2.gz VJASRZVAMGQZIX-UHFFFAOYSA-N 1 0 458.562 4.698 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCSCC1 ZINC001360116725 1065001744 /nfs/dbraw/zinc/00/17/44/1065001744.db2.gz OEKPDNYDPGXZBM-UHFFFAOYSA-N 1 0 475.037 4.596 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCCOC2)n1CC1([NH+](C)C)CCCCC1 ZINC001360116930 1065002530 /nfs/dbraw/zinc/00/25/30/1065002530.db2.gz VNUWSZIAJOKWBZ-JOCHJYFZSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCCOC2)n1CC1([NH+](C)C)CCCCC1 ZINC001360116931 1065002569 /nfs/dbraw/zinc/00/25/69/1065002569.db2.gz VNUWSZIAJOKWBZ-QFIPXVFZSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc(CC2CCCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001360118227 1065003353 /nfs/dbraw/zinc/00/33/53/1065003353.db2.gz CGHXRSKYQQQIFP-UHFFFAOYSA-N 1 0 470.681 4.591 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001360120191 1065007857 /nfs/dbraw/zinc/00/78/57/1065007857.db2.gz YBGGCIZOUUPEPX-NFBKMPQASA-N 1 0 455.578 4.622 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001360124024 1065015908 /nfs/dbraw/zinc/01/59/08/1065015908.db2.gz SYFCBTUQLUPGLE-HSZRJFAPSA-N 1 0 484.689 4.948 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CCOC2)C1)C(C)C ZINC001360124315 1065016575 /nfs/dbraw/zinc/01/65/75/1065016575.db2.gz ZYXNGXJJBODWCA-XMMPIXPASA-N 1 0 464.029 4.863 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CCCC2)nnc1N1CCC(O)(c2ccccc2)CC1)C(C)C ZINC001360125144 1065017151 /nfs/dbraw/zinc/01/71/51/1065017151.db2.gz ACQVFKSVFDDHEC-UHFFFAOYSA-N 1 0 453.675 4.933 20 0 JJADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(I)c(Cl)cc1Cl ZINC001435839658 1065017928 /nfs/dbraw/zinc/01/79/28/1065017928.db2.gz WAOYPQCJUDRDJH-UHFFFAOYSA-N 1 0 457.183 4.792 20 0 JJADRO C[NH+](C)CC1(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)CCCC1 ZINC001435841229 1065018285 /nfs/dbraw/zinc/01/82/85/1065018285.db2.gz XCZWOUYESVDLPU-GOSISDBHSA-N 1 0 457.537 4.509 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001360125973 1065018784 /nfs/dbraw/zinc/01/87/84/1065018784.db2.gz BODIJZKSZMWYJU-HSZRJFAPSA-N 1 0 485.648 4.529 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)C(C)C ZINC001360126079 1065019161 /nfs/dbraw/zinc/01/91/61/1065019161.db2.gz GSJNKYRGRXBPIJ-LJQANCHMSA-N 1 0 486.652 4.512 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCSC1)C(C)C ZINC001360126155 1065019218 /nfs/dbraw/zinc/01/92/18/1065019218.db2.gz IXDQUCHQEUWSIU-NJDAHSKKSA-N 1 0 451.725 4.647 20 0 JJADRO CC(C)[NH+](CCCn1c(COc2ccccc2F)nnc1N1CCOC2(CCCC2)C1)C(C)C ZINC001360125976 1065019294 /nfs/dbraw/zinc/01/92/94/1065019294.db2.gz BRNFPZHBGUWBEN-UHFFFAOYSA-N 1 0 473.637 4.655 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC001360126280 1065019664 /nfs/dbraw/zinc/01/96/64/1065019664.db2.gz MNNLENYNFXAPEL-FQEVSTJZSA-N 1 0 491.606 4.804 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2CCOC2)nnc1N1CCc2cccc(Br)c2C1)C(C)C ZINC001360126343 1065019711 /nfs/dbraw/zinc/01/97/11/1065019711.db2.gz OJBUNAMGUFUARG-FQEVSTJZSA-N 1 0 490.490 4.616 20 0 JJADRO CC(C)[NH+](CCCn1c(CC2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)C(C)C ZINC001360126172 1065019762 /nfs/dbraw/zinc/01/97/62/1065019762.db2.gz JMDDZFUVLXAQAN-CUNXSJBXSA-N 1 0 488.721 4.623 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)OC1CCCC1)C(C)C ZINC001360126448 1065020332 /nfs/dbraw/zinc/02/03/32/1065020332.db2.gz RDTBCLLMMGYCEU-HSZRJFAPSA-N 1 0 457.619 4.610 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccco2)C1)C(C)C ZINC001360128187 1065022237 /nfs/dbraw/zinc/02/22/37/1065022237.db2.gz CUCFTMLHYMEEDT-GOSISDBHSA-N 1 0 489.462 4.752 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc3cccnc32)nnc1N1CCC(O)(C(F)(F)F)CC1)C(C)C ZINC001360128388 1065022456 /nfs/dbraw/zinc/02/24/56/1065022456.db2.gz HLIDVPIBHSCJDC-UHFFFAOYSA-N 1 0 490.574 4.506 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc[nH]2)nnc1N1Cc2cccc(Br)c2C1)C(C)C ZINC001360128519 1065023025 /nfs/dbraw/zinc/02/30/25/1065023025.db2.gz GZXUSKQLFSIBQC-UHFFFAOYSA-N 1 0 457.420 4.675 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)C(C)C ZINC001360128544 1065023063 /nfs/dbraw/zinc/02/30/63/1065023063.db2.gz KYIDLDRHRPFHML-FQEVSTJZSA-N 1 0 470.065 4.520 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]2CCC[C@@H]21)C(C)C ZINC001360129028 1065024353 /nfs/dbraw/zinc/02/43/53/1065024353.db2.gz QUWXJPHNIYRULU-XLIONFOSSA-N 1 0 463.468 4.923 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C(C)C ZINC001360129230 1065024678 /nfs/dbraw/zinc/02/46/78/1065024678.db2.gz ONOBZEUUDWDDPZ-IBGZPJMESA-N 1 0 490.578 4.516 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1[C@H]1CCCO1)C(C)C ZINC001360129319 1065024717 /nfs/dbraw/zinc/02/47/17/1065024717.db2.gz UTLFKJVWIFGDLI-FCHUYYIVSA-N 1 0 490.490 4.974 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1[C@@H]1CCCO1)C(C)C ZINC001360129321 1065024970 /nfs/dbraw/zinc/02/49/70/1065024970.db2.gz UTLFKJVWIFGDLI-VXKWHMMOSA-N 1 0 490.490 4.974 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C(C)C ZINC001360129395 1065025173 /nfs/dbraw/zinc/02/51/73/1065025173.db2.gz QDJKDFPQGZZCNR-MUUNZHRXSA-N 1 0 493.700 4.891 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2F)CC1)C(C)C ZINC001360129522 1065025333 /nfs/dbraw/zinc/02/53/33/1065025333.db2.gz XEXOXPOFPMSOOG-UHFFFAOYSA-N 1 0 486.039 4.578 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@@H]1CCCCO1)C(C)C ZINC001360129873 1065025827 /nfs/dbraw/zinc/02/58/27/1065025827.db2.gz XCIVRGQNWJAFCW-NRFANRHFSA-N 1 0 452.647 4.561 20 0 JJADRO CC(C)[NH+](CCn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C(C)C ZINC001360129808 1065025914 /nfs/dbraw/zinc/02/59/14/1065025914.db2.gz VYLOVPUPDPVPDW-OAQYLSRUSA-N 1 0 450.002 4.645 20 0 JJADRO COc1ccccc1-c1cc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)no1 ZINC001435856987 1065027655 /nfs/dbraw/zinc/02/76/55/1065027655.db2.gz YIQPRNWNORRTRV-QHCPKHFHSA-N 1 0 455.505 4.974 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC001360133032 1065028246 /nfs/dbraw/zinc/02/82/46/1065028246.db2.gz ZVUCGDHXYMIUKL-HSZRJFAPSA-N 1 0 457.659 4.879 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2CCCO2)CC1)C(C)C ZINC001360133770 1065029141 /nfs/dbraw/zinc/02/91/41/1065029141.db2.gz ZZUVLYVMUURBCL-DEOSSOPVSA-N 1 0 475.628 4.661 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CC[C@@H]21)C(C)C ZINC001360133734 1065029292 /nfs/dbraw/zinc/02/92/92/1065029292.db2.gz ZBOVMRNGRQSGTF-GGAORHGYSA-N 1 0 488.721 4.890 20 0 JJADRO CC(C)[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC001360134003 1065029559 /nfs/dbraw/zinc/02/95/59/1065029559.db2.gz BGDKTVBRIXDKHC-OAQYLSRUSA-N 1 0 498.672 4.521 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCN(c2cc(F)ccc2F)CC1)C(C)C ZINC001360134058 1065030209 /nfs/dbraw/zinc/03/02/09/1065030209.db2.gz CRKZBOUYSUZRCZ-UHFFFAOYSA-N 1 0 474.644 4.734 20 0 JJADRO CC(C)[NH+](CCn1c(N(C)C[C@H]2CCCOC2)nnc1C1(c2ccccc2)CCC1)C(C)C ZINC001360135270 1065031530 /nfs/dbraw/zinc/03/15/30/1065031530.db2.gz ULKLCUZDBOHTNS-HSZRJFAPSA-N 1 0 453.675 4.730 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)C ZINC001360135476 1065032191 /nfs/dbraw/zinc/03/21/91/1065032191.db2.gz WTPFLEHFIGJWAZ-NRFANRHFSA-N 1 0 476.710 4.575 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc(Cc2ccsc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001360135865 1065032236 /nfs/dbraw/zinc/03/22/36/1065032236.db2.gz CRMZAVKGBSIKKS-UHFFFAOYSA-N 1 0 485.673 4.720 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001360136157 1065032251 /nfs/dbraw/zinc/03/22/51/1065032251.db2.gz BPDUXLYOCXBRAH-LJQANCHMSA-N 1 0 460.066 4.706 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)OC2CCCC2)CC1 ZINC001360136236 1065032656 /nfs/dbraw/zinc/03/26/56/1065032656.db2.gz ILIQGYWGISYXBZ-UHFFFAOYSA-N 1 0 494.105 4.770 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(C(F)F)c3)CC2)CC1 ZINC001360136557 1065032685 /nfs/dbraw/zinc/03/26/85/1065032685.db2.gz GTDQHQVSWHCKLA-UHFFFAOYSA-N 1 0 474.644 4.556 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Br)cc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001360136974 1065033215 /nfs/dbraw/zinc/03/32/15/1065033215.db2.gz LTOSFRWGFWGQPG-UHFFFAOYSA-N 1 0 490.490 4.569 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001360136968 1065033243 /nfs/dbraw/zinc/03/32/43/1065033243.db2.gz LMCCUMLCRFMNRV-SFHVURJKSA-N 1 0 489.567 4.572 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(N3CCc4cc(OCC(C)(C)C)ccc4C3)nnc2C(C)(C)C)CC1 ZINC001360138342 1065033934 /nfs/dbraw/zinc/03/39/34/1065033934.db2.gz DVVVTZKTYIUWIJ-UHFFFAOYSA-N 1 0 497.728 4.799 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccccn2)C1 ZINC001360138729 1065035144 /nfs/dbraw/zinc/03/51/44/1065035144.db2.gz JVNDXQQLZWASBL-LJQANCHMSA-N 1 0 483.458 4.859 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)CCC(F)F)C1 ZINC001360139566 1065036404 /nfs/dbraw/zinc/03/64/04/1065036404.db2.gz RMUWZGVRDWSJDQ-AWEZNQCLSA-N 1 0 476.435 4.981 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001360140208 1065036785 /nfs/dbraw/zinc/03/67/85/1065036785.db2.gz ZHHLHTKGZHVNFH-HNNXBMFYSA-N 1 0 467.565 4.505 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001360140443 1065037769 /nfs/dbraw/zinc/03/77/69/1065037769.db2.gz DIELJSJXMGWBQJ-OAQYLSRUSA-N 1 0 464.580 4.553 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360140620 1065038149 /nfs/dbraw/zinc/03/81/49/1065038149.db2.gz HOXVGLRKRYIMOC-FQEVSTJZSA-N 1 0 479.591 4.799 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360140841 1065038797 /nfs/dbraw/zinc/03/87/97/1065038797.db2.gz JPFNLLLLAADMSJ-IRLDBZIGSA-N 1 0 477.600 4.878 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001360141085 1065039735 /nfs/dbraw/zinc/03/97/35/1065039735.db2.gz MAYDFRHWEPOKRR-ZBLYBZFDSA-N 1 0 471.665 4.770 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCCc2ccccc2)C1 ZINC001360141635 1065041183 /nfs/dbraw/zinc/04/11/83/1065041183.db2.gz QYBJIYVWSUGGIR-JWQCQUIFSA-N 1 0 453.675 4.752 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360142464 1065042319 /nfs/dbraw/zinc/04/23/19/1065042319.db2.gz WXCLZBZMPVYROG-GOSISDBHSA-N 1 0 481.538 4.815 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360142243 1065042372 /nfs/dbraw/zinc/04/23/72/1065042372.db2.gz VYRDSSWDVCBNLH-FUHWJXTLSA-N 1 0 482.492 4.710 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)C1 ZINC001360142761 1065042975 /nfs/dbraw/zinc/04/29/75/1065042975.db2.gz ZNVQVDBXGGCJLD-SFHVURJKSA-N 1 0 492.437 4.606 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(F)cn2)CC1 ZINC001360143456 1065043584 /nfs/dbraw/zinc/04/35/84/1065043584.db2.gz HBJNKAMNBDBKEM-UHFFFAOYSA-N 1 0 463.388 4.755 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCCOC(F)(F)F)CC1 ZINC001360143335 1065043640 /nfs/dbraw/zinc/04/36/40/1065043640.db2.gz DUFQJBMDNAMHPX-UHFFFAOYSA-N 1 0 490.368 4.555 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)CC1 ZINC001360143311 1065043710 /nfs/dbraw/zinc/04/37/10/1065043710.db2.gz DRNRWDDZEVKYCA-QGZVFWFLSA-N 1 0 452.430 4.599 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccncc2Cl)CC1 ZINC001360143570 1065043801 /nfs/dbraw/zinc/04/38/01/1065043801.db2.gz IJXIMJQWBFJWAB-UHFFFAOYSA-N 1 0 463.388 4.755 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001360143339 1065044015 /nfs/dbraw/zinc/04/40/15/1065044015.db2.gz DXLSPIOFSNXUKW-MGBGTMOVSA-N 1 0 473.731 4.710 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2sccc2Br)CC1 ZINC001360143613 1065044489 /nfs/dbraw/zinc/04/44/89/1065044489.db2.gz JYXZWCAUWBHQEZ-UHFFFAOYSA-N 1 0 495.878 4.786 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCCCCC2)CC1 ZINC001360143775 1065044640 /nfs/dbraw/zinc/04/46/40/1065044640.db2.gz LWQJWYBGALPUNJ-UHFFFAOYSA-N 1 0 477.600 4.552 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC[C@@H]2CCCO2)CC1 ZINC001360144204 1065045386 /nfs/dbraw/zinc/04/53/86/1065045386.db2.gz WUCFZXGHDHPCEO-FQEVSTJZSA-N 1 0 496.483 4.758 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001360144346 1065045941 /nfs/dbraw/zinc/04/59/41/1065045941.db2.gz FNOPKDXWYUXDEY-UHFFFAOYSA-N 1 0 458.532 4.522 20 0 JJADRO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001435888826 1065046208 /nfs/dbraw/zinc/04/62/08/1065046208.db2.gz FYMMTYSKGGMBJZ-GAASDFDMSA-N 1 0 452.904 4.693 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC=CCC2)CC1 ZINC001360144295 1065046370 /nfs/dbraw/zinc/04/63/70/1065046370.db2.gz YMYZJPJOFGPFAE-LJQANCHMSA-N 1 0 458.448 4.984 20 0 JJADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc2cc(Br)ccc2s1 ZINC001435889843 1065047194 /nfs/dbraw/zinc/04/71/94/1065047194.db2.gz MZWDGDHSCIWQNZ-IBGZPJMESA-N 1 0 459.409 4.685 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)CC1 ZINC001360146211 1065047847 /nfs/dbraw/zinc/04/78/47/1065047847.db2.gz GNJWSCQOIJAWPC-XZOQPEGZSA-N 1 0 486.705 4.669 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001360146725 1065048660 /nfs/dbraw/zinc/04/86/60/1065048660.db2.gz UKFAUMMBHNYCBF-HXUWFJFHSA-N 1 0 483.991 4.743 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001360146697 1065048863 /nfs/dbraw/zinc/04/88/63/1065048863.db2.gz SWUKQZDUMOIACN-QHCPKHFHSA-N 1 0 498.672 4.836 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CC2CCC(F)(F)CC2)CC1 ZINC001360147356 1065050002 /nfs/dbraw/zinc/05/00/02/1065050002.db2.gz RMHKLUDOGWESRY-UHFFFAOYSA-N 1 0 465.564 4.742 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCC=CO2)CC1 ZINC001360147433 1065050054 /nfs/dbraw/zinc/05/00/54/1065050054.db2.gz VYBBMGDZIGADIS-FQEVSTJZSA-N 1 0 462.063 4.837 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001360147302 1065050217 /nfs/dbraw/zinc/05/02/17/1065050217.db2.gz PSHVFSZVPKMKJJ-HOYKHHGWSA-N 1 0 496.483 4.636 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCOC2CCCCC2)CC1 ZINC001360147508 1065050299 /nfs/dbraw/zinc/05/02/99/1065050299.db2.gz YQQIBSLNZOWJIG-UHFFFAOYSA-N 1 0 473.637 4.656 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC=CO2)CC1 ZINC001360147434 1065050327 /nfs/dbraw/zinc/05/03/27/1065050327.db2.gz VYBBMGDZIGADIS-HXUWFJFHSA-N 1 0 462.063 4.837 20 0 JJADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001360148697 1065051145 /nfs/dbraw/zinc/05/11/45/1065051145.db2.gz ZPTCHWSXFOUXMC-UHFFFAOYSA-N 1 0 450.073 4.869 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001360149434 1065052454 /nfs/dbraw/zinc/05/24/54/1065052454.db2.gz OCDSAKKDTKSXNZ-UHFFFAOYSA-N 1 0 480.701 4.612 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCSC2)CC1 ZINC001360149498 1065053206 /nfs/dbraw/zinc/05/32/06/1065053206.db2.gz RCHHYXQKVXYVKR-MRXNPFEDSA-N 1 0 454.471 4.926 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001360150558 1065054342 /nfs/dbraw/zinc/05/43/42/1065054342.db2.gz GFNUPVRYFBFNID-HNAYVOBHSA-N 1 0 453.505 4.536 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)[C@H](C)C1 ZINC001360150786 1065054889 /nfs/dbraw/zinc/05/48/89/1065054889.db2.gz LRFNWPYOXFLICR-UTKZUKDTSA-N 1 0 452.039 4.582 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(C)CCCS2)CC1 ZINC001360153029 1065056202 /nfs/dbraw/zinc/05/62/02/1065056202.db2.gz BZJPBSYETMIUIU-SANMLTNESA-N 1 0 471.715 4.971 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001360155771 1065057461 /nfs/dbraw/zinc/05/74/61/1065057461.db2.gz GWENWUUTIRFSFF-XUVXKRRUSA-N 1 0 453.622 4.553 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(C(C)(C)C)n3[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC001360156169 1065057839 /nfs/dbraw/zinc/05/78/39/1065057839.db2.gz SSLJGLLPKPCANQ-CTNGQTDRSA-N 1 0 484.655 4.864 20 0 JJADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC001360168841 1065063082 /nfs/dbraw/zinc/06/30/82/1065063082.db2.gz JTTUSQKYHVEDNE-UHFFFAOYSA-N 1 0 457.578 4.679 20 0 JJADRO COc1ccc(C)cc1-n1ccc(C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)n1 ZINC001360191237 1065075347 /nfs/dbraw/zinc/07/53/47/1065075347.db2.gz AYUSATNNHHCABN-UHFFFAOYSA-N 1 0 450.608 4.652 20 0 JJADRO C[NH+](C)CCc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 ZINC001435946822 1065076242 /nfs/dbraw/zinc/07/62/42/1065076242.db2.gz IEWFDHAGOQMGDX-UHFFFAOYSA-N 1 0 451.567 4.913 20 0 JJADRO O=C(NC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001435951832 1065078499 /nfs/dbraw/zinc/07/84/99/1065078499.db2.gz UDJWMIFXPOEHRD-NJYVYQBISA-N 1 0 459.537 4.821 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CCCC1(C)C ZINC001360203481 1065079605 /nfs/dbraw/zinc/07/96/05/1065079605.db2.gz GTMWGGFYMVHZEB-JTHBVZDNSA-N 1 0 472.722 4.724 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001545894474 1065081791 /nfs/dbraw/zinc/08/17/91/1065081791.db2.gz XIOCGDCHJUILEV-ISKFKSNPSA-N 1 0 468.690 4.680 20 0 JJADRO O=C(Oc1ccc(Br)c(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001360217369 1065085327 /nfs/dbraw/zinc/08/53/27/1065085327.db2.gz HOVZGWCBIXANBZ-VQTJNVASSA-N 1 0 455.327 4.804 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001545894605 1065085642 /nfs/dbraw/zinc/08/56/42/1065085642.db2.gz ZXJLTMAFJVUOJA-UHFFFAOYSA-N 1 0 480.701 4.857 20 0 JJADRO CCc1nc(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)nn1-c1c(Cl)cccc1Cl ZINC001435968875 1065086325 /nfs/dbraw/zinc/08/63/25/1065086325.db2.gz CJPIJJUOPDFPAO-UHFFFAOYSA-N 1 0 452.430 4.863 20 0 JJADRO CC(C)N1C(=O)C[C@@H](C(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001360284846 1065123570 /nfs/dbraw/zinc/12/35/70/1065123570.db2.gz NFMMPUIPGFUKFC-AUSIDOKSSA-N 1 0 452.014 4.550 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360304604 1065138088 /nfs/dbraw/zinc/13/80/88/1065138088.db2.gz CFOURINLLQVZSH-IAGOWNOFSA-N 1 0 494.453 4.629 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCS2)CC1 ZINC001360304772 1065138582 /nfs/dbraw/zinc/13/85/82/1065138582.db2.gz DNEXADYAJITTAP-UWJYYQICSA-N 1 0 464.079 4.934 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCC(F)(F)CC2)CC1 ZINC001360304818 1065138616 /nfs/dbraw/zinc/13/86/16/1065138616.db2.gz DYVMSZBZBUFTGO-UHFFFAOYSA-N 1 0 452.981 4.786 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001360305033 1065139431 /nfs/dbraw/zinc/13/94/31/1065139431.db2.gz HVRKUSLNYUECBD-UHFFFAOYSA-N 1 0 475.424 4.693 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001360305541 1065140699 /nfs/dbraw/zinc/14/06/99/1065140699.db2.gz UUAAYMGFLLTELL-NQIIRXRSSA-N 1 0 461.054 4.556 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(F)(F)Br)CC1 ZINC001360305526 1065140743 /nfs/dbraw/zinc/14/07/43/1065140743.db2.gz UCZWQMXQICIOEK-UHFFFAOYSA-N 1 0 494.331 4.501 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360307505 1065143066 /nfs/dbraw/zinc/14/30/66/1065143066.db2.gz XWGYCGCAMBAEQP-AUSIDOKSSA-N 1 0 457.638 4.892 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CCCC2)CC1 ZINC001360308653 1065144606 /nfs/dbraw/zinc/14/46/06/1065144606.db2.gz KJTKROGTDPQYBR-OAQYLSRUSA-N 1 0 474.694 4.550 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001360310074 1065147201 /nfs/dbraw/zinc/14/72/01/1065147201.db2.gz XXQJCSGCWBIDNR-UHFFFAOYSA-N 1 0 463.573 4.964 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3cccs3)n2C[C@H](c2cccs2)[NH+](C)C)CCOC1 ZINC001360319300 1065153613 /nfs/dbraw/zinc/15/36/13/1065153613.db2.gz GHRLWRFAHZBUEJ-KHCICDEESA-N 1 0 489.711 4.942 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001360319759 1065154905 /nfs/dbraw/zinc/15/49/05/1065154905.db2.gz MNVYEBIMZJUEKQ-JIPXPUAJSA-N 1 0 487.664 4.920 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001360320324 1065156328 /nfs/dbraw/zinc/15/63/28/1065156328.db2.gz WSIVCKCNNBEGSY-JIPXPUAJSA-N 1 0 487.664 4.920 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)c3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320663 1065157199 /nfs/dbraw/zinc/15/71/99/1065157199.db2.gz DFQBWLBOTBOURB-QDPGVEIFSA-N 1 0 483.701 4.681 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc4cccc(F)c4nc3C)c(OCC)c2)CC1 ZINC001436102826 1065181380 /nfs/dbraw/zinc/18/13/80/1065181380.db2.gz OEKVVJYAEWDYTK-UHFFFAOYSA-N 1 0 450.558 4.865 20 0 JJADRO CCCc1c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001436111085 1065186132 /nfs/dbraw/zinc/18/61/32/1065186132.db2.gz HPNNJPJFFSMDNS-JOCHJYFZSA-N 1 0 459.638 4.769 20 0 JJADRO O=C(c1ccc(OC(F)(F)F)cc1C(F)(F)F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001436120395 1065193815 /nfs/dbraw/zinc/19/38/15/1065193815.db2.gz UEBUNDBRMKXTCE-IYBDPMFKSA-N 1 0 458.402 4.808 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360352668 1065200474 /nfs/dbraw/zinc/20/04/74/1065200474.db2.gz VIYGFRSJPJLXRA-VTKNMLBTSA-N 1 0 497.675 4.557 20 0 JJADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC001360354752 1065203726 /nfs/dbraw/zinc/20/37/26/1065203726.db2.gz CIAZGEUEOWBJMB-UHFFFAOYSA-N 1 0 452.064 4.806 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CC=CCC2)c1 ZINC001360359758 1065212025 /nfs/dbraw/zinc/21/20/25/1065212025.db2.gz JQSMKIPIGLAFLE-UHFFFAOYSA-N 1 0 499.457 4.721 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001360359661 1065212067 /nfs/dbraw/zinc/21/20/67/1065212067.db2.gz HPLUQFAZKJGLJG-RUZDIDTESA-N 1 0 462.642 4.884 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001436173846 1065229106 /nfs/dbraw/zinc/22/91/06/1065229106.db2.gz ANLCQOSDSPJGAE-LJQANCHMSA-N 1 0 458.002 4.612 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC001436175699 1065230331 /nfs/dbraw/zinc/23/03/31/1065230331.db2.gz IWCIGCYLXKNTRL-UHFFFAOYSA-N 1 0 451.592 4.798 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)c1 ZINC001436177990 1065231444 /nfs/dbraw/zinc/23/14/44/1065231444.db2.gz YXYCVMFDSCNXNT-UHFFFAOYSA-N 1 0 451.517 4.686 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2cnc(Cc3ccccc3F)s2)c1 ZINC001436197066 1065244893 /nfs/dbraw/zinc/24/48/93/1065244893.db2.gz TVJXWJODONNCTD-UHFFFAOYSA-N 1 0 455.555 4.624 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001436200756 1065247333 /nfs/dbraw/zinc/24/73/33/1065247333.db2.gz FVDFHHYNWBXXHM-PWRODBHTSA-N 1 0 452.039 4.923 20 0 JJADRO CC(C)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001360385651 1065248731 /nfs/dbraw/zinc/24/87/31/1065248731.db2.gz HZEUKDFCTPEDJR-UHFFFAOYSA-N 1 0 474.074 4.840 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001436204908 1065249934 /nfs/dbraw/zinc/24/99/34/1065249934.db2.gz JCXHOFSFNOFYLR-UHFFFAOYSA-N 1 0 459.468 4.763 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001360387168 1065251777 /nfs/dbraw/zinc/25/17/77/1065251777.db2.gz BMYXPUOTZAXFPD-JOCHJYFZSA-N 1 0 453.652 4.881 20 0 JJADRO COc1ccc(-n2nc(C(=O)N(c3cccc(SC)c3)C3CC[NH+](C)CC3)cc2C)cc1 ZINC001360409072 1065272109 /nfs/dbraw/zinc/27/21/09/1065272109.db2.gz XFGIHUNYWFMVRE-UHFFFAOYSA-N 1 0 450.608 4.652 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001360409477 1065273083 /nfs/dbraw/zinc/27/30/83/1065273083.db2.gz IUQJJQKJBUNUME-XUZZJYLKSA-N 1 0 490.092 4.741 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001360409486 1065273381 /nfs/dbraw/zinc/27/33/81/1065273381.db2.gz JGEMPPCOHYIFBV-SFHVURJKSA-N 1 0 467.992 4.581 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001360409741 1065274136 /nfs/dbraw/zinc/27/41/36/1065274136.db2.gz RVYGYGGVFGHLSD-FPOVZHCZSA-N 1 0 490.490 4.691 20 0 JJADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC001436259121 1065278238 /nfs/dbraw/zinc/27/82/38/1065278238.db2.gz PNHGTKNPUPSSDC-NSHDSACASA-N 1 0 458.734 4.773 20 0 JJADRO CC(C)SCCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360417902 1065282733 /nfs/dbraw/zinc/28/27/33/1065282733.db2.gz IXVKPUGWXLXOKN-QHCPKHFHSA-N 1 0 450.656 4.583 20 0 JJADRO CC(C)SCCn1c(CCc2ccccc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360422951 1065290097 /nfs/dbraw/zinc/29/00/97/1065290097.db2.gz LSIVFOWOGUPFGH-ZRZAMGCNSA-N 1 0 485.742 4.531 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(Oc4cc(C)ccn4)cc3)CC2)cc1 ZINC001436318854 1065296188 /nfs/dbraw/zinc/29/61/88/1065296188.db2.gz WWJVNXHCYZYNFS-UHFFFAOYSA-N 1 0 458.562 4.535 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360427958 1065298657 /nfs/dbraw/zinc/29/86/57/1065298657.db2.gz ACQPUBJUTSPYCP-LJQANCHMSA-N 1 0 468.596 4.862 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(C2CCCC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001360428095 1065299162 /nfs/dbraw/zinc/29/91/62/1065299162.db2.gz CFALJVUDPUXDKR-RXVVDRJESA-N 1 0 461.601 4.648 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(C2CCCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001360428093 1065299323 /nfs/dbraw/zinc/29/93/23/1065299323.db2.gz CFALJVUDPUXDKR-GHTZIAJQSA-N 1 0 461.601 4.648 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCCCC1 ZINC001360428190 1065300332 /nfs/dbraw/zinc/30/03/32/1065300332.db2.gz FPWIZESDVCGVBN-MRXNPFEDSA-N 1 0 460.960 4.955 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCCOC2)n1CC1([NH+](C)C)CCCCC1 ZINC001360428891 1065302181 /nfs/dbraw/zinc/30/21/81/1065302181.db2.gz POCYSTHSEXNXSN-MOPGFXCFSA-N 1 0 461.601 4.912 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1CC1([NH+](C)C)CCCCC1 ZINC001360428894 1065302235 /nfs/dbraw/zinc/30/22/35/1065302235.db2.gz POCYSTHSEXNXSN-RTBURBONSA-N 1 0 461.601 4.912 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@@H]3c3ccc(Cl)cc3F)CC2)cc1 ZINC001436369860 1065304355 /nfs/dbraw/zinc/30/43/55/1065304355.db2.gz SIJNFGWIGDUJIP-FYYLOGMGSA-N 1 0 457.977 4.712 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@H]3c3ccc(Cl)cc3F)CC2)cc1 ZINC001436369868 1065304436 /nfs/dbraw/zinc/30/44/36/1065304436.db2.gz SIJNFGWIGDUJIP-JTHBVZDNSA-N 1 0 457.977 4.712 20 0 JJADRO Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)nc1 ZINC001360431604 1065307501 /nfs/dbraw/zinc/30/75/01/1065307501.db2.gz CPGIRPSODVKYPO-UHFFFAOYSA-N 1 0 459.550 4.650 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1CCCC1 ZINC001360432286 1065309362 /nfs/dbraw/zinc/30/93/62/1065309362.db2.gz JFQRTIXUKKCPQJ-KRWDZBQOSA-N 1 0 489.437 4.869 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1)C(C)C ZINC001360437099 1065317148 /nfs/dbraw/zinc/31/71/48/1065317148.db2.gz COQKSQXTZYTNKV-OAQYLSRUSA-N 1 0 497.638 4.620 20 0 JJADRO Cc1c(C(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)nnn1-c1ccc(C)cc1 ZINC001436432822 1065318116 /nfs/dbraw/zinc/31/81/16/1065318116.db2.gz TVTHMPYVISXFNU-AREMUKBSSA-N 1 0 459.638 4.689 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001436432383 1065318189 /nfs/dbraw/zinc/31/81/89/1065318189.db2.gz SCNTUVRAVXKLTR-ISKFKSNPSA-N 1 0 459.675 4.824 20 0 JJADRO CC(C)[NH+](CCCn1c(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C)C(C)C ZINC001360438733 1065320480 /nfs/dbraw/zinc/32/04/80/1065320480.db2.gz YPKWSYBWRHCMSD-HXUWFJFHSA-N 1 0 477.719 4.685 20 0 JJADRO CCOc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001436453388 1065322226 /nfs/dbraw/zinc/32/22/26/1065322226.db2.gz XVHQRTHRTZXVMN-VWLOTQADSA-N 1 0 459.590 4.796 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360440844 1065324901 /nfs/dbraw/zinc/32/49/01/1065324901.db2.gz YLNJGEXMGYBOPB-DMYXBQNASA-N 1 0 496.706 4.583 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360442966 1065328644 /nfs/dbraw/zinc/32/86/44/1065328644.db2.gz VZMATBUURKXSRP-VQLRFDHRSA-N 1 0 497.690 4.761 20 0 JJADRO CC(C)(C)n1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c(Br)n1 ZINC001436497252 1065335605 /nfs/dbraw/zinc/33/56/05/1065335605.db2.gz DDXFQQOFIFFSTB-YQQQUEKLSA-N 1 0 459.432 4.716 20 0 JJADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C2CCC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360447852 1065337390 /nfs/dbraw/zinc/33/73/90/1065337390.db2.gz FIYMQWAJUQPRDP-OFVILXPXSA-N 1 0 480.701 4.712 20 0 JJADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360448788 1065339890 /nfs/dbraw/zinc/33/98/90/1065339890.db2.gz XGCBRQDMVSNXAO-QFIPXVFZSA-N 1 0 482.717 4.645 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)[NH+](C)C ZINC001360450485 1065341742 /nfs/dbraw/zinc/34/17/42/1065341742.db2.gz NFZMYXXVZWZWCC-WTIAFYNJSA-N 1 0 482.673 4.888 20 0 JJADRO CO[C@@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1Br ZINC001436523695 1065342971 /nfs/dbraw/zinc/34/29/71/1065342971.db2.gz JVHFSJLFWBXQQE-JOCHJYFZSA-N 1 0 457.412 4.651 20 0 JJADRO C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360451779 1065343972 /nfs/dbraw/zinc/34/39/72/1065343972.db2.gz ACOGRRMDXBOBEG-FQEVSTJZSA-N 1 0 450.606 4.865 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc(-c2cnccn2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360452582 1065346634 /nfs/dbraw/zinc/34/66/34/1065346634.db2.gz OIOBMLHDGFYKKR-LJQANCHMSA-N 1 0 451.594 4.726 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCN(c2ccccc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001436531392 1065347247 /nfs/dbraw/zinc/34/72/47/1065347247.db2.gz MVXBNZYAGUEBML-VGSWGCGISA-N 1 0 451.508 4.870 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360454177 1065350544 /nfs/dbraw/zinc/35/05/44/1065350544.db2.gz FBVGMKLLQRKVPG-HXUWFJFHSA-N 1 0 450.606 4.722 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360454441 1065352005 /nfs/dbraw/zinc/35/20/05/1065352005.db2.gz JXYHGCOQJMOCJN-LJQANCHMSA-N 1 0 498.672 4.728 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)c1ccco1)[N@H+](C)C1CC1 ZINC001360456614 1065356472 /nfs/dbraw/zinc/35/64/72/1065356472.db2.gz RSGDJVYKYCGRBA-HZPDHXFCSA-N 1 0 458.404 4.981 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001360459018 1065359690 /nfs/dbraw/zinc/35/96/90/1065359690.db2.gz RVDCYUNTBMYUEE-UXHICEINSA-N 1 0 486.661 4.667 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001360459953 1065361889 /nfs/dbraw/zinc/36/18/89/1065361889.db2.gz NNPUUGRUJFNVEA-NZQKXSOJSA-N 1 0 451.611 4.836 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCCC1 ZINC001360460758 1065363873 /nfs/dbraw/zinc/36/38/73/1065363873.db2.gz GXIPFPDXEVQHBX-UXHICEINSA-N 1 0 472.634 4.626 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC[NH+]1CCCC1 ZINC001360461315 1065366583 /nfs/dbraw/zinc/36/65/83/1065366583.db2.gz SESZQPJCVKTIHL-GOSISDBHSA-N 1 0 487.073 4.606 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001360465583 1065374780 /nfs/dbraw/zinc/37/47/80/1065374780.db2.gz WTYWQEAOOFTMKM-OAHLLOKOSA-N 1 0 453.327 4.787 20 0 JJADRO C[C@H](c1ccsc1)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360466458 1065378119 /nfs/dbraw/zinc/37/81/19/1065378119.db2.gz DSNIXQALXKYMAM-JOCHJYFZSA-N 1 0 480.726 4.596 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360467669 1065382301 /nfs/dbraw/zinc/38/23/01/1065382301.db2.gz XHOYKOVOBMHVAE-HXOBKFHXSA-N 1 0 475.659 4.692 20 0 JJADRO C[C@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360468149 1065384048 /nfs/dbraw/zinc/38/40/48/1065384048.db2.gz YWCWFMFAUPWVLG-OAQYLSRUSA-N 1 0 472.747 4.933 20 0 JJADRO COCCCN(C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)C1CC[NH+](C)CC1 ZINC001436595368 1065389591 /nfs/dbraw/zinc/38/95/91/1065389591.db2.gz HTVCZJCXAXYONR-UHFFFAOYSA-N 1 0 456.530 4.887 20 0 JJADRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001436598331 1065390768 /nfs/dbraw/zinc/39/07/68/1065390768.db2.gz GQLRTXLSQQCFGB-HSZRJFAPSA-N 1 0 451.014 4.925 20 0 JJADRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC001436601457 1065394223 /nfs/dbraw/zinc/39/42/23/1065394223.db2.gz WWOSMMBMMKEZNH-DHIUTWEWSA-N 1 0 457.659 4.583 20 0 JJADRO COCCOC1CCC(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001436619442 1065399667 /nfs/dbraw/zinc/39/96/67/1065399667.db2.gz SAGQQHOXMCPWDH-RCSZBHJWSA-N 1 0 456.671 4.892 20 0 JJADRO CCOC(=O)c1cc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]c1C ZINC001436619474 1065399848 /nfs/dbraw/zinc/39/98/48/1065399848.db2.gz SXBRYMWYQVZPGB-RUZDIDTESA-N 1 0 451.611 4.797 20 0 JJADRO Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1Br ZINC001436620319 1065400736 /nfs/dbraw/zinc/40/07/36/1065400736.db2.gz XCXGUWQPUBVPFB-HXUWFJFHSA-N 1 0 455.318 4.828 20 0 JJADRO O=C(COCCOc1ccccc1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436619831 1065400800 /nfs/dbraw/zinc/40/08/00/1065400800.db2.gz XLNDKIBFOPDRTI-MHZLTWQESA-N 1 0 450.623 4.765 20 0 JJADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@H+](C)C1CCCCC1 ZINC001360487435 1065406458 /nfs/dbraw/zinc/40/64/58/1065406458.db2.gz XZESTIATZGCNCW-SFHVURJKSA-N 1 0 498.672 4.777 20 0 JJADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1cccc(I)c1C ZINC001436636876 1065410337 /nfs/dbraw/zinc/41/03/37/1065410337.db2.gz KVMQXRKHBXYJMX-MRXNPFEDSA-N 1 0 450.364 4.813 20 0 JJADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CCCc2csc3ccccc23)CC1 ZINC001360497616 1065415728 /nfs/dbraw/zinc/41/57/28/1065415728.db2.gz BFYXRCKELCDPRN-UHFFFAOYSA-N 1 0 451.636 4.513 20 0 JJADRO C[C@@H]1[C@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C ZINC001436646995 1065415777 /nfs/dbraw/zinc/41/57/77/1065415777.db2.gz IXSDLTUHGTYNQD-WIYYLYMNSA-N 1 0 450.023 4.804 20 0 JJADRO CN(C(=O)c1c2c(sc1-n1cccc1)CSCC2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001436705000 1065425030 /nfs/dbraw/zinc/42/50/30/1065425030.db2.gz QWOFVKMTLWCIKI-UHFFFAOYSA-N 1 0 457.587 4.817 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360502864 1065429042 /nfs/dbraw/zinc/42/90/42/1065429042.db2.gz FCIGWZZGJZYKOM-UCFCWBNQSA-N 1 0 467.614 4.579 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360503426 1065431509 /nfs/dbraw/zinc/43/15/09/1065431509.db2.gz LCUFBCVWUZTQRH-HYBUGGRVSA-N 1 0 464.658 4.567 20 0 JJADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001360503784 1065434187 /nfs/dbraw/zinc/43/41/87/1065434187.db2.gz NOOZOYKBJYDZQJ-QFIPXVFZSA-N 1 0 476.669 4.692 20 0 JJADRO C[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001360504621 1065435905 /nfs/dbraw/zinc/43/59/05/1065435905.db2.gz ABPSVSHFDBWMAL-HNNXBMFYSA-N 1 0 499.379 4.945 20 0 JJADRO C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1cccs1)[N@H+](C)Cc1ccccc1 ZINC001360504787 1065436687 /nfs/dbraw/zinc/43/66/87/1065436687.db2.gz BXIBPDMGMRJRTK-SFTDATJTSA-N 1 0 480.682 4.684 20 0 JJADRO C[C@H](CCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1)[NH+]1CCCCC1 ZINC001360505283 1065439895 /nfs/dbraw/zinc/43/98/95/1065439895.db2.gz LFQZADDMZRKLOT-FCHUYYIVSA-N 1 0 462.642 4.768 20 0 JJADRO C[C@H](CCn1c(-c2ccccc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360505701 1065442344 /nfs/dbraw/zinc/44/23/44/1065442344.db2.gz SPFVJUCZCJMALQ-PKTZIBPZSA-N 1 0 496.700 4.903 20 0 JJADRO C[C@@H](CCn1c(-c2cccn2C)nnc1N1CCC=C(Br)C1)[N@H+](C)Cc1ccccc1 ZINC001360505969 1065443005 /nfs/dbraw/zinc/44/30/05/1065443005.db2.gz YLYLAGGLVWXQQP-IBGZPJMESA-N 1 0 483.458 4.683 20 0 JJADRO C[C@@H](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360508585 1065447280 /nfs/dbraw/zinc/44/72/80/1065447280.db2.gz FORDHJPDCGTFMV-JTHBVZDNSA-N 1 0 464.658 4.968 20 0 JJADRO C[C@@H](CCn1c(C2CCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360508630 1065448079 /nfs/dbraw/zinc/44/80/79/1065448079.db2.gz GJVWZTMMSPKZJW-RBBKRZOGSA-N 1 0 474.694 4.646 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)o1)[NH+]1CCCCC1 ZINC001360508826 1065448120 /nfs/dbraw/zinc/44/81/20/1065448120.db2.gz JIODWRKTIPZLNI-HKUYNNGSSA-N 1 0 480.451 4.776 20 0 JJADRO C[C@H](CCn1c(C2CCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360508733 1065448144 /nfs/dbraw/zinc/44/81/44/1065448144.db2.gz IBDYDWZKISTAIL-ZJSXRUAMSA-N 1 0 496.700 4.902 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1N1CCOCC1)[NH+]1CCCCC1 ZINC001360509330 1065449693 /nfs/dbraw/zinc/44/96/93/1065449693.db2.gz QMRMSTIKZFYBOP-HSZRJFAPSA-N 1 0 482.717 4.604 20 0 JJADRO C[C@H](CCn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509672 1065450590 /nfs/dbraw/zinc/45/05/90/1065450590.db2.gz WNJSITUJEVJWFM-OFNKIYASSA-N 1 0 482.673 4.560 20 0 JJADRO C[C@@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360510047 1065451623 /nfs/dbraw/zinc/45/16/23/1065451623.db2.gz CMSSJECLUSTISJ-PXNSSMCTSA-N 1 0 485.982 4.554 20 0 JJADRO C[C@@H](CCn1c(N2CCC(OC[C@@H]3CCOC3)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360510225 1065452563 /nfs/dbraw/zinc/45/25/63/1065452563.db2.gz GQPPPDUZVFJGDQ-LADGPHEKSA-N 1 0 483.701 4.508 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360510213 1065452629 /nfs/dbraw/zinc/45/26/29/1065452629.db2.gz GGQCXBHMTYJXCU-NHCUHLMSSA-N 1 0 476.710 4.625 20 0 JJADRO C[C@H](CCn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001360510611 1065454653 /nfs/dbraw/zinc/45/46/53/1065454653.db2.gz OIPHSBFZEJSYFA-OAQYLSRUSA-N 1 0 492.634 4.606 20 0 JJADRO C[C@@H](CCn1c(Cc2ccsc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360510732 1065454779 /nfs/dbraw/zinc/45/47/79/1065454779.db2.gz OXCJNPDOEAGJCM-FDDCHVKYSA-N 1 0 499.647 4.725 20 0 JJADRO C[C@@H](CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC[C@@H]1C)[NH+]1CCCCC1 ZINC001360510599 1065454863 /nfs/dbraw/zinc/45/48/63/1065454863.db2.gz OFEJCWKVCXQAHU-OALUTQOASA-N 1 0 464.079 4.713 20 0 JJADRO C[C@@H](CCn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360511213 1065456459 /nfs/dbraw/zinc/45/64/59/1065456459.db2.gz VJOMDKYKMRVCIY-SFHVURJKSA-N 1 0 479.591 4.834 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCC(OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360514218 1065465309 /nfs/dbraw/zinc/46/53/09/1065465309.db2.gz PMSHXHLHVBMBQK-ZJSXRUAMSA-N 1 0 469.674 4.824 20 0 JJADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001360516211 1065476453 /nfs/dbraw/zinc/47/64/53/1065476453.db2.gz OWCNODDSSJHGIL-FCHUYYIVSA-N 1 0 490.737 4.682 20 0 JJADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001360516214 1065476569 /nfs/dbraw/zinc/47/65/69/1065476569.db2.gz OWCNODDSSJHGIL-YADHBBJMSA-N 1 0 490.737 4.682 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)o2)n1CC[N@H+](C)C1CCCCC1 ZINC001545903607 1065485309 /nfs/dbraw/zinc/48/53/09/1065485309.db2.gz DSCFSQZBTWROOQ-JOCHJYFZSA-N 1 0 470.662 4.704 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545903623 1065485454 /nfs/dbraw/zinc/48/54/54/1065485454.db2.gz DZBSOWRNLNZDDM-RZUBCFFCSA-N 1 0 486.730 4.968 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001360519830 1065489023 /nfs/dbraw/zinc/48/90/23/1065489023.db2.gz UOIMSZWRRBGCIT-MRXNPFEDSA-N 1 0 477.476 4.744 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545903683 1065489171 /nfs/dbraw/zinc/48/91/71/1065489171.db2.gz GHOHKMSCWGZUDZ-RDGATRHJSA-N 1 0 480.701 4.967 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2C)n1CC[NH+]1CCC(C)CC1 ZINC001545903686 1065489285 /nfs/dbraw/zinc/48/92/85/1065489285.db2.gz GIDNKMVKMNVCTO-XMMPIXPASA-N 1 0 466.674 4.578 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(OC)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545904060 1065496267 /nfs/dbraw/zinc/49/62/67/1065496267.db2.gz NMTKCYMVXWJHDR-OFVILXPXSA-N 1 0 496.700 4.667 20 0 JJADRO CC(C)N(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001437026678 1065497839 /nfs/dbraw/zinc/49/78/39/1065497839.db2.gz FUOCBCBCPQWCIU-GOSISDBHSA-N 1 0 458.393 4.699 20 0 JJADRO CSc1ncc(C(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1-c1ccc(F)cc1 ZINC001437035218 1065498576 /nfs/dbraw/zinc/49/85/76/1065498576.db2.gz YAZSNARHPSFLGN-JOCHJYFZSA-N 1 0 452.599 4.858 20 0 JJADRO C[C@H](CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1cccs1)[NH+](C)C)c1nccs1 ZINC001360525315 1065501543 /nfs/dbraw/zinc/50/15/43/1065501543.db2.gz SFHOQYBHZAGHCW-KURKYZTESA-N 1 0 460.673 4.581 20 0 JJADRO C[C@H](CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001360525376 1065502281 /nfs/dbraw/zinc/50/22/81/1065502281.db2.gz TWPHVSMMDJKPEW-BAGYTPMASA-N 1 0 453.656 4.776 20 0 JJADRO C[C@@H](CN(C)c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCCC(C)(C)C1)c1nccs1 ZINC001360526162 1065503811 /nfs/dbraw/zinc/50/38/11/1065503811.db2.gz GXAXICORUBBSJX-NRFANRHFSA-N 1 0 466.699 4.882 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2OC)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545904457 1065503911 /nfs/dbraw/zinc/50/39/11/1065503911.db2.gz VUNJOUWUXQAZSD-QPPBQGQZSA-N 1 0 496.700 4.667 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2OC)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545904460 1065504093 /nfs/dbraw/zinc/50/40/93/1065504093.db2.gz VUNJOUWUXQAZSD-ZJSXRUAMSA-N 1 0 496.700 4.667 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC1CC1)[N@H+](C)Cc1ccccc1 ZINC001360535074 1065516159 /nfs/dbraw/zinc/51/61/59/1065516159.db2.gz KUIQCOQSQSYMIJ-GOSISDBHSA-N 1 0 485.474 4.803 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC1CC1)[N@H+](C)Cc1ccccc1 ZINC001360535075 1065516260 /nfs/dbraw/zinc/51/62/60/1065516260.db2.gz KUIQCOQSQSYMIJ-SFHVURJKSA-N 1 0 485.474 4.803 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001360535164 1065516649 /nfs/dbraw/zinc/51/66/49/1065516649.db2.gz ALURKRVGGLWZSJ-RBUKOAKNSA-N 1 0 491.080 4.632 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001360535162 1065516706 /nfs/dbraw/zinc/51/67/06/1065516706.db2.gz ALURKRVGGLWZSJ-OALUTQOASA-N 1 0 491.080 4.632 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(CCC(F)(F)F)CC1CC1)[NH+](C)C ZINC001360535429 1065517531 /nfs/dbraw/zinc/51/75/31/1065517531.db2.gz CSRBMVRFFAXMCA-ZDUSSCGKSA-N 1 0 492.359 4.966 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCc1cccs1)[NH+](C)C ZINC001360535748 1065517791 /nfs/dbraw/zinc/51/77/91/1065517791.db2.gz GXSGZPNOERRUJE-AWEZNQCLSA-N 1 0 466.424 4.537 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360536049 1065517854 /nfs/dbraw/zinc/51/78/54/1065517854.db2.gz KIHXOMYHEONWRS-UWJYYQICSA-N 1 0 489.064 4.527 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360536048 1065518012 /nfs/dbraw/zinc/51/80/12/1065518012.db2.gz KIHXOMYHEONWRS-UTKZUKDTSA-N 1 0 489.064 4.527 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCc1cccs1)[NH+](C)C ZINC001360535750 1065518095 /nfs/dbraw/zinc/51/80/95/1065518095.db2.gz GXSGZPNOERRUJE-CQSZACIVSA-N 1 0 466.424 4.537 20 0 JJADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)cc1 ZINC001437229468 1065523175 /nfs/dbraw/zinc/52/31/75/1065523175.db2.gz XCKWFIQCERSEOE-FYWRMAATSA-N 1 0 452.576 4.747 20 0 JJADRO O=C(NCC1(c2cccc(Br)c2)CCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001545905351 1065523876 /nfs/dbraw/zinc/52/38/76/1065523876.db2.gz ZATQLKPPDSKDPQ-FQEVSTJZSA-N 1 0 451.474 4.595 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](OCc2ccccc2)C1)[NH+](C)C ZINC001360541259 1065527628 /nfs/dbraw/zinc/52/76/28/1065527628.db2.gz NPDHRNANTIOPII-AEFFLSMTSA-N 1 0 490.471 4.515 20 0 JJADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001437278210 1065528950 /nfs/dbraw/zinc/52/89/50/1065528950.db2.gz OXTCZSYWZQOFIJ-BTYIYWSLSA-N 1 0 451.792 4.651 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1)[NH+](C)C ZINC001360541828 1065529723 /nfs/dbraw/zinc/52/97/23/1065529723.db2.gz UNEZUCFUJHSYBH-IBGZPJMESA-N 1 0 482.076 4.568 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001360541879 1065529806 /nfs/dbraw/zinc/52/98/06/1065529806.db2.gz UVQMAOPBYGAEDU-MRXNPFEDSA-N 1 0 495.043 4.523 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(CCC(F)(F)F)CC1CC1)[NH+](C)C ZINC001360542200 1065530771 /nfs/dbraw/zinc/53/07/71/1065530771.db2.gz RTTLQLDDWMEVJJ-ZDUSSCGKSA-N 1 0 492.359 4.966 20 0 JJADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(CCC(F)(F)F)CC1CC1)[NH+](C)C ZINC001360542198 1065530880 /nfs/dbraw/zinc/53/08/80/1065530880.db2.gz RTTLQLDDWMEVJJ-CYBMUJFWSA-N 1 0 492.359 4.966 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCc3sccc3C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001545906071 1065532738 /nfs/dbraw/zinc/53/27/38/1065532738.db2.gz PTLDXCKWEUZGLZ-HXUWFJFHSA-N 1 0 486.730 4.579 20 0 JJADRO C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+](C)C ZINC001360553134 1065544083 /nfs/dbraw/zinc/54/40/83/1065544083.db2.gz IMLGJZCEQWQXDX-INIZCTEOSA-N 1 0 462.520 4.719 20 0 JJADRO CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001437376461 1065544551 /nfs/dbraw/zinc/54/45/51/1065544551.db2.gz KOKNVNRXCZJOTQ-CLJLJLNGSA-N 1 0 450.623 4.645 20 0 JJADRO C[C@@H](Cn1c(C2CC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360555984 1065546442 /nfs/dbraw/zinc/54/64/42/1065546442.db2.gz ZXRSRFQLOGPEDR-REWPJTCUSA-N 1 0 482.673 4.512 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360559875 1065549566 /nfs/dbraw/zinc/54/95/66/1065549566.db2.gz ODPUIVCYJWDWIB-UPVQGACJSA-N 1 0 494.728 4.835 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360559874 1065549789 /nfs/dbraw/zinc/54/97/89/1065549789.db2.gz ODPUIVCYJWDWIB-LADGPHEKSA-N 1 0 494.728 4.835 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360559809 1065549824 /nfs/dbraw/zinc/54/98/24/1065549824.db2.gz NMBCIYRPLBFHCJ-FQEVSTJZSA-N 1 0 474.694 4.646 20 0 JJADRO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1ccccc1)[NH+](C)C ZINC001360562757 1065552476 /nfs/dbraw/zinc/55/24/76/1065552476.db2.gz FRTKUBFIXRMZHA-PMACEKPBSA-N 1 0 470.662 4.540 20 0 JJADRO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC001360562907 1065553085 /nfs/dbraw/zinc/55/30/85/1065553085.db2.gz GFOBLEUNEQEZMW-VXKWHMMOSA-N 1 0 496.700 4.902 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC001360569000 1065561486 /nfs/dbraw/zinc/56/14/86/1065561486.db2.gz ICTHQNNWSZCKEI-UXHICEINSA-N 1 0 452.672 4.838 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001545907290 1065562391 /nfs/dbraw/zinc/56/23/91/1065562391.db2.gz FLCRNZGPWJPIPW-NHCUHLMSSA-N 1 0 468.690 4.952 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001545907392 1065565512 /nfs/dbraw/zinc/56/55/12/1065565512.db2.gz HSVGUSKVHHLWJB-BJKOFHAPSA-N 1 0 498.741 4.583 20 0 JJADRO CC[C@@]1(C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001437551841 1065572536 /nfs/dbraw/zinc/57/25/36/1065572536.db2.gz HPVMNCXLMRLGTO-XMMPIXPASA-N 1 0 458.628 4.866 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545907739 1065578428 /nfs/dbraw/zinc/57/84/28/1065578428.db2.gz QLQHVRICVHWCRY-FDFHNCONSA-N 1 0 460.711 4.581 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N3C[C@H]([NH+](C)C)CCc4ccccc43)s2)cc1OC ZINC001437576213 1065579726 /nfs/dbraw/zinc/57/97/26/1065579726.db2.gz AGXNRYMVEIECKO-LJQANCHMSA-N 1 0 451.592 4.659 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)CC1)[N@H+](C)C1CC1 ZINC001360583540 1065581282 /nfs/dbraw/zinc/58/12/82/1065581282.db2.gz FZIUZJKKQYXXFL-SFHVURJKSA-N 1 0 461.601 4.873 20 0 JJADRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2cc(Br)sc2Br)C1 ZINC001437585505 1065581811 /nfs/dbraw/zinc/58/18/11/1065581811.db2.gz VTRCEIAMAPRWSJ-LBPRGKRZSA-N 1 0 458.219 4.796 20 0 JJADRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC001437584679 1065581835 /nfs/dbraw/zinc/58/18/35/1065581835.db2.gz SKDIPWLOZJFDBD-QGZVFWFLSA-N 1 0 458.425 4.901 20 0 JJADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1nccs1 ZINC001360584333 1065584214 /nfs/dbraw/zinc/58/42/14/1065584214.db2.gz VPAKXOGQUOOXFA-GOSISDBHSA-N 1 0 472.634 4.567 20 0 JJADRO Cc1cc(Br)ccc1CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001360585925 1065585496 /nfs/dbraw/zinc/58/54/96/1065585496.db2.gz YIJJANOUXIHFKO-FQEVSTJZSA-N 1 0 455.318 4.828 20 0 JJADRO C[C@H](Cn1c(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360587532 1065589296 /nfs/dbraw/zinc/58/92/96/1065589296.db2.gz RBZXYUZGXMOBFV-HUUCEWRRSA-N 1 0 470.609 4.918 20 0 JJADRO C[C@H](Cn1c(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360588357 1065592223 /nfs/dbraw/zinc/59/22/23/1065592223.db2.gz ZRIOZQPJXGOBPG-RTWAWAEBSA-N 1 0 484.689 4.542 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001360590706 1065596310 /nfs/dbraw/zinc/59/63/10/1065596310.db2.gz OHSDOJHHJUJFQZ-MDNUFGMLSA-N 1 0 471.715 4.908 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360591246 1065598480 /nfs/dbraw/zinc/59/84/80/1065598480.db2.gz ZNDBFFPUOCINLQ-ZJOUEHCJSA-N 1 0 474.694 4.705 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1F)C[NH+]1CCCC1 ZINC001360591599 1065598876 /nfs/dbraw/zinc/59/88/76/1065598876.db2.gz GOIMNUGXSSLVHQ-QGZVFWFLSA-N 1 0 489.437 4.554 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001360591488 1065598981 /nfs/dbraw/zinc/59/89/81/1065598981.db2.gz DMIFKIZXWNLWTH-QUCCMNQESA-N 1 0 460.464 4.922 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC=C(Br)C1)C[NH+]1CCCC1 ZINC001360591759 1065599023 /nfs/dbraw/zinc/59/90/23/1065599023.db2.gz IXJDZXUBPORBCE-MRXNPFEDSA-N 1 0 496.400 4.767 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCSC(C)(C)C1)C[NH+]1CCCC1 ZINC001360591597 1065599073 /nfs/dbraw/zinc/59/90/73/1065599073.db2.gz GMWFTHMMWAVDKE-MRXNPFEDSA-N 1 0 496.494 4.910 20 0 JJADRO C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C)C1)C[NH+]1CCCC1 ZINC001360591912 1065599715 /nfs/dbraw/zinc/59/97/15/1065599715.db2.gz MGJWXOSXUVJNDY-CEXWTWQISA-N 1 0 464.079 4.745 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccco1)C[NH+]1CCCC1 ZINC001360592694 1065601657 /nfs/dbraw/zinc/60/16/57/1065601657.db2.gz ZWZXRBXZRXRWRY-HNNXBMFYSA-N 1 0 464.433 4.730 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@H](C)[C@H]1C)C[NH+]1CCCC1 ZINC001360592686 1065601787 /nfs/dbraw/zinc/60/17/87/1065601787.db2.gz ZUTFCLCNBVBZNO-KZNAEPCWSA-N 1 0 478.504 4.770 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccco1)C[NH+]1CCCC1 ZINC001360592695 1065601851 /nfs/dbraw/zinc/60/18/51/1065601851.db2.gz ZWZXRBXZRXRWRY-OAHLLOKOSA-N 1 0 464.433 4.730 20 0 JJADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)(F)C1)C[NH+]1CCCC1 ZINC001360592987 1065602622 /nfs/dbraw/zinc/60/26/22/1065602622.db2.gz BISORDQEZIONCS-QGZVFWFLSA-N 1 0 451.993 4.736 20 0 JJADRO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360592923 1065602628 /nfs/dbraw/zinc/60/26/28/1065602628.db2.gz AYQRFTYRNLMHHH-PMACEKPBSA-N 1 0 475.628 4.663 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)C[NH+]1CCCC1 ZINC001360593807 1065603364 /nfs/dbraw/zinc/60/33/64/1065603364.db2.gz KDJHYBHWIRFSMJ-QRVBRYPASA-N 1 0 482.019 4.970 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC001360593381 1065603370 /nfs/dbraw/zinc/60/33/70/1065603370.db2.gz GLZXHQGZJGDUJZ-NQIIRXRSSA-N 1 0 465.564 4.907 20 0 JJADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593437 1065603395 /nfs/dbraw/zinc/60/33/95/1065603395.db2.gz GYPNVVOSWIQVGN-REWPJTCUSA-N 1 0 473.637 4.512 20 0 JJADRO C[C@H](Cn1c(CC2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001360594057 1065604175 /nfs/dbraw/zinc/60/41/75/1065604175.db2.gz NQRUARUWQQCJNE-NRFANRHFSA-N 1 0 488.721 4.578 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccc(CSC)cc1 ZINC001545909369 1065604682 /nfs/dbraw/zinc/60/46/82/1065604682.db2.gz DMOXUZMZHLAONM-UHFFFAOYSA-N 1 0 498.741 4.563 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594157 1065604826 /nfs/dbraw/zinc/60/48/26/1065604826.db2.gz LUGJMYPFBFTVGR-UQBPGWFLSA-N 1 0 460.066 4.972 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594155 1065604853 /nfs/dbraw/zinc/60/48/53/1065604853.db2.gz LUGJMYPFBFTVGR-KBMIEXCESA-N 1 0 460.066 4.972 20 0 JJADRO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1)C[NH+]1CCCC1 ZINC001360594718 1065605490 /nfs/dbraw/zinc/60/54/90/1065605490.db2.gz UCCONJJKRLNIAH-HKUYNNGSSA-N 1 0 466.120 4.897 20 0 JJADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC001360595191 1065606600 /nfs/dbraw/zinc/60/66/00/1065606600.db2.gz YROPLKIHWDIHGO-LJQANCHMSA-N 1 0 472.559 4.651 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360596671 1065609771 /nfs/dbraw/zinc/60/97/71/1065609771.db2.gz DZGLWVAFEAUYLV-UWHLTILDSA-N 1 0 476.065 4.807 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC001360596646 1065609809 /nfs/dbraw/zinc/60/98/09/1065609809.db2.gz DQNVAIASKUMACK-ROUUACIJSA-N 1 0 466.457 4.847 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360596669 1065609859 /nfs/dbraw/zinc/60/98/59/1065609859.db2.gz DZGLWVAFEAUYLV-CGXNFDGLSA-N 1 0 476.065 4.807 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(C)(C)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360596763 1065610521 /nfs/dbraw/zinc/61/05/21/1065610521.db2.gz GTLPWUFCJVBNNL-SFHVURJKSA-N 1 0 461.054 4.509 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1cnccn1)C[NH+]1CCCCC1 ZINC001360596682 1065610676 /nfs/dbraw/zinc/61/06/76/1065610676.db2.gz FDEOPKNXLRWGLW-JOCHJYFZSA-N 1 0 475.685 4.834 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360597359 1065612933 /nfs/dbraw/zinc/61/29/33/1065612933.db2.gz NQJFWFSSYAKVNA-GUDVDZBRSA-N 1 0 477.495 4.650 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1F)C[NH+]1CCCCC1 ZINC001360597526 1065614675 /nfs/dbraw/zinc/61/46/75/1065614675.db2.gz OTGSHBYCPBNAEW-KRWDZBQOSA-N 1 0 489.437 4.933 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360597596 1065615189 /nfs/dbraw/zinc/61/51/89/1065615189.db2.gz PXNJTAJAMBMJFV-LASHMREHSA-N 1 0 471.612 4.563 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cccs1)C[NH+]1CCCCC1 ZINC001360597735 1065615392 /nfs/dbraw/zinc/61/53/92/1065615392.db2.gz QPWOKGGVBRNXGV-KRWDZBQOSA-N 1 0 491.503 4.898 20 0 JJADRO CC(C)c1ncc(CN(C)c2nnc(-c3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC001360597593 1065615400 /nfs/dbraw/zinc/61/54/00/1065615400.db2.gz PXACCTAMKMJLNO-HXUWFJFHSA-N 1 0 465.621 4.756 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597961 1065616080 /nfs/dbraw/zinc/61/60/80/1065616080.db2.gz UAVUFKWSPWKENQ-FQRUVTKNSA-N 1 0 457.638 4.848 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccco1)C[NH+]1CCCCC1 ZINC001360597947 1065616090 /nfs/dbraw/zinc/61/60/90/1065616090.db2.gz TWIFTDQSNGNZBL-PMACEKPBSA-N 1 0 455.578 4.909 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)c1nccs1)C[NH+]1CCCC1 ZINC001360598327 1065617697 /nfs/dbraw/zinc/61/76/97/1065617697.db2.gz XCURKJRGUFDZJJ-PLACYPQZSA-N 1 0 474.719 4.625 20 0 JJADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C)C[NH+]1CCCCC1 ZINC001360598738 1065619056 /nfs/dbraw/zinc/61/90/56/1065619056.db2.gz DVGXKSCJHJEQOW-FQEVSTJZSA-N 1 0 462.082 4.896 20 0 JJADRO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cc(Cl)ccn1)C[NH+]1CCCCC1 ZINC001360598884 1065619933 /nfs/dbraw/zinc/61/99/33/1065619933.db2.gz HBYUZTAABHUHNS-GOSISDBHSA-N 1 0 489.014 4.954 20 0 JJADRO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC001360599978 1065622542 /nfs/dbraw/zinc/62/25/42/1065622542.db2.gz ZQIBZTVEWZLBCM-FQEVSTJZSA-N 1 0 499.501 4.847 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360601839 1065624667 /nfs/dbraw/zinc/62/46/67/1065624667.db2.gz HTJKZHUZHNPMJD-UXHICEINSA-N 1 0 476.065 4.636 20 0 JJADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360602394 1065626267 /nfs/dbraw/zinc/62/62/67/1065626267.db2.gz OJUPQEKKHNGTDA-QRVBRYPASA-N 1 0 451.631 4.780 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H](C)c1cccs1)C[NH+]1CCOCC1 ZINC001360602880 1065626966 /nfs/dbraw/zinc/62/69/66/1065626966.db2.gz DMHDZKIZBHPQBQ-MSOLQXFVSA-N 1 0 491.608 4.774 20 0 JJADRO C[C@@H](Cn1c(N2CCO[C@H](c3ccc(F)cc3F)C2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603270 1065628108 /nfs/dbraw/zinc/62/81/08/1065628108.db2.gz SZJINLYQCJKMMF-GCJKJVERSA-N 1 0 461.601 4.554 20 0 JJADRO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)S[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360604151 1065629624 /nfs/dbraw/zinc/62/96/24/1065629624.db2.gz ZFESZUDYZNZMQV-RJGXRXQPSA-N 1 0 455.716 4.906 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCC(C)(C)C1)C[NH+]1CCOCC1 ZINC001360604611 1065630747 /nfs/dbraw/zinc/63/07/47/1065630747.db2.gz UXZAKRBLQPNSPZ-QGZVFWFLSA-N 1 0 466.457 4.847 20 0 JJADRO CCn1cc(CC(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)c2ccccc21 ZINC001438030050 1065655043 /nfs/dbraw/zinc/65/50/43/1065655043.db2.gz BKCONURJOVIGAW-FQEVSTJZSA-N 1 0 454.412 4.876 20 0 JJADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)cc21 ZINC001360619926 1065666365 /nfs/dbraw/zinc/66/63/65/1065666365.db2.gz GTAWFCBKMUVYLW-UHFFFAOYSA-N 1 0 458.900 4.627 20 0 JJADRO CC(F)(F)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001360626866 1065673104 /nfs/dbraw/zinc/67/31/04/1065673104.db2.gz XEMIRBPEQMDXQM-OAHLLOKOSA-N 1 0 472.353 4.567 20 0 JJADRO CC(C)(C)OC(=O)c1ccccc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001438121128 1065674056 /nfs/dbraw/zinc/67/40/56/1065674056.db2.gz QKEPHGTWETZQTD-DHIUTWEWSA-N 1 0 477.630 4.630 20 0 JJADRO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC001360631232 1065680725 /nfs/dbraw/zinc/68/07/25/1065680725.db2.gz LXUDEJRXPOTVSB-QFQXNSOFSA-N 1 0 456.590 4.874 20 0 JJADRO C[C@@H](N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001360631774 1065681304 /nfs/dbraw/zinc/68/13/04/1065681304.db2.gz AEXQQFQEOIYSHI-GOSISDBHSA-N 1 0 484.998 4.547 20 0 JJADRO C[C@@H](N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001360632364 1065684956 /nfs/dbraw/zinc/68/49/56/1065684956.db2.gz OBWMCEHAYKFOKU-GOSISDBHSA-N 1 0 499.025 4.936 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001360636959 1065696695 /nfs/dbraw/zinc/69/66/95/1065696695.db2.gz OJJZMLYXYPKTAP-VWNXMTODSA-N 1 0 496.700 4.951 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001360637003 1065697360 /nfs/dbraw/zinc/69/73/60/1065697360.db2.gz PGTZRAYOFGDAKU-CMKODMSKSA-N 1 0 491.080 4.678 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)Cc1ccccc1OCc1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC001438249356 1065702176 /nfs/dbraw/zinc/70/21/76/1065702176.db2.gz GRYKOHZLISUDFE-QFIPXVFZSA-N 1 0 458.389 4.929 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001360638362 1065702596 /nfs/dbraw/zinc/70/25/96/1065702596.db2.gz CQKMCDASJRMAFK-ICSRJNTNSA-N 1 0 488.677 4.601 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NC(=O)CC(C)(C)c3ccc(F)cc3)c2)CC1 ZINC001438257508 1065703631 /nfs/dbraw/zinc/70/36/31/1065703631.db2.gz IZKHHOIZHXBHRC-UHFFFAOYSA-N 1 0 456.562 4.584 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)CSCc2cccs2)cc1 ZINC001438332010 1065710556 /nfs/dbraw/zinc/71/05/56/1065710556.db2.gz LBIMCFJNAYGEOC-BJKOFHAPSA-N 1 0 452.645 4.774 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001438330527 1065710761 /nfs/dbraw/zinc/71/07/61/1065710761.db2.gz PTFDBGPBBXFSKT-LPHOPBHVSA-N 1 0 454.368 4.602 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)C(C)C ZINC001360641186 1065712673 /nfs/dbraw/zinc/71/26/73/1065712673.db2.gz DNQDYKJKUUHSNS-FQEVSTJZSA-N 1 0 476.710 4.794 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC001438342618 1065712783 /nfs/dbraw/zinc/71/27/83/1065712783.db2.gz UVIZPYLFZRLDPL-JYFHCDHNSA-N 1 0 477.992 4.705 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)C(C)(C)c2ccc(OC)cc2)cc1 ZINC001438342779 1065712936 /nfs/dbraw/zinc/71/29/36/1065712936.db2.gz VJRVPINAGDSCSV-RRPNLBNLSA-N 1 0 458.602 4.766 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360641639 1065714053 /nfs/dbraw/zinc/71/40/53/1065714053.db2.gz LDEZNNVMLDWBQD-IRLDBZIGSA-N 1 0 496.700 4.784 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCC3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001360642764 1065716741 /nfs/dbraw/zinc/71/67/41/1065716741.db2.gz WIHPJHUJFOTSPQ-LEWJYISDSA-N 1 0 488.721 4.940 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(F)(F)F)c1ccccc1 ZINC001360644559 1065718762 /nfs/dbraw/zinc/71/87/62/1065718762.db2.gz ATXMNUKSIFRFKQ-INIZCTEOSA-N 1 0 492.546 4.524 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 ZINC001360644547 1065718918 /nfs/dbraw/zinc/71/89/18/1065718918.db2.gz APVHDTUMHAMAGN-AGILITTLSA-N 1 0 493.700 4.696 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC=C(Br)C1)c1ccccc1 ZINC001360644541 1065718972 /nfs/dbraw/zinc/71/89/72/1065718972.db2.gz AMXMEXRYSSYYCP-GOSISDBHSA-N 1 0 481.442 4.958 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 ZINC001360644787 1065719350 /nfs/dbraw/zinc/71/93/50/1065719350.db2.gz CPNHBMWGMCUGSA-RXVVDRJESA-N 1 0 454.569 4.951 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 ZINC001360645193 1065719951 /nfs/dbraw/zinc/71/99/51/1065719951.db2.gz GWSMAXMSQUAKOV-QUCCMNQESA-N 1 0 456.585 4.895 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H]1C)c1ccccc1 ZINC001360645591 1065721104 /nfs/dbraw/zinc/72/11/04/1065721104.db2.gz KIQMNTRTXPNUHO-AABGKKOBSA-N 1 0 480.682 4.634 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(N(C)CC2COC(C)(C)OC2)nnc1C(C)(C)C)c1ccccc1 ZINC001360645966 1065721643 /nfs/dbraw/zinc/72/16/43/1065721643.db2.gz MTTZKFKDUGOLAF-LJQANCHMSA-N 1 0 457.663 4.540 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCCCc2ccc(I)cc2)[C@H](C)C1 ZINC001360648527 1065724094 /nfs/dbraw/zinc/72/40/94/1065724094.db2.gz ROEDRTFJEZHBPA-YLJYHZDGSA-N 1 0 456.412 4.583 20 0 JJADRO Cc1cccc2cc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@H+](C)C4)cc3)c(Cl)nc12 ZINC001360659047 1065728691 /nfs/dbraw/zinc/72/86/91/1065728691.db2.gz TZLIICVPVLMFKL-FQEVSTJZSA-N 1 0 450.970 4.615 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc2ccccc2cc1Br ZINC001360706733 1065742731 /nfs/dbraw/zinc/74/27/31/1065742731.db2.gz MFBKHNHYIOYWJQ-IBGZPJMESA-N 1 0 452.396 4.982 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001360706345 1065742755 /nfs/dbraw/zinc/74/27/55/1065742755.db2.gz CINZEZIDUBEFAV-IBGGVINMSA-N 1 0 469.670 4.927 20 0 JJADRO CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001438789836 1065752524 /nfs/dbraw/zinc/75/25/24/1065752524.db2.gz PTCXSEOEHCVBJV-CPQAJJPPSA-N 1 0 461.587 4.574 20 0 JJADRO CCOC(=O)/C=C\c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001438789856 1065752613 /nfs/dbraw/zinc/75/26/13/1065752613.db2.gz PTCXSEOEHCVBJV-VYWQJBJSSA-N 1 0 461.587 4.574 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001360735922 1065764628 /nfs/dbraw/zinc/76/46/28/1065764628.db2.gz ZPWXLENXCVOINC-GBXCKJPGSA-N 1 0 451.611 4.836 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCC(F)(F)F)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001360736926 1065766948 /nfs/dbraw/zinc/76/69/48/1065766948.db2.gz AYADGDAEPKOLMI-GOSISDBHSA-N 1 0 499.553 4.591 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360738554 1065769156 /nfs/dbraw/zinc/76/91/56/1065769156.db2.gz NQCGLZPRDKLMPP-IRXDYDNUSA-N 1 0 451.537 4.523 20 0 JJADRO CN(Cc1cscc1Br)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001438945012 1065770721 /nfs/dbraw/zinc/77/07/21/1065770721.db2.gz BZGUIXFKXFIXKE-LEWJYISDSA-N 1 0 470.436 4.780 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360740798 1065774614 /nfs/dbraw/zinc/77/46/14/1065774614.db2.gz KQHOHJPHVYTSES-INIZCTEOSA-N 1 0 455.500 4.596 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001360741907 1065776236 /nfs/dbraw/zinc/77/62/36/1065776236.db2.gz SPEVMTTXTVHTQC-FQEVSTJZSA-N 1 0 485.604 4.676 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccccc2OCc2ccccc2)[C@@H]1c1cccs1 ZINC001360742087 1065776562 /nfs/dbraw/zinc/77/65/62/1065776562.db2.gz VAXWMQCGCZHNPV-HFZDXXHNSA-N 1 0 450.604 4.905 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC[NH+]1CCCC1 ZINC001360743551 1065779271 /nfs/dbraw/zinc/77/92/71/1065779271.db2.gz GFUHDHWQMIHYSR-HNNXBMFYSA-N 1 0 454.377 4.552 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001360745237 1065783852 /nfs/dbraw/zinc/78/38/52/1065783852.db2.gz IAUPTXWCLFCFTB-SJORKVTESA-N 1 0 469.527 4.820 20 0 JJADRO C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(Br)C1)[N@H+](C)C1CC1 ZINC001360745575 1065785463 /nfs/dbraw/zinc/78/54/63/1065785463.db2.gz MVXYYGCXLJSGEY-HZPDHXFCSA-N 1 0 478.410 4.529 20 0 JJADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439110265 1065787236 /nfs/dbraw/zinc/78/72/36/1065787236.db2.gz JJKVRPMORHWBPY-IQOKHDRSSA-N 1 0 459.403 4.747 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCC(F)(F)F ZINC001360746733 1065789128 /nfs/dbraw/zinc/78/91/28/1065789128.db2.gz YJZRRWMEJGWEFQ-HKUYNNGSSA-N 1 0 469.527 4.964 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCC(F)(F)F ZINC001360746734 1065789201 /nfs/dbraw/zinc/78/92/01/1065789201.db2.gz YJZRRWMEJGWEFQ-IEBWSBKVSA-N 1 0 469.527 4.964 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)COc1ccc(Br)cc1Cl ZINC001360748363 1065789672 /nfs/dbraw/zinc/78/96/72/1065789672.db2.gz WVAZEVTYMYNRCQ-INIZCTEOSA-N 1 0 451.792 4.604 20 0 JJADRO CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001360748550 1065790332 /nfs/dbraw/zinc/79/03/32/1065790332.db2.gz BGFJHSIRLNCHBU-NZQKXSOJSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCCCS1 ZINC001360748620 1065790455 /nfs/dbraw/zinc/79/04/55/1065790455.db2.gz CPZMKMGPKCKVMF-NQIIRXRSSA-N 1 0 461.651 4.763 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@](C)(O)c1ccco1 ZINC001360748762 1065791009 /nfs/dbraw/zinc/79/10/09/1065791009.db2.gz FWFRSBSCFNARRE-DCFHFQCYSA-N 1 0 499.631 4.616 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001360749430 1065792020 /nfs/dbraw/zinc/79/20/20/1065792020.db2.gz DPDACBIRBINWIN-KJJMTIBFSA-N 1 0 473.637 4.825 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001360749433 1065792116 /nfs/dbraw/zinc/79/21/16/1065792116.db2.gz DPDACBIRBINWIN-YUMYIRISSA-N 1 0 473.637 4.825 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1ccc(Cl)cc1 ZINC001545920924 1065795004 /nfs/dbraw/zinc/79/50/04/1065795004.db2.gz DKBJMCRRFWFXBH-UHFFFAOYSA-N 1 0 487.092 4.599 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001439223996 1065800796 /nfs/dbraw/zinc/80/07/96/1065800796.db2.gz JUHPENTVKNYRHS-NSHDSACASA-N 1 0 450.427 4.885 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCOCC2)n1CC(C)(C)C[NH+](C)C ZINC001360753914 1065801579 /nfs/dbraw/zinc/80/15/79/1065801579.db2.gz LCBAEYNGIMYTID-SFHVURJKSA-N 1 0 464.054 4.522 20 0 JJADRO CC(C)COC(=O)N1CCC(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CC1 ZINC001439227796 1065802408 /nfs/dbraw/zinc/80/24/08/1065802408.db2.gz YSHJIDPFSDJFIO-UHFFFAOYSA-N 1 0 455.521 4.744 20 0 JJADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001439243813 1065803877 /nfs/dbraw/zinc/80/38/77/1065803877.db2.gz CUFPGVWPIXLMSK-DBXWQHBBSA-N 1 0 451.419 4.810 20 0 JJADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001439243818 1065803930 /nfs/dbraw/zinc/80/39/30/1065803930.db2.gz CUFPGVWPIXLMSK-LQWHRVPQSA-N 1 0 451.419 4.810 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360754645 1065806428 /nfs/dbraw/zinc/80/64/28/1065806428.db2.gz YNJFWLXAAKCRGZ-GAJHUEQPSA-N 1 0 464.079 4.745 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439272064 1065807792 /nfs/dbraw/zinc/80/77/92/1065807792.db2.gz HQQWWWLTYJBEKK-YPAWHYETSA-N 1 0 473.658 4.563 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001360756203 1065813535 /nfs/dbraw/zinc/81/35/35/1065813535.db2.gz QGYNDFGCLVWIFU-CTNGQTDRSA-N 1 0 490.092 4.791 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC001439348471 1065818019 /nfs/dbraw/zinc/81/80/19/1065818019.db2.gz AVSBKVVUGVTPKA-RBUKOAKNSA-N 1 0 457.537 4.604 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCCCO ZINC001360757420 1065818735 /nfs/dbraw/zinc/81/87/35/1065818735.db2.gz AYBCWAFEUZRFPX-LJQANCHMSA-N 1 0 464.054 4.545 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1nccs1 ZINC001360758394 1065824795 /nfs/dbraw/zinc/82/47/95/1065824795.db2.gz RLFYCUZUNFHQQU-QGZVFWFLSA-N 1 0 475.062 4.887 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC[N@H+]1CC=CCC1 ZINC001360759195 1065828516 /nfs/dbraw/zinc/82/85/16/1065828516.db2.gz YWKBTFXQULIRLL-ROUUACIJSA-N 1 0 465.976 4.815 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC[C@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001360759911 1065829846 /nfs/dbraw/zinc/82/98/46/1065829846.db2.gz DOBAMHPNFHWGGO-RTBURBONSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC2(CCCCC2)C1)[NH+](C)C ZINC001360760617 1065833324 /nfs/dbraw/zinc/83/33/24/1065833324.db2.gz PQVCVFLRKPBSGP-RTBURBONSA-N 1 0 462.038 4.561 20 0 JJADRO Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@H](CC[NH+](C)C)c3cccnc3)cc12 ZINC001439515745 1065838454 /nfs/dbraw/zinc/83/84/54/1065838454.db2.gz VHHBOJWKTLGVRL-HXUWFJFHSA-N 1 0 453.999 4.867 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCC[NH+]1CCCCC1 ZINC001360762477 1065839375 /nfs/dbraw/zinc/83/93/75/1065839375.db2.gz GGKCHASUWIHWTF-OPYAIIAOSA-N 1 0 450.002 4.742 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC(C)(C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360762714 1065840718 /nfs/dbraw/zinc/84/07/18/1065840718.db2.gz KJSCFOWHKVEDAM-GAJHUEQPSA-N 1 0 496.146 4.841 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)c2cccs2)n1CC1([NH+](C)C)CCOCC1 ZINC001360763027 1065842017 /nfs/dbraw/zinc/84/20/17/1065842017.db2.gz OSBVZSVFJLJXHP-OALUTQOASA-N 1 0 487.645 4.927 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360764554 1065845398 /nfs/dbraw/zinc/84/53/98/1065845398.db2.gz BUXPBWXAVGVYTN-PGRDOPGGSA-N 1 0 480.613 4.953 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001360765023 1065847654 /nfs/dbraw/zinc/84/76/54/1065847654.db2.gz JOUQAMHNTZSVLW-FGZHOGPDSA-N 1 0 485.648 4.585 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001360765331 1065849793 /nfs/dbraw/zinc/84/97/93/1065849793.db2.gz PJFCIXWIIWSWKE-SFTDATJTSA-N 1 0 466.605 4.853 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCCO2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001360765556 1065850644 /nfs/dbraw/zinc/85/06/44/1065850644.db2.gz TWFYLAWXFFCFDS-BHIFYINESA-N 1 0 473.637 4.827 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CC1(CC)CCCC1 ZINC001545923762 1065853629 /nfs/dbraw/zinc/85/36/29/1065853629.db2.gz FFHXNTINJHBLEZ-QFIPXVFZSA-N 1 0 480.701 4.878 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)F)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001360767591 1065856928 /nfs/dbraw/zinc/85/69/28/1065856928.db2.gz RGXLYKZZEZNJGZ-SFHVURJKSA-N 1 0 488.558 4.960 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC[NH+]1CCCCC1 ZINC001360769530 1065861792 /nfs/dbraw/zinc/86/17/92/1065861792.db2.gz KADMWPCQKCNYEH-KRWDZBQOSA-N 1 0 469.527 4.822 20 0 JJADRO O=C(Cc1csc(CCC(F)(F)F)n1)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001439707059 1065862571 /nfs/dbraw/zinc/86/25/71/1065862571.db2.gz DYADXFRKNPIONC-UHFFFAOYSA-N 1 0 451.558 4.794 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001360774827 1065875488 /nfs/dbraw/zinc/87/54/88/1065875488.db2.gz UGHBKVBJXYQLKU-IMSXRSKXSA-N 1 0 487.664 4.929 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC1([NH+](C)C)CCCC1 ZINC001360775261 1065876687 /nfs/dbraw/zinc/87/66/87/1065876687.db2.gz RQLDDXLEHNOWNF-ROUUACIJSA-N 1 0 465.564 4.913 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC1([NH+](C)C)CCCC1 ZINC001360775264 1065876752 /nfs/dbraw/zinc/87/67/52/1065876752.db2.gz RQLDDXLEHNOWNF-ZWKOTPCHSA-N 1 0 465.564 4.913 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC1([NH+](C)C)CCCC1 ZINC001360775259 1065876843 /nfs/dbraw/zinc/87/68/43/1065876843.db2.gz RQLDDXLEHNOWNF-QZTJIDSGSA-N 1 0 465.564 4.913 20 0 JJADRO CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001360775256 1065877407 /nfs/dbraw/zinc/87/74/07/1065877407.db2.gz ZDWFELULGBUXME-YADHBBJMSA-N 1 0 487.664 4.788 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001360775546 1065878183 /nfs/dbraw/zinc/87/81/83/1065878183.db2.gz WAQBVLGVNYTIJM-WZOHSFFVSA-N 1 0 475.678 4.867 20 0 JJADRO O=C(Cc1cc(Br)ccc1F)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439816832 1065881207 /nfs/dbraw/zinc/88/12/07/1065881207.db2.gz DKVJJRWBWLSOAI-LADGPHEKSA-N 1 0 467.382 4.915 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001545925533 1065881430 /nfs/dbraw/zinc/88/14/30/1065881430.db2.gz PCQIMGFRSCMATK-HXUWFJFHSA-N 1 0 486.680 4.698 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC1CCC(F)(F)CC1 ZINC001545925483 1065881644 /nfs/dbraw/zinc/88/16/44/1065881644.db2.gz NOLWTQVNTFDMOY-UHFFFAOYSA-N 1 0 494.675 4.724 20 0 JJADRO CN(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1c(F)cccc1Cl ZINC001439820334 1065882403 /nfs/dbraw/zinc/88/24/03/1065882403.db2.gz UEKPKQCIFWHGOI-NZJKTDFXSA-N 1 0 466.000 4.866 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001360778204 1065883762 /nfs/dbraw/zinc/88/37/62/1065883762.db2.gz LTLNWAZMNPQCGL-OALUTQOASA-N 1 0 461.651 4.763 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCCCC[NH+]1CCCC1 ZINC001360778810 1065885643 /nfs/dbraw/zinc/88/56/43/1065885643.db2.gz RRGVWRGFRCRGKQ-NHCUHLMSSA-N 1 0 473.637 4.827 20 0 JJADRO CCCN(C(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001440079229 1065910197 /nfs/dbraw/zinc/91/01/97/1065910197.db2.gz YRWMLDULZXQUFL-UHFFFAOYSA-N 1 0 459.516 4.573 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC001440138356 1065914927 /nfs/dbraw/zinc/91/49/27/1065914927.db2.gz DZJMDRYJPCLPCQ-NRFANRHFSA-N 1 0 455.400 4.838 20 0 JJADRO CC(C)(C)[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360807902 1065920079 /nfs/dbraw/zinc/92/00/79/1065920079.db2.gz BJVATOULMFVXOV-HXUWFJFHSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)(C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360808464 1065921512 /nfs/dbraw/zinc/92/15/12/1065921512.db2.gz MKEIKHUOHVOPLQ-QFIPXVFZSA-N 1 0 453.675 4.894 20 0 JJADRO CN(Cc1ccccc1Br)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001440341761 1065931487 /nfs/dbraw/zinc/93/14/87/1065931487.db2.gz WGUIVKIAWYUXOK-XZOQPEGZSA-N 1 0 464.407 4.718 20 0 JJADRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440384695 1065936338 /nfs/dbraw/zinc/93/63/38/1065936338.db2.gz KQZJHIIOAGEADX-KRWDZBQOSA-N 1 0 450.004 4.508 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)Cc1sc(SC(F)(F)F)nc1C)[NH+]1CCCC1 ZINC001440386874 1065936910 /nfs/dbraw/zinc/93/69/10/1065936910.db2.gz KCGIVOUBAVZGTO-HNNXBMFYSA-N 1 0 459.559 4.568 20 0 JJADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001440392403 1065937307 /nfs/dbraw/zinc/93/73/07/1065937307.db2.gz YYBUKDXARGEWDR-FQEVSTJZSA-N 1 0 450.004 4.508 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC001440417780 1065939433 /nfs/dbraw/zinc/93/94/33/1065939433.db2.gz AXDQMUXGPCXYJG-UHFFFAOYSA-N 1 0 459.569 4.747 20 0 JJADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001360832726 1065944360 /nfs/dbraw/zinc/94/43/60/1065944360.db2.gz OJOQXEUDWHMZGB-SFHVURJKSA-N 1 0 463.095 4.836 20 0 JJADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001440508113 1065945542 /nfs/dbraw/zinc/94/55/42/1065945542.db2.gz JYARNTCDMGAMOQ-YKSBVNFPSA-N 1 0 451.611 4.669 20 0 JJADRO COc1ccc(CN(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1OC ZINC001440511302 1065945723 /nfs/dbraw/zinc/94/57/23/1065945723.db2.gz QGWCZOVUUMUYIK-VAVYLYDRSA-N 1 0 458.602 4.752 20 0 JJADRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(C[NH+]2CCCC2)o1 ZINC001440560929 1065949525 /nfs/dbraw/zinc/94/95/25/1065949525.db2.gz DFKWTAKWHBBDTI-UHFFFAOYSA-N 1 0 459.955 4.582 20 0 JJADRO COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001440585776 1065952032 /nfs/dbraw/zinc/95/20/32/1065952032.db2.gz DGAHARTVVABNOU-AREMUKBSSA-N 1 0 454.574 4.889 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCC3)c(C)c2)CC1 ZINC001440612250 1065954137 /nfs/dbraw/zinc/95/41/37/1065954137.db2.gz GUDRMIFJUNJFFR-HSZRJFAPSA-N 1 0 458.647 4.549 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001440634079 1065956098 /nfs/dbraw/zinc/95/60/98/1065956098.db2.gz DAKBPDSYCQMXTJ-QHCPKHFHSA-N 1 0 450.623 4.695 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001440634070 1065956147 /nfs/dbraw/zinc/95/61/47/1065956147.db2.gz DAKBPDSYCQMXTJ-HSZRJFAPSA-N 1 0 450.623 4.695 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001440638742 1065957068 /nfs/dbraw/zinc/95/70/68/1065957068.db2.gz RVTLIHZTZREOHC-KRWDZBQOSA-N 1 0 459.432 4.508 20 0 JJADRO Cc1sc(C)c(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CC(C)C)CC2)c1Br ZINC001360848814 1065957779 /nfs/dbraw/zinc/95/77/79/1065957779.db2.gz GJULUBYBVLYTQA-UHFFFAOYSA-N 1 0 489.487 4.607 20 0 JJADRO O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001440664121 1065960609 /nfs/dbraw/zinc/96/06/09/1065960609.db2.gz FVZDVKPCXGFRJB-QHCPKHFHSA-N 1 0 459.565 4.649 20 0 JJADRO COc1ccc(Br)cc1-c1nc(C(=O)NCCC[NH+]2CCCCCC2)cs1 ZINC001440675086 1065962368 /nfs/dbraw/zinc/96/23/68/1065962368.db2.gz QXAWVOGALORHQU-UHFFFAOYSA-N 1 0 452.418 4.577 20 0 JJADRO CC1=C(Br)CN(c2nnc(C(C)C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001360850844 1065962277 /nfs/dbraw/zinc/96/22/77/1065962277.db2.gz RPPKKIZIFHKWHS-IBGZPJMESA-N 1 0 450.400 4.723 20 0 JJADRO CC1=C(Br)CN(c2nnc(C(C)(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001360850881 1065962355 /nfs/dbraw/zinc/96/23/55/1065962355.db2.gz SLRLUNCLUHVGDL-UHFFFAOYSA-N 1 0 473.463 4.766 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001440675826 1065962575 /nfs/dbraw/zinc/96/25/75/1065962575.db2.gz LYWCIIWDCDZXDT-DEOSSOPVSA-N 1 0 450.652 4.804 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678258 1065963590 /nfs/dbraw/zinc/96/35/90/1065963590.db2.gz VSSRJMDYKILKAL-YADHBBJMSA-N 1 0 451.394 4.587 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CC(C)(C)[NH+]2CCCCC2)o1 ZINC001360851238 1065963662 /nfs/dbraw/zinc/96/36/62/1065963662.db2.gz FLDHYAGDOJHLDO-UHFFFAOYSA-N 1 0 462.436 4.990 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001360851253 1065963696 /nfs/dbraw/zinc/96/36/96/1065963696.db2.gz FVJAWQJESIYYNL-HNNXBMFYSA-N 1 0 464.839 4.960 20 0 JJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 ZINC001440680621 1065964401 /nfs/dbraw/zinc/96/44/01/1065964401.db2.gz CMHRFTMANGUYBH-UHFFFAOYSA-N 1 0 454.977 4.925 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCc3ccccc3C[NH+]3CCCCC3)CCCC[C@H]12 ZINC001440682095 1065965444 /nfs/dbraw/zinc/96/54/44/1065965444.db2.gz MZXCLKLWWIMXFL-WNCULLNHSA-N 1 0 455.643 4.859 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@H](c2ccco2)[NH+](C)C)o1 ZINC001360851696 1065965427 /nfs/dbraw/zinc/96/54/27/1065965427.db2.gz PMIYITSUAUYLBJ-QGZVFWFLSA-N 1 0 460.376 4.621 20 0 JJADRO CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001440683232 1065965811 /nfs/dbraw/zinc/96/58/11/1065965811.db2.gz XXICMAGDKLCJEA-UTKZUKDTSA-N 1 0 452.039 4.750 20 0 JJADRO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001440691002 1065967397 /nfs/dbraw/zinc/96/73/97/1065967397.db2.gz ZHLFUMSBODHZOP-RUZDIDTESA-N 1 0 451.611 4.630 20 0 JJADRO CC1=C(Br)CN(c2nnc(C3CCC3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001360853337 1065969467 /nfs/dbraw/zinc/96/94/67/1065969467.db2.gz JXHFOJUOCNAIIA-KRWDZBQOSA-N 1 0 450.469 4.937 20 0 JJADRO CC1=C(Br)CN(c2nnc(CC(C)C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001360853533 1065969917 /nfs/dbraw/zinc/96/99/17/1065969917.db2.gz GCBAEQSREIZHSY-HXUWFJFHSA-N 1 0 464.427 4.798 20 0 JJADRO O=C(/C=C\c1ccc(Cl)cc1)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440748829 1065975926 /nfs/dbraw/zinc/97/59/26/1065975926.db2.gz UFNIQKKLVMAXLK-YFHOEESVSA-N 1 0 451.920 4.701 20 0 JJADRO C[C@H](CC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc(F)c1 ZINC001440749556 1065976057 /nfs/dbraw/zinc/97/60/57/1065976057.db2.gz WPLCAWVSBAZZJV-GOSISDBHSA-N 1 0 451.508 4.667 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(C)=C(Br)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001360857745 1065976208 /nfs/dbraw/zinc/97/62/08/1065976208.db2.gz LJAVKNXSNOJAAS-UHFFFAOYSA-N 1 0 490.490 4.941 20 0 JJADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C[C@@H](C)O1 ZINC001440826758 1065981820 /nfs/dbraw/zinc/98/18/20/1065981820.db2.gz NNXACICWTYIYSC-YVHKJVDXSA-N 1 0 451.007 4.928 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCC[N@H+]2CCCC[C@H]2C)c1C ZINC001360864778 1065983152 /nfs/dbraw/zinc/98/31/52/1065983152.db2.gz IHJJGCMTMUSQJW-RCZVLFRGSA-N 1 0 496.700 4.866 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)c1C ZINC001360865607 1065985047 /nfs/dbraw/zinc/98/50/47/1065985047.db2.gz FKVWSTZFRLYBFK-KIFXHHALSA-N 1 0 496.700 4.532 20 0 JJADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001440865554 1065985223 /nfs/dbraw/zinc/98/52/23/1065985223.db2.gz PXIOVQXZFNMKIA-DNQXCXABSA-N 1 0 457.659 4.893 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(C)(C)C)n2C[C@@]2([NH+](C)C)CCSC2)c1C ZINC001360866160 1065987354 /nfs/dbraw/zinc/98/73/54/1065987354.db2.gz NMRFOWRDXXTGFV-NLFFAJNJSA-N 1 0 459.704 4.955 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360866150 1065987601 /nfs/dbraw/zinc/98/76/01/1065987601.db2.gz NJSCTSYHOPZNSW-NSHGMRRFSA-N 1 0 497.606 4.921 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CCOCC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360868264 1065991135 /nfs/dbraw/zinc/99/11/35/1065991135.db2.gz AAFIPKHBJKNEDM-HSZRJFAPSA-N 1 0 469.674 4.774 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CCOCC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360868265 1065991209 /nfs/dbraw/zinc/99/12/09/1065991209.db2.gz AAFIPKHBJKNEDM-QHCPKHFHSA-N 1 0 469.674 4.774 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360868868 1065994362 /nfs/dbraw/zinc/99/43/62/1065994362.db2.gz CBUFDASDXSGVAG-IFMALSPDSA-N 1 0 469.674 4.913 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccccn3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360868839 1065994440 /nfs/dbraw/zinc/99/44/40/1065994440.db2.gz KPUFYOFNOIDMNZ-JOCHJYFZSA-N 1 0 462.642 4.941 20 0 JJADRO Cc1c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cnn1CCO[C@@H]1CCCCO1 ZINC001440935361 1065995406 /nfs/dbraw/zinc/99/54/06/1065995406.db2.gz DXZGDMULXLVYAM-RUZDIDTESA-N 1 0 454.615 4.752 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001360869118 1065996323 /nfs/dbraw/zinc/99/63/23/1065996323.db2.gz FBWRNRRINDEJBS-WDWDUUAGSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCOC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360869248 1065997073 /nfs/dbraw/zinc/99/70/73/1065997073.db2.gz NGYPHGYNMZESBA-BJKOFHAPSA-N 1 0 469.674 4.774 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001360869267 1065997096 /nfs/dbraw/zinc/99/70/96/1065997096.db2.gz NMLKJZVSJDXSHQ-FGZHOGPDSA-N 1 0 466.630 4.780 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001360869536 1065998118 /nfs/dbraw/zinc/99/81/18/1065998118.db2.gz ICSINBDBAGJYOT-RRJCBXKSSA-N 1 0 483.701 4.874 20 0 JJADRO CN(Cc1cccs1)C(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001441017848 1066001337 /nfs/dbraw/zinc/00/13/37/1066001337.db2.gz YURISYGBVFIWID-UHFFFAOYSA-N 1 0 457.640 4.656 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccoc3)n2C[C@@H](C)C[NH+]2CCCC2)c1C ZINC001360870353 1066002163 /nfs/dbraw/zinc/00/21/63/1066002163.db2.gz XGVQCVOMTQWIRR-UGKGYDQZSA-N 1 0 451.615 4.996 20 0 JJADRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC001441039553 1066002656 /nfs/dbraw/zinc/00/26/56/1066002656.db2.gz QIBLZFJYQAWSDY-XMMPIXPASA-N 1 0 458.002 4.959 20 0 JJADRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC001441039551 1066002700 /nfs/dbraw/zinc/00/27/00/1066002700.db2.gz QIBLZFJYQAWSDY-DEOSSOPVSA-N 1 0 458.002 4.959 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2CC[NH+]2CCCCCC2)c1C ZINC001360870592 1066002872 /nfs/dbraw/zinc/00/28/72/1066002872.db2.gz YKUAOPXDJBDKEW-OAQYLSRUSA-N 1 0 452.603 4.535 20 0 JJADRO Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001441064720 1066005404 /nfs/dbraw/zinc/00/54/04/1066005404.db2.gz ZGJTVMAHHBPTMX-INIZCTEOSA-N 1 0 458.628 4.960 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CC2([NH+](C)C)CCOCC2)c1C ZINC001360871761 1066005955 /nfs/dbraw/zinc/00/59/55/1066005955.db2.gz ZZEZEJAOBGLTNC-IEIRFRATSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@](C)(O)C2CC2)c1C ZINC001360872832 1066007228 /nfs/dbraw/zinc/00/72/28/1066007228.db2.gz BHLZHJKDXIENQT-RBISFHTESA-N 1 0 483.701 4.753 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CCCO)CC3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360873750 1066010693 /nfs/dbraw/zinc/01/06/93/1066010693.db2.gz KKEVLCDAHJYRAB-GMAHTHKFSA-N 1 0 469.674 4.508 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCC[C@H]2C)c1C ZINC001360873980 1066011251 /nfs/dbraw/zinc/01/12/51/1066011251.db2.gz JBDHCMWADAHEMV-MOSBNWHCSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)c1C ZINC001360874273 1066013080 /nfs/dbraw/zinc/01/30/80/1066013080.db2.gz NLLVBONDYXKTEU-VWNXMTODSA-N 1 0 483.701 4.876 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CC[NH+]2CCSCC2)c1C ZINC001360874724 1066015031 /nfs/dbraw/zinc/01/50/31/1066015031.db2.gz OBNLLNVUHVMRBN-SIKLNZKXSA-N 1 0 457.688 4.710 20 0 JJADRO CCc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001441225335 1066016916 /nfs/dbraw/zinc/01/69/16/1066016916.db2.gz LINZFFSKDDXUDO-KRWDZBQOSA-N 1 0 458.393 4.531 20 0 JJADRO CC[C@@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)[N@@H+]1CCc2ccccc2C1 ZINC001441234291 1066017282 /nfs/dbraw/zinc/01/72/82/1066017282.db2.gz DAFGNFSPUABLJI-VMODYCNZSA-N 1 0 455.643 4.509 20 0 JJADRO CC[C@@H](CNC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001441241293 1066018991 /nfs/dbraw/zinc/01/89/91/1066018991.db2.gz NTQUVEKZZVJBLE-CYFREDJKSA-N 1 0 451.611 4.839 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001441245079 1066019686 /nfs/dbraw/zinc/01/96/86/1066019686.db2.gz VFFOTGIDCPVJBT-VXNXHJTFSA-N 1 0 455.643 4.857 20 0 JJADRO Cc1nc(-c2ccc(C(=O)NCCCC[NH+]3CCN(c4cccc(C)c4)CC3)s2)cs1 ZINC001441246792 1066020415 /nfs/dbraw/zinc/02/04/15/1066020415.db2.gz VWNQDZVBNIATAO-UHFFFAOYSA-N 1 0 454.665 4.821 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCOc2ccc(Cl)cn2)c1C ZINC001360877430 1066023106 /nfs/dbraw/zinc/02/31/06/1066023106.db2.gz LJYJXAKMGYKNAH-OAQYLSRUSA-N 1 0 499.059 4.693 20 0 JJADRO CC(C)(C)OC(=O)N1CCOc2cc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)ccc2C1 ZINC001441298136 1066023783 /nfs/dbraw/zinc/02/37/83/1066023783.db2.gz ORRSNUUPXPXZFV-UHFFFAOYSA-N 1 0 451.567 4.664 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1C ZINC001360877909 1066024420 /nfs/dbraw/zinc/02/44/20/1066024420.db2.gz PSHSHKCRAIKGOS-UNMCSNQZSA-N 1 0 469.655 4.626 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccccc3NC(=O)c3cccc(C)c3)cc2)CC1 ZINC001441313874 1066024946 /nfs/dbraw/zinc/02/49/46/1066024946.db2.gz QHXCTJAYASSPEB-UHFFFAOYSA-N 1 0 456.590 4.637 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)cc2)CC1 ZINC001441314246 1066026059 /nfs/dbraw/zinc/02/60/59/1066026059.db2.gz SNIPUQYWRSMBKC-UHFFFAOYSA-N 1 0 450.970 4.917 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCOCCC(C)C)c1C ZINC001360878675 1066027019 /nfs/dbraw/zinc/02/70/19/1066027019.db2.gz YDOYJTLMOGGMSU-RPWUZVMVSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@@H]3C)n2C[C@H](c2ccsc2)[NH+](C)C)c1C ZINC001360879069 1066028717 /nfs/dbraw/zinc/02/87/17/1066028717.db2.gz FRMFEBAVKZAQGW-CZTZKLFOSA-N 1 0 469.655 4.624 20 0 JJADRO COc1ccccc1Nc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001441326910 1066028815 /nfs/dbraw/zinc/02/88/15/1066028815.db2.gz SWEWMZUHVGYDFB-SFTDATJTSA-N 1 0 459.590 4.978 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[NH+]2CCCCC2)c1C ZINC001360879673 1066031148 /nfs/dbraw/zinc/03/11/48/1066031148.db2.gz OHOHXNICSVRMQC-FCHUYYIVSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)c1C ZINC001360879596 1066031320 /nfs/dbraw/zinc/03/13/20/1066031320.db2.gz MXAISNKEUHBDCM-ZYKOEDHHSA-N 1 0 469.674 4.769 20 0 JJADRO CC1=C(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001360880745 1066033515 /nfs/dbraw/zinc/03/35/15/1066033515.db2.gz BWPYLXDJLLULGQ-OAQYLSRUSA-N 1 0 499.084 4.772 20 0 JJADRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)O2 ZINC001441358286 1066033456 /nfs/dbraw/zinc/03/34/56/1066033456.db2.gz SQSODEUGEDRLRU-KWMCUTETSA-N 1 0 450.623 4.949 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(F)(F)c2ccccc2Br)cc1 ZINC001441364887 1066035222 /nfs/dbraw/zinc/03/52/22/1066035222.db2.gz NIBVDCGPKVMSNZ-UHFFFAOYSA-N 1 0 455.343 4.578 20 0 JJADRO CC1=C(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001360883334 1066036909 /nfs/dbraw/zinc/03/69/09/1066036909.db2.gz PDVCGLQIPXLXJS-NRFANRHFSA-N 1 0 485.076 4.673 20 0 JJADRO CC1=C(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001360883819 1066038040 /nfs/dbraw/zinc/03/80/40/1066038040.db2.gz YDMFIZVBLFSPHB-FQEVSTJZSA-N 1 0 474.049 4.729 20 0 JJADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1ccc(NC(N)=O)cc1 ZINC001441424669 1066040115 /nfs/dbraw/zinc/04/01/15/1066040115.db2.gz RPHIFUZCJBYTSH-RIEVBORMSA-N 1 0 477.008 4.924 20 0 JJADRO CC1=C(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001360887911 1066041167 /nfs/dbraw/zinc/04/11/67/1066041167.db2.gz KANLQZPKEDQPFH-JOCHJYFZSA-N 1 0 486.705 4.814 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC001441442048 1066041208 /nfs/dbraw/zinc/04/12/08/1066041208.db2.gz DASXLYUMTRQADL-NRFANRHFSA-N 1 0 450.366 4.846 20 0 JJADRO CC1=C(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001360888509 1066041668 /nfs/dbraw/zinc/04/16/68/1066041668.db2.gz YIQWIDXILPRUEN-VXKWHMMOSA-N 1 0 498.672 4.835 20 0 JJADRO CC[C@@H]1[C@@H](C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC001441457864 1066042112 /nfs/dbraw/zinc/04/21/12/1066042112.db2.gz BXUGIHBVSOURJG-QEFHDYNCSA-N 1 0 457.659 4.816 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)cc1 ZINC001441454978 1066042248 /nfs/dbraw/zinc/04/22/48/1066042248.db2.gz AHCLWWPTUKGIJE-UHFFFAOYSA-N 1 0 450.558 4.863 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001441460116 1066042599 /nfs/dbraw/zinc/04/25/99/1066042599.db2.gz OUEMYNUSLJBIOX-XDNSSPFJSA-N 1 0 459.631 4.914 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc(Cl)ncc2Br)C1 ZINC001441460901 1066042742 /nfs/dbraw/zinc/04/27/42/1066042742.db2.gz HGOZAANYZHEICI-HUUCEWRRSA-N 1 0 450.808 4.905 20 0 JJADRO CC1=C(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001360892570 1066044375 /nfs/dbraw/zinc/04/43/75/1066044375.db2.gz DKRMGPDQVYPGIJ-UHFFFAOYSA-N 1 0 489.133 4.796 20 0 JJADRO Cc1ccc(SCc2nnc(N3CCC(C)=C(C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001360892640 1066044941 /nfs/dbraw/zinc/04/49/41/1066044941.db2.gz HBXDIPDINXGXON-UHFFFAOYSA-N 1 0 469.699 4.661 20 0 JJADRO CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001360893058 1066045618 /nfs/dbraw/zinc/04/56/18/1066045618.db2.gz XBGSHBKGCJHXCM-UHFFFAOYSA-N 1 0 481.685 4.812 20 0 JJADRO COC(=O)c1ccoc1CSc1ccccc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001441502181 1066046885 /nfs/dbraw/zinc/04/68/85/1066046885.db2.gz VCWFXSDSSABKQK-KDURUIRLSA-N 1 0 458.624 4.846 20 0 JJADRO Cc1nc([C@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCOCC[NH+](C)C)C2)sc1C ZINC001360894262 1066046967 /nfs/dbraw/zinc/04/69/67/1066046967.db2.gz LTEHKSPHANMGQD-FQEVSTJZSA-N 1 0 489.089 4.634 20 0 JJADRO Cc1nc([C@@H]2CCCN(c3nnc(Cc4ccccn4)n3C[C@H](CC(C)C)[NH+](C)C)C2)sc1C ZINC001360895375 1066048073 /nfs/dbraw/zinc/04/80/73/1066048073.db2.gz ABRBPTNNECZPEF-GGAORHGYSA-N 1 0 481.714 4.698 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001545942656 1066048470 /nfs/dbraw/zinc/04/84/70/1066048470.db2.gz BQOPPNZUUFUNEI-TUACAJSNSA-N 1 0 498.691 4.649 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)[C@]3(F)CCN(C(=O)OCc4ccccc4)C3)cc2)CC1 ZINC001441611407 1066053753 /nfs/dbraw/zinc/05/37/53/1066053753.db2.gz KJTHVLVHKJJWFA-SANMLTNESA-N 1 0 453.558 4.608 20 0 JJADRO Cc1nc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](CC(C)C)CC2)sc1C ZINC001360901272 1066054616 /nfs/dbraw/zinc/05/46/16/1066054616.db2.gz KVIHFXINXCNWSC-SFHVURJKSA-N 1 0 489.089 4.971 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(Cl)c(I)c2)c1 ZINC001441624819 1066055366 /nfs/dbraw/zinc/05/53/66/1066055366.db2.gz RQUXRZFFUJWPOR-UHFFFAOYSA-N 1 0 456.755 4.716 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 ZINC001441649029 1066057630 /nfs/dbraw/zinc/05/76/30/1066057630.db2.gz ZYEYENUUEMVYIC-QHCPKHFHSA-N 1 0 455.643 4.503 20 0 JJADRO Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCCC[C@@H]3C)CC2)sc1C ZINC001360908009 1066063082 /nfs/dbraw/zinc/06/30/82/1066063082.db2.gz XPDFTSMHLNFRRD-FQEVSTJZSA-N 1 0 487.762 4.921 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(F)(F)F)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001360908412 1066064037 /nfs/dbraw/zinc/06/40/37/1066064037.db2.gz KBKJGOFQJZENSF-AWEZNQCLSA-N 1 0 464.561 4.858 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCC(F)F)n1CC[NH+]1CCCCC1 ZINC001360908449 1066064137 /nfs/dbraw/zinc/06/41/37/1066064137.db2.gz LDPCDGBOHUHZCA-UHFFFAOYSA-N 1 0 460.598 4.954 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC001360909663 1066065735 /nfs/dbraw/zinc/06/57/35/1066065735.db2.gz ZDBSAROXQXNFFP-JOCHJYFZSA-N 1 0 451.611 4.947 20 0 JJADRO Cc1sc(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)nc1-c1cccc(Cl)c1 ZINC001441738400 1066066210 /nfs/dbraw/zinc/06/62/10/1066066210.db2.gz AKFPYRHDXCYARD-MRXNPFEDSA-N 1 0 453.008 4.555 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(CO)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001360910858 1066067452 /nfs/dbraw/zinc/06/74/52/1066067452.db2.gz RHFQPVHNKPEDRL-QFIPXVFZSA-N 1 0 482.698 4.562 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[C@@H](C)CC2)n1CCOCC[NH+](C)C ZINC001360910926 1066067464 /nfs/dbraw/zinc/06/74/64/1066067464.db2.gz SPIIFEUXIBQQQW-LJQANCHMSA-N 1 0 468.671 4.582 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@H](C)C1 ZINC001360913832 1066070247 /nfs/dbraw/zinc/07/02/47/1066070247.db2.gz KDTVIPOSRKRAKB-IERDGZPVSA-N 1 0 458.400 4.504 20 0 JJADRO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)cc12 ZINC001441812288 1066072144 /nfs/dbraw/zinc/07/21/44/1066072144.db2.gz JBHOTEDODDMGEW-OAQYLSRUSA-N 1 0 454.546 4.765 20 0 JJADRO Cc1ncsc1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360918133 1066073595 /nfs/dbraw/zinc/07/35/95/1066073595.db2.gz JMFVLXKZEPWCHF-UHFFFAOYSA-N 1 0 489.487 4.636 20 0 JJADRO Cc1ccsc1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360918281 1066073840 /nfs/dbraw/zinc/07/38/40/1066073840.db2.gz NSWRFWALROVOLE-UHFFFAOYSA-N 1 0 491.503 4.579 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC)[NH+]1CCCCC1 ZINC001441878742 1066076421 /nfs/dbraw/zinc/07/64/21/1066076421.db2.gz BYFKUYVYUWPFAG-LJQANCHMSA-N 1 0 456.656 4.770 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)[NH+]1CCCCC1 ZINC001441886752 1066078222 /nfs/dbraw/zinc/07/82/22/1066078222.db2.gz PBZNZXLVBAWHRM-MLUDITRGSA-N 1 0 454.567 4.600 20 0 JJADRO Cc1ccsc1CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360923940 1066079942 /nfs/dbraw/zinc/07/99/42/1066079942.db2.gz GGISXWLFGYTNSW-UHFFFAOYSA-N 1 0 455.647 4.931 20 0 JJADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001360928950 1066084649 /nfs/dbraw/zinc/08/46/49/1066084649.db2.gz SEFXXTLIISDWQW-ZEQRLZLVSA-N 1 0 451.611 4.938 20 0 JJADRO CC(C)c1nc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)nn1-c1c(Cl)cccc1Cl ZINC001442011348 1066085344 /nfs/dbraw/zinc/08/53/44/1066085344.db2.gz TVZYMUNAJVTVRI-UHFFFAOYSA-N 1 0 452.430 4.892 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)c2ccccc2)CC1 ZINC001442063984 1066088767 /nfs/dbraw/zinc/08/87/67/1066088767.db2.gz SCCNBBPOBFISIF-DHLKQENFSA-N 1 0 457.977 4.952 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3cccc(Cl)c3)n2CC2([NH+](C)C)CCCCC2)cnn1C ZINC001360932234 1066089667 /nfs/dbraw/zinc/08/96/67/1066089667.db2.gz JEKRGVIUEDROQB-UHFFFAOYSA-N 1 0 456.038 4.541 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)c1nnn(-c2ccccc2)c1C(F)F)C1CCCCC1 ZINC001442075473 1066090110 /nfs/dbraw/zinc/09/01/10/1066090110.db2.gz BLKBYYAHTXRXDU-UHFFFAOYSA-N 1 0 453.537 4.899 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)C2=Cc3cc(Br)ccc3OC2)c2ccccc2)CC1 ZINC001442079919 1066090633 /nfs/dbraw/zinc/09/06/33/1066090633.db2.gz VROMHRIKTAOFND-QFIPXVFZSA-N 1 0 455.396 4.814 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)c2cnc3ncc(Br)cc3c2)c2ccccc2)CC1 ZINC001442081250 1066091054 /nfs/dbraw/zinc/09/10/54/1066091054.db2.gz XBOUYLRWFHRVEZ-OAQYLSRUSA-N 1 0 453.384 4.595 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC[N@@H+]1C ZINC001360933638 1066091545 /nfs/dbraw/zinc/09/15/45/1066091545.db2.gz LAAPWZJNYHRADA-RDJZCZTQSA-N 1 0 453.384 4.614 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC[N@@H+]1C ZINC001360933636 1066091569 /nfs/dbraw/zinc/09/15/69/1066091569.db2.gz LAAPWZJNYHRADA-DOTOQJQBSA-N 1 0 453.384 4.614 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCCC1 ZINC001360934531 1066092372 /nfs/dbraw/zinc/09/23/72/1066092372.db2.gz CHWZKFNUHVPSMI-UHFFFAOYSA-N 1 0 464.433 4.793 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)cc2)n1CC[NH+]1CCCCC1 ZINC001360935230 1066094810 /nfs/dbraw/zinc/09/48/10/1066094810.db2.gz YCEKVEQAEHOFHK-UHFFFAOYSA-N 1 0 475.460 4.595 20 0 JJADRO Cc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001442112187 1066095773 /nfs/dbraw/zinc/09/57/73/1066095773.db2.gz YQPRUEZQXXGDIP-UHFFFAOYSA-N 1 0 456.512 4.842 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360944804 1066099830 /nfs/dbraw/zinc/09/98/30/1066099830.db2.gz JSSJZQSQRSBKIE-OAQYLSRUSA-N 1 0 474.625 4.669 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001360944767 1066099883 /nfs/dbraw/zinc/09/98/83/1066099883.db2.gz ITFUTKQHINMUAJ-SFHVURJKSA-N 1 0 456.635 4.530 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001360947049 1066101935 /nfs/dbraw/zinc/10/19/35/1066101935.db2.gz WZHTXBZIMUPOLD-HXUWFJFHSA-N 1 0 452.653 4.635 20 0 JJADRO Cc1c(CN(C)c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC001360947778 1066103036 /nfs/dbraw/zinc/10/30/36/1066103036.db2.gz YTLNTRCRMHNNBV-ZRZAMGCNSA-N 1 0 491.728 4.888 20 0 JJADRO Cc1c(CN(C)c2nnc(CCCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1C ZINC001360947777 1066103074 /nfs/dbraw/zinc/10/30/74/1066103074.db2.gz YTLNTRCRMHNNBV-GOTSBHOMSA-N 1 0 491.728 4.888 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360949370 1066104300 /nfs/dbraw/zinc/10/43/00/1066104300.db2.gz DLYKCDXXBAYWST-UHFFFAOYSA-N 1 0 472.634 4.662 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001360949439 1066104803 /nfs/dbraw/zinc/10/48/03/1066104803.db2.gz GUQXTWHJQHFFCD-BVZFJXPGSA-N 1 0 486.661 4.908 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360949542 1066105491 /nfs/dbraw/zinc/10/54/91/1066105491.db2.gz KMOWXWFUDBXHBO-IBGZPJMESA-N 1 0 477.103 4.965 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360949543 1066105521 /nfs/dbraw/zinc/10/55/21/1066105521.db2.gz KMOWXWFUDBXHBO-LJQANCHMSA-N 1 0 477.103 4.965 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[NH+]1CCSCC1 ZINC001360949537 1066105577 /nfs/dbraw/zinc/10/55/77/1066105577.db2.gz KGZCEPUESQDTGB-UHFFFAOYSA-N 1 0 496.464 4.751 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001360949631 1066106334 /nfs/dbraw/zinc/10/63/34/1066106334.db2.gz NERWIQCTSIBDHA-QGZVFWFLSA-N 1 0 475.062 4.644 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2Cl)CC1 ZINC001442243526 1066107315 /nfs/dbraw/zinc/10/73/15/1066107315.db2.gz FTYXTZXVJMFDNW-FQEVSTJZSA-N 1 0 456.801 4.851 20 0 JJADRO CC[C@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)N(C)C(=O)OC(C)(C)C ZINC001442312721 1066115773 /nfs/dbraw/zinc/11/57/73/1066115773.db2.gz WIKOHFCSIYWFQF-RTBURBONSA-N 1 0 459.553 4.850 20 0 JJADRO CC[C@@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)N(C)C(=O)OC(C)(C)C ZINC001442312717 1066115822 /nfs/dbraw/zinc/11/58/22/1066115822.db2.gz WIKOHFCSIYWFQF-RBUKOAKNSA-N 1 0 459.553 4.850 20 0 JJADRO C[N@H+](CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC001442336666 1066118211 /nfs/dbraw/zinc/11/82/11/1066118211.db2.gz LDLUGRDPJIAMDP-LJQANCHMSA-N 1 0 457.537 4.652 20 0 JJADRO C[C@@H](CC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442344625 1066118243 /nfs/dbraw/zinc/11/82/43/1066118243.db2.gz UDEPHZZYSWSSEW-UPVQGACJSA-N 1 0 459.675 4.683 20 0 JJADRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1OCc1csc(Br)c1 ZINC001442363373 1066120283 /nfs/dbraw/zinc/12/02/83/1066120283.db2.gz GFCOVSFGSWVWDS-INIZCTEOSA-N 1 0 451.430 4.858 20 0 JJADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001442427262 1066126811 /nfs/dbraw/zinc/12/68/11/1066126811.db2.gz GITPVHZPPZIDAZ-KXBFYZLASA-N 1 0 458.430 4.750 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(F)cc2n[nH]nc21)[NH+](C)C ZINC001442463124 1066127984 /nfs/dbraw/zinc/12/79/84/1066127984.db2.gz KDIFILRGGAEUEG-IBGZPJMESA-N 1 0 452.361 4.632 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(C=O)c1)[NH+](C)C ZINC001442464354 1066128089 /nfs/dbraw/zinc/12/80/89/1066128089.db2.gz KZWDCZKRQXHPHA-JOCHJYFZSA-N 1 0 451.394 4.800 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001442467517 1066128533 /nfs/dbraw/zinc/12/85/33/1066128533.db2.gz MLASLEZDCAHPRX-ISKFKSNPSA-N 1 0 451.611 4.671 20 0 JJADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc(-c4cccc(Cl)c4F)no3)CC2)cc1 ZINC001442568684 1066138990 /nfs/dbraw/zinc/13/89/90/1066138990.db2.gz HATAVBCMUQGROA-UHFFFAOYSA-N 1 0 457.933 4.785 20 0 JJADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(COc4ccc(C)nc4)c3)CC2)cc1 ZINC001442576610 1066140305 /nfs/dbraw/zinc/14/03/05/1066140305.db2.gz ZBDXJFDEUZABIS-UHFFFAOYSA-N 1 0 459.590 4.620 20 0 JJADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001442580317 1066140750 /nfs/dbraw/zinc/14/07/50/1066140750.db2.gz ZPXSUXGOPGAOQT-UHFFFAOYSA-N 1 0 450.377 4.773 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001442591449 1066141327 /nfs/dbraw/zinc/14/13/27/1066141327.db2.gz KFGOHTNEMZIZKP-ZJSXRUAMSA-N 1 0 457.659 4.921 20 0 JJADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001442592622 1066141656 /nfs/dbraw/zinc/14/16/56/1066141656.db2.gz MQVYKBOXGBBTEH-XPWALMASSA-N 1 0 453.583 4.512 20 0 JJADRO COc1ccc(Br)c2[nH]c(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)cc21 ZINC001442596275 1066142875 /nfs/dbraw/zinc/14/28/75/1066142875.db2.gz VLICBWNGLGJUML-FQEVSTJZSA-N 1 0 456.384 4.814 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC001360983869 1066144209 /nfs/dbraw/zinc/14/42/09/1066144209.db2.gz WUGRAFBCHXCCSU-UHFFFAOYSA-N 1 0 457.618 4.877 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001360985451 1066147207 /nfs/dbraw/zinc/14/72/07/1066147207.db2.gz BBASZMLZMAIENM-QHCPKHFHSA-N 1 0 480.701 4.995 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360985486 1066147755 /nfs/dbraw/zinc/14/77/55/1066147755.db2.gz BVNXKLVZWMKKJR-VXKWHMMOSA-N 1 0 496.681 4.576 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccnc2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001360985593 1066148454 /nfs/dbraw/zinc/14/84/54/1066148454.db2.gz GNPSZXDRFDTWMA-MMTVBGGISA-N 1 0 489.668 4.542 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001360985737 1066149007 /nfs/dbraw/zinc/14/90/07/1066149007.db2.gz KEZMMICWBZFSSF-HFMPRLQTSA-N 1 0 496.700 4.579 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001360985874 1066149151 /nfs/dbraw/zinc/14/91/51/1066149151.db2.gz NOTATDLVPIOWFZ-NRFANRHFSA-N 1 0 452.647 4.502 20 0 JJADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC001442666953 1066149490 /nfs/dbraw/zinc/14/94/90/1066149490.db2.gz QHZDTYJSFKHKAX-OPYAIIAOSA-N 1 0 457.665 4.956 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1CC[NH+]1CCCCCC1 ZINC001360986181 1066150317 /nfs/dbraw/zinc/15/03/17/1066150317.db2.gz WMWMLCSBVZAZRP-UHFFFAOYSA-N 1 0 452.647 4.503 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@H](C)[NH+](C)C ZINC001360986321 1066150772 /nfs/dbraw/zinc/15/07/72/1066150772.db2.gz APEVOKJVOODFNL-ZVDOUQERSA-N 1 0 464.054 4.644 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ccccn2)n1C[C@@H](C)[NH+](C)C ZINC001360986637 1066153666 /nfs/dbraw/zinc/15/36/66/1066153666.db2.gz ITFJNPFOICCEOU-RTBURBONSA-N 1 0 457.022 4.670 20 0 JJADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442715639 1066154602 /nfs/dbraw/zinc/15/46/02/1066154602.db2.gz DLUBAPMFSBBYLJ-XXBNENTESA-N 1 0 457.590 4.618 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccccn1)[NH+]1CCCC1 ZINC001545951749 1066158577 /nfs/dbraw/zinc/15/85/77/1066158577.db2.gz BYACRFHQIZINDC-SIKLNZKXSA-N 1 0 469.033 4.977 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360989330 1066160525 /nfs/dbraw/zinc/16/05/25/1066160525.db2.gz CPOHNOIICDSKIY-LPHOPBHVSA-N 1 0 467.992 4.874 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCn2cccn2)n1CC[NH+]1CCCCC1 ZINC001360989382 1066161198 /nfs/dbraw/zinc/16/11/98/1066161198.db2.gz DHKCHIANVKJBLJ-OAQYLSRUSA-N 1 0 486.064 4.507 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001360990050 1066165242 /nfs/dbraw/zinc/16/52/42/1066165242.db2.gz PHZYHWTUTWFSMC-VWPQPMDRSA-N 1 0 490.092 4.770 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001360990214 1066166579 /nfs/dbraw/zinc/16/65/79/1066166579.db2.gz RCKOVOFHIPYIBV-SRUXOGRHSA-N 1 0 490.092 4.627 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(F)cn1 ZINC001360991243 1066169456 /nfs/dbraw/zinc/16/94/56/1066169456.db2.gz ATYGHBCUYUGPBS-LJQANCHMSA-N 1 0 487.023 4.801 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC[C@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001360992130 1066171062 /nfs/dbraw/zinc/17/10/62/1066171062.db2.gz JAGHPTVXSFIGJB-UXHICEINSA-N 1 0 476.065 4.788 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOCC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001360992290 1066171554 /nfs/dbraw/zinc/17/15/54/1066171554.db2.gz MLAINAIPBXIKHX-FCHUYYIVSA-N 1 0 490.092 4.893 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360992499 1066171820 /nfs/dbraw/zinc/17/18/20/1066171820.db2.gz OWISGHXYVOOUSC-DZFGPLHGSA-N 1 0 476.065 4.645 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360992681 1066171997 /nfs/dbraw/zinc/17/19/97/1066171997.db2.gz QYDPZJVUQPTWRX-BURNTYAHSA-N 1 0 476.065 4.786 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSCC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001360992687 1066172335 /nfs/dbraw/zinc/17/23/35/1066172335.db2.gz RBQKWVKBZOQSKK-FXAWDEMLSA-N 1 0 478.106 4.973 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3C[C@@H](C3CCCCC3)[NH+](C)C)CC2)c(C)o1 ZINC001360994578 1066173845 /nfs/dbraw/zinc/17/38/45/1066173845.db2.gz RLNWDNWUMTZCND-DEOSSOPVSA-N 1 0 484.689 4.521 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)CCCOc2ccccc2Br)[C@H]1c1cccs1 ZINC001360996030 1066174863 /nfs/dbraw/zinc/17/48/63/1066174863.db2.gz BAXNMTFSMPNLMC-KKSFZXQISA-N 1 0 451.430 4.869 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)C[C@@H]1CCC2(CCOCC2)CO1)Cc1ccccc1 ZINC001361013197 1066198788 /nfs/dbraw/zinc/19/87/88/1066198788.db2.gz DIUULPPQZBVNSZ-SANMLTNESA-N 1 0 450.623 4.513 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1nc(F)ccc1Br)Cc1ccccc1 ZINC001361013302 1066198838 /nfs/dbraw/zinc/19/88/38/1066198838.db2.gz HIYLLXYYKNUBJP-UHFFFAOYSA-N 1 0 456.359 4.758 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccoc3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001361020665 1066210529 /nfs/dbraw/zinc/21/05/29/1066210529.db2.gz CNUWFOYYLGQUSI-JOCHJYFZSA-N 1 0 451.615 4.825 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC001361021091 1066213082 /nfs/dbraw/zinc/21/30/82/1066213082.db2.gz QEPXTCOYFCTUQS-UHFFFAOYSA-N 1 0 497.709 4.716 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CC3CC(F)C3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001361022095 1066216304 /nfs/dbraw/zinc/21/63/04/1066216304.db2.gz GCUKRRMXHVUIFI-UVKLAMSESA-N 1 0 457.638 4.923 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361022268 1066216779 /nfs/dbraw/zinc/21/67/79/1066216779.db2.gz KYSPQZLJGOKVKS-BJKOFHAPSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001361022329 1066217367 /nfs/dbraw/zinc/21/73/67/1066217367.db2.gz NEAIHUPJAODSPN-XMMPIXPASA-N 1 0 481.685 4.502 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CCc3nccs3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001361022573 1066218783 /nfs/dbraw/zinc/21/87/83/1066218783.db2.gz VITLBPQTLWLRSU-UHFFFAOYSA-N 1 0 482.698 4.874 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361022567 1066218790 /nfs/dbraw/zinc/21/87/90/1066218790.db2.gz VHRMRYSGQUBTST-DSNGMDLFSA-N 1 0 483.701 4.705 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001361026425 1066226021 /nfs/dbraw/zinc/22/60/21/1066226021.db2.gz BMLKKLPTPBUIHI-UHFFFAOYSA-N 1 0 467.580 4.983 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001361028545 1066233209 /nfs/dbraw/zinc/23/32/09/1066233209.db2.gz KQIICMLLJGYVAS-ZLNRFVROSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361028687 1066233971 /nfs/dbraw/zinc/23/39/71/1066233971.db2.gz ONMAZIQLZBTWAZ-FBLLAGFSSA-N 1 0 469.674 4.598 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001361028822 1066234583 /nfs/dbraw/zinc/23/45/83/1066234583.db2.gz RZQYSZWXXYWMPR-SFTDATJTSA-N 1 0 457.688 4.679 20 0 JJADRO CCCN(C(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442869053 1066234731 /nfs/dbraw/zinc/23/47/31/1066234731.db2.gz JFQLKOOCVFMOFW-OFNKIYASSA-N 1 0 452.517 4.631 20 0 JJADRO Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015146 1066235311 /nfs/dbraw/zinc/23/53/11/1066235311.db2.gz QQXPLLPQVLSHJL-SQJMNOBHSA-N 1 0 453.627 4.801 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)O1 ZINC001546056716 1066235917 /nfs/dbraw/zinc/23/59/17/1066235917.db2.gz JBJLZLCNRYBWNQ-WIOPSUGQSA-N 1 0 459.704 4.835 20 0 JJADRO CCCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442879734 1066235902 /nfs/dbraw/zinc/23/59/02/1066235902.db2.gz QVUSEFYTBHEWGL-XZOQPEGZSA-N 1 0 457.659 4.783 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)O1 ZINC001546056714 1066236089 /nfs/dbraw/zinc/23/60/89/1066236089.db2.gz JBJLZLCNRYBWNQ-RCZVLFRGSA-N 1 0 459.704 4.835 20 0 JJADRO CC[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cc(C)on1)[NH+]1CCCC1 ZINC001545952594 1066237800 /nfs/dbraw/zinc/23/78/00/1066237800.db2.gz MPMKCNBMQPYULJ-NQIIRXRSSA-N 1 0 473.021 4.879 20 0 JJADRO CCOc1ccc([C@]2(C(=O)NC[C@@H](c3ccc(C)o3)[NH+]3CCCC3)CC2(Cl)Cl)cc1 ZINC001442891154 1066238016 /nfs/dbraw/zinc/23/80/16/1066238016.db2.gz XSISSGMPJSGDPW-UGKGYDQZSA-N 1 0 451.394 4.755 20 0 JJADRO Cc1c(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cnn1-c1cc(C)ccc1C ZINC001442908819 1066238881 /nfs/dbraw/zinc/23/88/81/1066238881.db2.gz STKDZISTQSHXDF-UHFFFAOYSA-N 1 0 459.594 4.864 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC=C(Br)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361031332 1066241436 /nfs/dbraw/zinc/24/14/36/1066241436.db2.gz ONRJJTHNPCBVGS-UHFFFAOYSA-N 1 0 476.463 4.551 20 0 JJADRO CC1CC[NH+](Cc2cccc(CNC(=O)CN(C(=O)c3ccccc3)c3ccccc3)c2)CC1 ZINC001442926894 1066241495 /nfs/dbraw/zinc/24/14/95/1066241495.db2.gz GXMIANMTNOELEC-UHFFFAOYSA-N 1 0 455.602 4.882 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 ZINC001442924640 1066241888 /nfs/dbraw/zinc/24/18/88/1066241888.db2.gz OPBJHUGOCYNYNI-FPNNDXFKSA-N 1 0 475.677 4.836 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC001361031519 1066242231 /nfs/dbraw/zinc/24/22/31/1066242231.db2.gz UEUNACABLDZCEY-XZOQPEGZSA-N 1 0 469.674 4.646 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[N@@H+](C(C)C)CC2)O1 ZINC001546057621 1066243577 /nfs/dbraw/zinc/24/35/77/1066243577.db2.gz VJTGTGVIGIPOMY-SHQCIBLASA-N 1 0 453.675 4.722 20 0 JJADRO Cc1nc(CN2CCC(C(=O)N3CC(C)(C)[N@H+](Cc4ccccc4)CC3(C)C)CC2)cs1 ZINC001454116368 1066246800 /nfs/dbraw/zinc/24/68/00/1066246800.db2.gz JIOKKRWREXSVTQ-UHFFFAOYSA-N 1 0 454.684 4.565 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001454113973 1066247006 /nfs/dbraw/zinc/24/70/06/1066247006.db2.gz CHSUTTAVZJJICJ-UHFFFAOYSA-N 1 0 457.659 4.925 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361032741 1066247121 /nfs/dbraw/zinc/24/71/21/1066247121.db2.gz UTRJEPMABQCHPA-JOCHJYFZSA-N 1 0 471.690 4.846 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001454122565 1066247840 /nfs/dbraw/zinc/24/78/40/1066247840.db2.gz WSPRNRWBTDSIRL-JOCHJYFZSA-N 1 0 454.014 4.595 20 0 JJADRO CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCCC[C@H]3[C@@H](C)C[NH+](C)C)c2)cc1 ZINC001454118458 1066247975 /nfs/dbraw/zinc/24/79/75/1066247975.db2.gz GMFQMOOAFVRKQM-IDISGSTGSA-N 1 0 450.623 4.980 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001454122568 1066248446 /nfs/dbraw/zinc/24/84/46/1066248446.db2.gz WSPRNRWBTDSIRL-QFIPXVFZSA-N 1 0 454.014 4.595 20 0 JJADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nc(Br)sc1Cl ZINC001454124715 1066248780 /nfs/dbraw/zinc/24/87/80/1066248780.db2.gz XJVFISVHVVQESJ-CQSZACIVSA-N 1 0 454.821 4.591 20 0 JJADRO CN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC001443010920 1066252632 /nfs/dbraw/zinc/25/26/32/1066252632.db2.gz KDCVVNAFMMTKEL-UHFFFAOYSA-N 1 0 456.562 4.922 20 0 JJADRO CC(C)(C)OC(=O)NCC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001443012586 1066253403 /nfs/dbraw/zinc/25/34/03/1066253403.db2.gz QLUSVZDJCBMTQL-LOSJGSFVSA-N 1 0 469.670 4.688 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CCC(C)(F)F)c1 ZINC001361035283 1066253817 /nfs/dbraw/zinc/25/38/17/1066253817.db2.gz BQDBNIGWFQYQIU-HXUWFJFHSA-N 1 0 461.601 4.830 20 0 JJADRO CSc1c(F)cccc1C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001443053360 1066259217 /nfs/dbraw/zinc/25/92/17/1066259217.db2.gz WPZUAZKZKSUNPU-UHFFFAOYSA-N 1 0 450.583 4.560 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001361039213 1066259826 /nfs/dbraw/zinc/25/98/26/1066259826.db2.gz AOBOJORSRSCEGV-QFIPXVFZSA-N 1 0 459.704 4.925 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CC[NH+]2CCCCCC2)c1 ZINC001361039802 1066262242 /nfs/dbraw/zinc/26/22/42/1066262242.db2.gz UWOJXWGVMFXWOM-VXKWHMMOSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1cccc(COc2ccc([C@H](C)NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)cc2)c1 ZINC001443093316 1066266046 /nfs/dbraw/zinc/26/60/46/1066266046.db2.gz AOWQAZCXRWQXQX-QHCPKHFHSA-N 1 0 457.618 4.812 20 0 JJADRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308022 1066267889 /nfs/dbraw/zinc/26/78/89/1066267889.db2.gz DKQZMYNPYDXOJO-VSGBNLITSA-N 1 0 459.609 4.726 20 0 JJADRO CCn1nc(C(F)(F)F)c(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C(F)F ZINC001443102072 1066268663 /nfs/dbraw/zinc/26/86/63/1066268663.db2.gz KYFTXYGZYWWFDQ-UHFFFAOYSA-N 1 0 458.475 4.844 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)CC1 ZINC001443102056 1066268933 /nfs/dbraw/zinc/26/89/33/1066268933.db2.gz KSUDYLXALJNXTA-UHFFFAOYSA-N 1 0 457.496 4.943 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(OC(F)F)cc(OC(F)F)c2)CC1 ZINC001443108981 1066270096 /nfs/dbraw/zinc/27/00/96/1066270096.db2.gz UKVUFMBDDLDXQU-UHFFFAOYSA-N 1 0 454.464 4.874 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001443109699 1066270175 /nfs/dbraw/zinc/27/01/75/1066270175.db2.gz VADZLDKLTNBUGT-WNCULLNHSA-N 1 0 457.659 4.831 20 0 JJADRO Cc1cc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361045534 1066270316 /nfs/dbraw/zinc/27/03/16/1066270316.db2.gz ALVSPFINECGEPI-VXKWHMMOSA-N 1 0 464.658 4.783 20 0 JJADRO Cc1cc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c2ccccc2n1 ZINC001361045689 1066270983 /nfs/dbraw/zinc/27/09/83/1066270983.db2.gz FVUPXDOFLVEDSI-LJQANCHMSA-N 1 0 490.574 4.547 20 0 JJADRO CC[C@@]1(C)CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[NH+](CC(C)C)CC2)O1 ZINC001546060042 1066271515 /nfs/dbraw/zinc/27/15/15/1066271515.db2.gz UQTIVUDEIRPQHN-RLWLMLJZSA-N 1 0 487.714 4.705 20 0 JJADRO COc1cccc(C[C@@H]2CN(C(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)CC[NH2+]2)c1 ZINC001454342428 1066272864 /nfs/dbraw/zinc/27/28/64/1066272864.db2.gz DYQCXVZFUZDQAK-HXUWFJFHSA-N 1 0 454.929 4.937 20 0 JJADRO CCOC(=O)c1cnc(C)c(C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)c1 ZINC001443149507 1066273552 /nfs/dbraw/zinc/27/35/52/1066273552.db2.gz FJBSBZSFCJNORH-UHFFFAOYSA-N 1 0 459.590 4.750 20 0 JJADRO Cc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC001361046094 1066274480 /nfs/dbraw/zinc/27/44/80/1066274480.db2.gz VFOZDIRGQIKMPD-WMZOPIPTSA-N 1 0 460.548 4.921 20 0 JJADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3C)CC2)c1 ZINC001443200329 1066278703 /nfs/dbraw/zinc/27/87/03/1066278703.db2.gz FGYHJEMBXLYGLU-UHFFFAOYSA-N 1 0 459.638 4.937 20 0 JJADRO Cc1cc(-c2nnc(N(C)CCCCCO)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC001361048798 1066278867 /nfs/dbraw/zinc/27/88/67/1066278867.db2.gz JPWDOCFEVGEHHB-NRFANRHFSA-N 1 0 478.685 4.911 20 0 JJADRO Cc1cc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361050319 1066285242 /nfs/dbraw/zinc/28/52/42/1066285242.db2.gz XNXPREHFVFHLBP-MHZLTWQESA-N 1 0 464.658 4.519 20 0 JJADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC001443260658 1066286628 /nfs/dbraw/zinc/28/66/28/1066286628.db2.gz FPLSSWSSCFUKNE-PXNSSMCTSA-N 1 0 457.416 4.528 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@H](C)C2)no1 ZINC001361053190 1066288411 /nfs/dbraw/zinc/28/84/11/1066288411.db2.gz BMPCIWHXMGPBOS-HKUYNNGSSA-N 1 0 473.021 4.736 20 0 JJADRO Cc1cccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001361053476 1066288807 /nfs/dbraw/zinc/28/88/07/1066288807.db2.gz JJFWPTXGQVGEJE-LBNVMWSVSA-N 1 0 483.701 4.632 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)c1cccc(C)c1)[NH+]1CCCC1 ZINC001545956766 1066291098 /nfs/dbraw/zinc/29/10/98/1066291098.db2.gz IVODGPXHBULIIP-IBGZPJMESA-N 1 0 471.447 4.997 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@@H+](C)C(C)C)no1 ZINC001361055425 1066293766 /nfs/dbraw/zinc/29/37/66/1066293766.db2.gz WRHIHSIVJRKVJM-UHFFFAOYSA-N 1 0 481.826 4.634 20 0 JJADRO Cc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361060155 1066299613 /nfs/dbraw/zinc/29/96/13/1066299613.db2.gz KQPQNCTZJNGSBI-VWNXMTODSA-N 1 0 496.700 4.822 20 0 JJADRO CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC001443357368 1066300311 /nfs/dbraw/zinc/30/03/11/1066300311.db2.gz NZJVBNNUHWIGIG-HSZRJFAPSA-N 1 0 456.030 4.538 20 0 JJADRO Cc1cc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)no1 ZINC001361066272 1066305726 /nfs/dbraw/zinc/30/57/26/1066305726.db2.gz FZEBFSWIPIKOHM-QGZVFWFLSA-N 1 0 475.062 4.889 20 0 JJADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443406967 1066306629 /nfs/dbraw/zinc/30/66/29/1066306629.db2.gz KRHXADXDRMDEDA-QGZVFWFLSA-N 1 0 453.936 4.618 20 0 JJADRO COc1cc(CNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCC[NH+](C)C ZINC001443407068 1066306915 /nfs/dbraw/zinc/30/69/15/1066306915.db2.gz JHLNHOFTIWDOLX-UHFFFAOYSA-N 1 0 456.627 4.866 20 0 JJADRO Cc1cc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC(C)C)cc(N2CCCC2)[nH+]1 ZINC001361067104 1066307983 /nfs/dbraw/zinc/30/79/83/1066307983.db2.gz FNNRMBFJJXWBJE-UHFFFAOYSA-N 1 0 475.641 4.591 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545958364 1066309017 /nfs/dbraw/zinc/30/90/17/1066309017.db2.gz BMOWFBZHMNXWRH-IOMROCGXSA-N 1 0 489.064 4.575 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001545958363 1066309170 /nfs/dbraw/zinc/30/91/70/1066309170.db2.gz BMOWFBZHMNXWRH-DUXKGJEZSA-N 1 0 489.064 4.575 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001546063739 1066309210 /nfs/dbraw/zinc/30/92/10/1066309210.db2.gz BLRRNLPSGYVQIP-DENIHFKCSA-N 1 0 464.427 4.813 20 0 JJADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2oc3ccccc3c2CSc2cccs2)CC1 ZINC001443430896 1066310231 /nfs/dbraw/zinc/31/02/31/1066310231.db2.gz PQOFBXQYNMLTHR-GOSISDBHSA-N 1 0 457.665 4.790 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC(C)C)C(C)C)[NH+]1CCCC1 ZINC001545958556 1066311533 /nfs/dbraw/zinc/31/15/33/1066311533.db2.gz GKEUKPIPYGREGP-SFHVURJKSA-N 1 0 451.457 4.781 20 0 JJADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc32)CC1 ZINC001443456397 1066314125 /nfs/dbraw/zinc/31/41/25/1066314125.db2.gz LNSSOBNKYSECPI-UHFFFAOYSA-N 1 0 459.590 4.524 20 0 JJADRO CN1CCN(c2cc[nH+]c(NC(=O)[C@@H](Sc3cc(F)ccc3F)c3ccccc3)c2)CC1 ZINC001454649894 1066314208 /nfs/dbraw/zinc/31/42/08/1066314208.db2.gz NSRYNFFSKFCEEF-QHCPKHFHSA-N 1 0 454.546 4.584 20 0 JJADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H](Sc2ccc(C)cc2C)c2ccccc2)CC1 ZINC001443460406 1066314804 /nfs/dbraw/zinc/31/48/04/1066314804.db2.gz PPGPPMGAYKWGFU-XMMPIXPASA-N 1 0 454.636 4.528 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@](C)(OC)C1)[NH+]1CCCC1 ZINC001545959453 1066315360 /nfs/dbraw/zinc/31/53/60/1066315360.db2.gz WGMIHGYALZPQFK-MBSDFSHPSA-N 1 0 494.453 4.726 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C2CCCCC2)CC1)OC ZINC001545959077 1066316314 /nfs/dbraw/zinc/31/63/14/1066316314.db2.gz PLHITXZVPCYVMC-IBGZPJMESA-N 1 0 494.453 4.726 20 0 JJADRO Cc1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC001361080239 1066319313 /nfs/dbraw/zinc/31/93/13/1066319313.db2.gz ARXUFEYSULZGPL-UHFFFAOYSA-N 1 0 455.647 4.983 20 0 JJADRO CC[C@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+]1CCCC1 ZINC001545959381 1066321206 /nfs/dbraw/zinc/32/12/06/1066321206.db2.gz VDJPHMWHGZLZRK-PZJWPPBQSA-N 1 0 485.673 4.718 20 0 JJADRO CC[NH+](CC)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001443517454 1066322328 /nfs/dbraw/zinc/32/23/28/1066322328.db2.gz KRUFKOXLSNMYEI-AVRDEDQJSA-N 1 0 452.014 4.500 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545959578 1066322945 /nfs/dbraw/zinc/32/29/45/1066322945.db2.gz YSJGCLJZPWLDCS-SFTDATJTSA-N 1 0 485.673 4.718 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)[C@@H](C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001361087221 1066325489 /nfs/dbraw/zinc/32/54/89/1066325489.db2.gz CGEDHCSDAZQUCS-SLFFLAALSA-N 1 0 460.066 4.826 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001361087223 1066325563 /nfs/dbraw/zinc/32/55/63/1066325563.db2.gz CGEDHCSDAZQUCS-ZCNNSNEGSA-N 1 0 460.066 4.826 20 0 JJADRO O=C(N[C@@H](CO)c1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001454731850 1066327935 /nfs/dbraw/zinc/32/79/35/1066327935.db2.gz QJJGNLSXBKHFGC-VSKRKVRLSA-N 1 0 474.548 4.832 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)cc1)C(C)C ZINC001454739363 1066329337 /nfs/dbraw/zinc/32/93/37/1066329337.db2.gz KLPMPBBEIOJSQY-NRFANRHFSA-N 1 0 453.410 4.736 20 0 JJADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001443576543 1066330411 /nfs/dbraw/zinc/33/04/11/1066330411.db2.gz DCUFRSMBWBSMHZ-UHFFFAOYSA-N 1 0 459.005 4.847 20 0 JJADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc(Br)cnc3Br)c2C1 ZINC001546065123 1066331112 /nfs/dbraw/zinc/33/11/12/1066331112.db2.gz FJJCDMMYRXEMBQ-UHFFFAOYSA-N 1 0 453.178 4.831 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC=CCC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001361088535 1066331533 /nfs/dbraw/zinc/33/15/33/1066331533.db2.gz IYUUJUWHGFVCQK-FQEVSTJZSA-N 1 0 458.050 4.750 20 0 JJADRO CC(C)(C)C(=O)NCc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC001443579485 1066331765 /nfs/dbraw/zinc/33/17/65/1066331765.db2.gz MVGUDBVNMMXHDZ-UHFFFAOYSA-N 1 0 456.030 4.644 20 0 JJADRO O=C(Cc1ccc(Br)cc1F)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001443581495 1066331844 /nfs/dbraw/zinc/33/18/44/1066331844.db2.gz RXXAOUQFGBWEIR-UHFFFAOYSA-N 1 0 453.783 4.813 20 0 JJADRO CC(C)(C)OC(=O)/C=C\c1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)co1 ZINC001443583534 1066332318 /nfs/dbraw/zinc/33/23/18/1066332318.db2.gz WPWAWHXHPKUDRL-HJWRWDBZSA-N 1 0 458.986 4.930 20 0 JJADRO Cn1nc(C(F)F)c2cc(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)sc21 ZINC001443582554 1066332570 /nfs/dbraw/zinc/33/25/70/1066332570.db2.gz UKIYIOGPDJHCFD-UHFFFAOYSA-N 1 0 452.958 4.868 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001546066058 1066338550 /nfs/dbraw/zinc/33/85/50/1066338550.db2.gz GCHJRQDCVIEDJQ-HSZRJFAPSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC(C)(C)C2)n1CCC[NH+]1CCCCC1 ZINC001361090421 1066339015 /nfs/dbraw/zinc/33/90/15/1066339015.db2.gz DAEPWWNMIRMRPP-UHFFFAOYSA-N 1 0 490.092 4.743 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001546066095 1066339400 /nfs/dbraw/zinc/33/94/00/1066339400.db2.gz GTOABWWCIJIQQM-SIBVEZHUSA-N 1 0 455.647 4.850 20 0 JJADRO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443630114 1066340212 /nfs/dbraw/zinc/34/02/12/1066340212.db2.gz FGOXFBDKBNPGQR-OAQYLSRUSA-N 1 0 458.046 4.868 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CC=CCO1 ZINC001361091071 1066340322 /nfs/dbraw/zinc/34/03/22/1066340322.db2.gz MJPXXFSWAIXVPA-JOCHJYFZSA-N 1 0 488.076 4.517 20 0 JJADRO CCCOc1ccccc1C(=O)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001454896994 1066340368 /nfs/dbraw/zinc/34/03/68/1066340368.db2.gz WRBKVQLIAAOPJD-DHIUTWEWSA-N 1 0 462.615 4.752 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001546066557 1066341265 /nfs/dbraw/zinc/34/12/65/1066341265.db2.gz QPRZZJZONMDXCI-UXHICEINSA-N 1 0 484.533 4.833 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1=CCCOC1 ZINC001361091627 1066341462 /nfs/dbraw/zinc/34/14/62/1066341462.db2.gz RPJFVPBLFOFJFB-UHFFFAOYSA-N 1 0 488.076 4.519 20 0 JJADRO COc1ccc(-c2nc(CC(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)cs2)cc1OC ZINC001443638832 1066342982 /nfs/dbraw/zinc/34/29/82/1066342982.db2.gz BJGMIUMEJOHFPZ-UHFFFAOYSA-N 1 0 453.608 4.526 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC(F)C1)[NH+]1CCCC1 ZINC001545960806 1066343339 /nfs/dbraw/zinc/34/33/39/1066343339.db2.gz KBUFTUJEZPFAOK-UYSNPLJNSA-N 1 0 470.456 4.828 20 0 JJADRO Cc1cc(F)ccc1CCn1c(Cc2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001361094766 1066345030 /nfs/dbraw/zinc/34/50/30/1066345030.db2.gz JQQBWOCZWQYDBJ-UHFFFAOYSA-N 1 0 464.633 4.512 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001546066963 1066347781 /nfs/dbraw/zinc/34/77/81/1066347781.db2.gz YPXVEEOCZFQVTA-RXFWQSSRSA-N 1 0 455.647 4.711 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005931 1066351578 /nfs/dbraw/zinc/35/15/78/1066351578.db2.gz ABGRPQPZRANWBX-MAUKXSAKSA-N 1 0 451.792 4.569 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005937 1066352004 /nfs/dbraw/zinc/35/20/04/1066352004.db2.gz ABGRPQPZRANWBX-YJBOKZPZSA-N 1 0 451.792 4.569 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012590 1066353490 /nfs/dbraw/zinc/35/34/90/1066353490.db2.gz PVHASTWWMYLSJM-FGCOXFRFSA-N 1 0 451.611 4.588 20 0 JJADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(Br)cc(Br)c3)C2)cc1 ZINC001455015520 1066353633 /nfs/dbraw/zinc/35/36/33/1066353633.db2.gz VWYXTJYBVNTDBO-GOSISDBHSA-N 1 0 452.190 4.524 20 0 JJADRO CC1(C)CN([C@@H](CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)c2ccc(Cl)cc2)CCO1 ZINC001443703959 1066353736 /nfs/dbraw/zinc/35/37/36/1066353736.db2.gz MWAFXIWBNIRTTO-QFIPXVFZSA-N 1 0 455.002 4.526 20 0 JJADRO O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001443714057 1066355922 /nfs/dbraw/zinc/35/59/22/1066355922.db2.gz BPQFKYOLPIUALS-NRFANRHFSA-N 1 0 454.014 4.859 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546068137 1066356899 /nfs/dbraw/zinc/35/68/99/1066356899.db2.gz ITIUARQSBMAGQQ-URXFXBBRSA-N 1 0 490.490 4.691 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCCSC)[NH+]1CCCC1 ZINC001545961530 1066360922 /nfs/dbraw/zinc/36/09/22/1066360922.db2.gz XOJUCGICSCNDFD-LJQANCHMSA-N 1 0 466.493 4.771 20 0 JJADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC001443765449 1066363761 /nfs/dbraw/zinc/36/37/61/1066363761.db2.gz USVQYNRSFVVHGO-IBGZPJMESA-N 1 0 458.400 4.696 20 0 JJADRO O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001455117979 1066363759 /nfs/dbraw/zinc/36/37/59/1066363759.db2.gz BNPCOXFHVKRRNA-RUZDIDTESA-N 1 0 459.055 4.922 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001361112846 1066364120 /nfs/dbraw/zinc/36/41/20/1066364120.db2.gz ADWNXZLNCBQXNQ-JOCHJYFZSA-N 1 0 482.698 4.578 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)Oc1cccc(F)c1 ZINC001545962367 1066367978 /nfs/dbraw/zinc/36/79/78/1066367978.db2.gz BIQNLEAADXVTHR-BBTUJRGHSA-N 1 0 455.578 4.762 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccon3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361123552 1066373779 /nfs/dbraw/zinc/37/37/79/1066373779.db2.gz FCQUKWVWSSFNJU-NRFANRHFSA-N 1 0 466.630 4.645 20 0 JJADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1SCc1ccco1 ZINC001455233148 1066374045 /nfs/dbraw/zinc/37/40/45/1066374045.db2.gz AQPXQQGCKXFZCA-UHFFFAOYSA-N 1 0 450.604 4.719 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C3CCC3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361124074 1066376992 /nfs/dbraw/zinc/37/69/92/1066376992.db2.gz WBRSNDWGPVDXLD-RUZDIDTESA-N 1 0 457.688 4.715 20 0 JJADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001443860804 1066377603 /nfs/dbraw/zinc/37/76/03/1066377603.db2.gz LAGKHCPCCDLKNQ-UHFFFAOYSA-N 1 0 451.954 4.932 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001546070981 1066379904 /nfs/dbraw/zinc/37/99/04/1066379904.db2.gz UEGWDEBEDPVFJV-ZEQKJWHPSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(c4ccnn4C)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001361125864 1066380124 /nfs/dbraw/zinc/38/01/24/1066380124.db2.gz GCHLUCVKBHNCIA-UHFFFAOYSA-N 1 0 493.700 4.747 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001361125915 1066380758 /nfs/dbraw/zinc/38/07/58/1066380758.db2.gz HHDIWYPWJYQCKM-HJOGWXRNSA-N 1 0 483.701 4.618 20 0 JJADRO O=C(/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001455312953 1066382907 /nfs/dbraw/zinc/38/29/07/1066382907.db2.gz YYNDHPFPQWITNH-YMLINEMLSA-N 1 0 456.533 4.588 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361126371 1066384140 /nfs/dbraw/zinc/38/41/40/1066384140.db2.gz QVAGSQTYVJLCOK-HJOGWXRNSA-N 1 0 483.701 4.738 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CO)CC3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001361127279 1066387233 /nfs/dbraw/zinc/38/72/33/1066387233.db2.gz GSGISPCEUNLJAP-UHFFFAOYSA-N 1 0 483.701 4.762 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](COC)C1)[NH+]1CCCC1 ZINC001545963443 1066388593 /nfs/dbraw/zinc/38/85/93/1066388593.db2.gz WNPBVDWWDAPDRS-PZJWPPBQSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC2(O)CCC2)c1 ZINC001361127710 1066389404 /nfs/dbraw/zinc/38/94/04/1066389404.db2.gz NQWNMRJHFMXBFF-UHFFFAOYSA-N 1 0 469.674 4.561 20 0 JJADRO C[C@H]([NH2+]C1(CNC(=O)Cc2noc3ccc(Br)cc23)CCCC1)c1ccccc1 ZINC001444086922 1066403210 /nfs/dbraw/zinc/40/32/10/1066403210.db2.gz JMBLLWSMNWKHQX-INIZCTEOSA-N 1 0 456.384 4.913 20 0 JJADRO C[C@@H]([NH2+]C1(CNC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CCCC1)c1ccccc1 ZINC001444088601 1066403894 /nfs/dbraw/zinc/40/38/94/1066403894.db2.gz LKSIRWQFDQYVIZ-QGZVFWFLSA-N 1 0 457.500 4.680 20 0 JJADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001444092026 1066404879 /nfs/dbraw/zinc/40/48/79/1066404879.db2.gz QQOXFHZTYDUMNX-QPPBQGQZSA-N 1 0 451.611 4.717 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](OCC(C)C)C1)[NH+]1CCCC1 ZINC001545964384 1066405584 /nfs/dbraw/zinc/40/55/84/1066405584.db2.gz CSRCTVJIYOECDS-VQTJNVASSA-N 1 0 464.029 4.863 20 0 JJADRO CCCc1sc(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1CC ZINC001455535691 1066406562 /nfs/dbraw/zinc/40/65/62/1066406562.db2.gz JIDORUCBZIGWPA-UHFFFAOYSA-N 1 0 451.677 4.716 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC001455557641 1066409480 /nfs/dbraw/zinc/40/94/80/1066409480.db2.gz CUERKPPNEYFCLS-HBMCJLEFSA-N 1 0 468.560 4.915 20 0 JJADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccccc2)cn1 ZINC001444127367 1066410289 /nfs/dbraw/zinc/41/02/89/1066410289.db2.gz DBNTYWXPVOXPAN-NRFANRHFSA-N 1 0 455.480 4.684 20 0 JJADRO CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001455580685 1066412422 /nfs/dbraw/zinc/41/24/22/1066412422.db2.gz FIJVSKYBHTZUTK-IERDGZPVSA-N 1 0 457.785 4.853 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361139595 1066415822 /nfs/dbraw/zinc/41/58/22/1066415822.db2.gz MLZZUASDDWYEGP-VPYPWEPUSA-N 1 0 496.700 4.581 20 0 JJADRO Cc1ccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC001361139737 1066415890 /nfs/dbraw/zinc/41/58/90/1066415890.db2.gz OMOKDUNQRQZMJT-SFTDATJTSA-N 1 0 465.564 4.706 20 0 JJADRO Cc1ccc([C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC001361139735 1066415901 /nfs/dbraw/zinc/41/59/01/1066415901.db2.gz OMOKDUNQRQZMJT-NHCUHLMSSA-N 1 0 465.564 4.706 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccccn3)nnc2N(C)CCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC001361139619 1066415925 /nfs/dbraw/zinc/41/59/25/1066415925.db2.gz MVEJMRCVAUXWIF-OAQYLSRUSA-N 1 0 458.532 4.874 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3cccn3C)nnc2N2CCC(OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC001361139770 1066416243 /nfs/dbraw/zinc/41/62/43/1066416243.db2.gz PBWULSWUGZXPCS-DEOSSOPVSA-N 1 0 464.658 4.679 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)o1 ZINC001361139947 1066416583 /nfs/dbraw/zinc/41/65/83/1066416583.db2.gz RZVKSEKKCVDYMY-WIYYLYMNSA-N 1 0 490.574 4.531 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@@H](C)C2)[NH+](C)C)cc1 ZINC001361140057 1066417127 /nfs/dbraw/zinc/41/71/27/1066417127.db2.gz UOPBWQORVRQQHK-PXNSSMCTSA-N 1 0 457.047 4.547 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361140341 1066417239 /nfs/dbraw/zinc/41/72/39/1066417239.db2.gz YZWYWQCFDBVAFK-FGZHOGPDSA-N 1 0 483.060 4.856 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cc(Cl)ccn2)[NH+](C)C)cc1 ZINC001361140349 1066418126 /nfs/dbraw/zinc/41/81/26/1066418126.db2.gz ZDCOVCXJZVGWRT-XMMPIXPASA-N 1 0 476.028 4.945 20 0 JJADRO Cc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N(C)CCOC(C)(C)C)[NH+]2CCCC2)cc1 ZINC001361140653 1066418628 /nfs/dbraw/zinc/41/86/28/1066418628.db2.gz FEBULZTYUWRSGX-RUZDIDTESA-N 1 0 476.669 4.661 20 0 JJADRO Cc1ccc([C@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(Cl)ccn2)[NH+](C)C)cc1 ZINC001361140918 1066419510 /nfs/dbraw/zinc/41/95/10/1066419510.db2.gz ITNGXYLEHVDTKO-DEOSSOPVSA-N 1 0 476.028 4.560 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@@H](C)CC[C@@H]3C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC001361141287 1066420041 /nfs/dbraw/zinc/42/00/41/1066420041.db2.gz MBPBIDWKLCDLJJ-YDHSSHFGSA-N 1 0 452.672 4.870 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCCC1 ZINC001545965253 1066420314 /nfs/dbraw/zinc/42/03/14/1066420314.db2.gz TXYYACSCYSZJBF-SCTDSRPQSA-N 1 0 464.079 4.812 20 0 JJADRO Cc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N(C)CCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC001361141291 1066420856 /nfs/dbraw/zinc/42/08/56/1066420856.db2.gz MBVAKZJXMTYZNW-VQTJNVASSA-N 1 0 451.537 4.664 20 0 JJADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC001444158070 1066420869 /nfs/dbraw/zinc/42/08/69/1066420869.db2.gz ITOQHHLLQCRKGY-QFIPXVFZSA-N 1 0 457.640 4.904 20 0 JJADRO Cc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC001361142461 1066424250 /nfs/dbraw/zinc/42/42/50/1066424250.db2.gz ZRBCJOKWSVBQAL-UNMCSNQZSA-N 1 0 472.559 4.654 20 0 JJADRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccc(CNC(=O)c4ccc(C(F)(F)F)cc4)cc3)C[N@@H+]2C1 ZINC001444176514 1066425423 /nfs/dbraw/zinc/42/54/23/1066425423.db2.gz PIJWPGUGQCACKK-PERKRYKHSA-N 1 0 459.512 4.694 20 0 JJADRO O=C(N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1)c1ccc(SC(F)(F)F)o1 ZINC001455716401 1066426195 /nfs/dbraw/zinc/42/61/95/1066426195.db2.gz JUCXTGQOCOEDMI-QGZVFWFLSA-N 1 0 454.514 4.835 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)C1 ZINC001444178387 1066426345 /nfs/dbraw/zinc/42/63/45/1066426345.db2.gz VKZIMHRHVMWTRK-ISKFKSNPSA-N 1 0 455.643 4.586 20 0 JJADRO CC(C)(C)c1ncc(/C=C\C(=O)N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC001455716989 1066426878 /nfs/dbraw/zinc/42/68/78/1066426878.db2.gz LTNDHMHBKZEMRF-YUQDSPFASA-N 1 0 453.652 4.784 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001361145691 1066429581 /nfs/dbraw/zinc/42/95/81/1066429581.db2.gz GJZAJVDFUZVHDD-JOCHJYFZSA-N 1 0 482.698 4.996 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001361145692 1066429611 /nfs/dbraw/zinc/42/96/11/1066429611.db2.gz GJZAJVDFUZVHDD-QFIPXVFZSA-N 1 0 482.698 4.996 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001444212506 1066430028 /nfs/dbraw/zinc/43/00/28/1066430028.db2.gz UQBFZBFMHKNGIN-QFIPXVFZSA-N 1 0 450.970 4.754 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361145881 1066430242 /nfs/dbraw/zinc/43/02/42/1066430242.db2.gz LUIDVZYFNGLPTD-UHFFFAOYSA-N 1 0 453.553 4.594 20 0 JJADRO Cc1c(CN(C)c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)cnn1C ZINC001361145834 1066430286 /nfs/dbraw/zinc/43/02/86/1066430286.db2.gz KULBPTSCNITCEQ-VWLOTQADSA-N 1 0 493.700 4.663 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001545966233 1066431776 /nfs/dbraw/zinc/43/17/76/1066431776.db2.gz AMNGEFWIZYXKNJ-ZDXQCDESSA-N 1 0 469.674 4.858 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCC1 ZINC001545966231 1066431789 /nfs/dbraw/zinc/43/17/89/1066431789.db2.gz AMNGEFWIZYXKNJ-CQOQZXRMSA-N 1 0 469.674 4.858 20 0 JJADRO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@]2(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001455811656 1066435903 /nfs/dbraw/zinc/43/59/03/1066435903.db2.gz QCBDJDLDCHCVQF-HHHXNRCGSA-N 1 0 452.595 4.894 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001361149354 1066439530 /nfs/dbraw/zinc/43/95/30/1066439530.db2.gz SAPMXDXBRQMIFG-QHCPKHFHSA-N 1 0 499.700 4.574 20 0 JJADRO CCOC(=O)[C@@H](C[C@@H](C)CC)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001455828119 1066439652 /nfs/dbraw/zinc/43/96/52/1066439652.db2.gz MWRNRLJYRAHYDA-JSKMBAMBSA-N 1 0 450.623 4.695 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC001444292812 1066444019 /nfs/dbraw/zinc/44/40/19/1066444019.db2.gz HGUGYANGLPIGHF-GHTZIAJQSA-N 1 0 453.583 4.864 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC001444292854 1066444850 /nfs/dbraw/zinc/44/48/50/1066444850.db2.gz HGUGYANGLPIGHF-WIYYLYMNSA-N 1 0 453.583 4.864 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001444300355 1066445352 /nfs/dbraw/zinc/44/53/52/1066445352.db2.gz QIASISMJRTXHSX-MZYLBHOOSA-N 1 0 455.643 4.678 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001361152716 1066447117 /nfs/dbraw/zinc/44/71/17/1066447117.db2.gz PYTLTBFGVUFKEV-SFHVURJKSA-N 1 0 453.553 4.593 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001361154732 1066451759 /nfs/dbraw/zinc/45/17/59/1066451759.db2.gz FPVDTTBINDRHJE-DEOSSOPVSA-N 1 0 483.701 4.990 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(NCCc4ccccn4)cc3)cc2)CC1 ZINC001444355069 1066453860 /nfs/dbraw/zinc/45/38/60/1066453860.db2.gz UCKMKJDTVYTSQU-UHFFFAOYSA-N 1 0 457.622 4.767 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)/C=C\c3ccc(C(=O)OC(C)(C)C)o3)cc2)CC1 ZINC001444358861 1066454434 /nfs/dbraw/zinc/45/44/34/1066454434.db2.gz ZDAWCSITOSGDKZ-QBFSEMIESA-N 1 0 453.583 4.665 20 0 JJADRO C[NH+]1CCN(C[C@@H](NC(=O)CC(Cc2ccccc2)Cc2ccccc2)c2ccccc2)CC1 ZINC001455934353 1066454494 /nfs/dbraw/zinc/45/44/94/1066454494.db2.gz RVZDQDQRSOCYSV-GDLZYMKVSA-N 1 0 455.646 4.583 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(OC(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361155461 1066455193 /nfs/dbraw/zinc/45/51/93/1066455193.db2.gz UNFNPRDQLXONQU-UHFFFAOYSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCSC(F)(F)F)c1 ZINC001361156098 1066457633 /nfs/dbraw/zinc/45/76/33/1066457633.db2.gz NHQXCZOBGHHHIC-IBGZPJMESA-N 1 0 483.604 4.792 20 0 JJADRO C[C@H](NC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)[C@H]1C[N@H+](C)CCN1C ZINC001444401638 1066458250 /nfs/dbraw/zinc/45/82/50/1066458250.db2.gz DIPMSLRSKNSSMW-DLVCFXQMSA-N 1 0 452.451 4.577 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[NH+]2CCCCC2)c1 ZINC001361156385 1066458867 /nfs/dbraw/zinc/45/88/67/1066458867.db2.gz UDTKJXXRLXFOSQ-QHCPKHFHSA-N 1 0 469.674 4.744 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC2CCOCC2)c1 ZINC001361158950 1066462522 /nfs/dbraw/zinc/46/25/22/1066462522.db2.gz JXLZZKQDIAALMY-UHFFFAOYSA-N 1 0 469.674 4.601 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSC[C@@H]1C)[NH+]1CCCC1 ZINC001545967347 1066464060 /nfs/dbraw/zinc/46/40/60/1066464060.db2.gz VZQGCWNDGZJFLQ-FUHWJXTLSA-N 1 0 494.503 4.532 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361163389 1066472614 /nfs/dbraw/zinc/47/26/14/1066472614.db2.gz XOLXRYRXCWYASI-NOZRDPDXSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361164048 1066474012 /nfs/dbraw/zinc/47/40/12/1066474012.db2.gz UFILFCMVLJRUDT-UNMCSNQZSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361164047 1066474054 /nfs/dbraw/zinc/47/40/54/1066474054.db2.gz UFILFCMVLJRUDT-RBBKRZOGSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)CC2)cc1 ZINC001361165046 1066476499 /nfs/dbraw/zinc/47/64/99/1066476499.db2.gz CQTQKRWSNKLCIN-QHCPKHFHSA-N 1 0 467.702 4.943 20 0 JJADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1cc(OCc2ccccc2)cs1 ZINC001444564540 1066477237 /nfs/dbraw/zinc/47/72/37/1066477237.db2.gz UCGYPVOZFPMYAZ-UHFFFAOYSA-N 1 0 454.567 4.739 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](C)[NH+](C)C)CC2)cc1 ZINC001361166247 1066477657 /nfs/dbraw/zinc/47/76/57/1066477657.db2.gz RFODEPYXNDNYFT-IBGZPJMESA-N 1 0 453.034 4.810 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C[C@H]1C ZINC001444622556 1066485232 /nfs/dbraw/zinc/48/52/32/1066485232.db2.gz XXYJGNVZPAIDPQ-IIBYNOLFSA-N 1 0 458.400 4.646 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC001361171174 1066486356 /nfs/dbraw/zinc/48/63/56/1066486356.db2.gz SDENLEKKYXZYSK-QUCCMNQESA-N 1 0 473.568 4.559 20 0 JJADRO Cc1onc(-c2cccc(F)c2)c1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001444644863 1066487284 /nfs/dbraw/zinc/48/72/84/1066487284.db2.gz ASOHVVUXMAHIPV-UHFFFAOYSA-N 1 0 457.933 4.716 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001545968317 1066487510 /nfs/dbraw/zinc/48/75/10/1066487510.db2.gz CDRYIKRFKCJXCG-SFHVURJKSA-N 1 0 490.490 4.976 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C3(c4ccccc4Cl)CCC3)CC2)c1C ZINC001456039001 1066487862 /nfs/dbraw/zinc/48/78/62/1066487862.db2.gz PVQOEVZUWHRMAQ-UHFFFAOYSA-N 1 0 456.030 4.905 20 0 JJADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cc2sccc2nc1Cl ZINC001444650286 1066488891 /nfs/dbraw/zinc/48/88/91/1066488891.db2.gz OINKXFOOZIJRJO-UHFFFAOYSA-N 1 0 450.391 4.876 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)CC2)c1C ZINC001456041788 1066488894 /nfs/dbraw/zinc/48/88/94/1066488894.db2.gz WYSRFPKCQIEQOI-DNVKUUNQSA-N 1 0 459.675 4.607 20 0 JJADRO O=C(Cc1ccccc1OC1CCCC1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001444653646 1066488981 /nfs/dbraw/zinc/48/89/81/1066488981.db2.gz UYYLHJBIDIRIFT-UHFFFAOYSA-N 1 0 457.014 4.864 20 0 JJADRO COC(=O)C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660394 1066489561 /nfs/dbraw/zinc/48/95/61/1066489561.db2.gz DXVPDAGYRACGQO-URXFXBBRSA-N 1 0 454.586 4.756 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2CC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC001361175076 1066491657 /nfs/dbraw/zinc/49/16/57/1066491657.db2.gz BKOAXPNBKXJVMA-QGZVFWFLSA-N 1 0 468.602 4.814 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC2([NH+](C)C)CCCC2)cc1Br ZINC001361174801 1066491694 /nfs/dbraw/zinc/49/16/94/1066491694.db2.gz XCRJGWSQMJREIJ-SFHVURJKSA-N 1 0 478.504 4.832 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC001361175435 1066492736 /nfs/dbraw/zinc/49/27/36/1066492736.db2.gz NCKWSLIEPDTADY-AWEZNQCLSA-N 1 0 474.369 4.746 20 0 JJADRO COC(=O)C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444692828 1066493730 /nfs/dbraw/zinc/49/37/30/1066493730.db2.gz XJOHLXKIRQQWPR-UKILVPOCSA-N 1 0 450.623 4.659 20 0 JJADRO COc1ccc(-c2nc(C)sc2CC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC001456052489 1066493768 /nfs/dbraw/zinc/49/37/68/1066493768.db2.gz DQHOOGXVCFYMGT-UHFFFAOYSA-N 1 0 459.562 4.538 20 0 JJADRO CCCOc1nc2ccccc2cc1/C=C/C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001456053468 1066494438 /nfs/dbraw/zinc/49/44/38/1066494438.db2.gz GKQWVCJEDQSCRL-ZRDIBKRKSA-N 1 0 453.533 4.905 20 0 JJADRO Cc1ccc(Br)nc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001361176832 1066495251 /nfs/dbraw/zinc/49/52/51/1066495251.db2.gz XDPOUSRQJWLANR-UHFFFAOYSA-N 1 0 459.388 4.609 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@H+]1CCC[C@@H]1C ZINC001361177712 1066497086 /nfs/dbraw/zinc/49/70/86/1066497086.db2.gz NSEFFRKUDKHBCW-INIZCTEOSA-N 1 0 489.487 4.902 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001456058369 1066497421 /nfs/dbraw/zinc/49/74/21/1066497421.db2.gz PWAZOIVKSAVGPN-FQEVSTJZSA-N 1 0 454.439 4.705 20 0 JJADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC001456060358 1066498546 /nfs/dbraw/zinc/49/85/46/1066498546.db2.gz VMCNARVDBSAKLC-AWEZNQCLSA-N 1 0 457.771 4.599 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)o1 ZINC001361178545 1066498930 /nfs/dbraw/zinc/49/89/30/1066498930.db2.gz NTLXSAWMTBZJAB-UHFFFAOYSA-N 1 0 491.558 4.737 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361178743 1066499543 /nfs/dbraw/zinc/49/95/43/1066499543.db2.gz RFCBGZXEBWEDHD-KDURUIRLSA-N 1 0 458.006 4.636 20 0 JJADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001444737747 1066499627 /nfs/dbraw/zinc/49/96/27/1066499627.db2.gz AXPDMALXAHAJPM-UHFFFAOYSA-N 1 0 456.011 4.659 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC001361179003 1066499977 /nfs/dbraw/zinc/49/99/77/1066499977.db2.gz WWFOLBMOWNRAGS-KRWDZBQOSA-N 1 0 464.035 4.699 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361181310 1066502876 /nfs/dbraw/zinc/50/28/76/1066502876.db2.gz IZUWTYIZFWVTND-SFHVURJKSA-N 1 0 450.612 4.850 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361181747 1066504244 /nfs/dbraw/zinc/50/42/44/1066504244.db2.gz VQFINCZFMCZCHF-KRWDZBQOSA-N 1 0 450.612 4.768 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC3CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361183336 1066505448 /nfs/dbraw/zinc/50/54/48/1066505448.db2.gz JSURIWKKWXJNPK-NRFANRHFSA-N 1 0 460.464 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361183466 1066506036 /nfs/dbraw/zinc/50/60/36/1066506036.db2.gz LBBNXPNUNUSQGZ-UHFFFAOYSA-N 1 0 464.427 4.685 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC001361184253 1066506949 /nfs/dbraw/zinc/50/69/49/1066506949.db2.gz DDQRKKSMYNZQIG-HXUWFJFHSA-N 1 0 492.506 4.999 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)o1 ZINC001361184553 1066507788 /nfs/dbraw/zinc/50/77/88/1066507788.db2.gz NFBDTBROPYXBLN-NHCUHLMSSA-N 1 0 451.615 4.839 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2CCCCC[NH+]2CCCC2)cc1Br ZINC001361184607 1066508244 /nfs/dbraw/zinc/50/82/44/1066508244.db2.gz OEQPUCZXEDPNHI-HXUWFJFHSA-N 1 0 490.490 4.755 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccoc1)[NH+]1CCCC1 ZINC001545969513 1066508213 /nfs/dbraw/zinc/50/82/13/1066508213.db2.gz ZDAIYECTGSBWDY-SFHVURJKSA-N 1 0 458.404 4.811 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCCCc3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)o1 ZINC001361187005 1066510976 /nfs/dbraw/zinc/51/09/76/1066510976.db2.gz BAPYTXQMHIFTSU-RUZDIDTESA-N 1 0 453.656 4.743 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCc3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)o1 ZINC001361187187 1066511035 /nfs/dbraw/zinc/51/10/35/1066511035.db2.gz IGWSUTVKMSVPTI-UHFFFAOYSA-N 1 0 460.420 4.628 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079624 1066513180 /nfs/dbraw/zinc/51/31/80/1066513180.db2.gz QJHUBHJSGHSXPQ-UNVFRBQDSA-N 1 0 473.637 4.510 20 0 JJADRO O=C(c1c(Cl)nc2ccccn21)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868954 1066514628 /nfs/dbraw/zinc/51/46/28/1066514628.db2.gz UHFONFPBBXSRTG-QGZVFWFLSA-N 1 0 450.892 4.514 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361188781 1066514699 /nfs/dbraw/zinc/51/46/99/1066514699.db2.gz YJDPJWTUDNVLTH-SFTDATJTSA-N 1 0 450.631 4.540 20 0 JJADRO Nc1c(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cccc1C(F)(F)F ZINC001444871262 1066515241 /nfs/dbraw/zinc/51/52/41/1066515241.db2.gz YFZQQCFRQOCLAF-INIZCTEOSA-N 1 0 459.434 4.814 20 0 JJADRO Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H](c2ccco2)[NH+](C)C)o1 ZINC001361191204 1066517191 /nfs/dbraw/zinc/51/71/91/1066517191.db2.gz KEFHFBYUCXQSFC-KRWDZBQOSA-N 1 0 451.493 4.911 20 0 JJADRO C[C@H]1CCN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001444902961 1066517361 /nfs/dbraw/zinc/51/73/61/1066517361.db2.gz GYGCNQWHBKAZEN-JEYPMZLKSA-N 1 0 455.643 4.679 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(NCc2ccsc2)cc1 ZINC001444910435 1066517714 /nfs/dbraw/zinc/51/77/14/1066517714.db2.gz UPMLBXVEEMLGCA-UHFFFAOYSA-N 1 0 450.608 4.763 20 0 JJADRO Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001361194842 1066521447 /nfs/dbraw/zinc/52/14/47/1066521447.db2.gz XUSKSMHYAXUWRZ-SFHVURJKSA-N 1 0 490.490 4.894 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](c4ccccc4)O[C@@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361195561 1066522135 /nfs/dbraw/zinc/52/21/35/1066522135.db2.gz CWWXHKPZWMXUED-FJIJXJHWSA-N 1 0 451.615 4.789 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001361195717 1066523006 /nfs/dbraw/zinc/52/30/06/1066523006.db2.gz FENDEKVFDDJVDP-QKYXUNIQSA-N 1 0 497.949 4.959 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545971091 1066524544 /nfs/dbraw/zinc/52/45/44/1066524544.db2.gz RLKSWEUCSWBNES-LJQANCHMSA-N 1 0 489.064 4.530 20 0 JJADRO COC(=O)CCc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001456152707 1066524584 /nfs/dbraw/zinc/52/45/84/1066524584.db2.gz WVFQXSANSVZRKO-GGXMVOPNSA-N 1 0 456.586 4.821 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC001361198015 1066526230 /nfs/dbraw/zinc/52/62/30/1066526230.db2.gz FNMJBLYTBMACEB-UGKGYDQZSA-N 1 0 498.697 4.588 20 0 JJADRO Cn1c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ccc1-c1ccc(Br)cc1 ZINC001445036712 1066531445 /nfs/dbraw/zinc/53/14/45/1066531445.db2.gz SZUOHMMBNLHMHM-OAQYLSRUSA-N 1 0 452.396 4.801 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361202094 1066532318 /nfs/dbraw/zinc/53/23/18/1066532318.db2.gz LFZQYAJZSHYNOB-WMZOPIPTSA-N 1 0 460.464 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361202091 1066532329 /nfs/dbraw/zinc/53/23/29/1066532329.db2.gz LFZQYAJZSHYNOB-AEFFLSMTSA-N 1 0 460.464 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC001361202924 1066532918 /nfs/dbraw/zinc/53/29/18/1066532918.db2.gz VIGUWHYUHUOJBN-IBGZPJMESA-N 1 0 451.615 4.708 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)n2CCCOC(F)(F)F)o1 ZINC001361203250 1066533329 /nfs/dbraw/zinc/53/33/29/1066533329.db2.gz YUKPCUFICQHPKI-SFHVURJKSA-N 1 0 477.531 4.874 20 0 JJADRO O=C(Oc1ccc(Br)c(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001456201065 1066536754 /nfs/dbraw/zinc/53/67/54/1066536754.db2.gz YZRUSYYQCQDKCG-IAGOWNOFSA-N 1 0 461.356 4.866 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2cc(COC(C)(C)C)on2)o1 ZINC001361205539 1066536899 /nfs/dbraw/zinc/53/68/99/1066536899.db2.gz LFBIZXPFQBXXKV-UHFFFAOYSA-N 1 0 484.645 4.755 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)c1ccc(Cl)cc1 ZINC001445083003 1066537617 /nfs/dbraw/zinc/53/76/17/1066537617.db2.gz GWERJFJRWGCSNC-JTQLQIEISA-N 1 0 453.661 4.692 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)n2CC(F)(F)Br)o1 ZINC001361206975 1066538954 /nfs/dbraw/zinc/53/89/54/1066538954.db2.gz DNNMNYMQGXYHBK-KRWDZBQOSA-N 1 0 480.357 4.545 20 0 JJADRO CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001445093563 1066539170 /nfs/dbraw/zinc/53/91/70/1066539170.db2.gz TXEKWTRKRDEUON-FQEVSTJZSA-N 1 0 453.999 4.866 20 0 JJADRO CC(C)(C)OC(=O)N(CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)CC1CC1 ZINC001445098010 1066539718 /nfs/dbraw/zinc/53/97/18/1066539718.db2.gz ZPUCIXORYPMRTF-HHHXNRCGSA-N 1 0 455.643 4.538 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)o1 ZINC001361207200 1066539723 /nfs/dbraw/zinc/53/97/23/1066539723.db2.gz MWMVWWNPUAVBDI-GOSISDBHSA-N 1 0 491.558 4.870 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546080819 1066540853 /nfs/dbraw/zinc/54/08/53/1066540853.db2.gz BXMMXCRQFJSGGI-LXFBAYGMSA-N 1 0 496.700 4.521 20 0 JJADRO CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001445170742 1066542687 /nfs/dbraw/zinc/54/26/87/1066542687.db2.gz AMKIVMVGIYCQIN-QHCPKHFHSA-N 1 0 455.643 4.537 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](C)C3)n2CC[NH+]2CCC(C)CC2)cc1Br ZINC001361212150 1066546376 /nfs/dbraw/zinc/54/63/76/1066546376.db2.gz IBPOPFJBRORECM-SFHVURJKSA-N 1 0 460.464 4.984 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001445229555 1066547566 /nfs/dbraw/zinc/54/75/66/1066547566.db2.gz ZZJMMEPVZUBMNQ-HYBUGGRVSA-N 1 0 451.611 4.537 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)o1 ZINC001361212779 1066547811 /nfs/dbraw/zinc/54/78/11/1066547811.db2.gz PSQWCXRZXIOZOQ-FYYLOGMGSA-N 1 0 498.716 4.736 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](C)CC3)n2CCCC[NH+]2CCOCC2)cc1Br ZINC001361213485 1066548261 /nfs/dbraw/zinc/54/82/61/1066548261.db2.gz XYYNKPYJCVQUKW-LJQANCHMSA-N 1 0 490.490 4.755 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361213919 1066549063 /nfs/dbraw/zinc/54/90/63/1066549063.db2.gz DSOINUCLSMLKFQ-RXVVDRJESA-N 1 0 491.558 4.915 20 0 JJADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC001445288529 1066554284 /nfs/dbraw/zinc/55/42/84/1066554284.db2.gz FEUQONYMBMXOGD-UHFFFAOYSA-N 1 0 456.637 4.518 20 0 JJADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccn1-c1cccc(I)c1 ZINC001445291173 1066554519 /nfs/dbraw/zinc/55/45/19/1066554519.db2.gz JLJBYCKHJSIHDR-UHFFFAOYSA-N 1 0 459.331 4.704 20 0 JJADRO O=C(NCc1ccc(Br)c(Br)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC001456289955 1066556246 /nfs/dbraw/zinc/55/62/46/1066556246.db2.gz KQJDJWLFNMIIAH-UHFFFAOYSA-N 1 0 452.190 4.737 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C)C1 ZINC001456302709 1066559012 /nfs/dbraw/zinc/55/90/12/1066559012.db2.gz NGAZPYHHXOVBSH-KSSFIOAISA-N 1 0 456.439 4.984 20 0 JJADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001445341083 1066559449 /nfs/dbraw/zinc/55/94/49/1066559449.db2.gz YGCAIKFPQGRWHD-UHFFFAOYSA-N 1 0 455.546 4.710 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)[C@H](C)C1 ZINC001456304173 1066559775 /nfs/dbraw/zinc/55/97/75/1066559775.db2.gz ROKABWIWYWNWNU-GCJKJVERSA-N 1 0 455.002 4.546 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CC=CCC2)cc1Br ZINC001361221437 1066559941 /nfs/dbraw/zinc/55/99/41/1066559941.db2.gz YTYMZOUDGGEXMC-LJQANCHMSA-N 1 0 458.448 4.903 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCSC(C)C)cc1Br ZINC001361221378 1066560149 /nfs/dbraw/zinc/56/01/49/1066560149.db2.gz XTHGIDJMQUILQJ-UHFFFAOYSA-N 1 0 466.493 4.688 20 0 JJADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc2c(cncc2Br)s1 ZINC001456307746 1066560325 /nfs/dbraw/zinc/56/03/25/1066560325.db2.gz VTMQJBBOASVURR-UHFFFAOYSA-N 1 0 454.459 4.540 20 0 JJADRO C[C@H](CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC001445358632 1066562059 /nfs/dbraw/zinc/56/20/59/1066562059.db2.gz ADPNZTMZVRBYMF-YKSBVNFPSA-N 1 0 451.611 4.548 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2cccc(C[NH+](C)C)c2)o1 ZINC001361227132 1066565595 /nfs/dbraw/zinc/56/55/95/1066565595.db2.gz GXMYHGNBSMZMCO-SANMLTNESA-N 1 0 451.615 4.598 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC001361227637 1066566403 /nfs/dbraw/zinc/56/64/03/1066566403.db2.gz RVOWEVTXCRNUDX-RBUKOAKNSA-N 1 0 476.463 4.506 20 0 JJADRO Cc1cc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)n(C2CC[NH+](C)CC2)n1 ZINC001361228091 1066567077 /nfs/dbraw/zinc/56/70/77/1066567077.db2.gz DWMLVMJUNRBFIH-UHFFFAOYSA-N 1 0 457.987 4.678 20 0 JJADRO Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2C[C@@H](c2cccs2)[NH+](C)C)cc1Br ZINC001361229335 1066568650 /nfs/dbraw/zinc/56/86/50/1066568650.db2.gz PZBTZKQIIKKRHP-APWZRJJASA-N 1 0 490.471 4.606 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(Br)c3)n2C[C@H](C)[NH+](C)C)o1 ZINC001361234026 1066574827 /nfs/dbraw/zinc/57/48/27/1066574827.db2.gz LCGQPDZHUSRHDM-KXBFYZLASA-N 1 0 458.404 4.901 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(Br)c3)n2C[C@H](C)[NH+](C)C)o1 ZINC001361234025 1066574901 /nfs/dbraw/zinc/57/49/01/1066574901.db2.gz LCGQPDZHUSRHDM-HNAYVOBHSA-N 1 0 458.404 4.901 20 0 JJADRO CN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001445475216 1066575559 /nfs/dbraw/zinc/57/55/59/1066575559.db2.gz YXIWCTUPORRHMQ-QFIPXVFZSA-N 1 0 457.412 4.925 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001361235532 1066575827 /nfs/dbraw/zinc/57/58/27/1066575827.db2.gz WEBLKYAFTDLIQQ-ZEQRLZLVSA-N 1 0 466.674 4.577 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(COc3ccccc3F)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361238009 1066578549 /nfs/dbraw/zinc/57/85/49/1066578549.db2.gz SDAAMYDKUFFFCS-FQEVSTJZSA-N 1 0 455.578 4.827 20 0 JJADRO C[C@@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC001445508716 1066578658 /nfs/dbraw/zinc/57/86/58/1066578658.db2.gz AYNFBNDKWMARTA-LJQANCHMSA-N 1 0 459.428 4.740 20 0 JJADRO CCOc1cc2c(cc1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)O[C@H](C)C2 ZINC001361238500 1066579239 /nfs/dbraw/zinc/57/92/39/1066579239.db2.gz OXOYUINPUFQZDM-WOJBJXKFSA-N 1 0 452.595 4.592 20 0 JJADRO Cc1nc2c(Cl)cccc2cc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001445513050 1066579171 /nfs/dbraw/zinc/57/91/71/1066579171.db2.gz MMCYWRIFCVDQBG-UHFFFAOYSA-N 1 0 451.998 4.998 20 0 JJADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc(-n2cccc2)ccc1Cl ZINC001445511861 1066579194 /nfs/dbraw/zinc/57/91/94/1066579194.db2.gz JYCMEUQUBDHAHA-UHFFFAOYSA-N 1 0 451.998 4.932 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001361238908 1066580360 /nfs/dbraw/zinc/58/03/60/1066580360.db2.gz YUYCRVNPRXRICT-XBYSBRQOSA-N 1 0 482.673 4.649 20 0 JJADRO Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001361243758 1066585570 /nfs/dbraw/zinc/58/55/70/1066585570.db2.gz UAAKLJICIWSRJM-ZRZAMGCNSA-N 1 0 467.702 4.743 20 0 JJADRO Cc1ccc(CCn2c(CC(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC001361243803 1066585625 /nfs/dbraw/zinc/58/56/25/1066585625.db2.gz UWYHMCAQCYMDCC-PSWAGMNNSA-N 1 0 467.702 4.662 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCc2ccc(C)cc2C)cs1 ZINC001361246181 1066588436 /nfs/dbraw/zinc/58/84/36/1066588436.db2.gz ZSNUBHAWROBQQV-UHFFFAOYSA-N 1 0 466.699 4.804 20 0 JJADRO Cc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1I ZINC001445569180 1066589022 /nfs/dbraw/zinc/58/90/22/1066589022.db2.gz RAMYOXXWXLAPSG-QGZVFWFLSA-N 1 0 454.396 4.716 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)o1 ZINC001361248194 1066591246 /nfs/dbraw/zinc/59/12/46/1066591246.db2.gz IFSVVKLGGDPCAM-NHCUHLMSSA-N 1 0 485.604 4.596 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@H+](C)C2CCCC2)o1 ZINC001361248803 1066592388 /nfs/dbraw/zinc/59/23/88/1066592388.db2.gz RNTFFGNGLSTPDJ-LJQANCHMSA-N 1 0 455.578 4.969 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546082751 1066594537 /nfs/dbraw/zinc/59/45/37/1066594537.db2.gz CCNXITCNYVLTGJ-CTIGNXTNSA-N 1 0 487.645 4.927 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361250032 1066595706 /nfs/dbraw/zinc/59/57/06/1066595706.db2.gz OGURQSOENMWFBO-JKSUJKDBSA-N 1 0 475.435 4.694 20 0 JJADRO CCCN(C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445639323 1066597257 /nfs/dbraw/zinc/59/72/57/1066597257.db2.gz SSPCBIVABRHKOD-HSZRJFAPSA-N 1 0 457.659 4.579 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC001361250874 1066597938 /nfs/dbraw/zinc/59/79/38/1066597938.db2.gz CGVFIMHRINKAEV-KRWDZBQOSA-N 1 0 475.062 4.501 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccsc2)[NH+](C)C)o1 ZINC001361251404 1066598986 /nfs/dbraw/zinc/59/89/86/1066598986.db2.gz QSSMWVCFAUTXNY-LJQANCHMSA-N 1 0 457.003 4.896 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361251621 1066599326 /nfs/dbraw/zinc/59/93/26/1066599326.db2.gz ZHZAYCTZGADEGX-UHFFFAOYSA-N 1 0 460.420 4.833 20 0 JJADRO COc1cc(N[C@H]2CCCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)C2)cc(OC)c1 ZINC001445682021 1066602385 /nfs/dbraw/zinc/60/23/85/1066602385.db2.gz AVPCNQRSAPNWEO-FMGHJNRGSA-N 1 0 479.665 4.901 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC2CC[NH+](CCC(C)C)CC2)s1 ZINC001361255599 1066603787 /nfs/dbraw/zinc/60/37/87/1066603787.db2.gz MCHFLNLJZRGEEW-QFIPXVFZSA-N 1 0 459.704 4.937 20 0 JJADRO CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001445699100 1066605724 /nfs/dbraw/zinc/60/57/24/1066605724.db2.gz IZMPLCRZOFEVMR-STXXITBHSA-N 1 0 451.438 4.905 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001361259324 1066610359 /nfs/dbraw/zinc/61/03/59/1066610359.db2.gz YLYGYVHICHVKDJ-OYRHEFFESA-N 1 0 450.631 4.560 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@H+](C)C2CC2)s1 ZINC001361261050 1066611626 /nfs/dbraw/zinc/61/16/26/1066611626.db2.gz FQJFJQIBVUFVGW-INIZCTEOSA-N 1 0 460.047 5.000 20 0 JJADRO Cc1ccc(CN(Cc2ccco2)c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)s1 ZINC001361261625 1066613597 /nfs/dbraw/zinc/61/35/97/1066613597.db2.gz GDDVAUDQOUZETQ-HXUWFJFHSA-N 1 0 471.671 4.592 20 0 JJADRO Cc1ccc(CN(Cc2ccco2)c2nnc(C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001361261534 1066613708 /nfs/dbraw/zinc/61/37/08/1066613708.db2.gz FADAPWNQQYVAFB-HDICACEKSA-N 1 0 457.644 4.644 20 0 JJADRO Cc1ccc(CN(Cc2ccco2)c2nnc(C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC001361261536 1066613734 /nfs/dbraw/zinc/61/37/34/1066613734.db2.gz FADAPWNQQYVAFB-QZTJIDSGSA-N 1 0 457.644 4.644 20 0 JJADRO Cc1ccc(CN(Cc2ccco2)c2nnc(C(C)C)n2CC2([NH+](C)C)CCOCC2)s1 ZINC001361261699 1066614176 /nfs/dbraw/zinc/61/41/76/1066614176.db2.gz HODAKVJVZAACQU-UHFFFAOYSA-N 1 0 457.644 4.682 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001361261860 1066614944 /nfs/dbraw/zinc/61/49/44/1066614944.db2.gz ZIFFOYNQFPQAAI-KDURUIRLSA-N 1 0 487.645 4.502 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001445784969 1066616788 /nfs/dbraw/zinc/61/67/88/1066616788.db2.gz GONWHNAKJPQGOI-CJNGLKHVSA-N 1 0 457.290 4.741 20 0 JJADRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)[C@H](O)c1cccc(F)c1 ZINC001445827323 1066623859 /nfs/dbraw/zinc/62/38/59/1066623859.db2.gz VQQXGKQMIRVXNO-JBSJPJJHSA-N 1 0 466.984 4.933 20 0 JJADRO Cc1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[NH+](CC(C)C)CC2)cn1 ZINC001361272823 1066628102 /nfs/dbraw/zinc/62/81/02/1066628102.db2.gz RLTYPFFQKUTMCZ-UHFFFAOYSA-N 1 0 459.425 4.782 20 0 JJADRO Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC001361273377 1066629385 /nfs/dbraw/zinc/62/93/85/1066629385.db2.gz YRIUMPHYRVDNCY-UHFFFAOYSA-N 1 0 456.997 4.800 20 0 JJADRO O=C(N[C@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccccc1)c1ccccc1 ZINC001445904003 1066632894 /nfs/dbraw/zinc/63/28/94/1066632894.db2.gz ZHSOTCDQTBWGPR-SANMLTNESA-N 1 0 457.574 4.661 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](COCc3ccccc3)c3ccccc3)cc2)CC1 ZINC001456586478 1066633770 /nfs/dbraw/zinc/63/37/70/1066633770.db2.gz NJLVSXXLJCFHNL-MUUNZHRXSA-N 1 0 457.618 4.905 20 0 JJADRO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CC(C)C)CC2)c(OCC2CC2)c1 ZINC001361284167 1066642391 /nfs/dbraw/zinc/64/23/91/1066642391.db2.gz ASPIISFLEZMKFX-UHFFFAOYSA-N 1 0 453.675 4.790 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)CCOc1ccccc1Cl)[NH+]1CCCC1 ZINC001545980373 1066643978 /nfs/dbraw/zinc/64/39/78/1066643978.db2.gz SVZRONCRZSVVDS-FQEVSTJZSA-N 1 0 469.033 4.692 20 0 JJADRO CC[N@H+](C)[C@@H](C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624950 1066649008 /nfs/dbraw/zinc/64/90/08/1066649008.db2.gz WGVFSBDKORFUIF-ZJSXRUAMSA-N 1 0 457.659 4.955 20 0 JJADRO Cc1ccccc1O[C@@H](C)Cn1c(N2CC[NH+](CCc3cccs3)CC2)nnc1C(C)(C)C ZINC001492598976 1066649749 /nfs/dbraw/zinc/64/97/49/1066649749.db2.gz SBXNYFBYIVOPAK-NRFANRHFSA-N 1 0 467.683 4.778 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CCCCC[NH+]2CCCC2)CCO1 ZINC001546083722 1066650302 /nfs/dbraw/zinc/65/03/02/1066650302.db2.gz RXFCNHUGJBYDBH-XMMPIXPASA-N 1 0 490.490 4.979 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CCCCC[NH+]2CCCC2)CCO1 ZINC001546083721 1066650339 /nfs/dbraw/zinc/65/03/39/1066650339.db2.gz RXFCNHUGJBYDBH-DEOSSOPVSA-N 1 0 490.490 4.979 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001492600141 1066652512 /nfs/dbraw/zinc/65/25/12/1066652512.db2.gz ISVKIQGCQBZMJU-KDYSTLNUSA-N 1 0 462.642 4.674 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(Cc2ccsc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492601864 1066657032 /nfs/dbraw/zinc/65/70/32/1066657032.db2.gz JFUKEZCWUVWFTN-IRLDBZIGSA-N 1 0 467.683 4.874 20 0 JJADRO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC001446085169 1066657527 /nfs/dbraw/zinc/65/75/27/1066657527.db2.gz GQMSFOFZFNZLPK-DHLKQENFSA-N 1 0 452.595 4.862 20 0 JJADRO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456648128 1066658002 /nfs/dbraw/zinc/65/80/02/1066658002.db2.gz HXTSLRCJGMVQOC-CCDWMCETSA-N 1 0 465.638 4.710 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492602329 1066658286 /nfs/dbraw/zinc/65/82/86/1066658286.db2.gz QAWWKDUDZBROCH-SSEPRJSISA-N 1 0 469.674 4.854 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001492602326 1066658339 /nfs/dbraw/zinc/65/83/39/1066658339.db2.gz QAWWKDUDZBROCH-DDZLNHKNSA-N 1 0 469.674 4.854 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546084141 1066659370 /nfs/dbraw/zinc/65/93/70/1066659370.db2.gz YMJQZBGRWUQZKE-NBGIEHNGSA-N 1 0 476.065 4.809 20 0 JJADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C1 ZINC001446135438 1066663380 /nfs/dbraw/zinc/66/33/80/1066663380.db2.gz BJCAGTLLMAJCKU-OAQYLSRUSA-N 1 0 459.700 4.716 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001446164517 1066668305 /nfs/dbraw/zinc/66/83/05/1066668305.db2.gz RVNVYBNIKVNVDC-DVECYGJZSA-N 1 0 458.071 4.730 20 0 JJADRO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001446175908 1066668831 /nfs/dbraw/zinc/66/88/31/1066668831.db2.gz PSANRLBVSSLUFI-MSOLQXFVSA-N 1 0 454.412 4.834 20 0 JJADRO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001446175911 1066668864 /nfs/dbraw/zinc/66/88/64/1066668864.db2.gz PSANRLBVSSLUFI-QZTJIDSGSA-N 1 0 454.412 4.834 20 0 JJADRO CC1=CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001492608664 1066669890 /nfs/dbraw/zinc/66/98/90/1066669890.db2.gz FPQWOJMCVZGXTL-MRXNPFEDSA-N 1 0 452.466 4.902 20 0 JJADRO CC1=CCCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001492609210 1066670353 /nfs/dbraw/zinc/67/03/53/1066670353.db2.gz OSVWBJOETKFAIH-KDURUIRLSA-N 1 0 488.474 4.752 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC001456707744 1066671353 /nfs/dbraw/zinc/67/13/53/1066671353.db2.gz UFRKRMOMVZNQHM-HRAATJIYSA-N 1 0 458.400 4.504 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC001456707751 1066671503 /nfs/dbraw/zinc/67/15/03/1066671503.db2.gz UFRKRMOMVZNQHM-IIBYNOLFSA-N 1 0 458.400 4.504 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC=C(C)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492612369 1066674334 /nfs/dbraw/zinc/67/43/34/1066674334.db2.gz DDNHWKYCZQFEJA-HXUWFJFHSA-N 1 0 450.656 4.701 20 0 JJADRO CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)NC(=O)OC(C)(C)C ZINC001545983187 1066675737 /nfs/dbraw/zinc/67/57/37/1066675737.db2.gz YKACWYRHGGMCIR-RZUBCFFCSA-N 1 0 474.694 4.550 20 0 JJADRO CC1=CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001492614043 1066677639 /nfs/dbraw/zinc/67/76/39/1066677639.db2.gz RDSIFMJFIQFZPS-VABKMULXSA-N 1 0 486.705 4.875 20 0 JJADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001446246292 1066679613 /nfs/dbraw/zinc/67/96/13/1066679613.db2.gz QIDVQWZMFHVOLZ-DENIHFKCSA-N 1 0 459.631 4.660 20 0 JJADRO CC1=CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001492615221 1066680393 /nfs/dbraw/zinc/68/03/93/1066680393.db2.gz DVIAVQPTNPMTFX-RBUKOAKNSA-N 1 0 458.448 4.984 20 0 JJADRO CC1=CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001492615278 1066680535 /nfs/dbraw/zinc/68/05/35/1066680535.db2.gz HPKBETRNDYZITK-SFHVURJKSA-N 1 0 492.437 4.504 20 0 JJADRO CC1=CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001492616351 1066683800 /nfs/dbraw/zinc/68/38/00/1066683800.db2.gz VUUVHRXEVWRXQX-LJQANCHMSA-N 1 0 458.448 4.984 20 0 JJADRO CC1=CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001492616350 1066683833 /nfs/dbraw/zinc/68/38/33/1066683833.db2.gz VUUVHRXEVWRXQX-IBGZPJMESA-N 1 0 458.448 4.984 20 0 JJADRO CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001492617676 1066685262 /nfs/dbraw/zinc/68/52/62/1066685262.db2.gz LQVPINRVDUZXOW-UHFFFAOYSA-N 1 0 486.705 4.814 20 0 JJADRO CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001492620150 1066689368 /nfs/dbraw/zinc/68/93/68/1066689368.db2.gz XLAKCPLQOWNNSQ-UHFFFAOYSA-N 1 0 462.436 4.506 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCCC[C@H]3C)C2)c1 ZINC001492620680 1066690718 /nfs/dbraw/zinc/69/07/18/1066690718.db2.gz JQIVXMGXUSKHBA-PKTZIBPZSA-N 1 0 455.695 4.868 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCCCCC[NH+]3CCCC3)C2)c1 ZINC001492621151 1066691543 /nfs/dbraw/zinc/69/15/43/1066691543.db2.gz UFFOVHSPILYBLP-QHCPKHFHSA-N 1 0 455.695 4.968 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc3c(Br)cccc3cn2)cc1 ZINC001446356162 1066695587 /nfs/dbraw/zinc/69/55/87/1066695587.db2.gz STTFIEKTXCWWKJ-JOCHJYFZSA-N 1 0 454.368 4.573 20 0 JJADRO Cc1cnn(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001492624507 1066696793 /nfs/dbraw/zinc/69/67/93/1066696793.db2.gz VSXDSTCKFMBBMF-DEOSSOPVSA-N 1 0 493.700 4.797 20 0 JJADRO O=C([C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446390203 1066700941 /nfs/dbraw/zinc/70/09/41/1066700941.db2.gz HCSJWMHWKNFKNN-RBUKOAKNSA-N 1 0 451.558 4.823 20 0 JJADRO CCOc1ccccc1[C@H](CC(=O)N1CC[NH+](C2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001446561398 1066720724 /nfs/dbraw/zinc/72/07/24/1066720724.db2.gz AMVLOOKLVCBZKB-QFIPXVFZSA-N 1 0 459.631 4.518 20 0 JJADRO C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(I)cc1 ZINC001446568986 1066721721 /nfs/dbraw/zinc/72/17/21/1066721721.db2.gz RHMHCQFZQDNWBZ-QGZVFWFLSA-N 1 0 454.396 4.509 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC001545987838 1066727286 /nfs/dbraw/zinc/72/72/86/1066727286.db2.gz XLSIXIGWWDQLGI-CTNGQTDRSA-N 1 0 465.564 4.702 20 0 JJADRO O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001446713792 1066733626 /nfs/dbraw/zinc/73/36/26/1066733626.db2.gz OVYDIQGYPVNRRJ-UHFFFAOYSA-N 1 0 457.014 4.884 20 0 JJADRO COc1ccc(-c2ccc(C(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)c(F)c2)c(F)c1 ZINC001446717143 1066734010 /nfs/dbraw/zinc/73/40/10/1066734010.db2.gz UGOTYWRHWDUCFR-UHFFFAOYSA-N 1 0 458.549 4.605 20 0 JJADRO Cc1csc([C@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCC[N@@H+](C)C(C)C)CCO2)n1 ZINC001492641582 1066734839 /nfs/dbraw/zinc/73/48/39/1066734839.db2.gz MMAIAYLYORRWBV-HXUWFJFHSA-N 1 0 475.062 4.672 20 0 JJADRO Cc1csc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001492641598 1066734982 /nfs/dbraw/zinc/73/49/82/1066734982.db2.gz HOGVRQFIJKDWMR-HBMCJLEFSA-N 1 0 488.746 4.903 20 0 JJADRO Cc1noc(-c2ccc(C(=O)N(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC(F)(F)F)cc2)n1 ZINC001456980207 1066735052 /nfs/dbraw/zinc/73/50/52/1066735052.db2.gz BKXLXPHLXZBGNG-LJQANCHMSA-N 1 0 458.484 4.572 20 0 JJADRO COc1ccc2c(ccn2CC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC001456989627 1066736923 /nfs/dbraw/zinc/73/69/23/1066736923.db2.gz ZCEVWYSMERGPPU-FQEVSTJZSA-N 1 0 459.512 4.563 20 0 JJADRO O=C(/C=C/c1cnc2ccccc2n1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456988933 1066736987 /nfs/dbraw/zinc/73/69/87/1066736987.db2.gz WCDLESKAXLFCAM-CTDFXDFQSA-N 1 0 454.496 4.556 20 0 JJADRO Cc1csc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001492642982 1066737830 /nfs/dbraw/zinc/73/78/30/1066737830.db2.gz WSHMTYIMRWKHCL-ZCNNSNEGSA-N 1 0 474.719 4.612 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001546086004 1066738080 /nfs/dbraw/zinc/73/80/80/1066738080.db2.gz XBYTVOYGUNWLMQ-JTSKRJEESA-N 1 0 496.519 4.895 20 0 JJADRO Cc1csc([C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001492643087 1066738253 /nfs/dbraw/zinc/73/82/53/1066738253.db2.gz YSEYBLWFXMMXAS-IBGZPJMESA-N 1 0 474.078 4.873 20 0 JJADRO Cc1csc(CCCCn2c(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)n1 ZINC001492643322 1066739289 /nfs/dbraw/zinc/73/92/89/1066739289.db2.gz FSDDRNCZPXFWNB-NZQKXSOJSA-N 1 0 498.745 4.616 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c(C)onc1-c1cccc(Cl)c1 ZINC001457011406 1066741656 /nfs/dbraw/zinc/74/16/56/1066741656.db2.gz QDYBCHBIMJEQKO-UHFFFAOYSA-N 1 0 454.958 4.706 20 0 JJADRO Cc1csc(CCCCn2c([C@H]3CCCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001492644299 1066741816 /nfs/dbraw/zinc/74/18/16/1066741816.db2.gz ZQWIUNMNFBOBJY-NRFANRHFSA-N 1 0 474.719 4.518 20 0 JJADRO CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@@H](C)C1)[NH+]1CCCC1 ZINC001545989835 1066744534 /nfs/dbraw/zinc/74/45/34/1066744534.db2.gz LELDPSQOPUCAQR-GGAORHGYSA-N 1 0 488.721 4.893 20 0 JJADRO Cc1csc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001492645277 1066745479 /nfs/dbraw/zinc/74/54/79/1066745479.db2.gz QKXPTVLJHMLTDT-HSZRJFAPSA-N 1 0 494.709 4.725 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492645665 1066746442 /nfs/dbraw/zinc/74/64/42/1066746442.db2.gz DZEDUGJOFCYADX-HDICACEKSA-N 1 0 489.089 4.888 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ncc(Br)s2)cc1)C[C@H]1CCCCO1 ZINC001446841220 1066746869 /nfs/dbraw/zinc/74/68/69/1066746869.db2.gz XWYISIFDAKFKJV-QGZVFWFLSA-N 1 0 452.418 4.937 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001492645827 1066747462 /nfs/dbraw/zinc/74/74/62/1066747462.db2.gz KJJHVMHPHBBDMA-LJQANCHMSA-N 1 0 492.064 4.981 20 0 JJADRO Cc1c(C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)nnn1-c1ccc(C)cc1 ZINC001457031130 1066748503 /nfs/dbraw/zinc/74/85/03/1066748503.db2.gz BWQGHPPDOGHVEU-UHFFFAOYSA-N 1 0 453.590 4.659 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)[NH+](C)C)c1 ZINC001492646168 1066748989 /nfs/dbraw/zinc/74/89/89/1066748989.db2.gz YGEDZBYSOLHQKP-AWEZNQCLSA-N 1 0 466.424 4.803 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001492647139 1066751010 /nfs/dbraw/zinc/75/10/10/1066751010.db2.gz FXSATUDTNFUOAD-OALUTQOASA-N 1 0 489.636 4.653 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001492647496 1066751483 /nfs/dbraw/zinc/75/14/83/1066751483.db2.gz NKDAYAAMEWXQSA-IBGZPJMESA-N 1 0 452.672 4.781 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001492648048 1066752853 /nfs/dbraw/zinc/75/28/53/1066752853.db2.gz HYSYPZQISVHSKS-QHCPKHFHSA-N 1 0 481.645 4.588 20 0 JJADRO Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001492648363 1066753921 /nfs/dbraw/zinc/75/39/21/1066753921.db2.gz RVYAMEMKQXQMQN-IBGZPJMESA-N 1 0 486.711 4.540 20 0 JJADRO Cc1cc(Cl)ccc1O[C@@H](C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1)c1ccccc1 ZINC001457081462 1066757132 /nfs/dbraw/zinc/75/71/32/1066757132.db2.gz MDHIKHCGTPHREJ-XMMPIXPASA-N 1 0 457.014 4.608 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001546086915 1066758196 /nfs/dbraw/zinc/75/81/96/1066758196.db2.gz BDBNEWCUMQEJTM-UQBPGWFLSA-N 1 0 476.065 4.733 20 0 JJADRO Cc1cscc1Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CCC(C)C ZINC001492655295 1066765793 /nfs/dbraw/zinc/76/57/93/1066765793.db2.gz GTBOLWIHYKLYNP-UHFFFAOYSA-N 1 0 466.699 4.543 20 0 JJADRO O=C(CSc1ccccc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)Nc1ccc(F)cc1 ZINC001457123227 1066767050 /nfs/dbraw/zinc/76/70/50/1066767050.db2.gz MEYSVJIBJVRDGU-NRFANRHFSA-N 1 0 455.599 4.551 20 0 JJADRO Cc1nc(C)c(CCn2c(COc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC001492657424 1066770963 /nfs/dbraw/zinc/77/09/63/1066770963.db2.gz SXJUKGCSWSZXPP-UHFFFAOYSA-N 1 0 486.661 4.623 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc(Br)ccc3OCc3ccccc3)C[C@@H]2C1 ZINC001457143649 1066771474 /nfs/dbraw/zinc/77/14/74/1066771474.db2.gz KCOVBYLWBAFGJT-IRFCIJBXSA-N 1 0 457.412 4.830 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc(Br)ccc3OCc3ccccc3)C[C@@H]2C1 ZINC001457143658 1066771987 /nfs/dbraw/zinc/77/19/87/1066771987.db2.gz KCOVBYLWBAFGJT-SVFBPWRDSA-N 1 0 457.412 4.830 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CCC[NH+]2CCCC2)cs1 ZINC001492661817 1066781241 /nfs/dbraw/zinc/78/12/41/1066781241.db2.gz NKFIGFLKPIFFFY-INIZCTEOSA-N 1 0 460.598 4.595 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001492662045 1066781715 /nfs/dbraw/zinc/78/17/15/1066781715.db2.gz PJRPBFNJITWBKO-HTAPYJJXSA-N 1 0 458.651 4.947 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195877 1066784933 /nfs/dbraw/zinc/78/49/33/1066784933.db2.gz MIMMBYYJFJGHBJ-UPVQGACJSA-N 1 0 457.659 4.893 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195867 1066784999 /nfs/dbraw/zinc/78/49/99/1066784999.db2.gz MIMMBYYJFJGHBJ-ISKFKSNPSA-N 1 0 457.659 4.893 20 0 JJADRO O=C(Cc1cccc(OCCCOc2ccccc2)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001457196193 1066785063 /nfs/dbraw/zinc/78/50/63/1066785063.db2.gz FRIGRWIPILFHOB-UHFFFAOYSA-N 1 0 450.623 4.990 20 0 JJADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001457197327 1066786350 /nfs/dbraw/zinc/78/63/50/1066786350.db2.gz IMNTXAJLTGHDOM-GOSISDBHSA-N 1 0 451.574 4.537 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccco3)n2CC2CC[NH+](CCC(C)C)CC2)cs1 ZINC001492665365 1066786588 /nfs/dbraw/zinc/78/65/88/1066786588.db2.gz GJWRQMCKVFJZNH-UHFFFAOYSA-N 1 0 456.660 4.621 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492666104 1066789899 /nfs/dbraw/zinc/78/98/99/1066789899.db2.gz HGMDZIJVMQOJHT-FQEVSTJZSA-N 1 0 488.086 4.683 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccsc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001492666814 1066792475 /nfs/dbraw/zinc/79/24/75/1066792475.db2.gz IYLJQCYPJXXTEU-QZTJIDSGSA-N 1 0 458.701 4.700 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@H]3CCCO[C@H]3c3ccccc3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001492667892 1066794853 /nfs/dbraw/zinc/79/48/53/1066794853.db2.gz RWKNBRWZTRCYLX-RDGATRHJSA-N 1 0 482.698 4.578 20 0 JJADRO C[C@H]1C[C@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001457239318 1066796609 /nfs/dbraw/zinc/79/66/09/1066796609.db2.gz LRFWMDXNJREIHO-OXJNMPFZSA-N 1 0 454.368 4.887 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCCc3ccccc3)n2CC[NH+]2CCCCCC2)cs1 ZINC001492668658 1066796943 /nfs/dbraw/zinc/79/69/43/1066796943.db2.gz SWEONNMZPOWMSP-UHFFFAOYSA-N 1 0 452.672 4.579 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCOc3ccccc3C)n2C[C@H](C)[NH+]2CCC(C)CC2)cs1 ZINC001492669469 1066798240 /nfs/dbraw/zinc/79/82/40/1066798240.db2.gz WWZDBNLYWOSBCP-NRFANRHFSA-N 1 0 482.698 4.578 20 0 JJADRO Cc1nc(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001492669690 1066798287 /nfs/dbraw/zinc/79/82/87/1066798287.db2.gz GYXMBRKBGJCPQK-LJQANCHMSA-N 1 0 470.662 4.920 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)Oc1cccc(F)c1 ZINC001545994938 1066798869 /nfs/dbraw/zinc/79/88/69/1066798869.db2.gz JFCCGNARWUMWEM-GMAHTHKFSA-N 1 0 457.638 4.786 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC001492671559 1066802722 /nfs/dbraw/zinc/80/27/22/1066802722.db2.gz ZBECSSPIPGRXLW-DRSNIGMVSA-N 1 0 456.635 4.701 20 0 JJADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001457281052 1066803176 /nfs/dbraw/zinc/80/31/76/1066803176.db2.gz XEWJCJXRYJVYJM-NGICGMGXSA-N 1 0 452.426 4.511 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001492671991 1066803858 /nfs/dbraw/zinc/80/38/58/1066803858.db2.gz KJLUKRLQEQQPFW-KNQAVFIVSA-N 1 0 470.662 4.948 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492673616 1066806863 /nfs/dbraw/zinc/80/68/63/1066806863.db2.gz YFIVSTVVCVDEPW-HSALFYBXSA-N 1 0 458.720 4.874 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)c1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC001457308666 1066807516 /nfs/dbraw/zinc/80/75/16/1066807516.db2.gz JHAJNKWRRXSSKU-QHCPKHFHSA-N 1 0 455.643 4.830 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCC(C)(C)[NH2+]C(C)(C)C3)[C@H]2c2cccs2)cc1 ZINC001457316678 1066808775 /nfs/dbraw/zinc/80/87/75/1066808775.db2.gz ZIZYAMYGTKQQON-OFNKIYASSA-N 1 0 453.652 4.920 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2Cc2cccc(C[NH+](C)C)c2)cs1 ZINC001492674616 1066809614 /nfs/dbraw/zinc/80/96/14/1066809614.db2.gz DSYZMPGIGFXHNG-UHFFFAOYSA-N 1 0 477.465 4.643 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001492674795 1066809904 /nfs/dbraw/zinc/80/99/04/1066809904.db2.gz IGKTXTBFUBWFID-FQEVSTJZSA-N 1 0 495.455 4.975 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCC[NH+]2CCC(C)CC2)cs1 ZINC001492675736 1066811443 /nfs/dbraw/zinc/81/14/43/1066811443.db2.gz JEDJVJBEMOABET-UHFFFAOYSA-N 1 0 474.719 4.540 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CCC(C)(F)F)cs1 ZINC001492678429 1066818335 /nfs/dbraw/zinc/81/83/35/1066818335.db2.gz JQPSGWZQPOSORE-IBGZPJMESA-N 1 0 466.646 4.627 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492679268 1066821353 /nfs/dbraw/zinc/82/13/53/1066821353.db2.gz YGVFAGOALBEGSI-GBXCKJPGSA-N 1 0 496.725 4.938 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492679489 1066821796 /nfs/dbraw/zinc/82/17/96/1066821796.db2.gz FFNFAAAYKIKHKU-OFNKIYASSA-N 1 0 488.746 4.786 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492680318 1066822578 /nfs/dbraw/zinc/82/25/78/1066822578.db2.gz IUFNXRQHNGZALC-UHFFFAOYSA-N 1 0 494.587 4.501 20 0 JJADRO C[C@@H](CCNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)[N@H+](C)Cc1ccccc1 ZINC001457420557 1066827304 /nfs/dbraw/zinc/82/73/04/1066827304.db2.gz DSDSNIXOFJEGPR-QFIPXVFZSA-N 1 0 457.618 4.719 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001492684139 1066827875 /nfs/dbraw/zinc/82/78/75/1066827875.db2.gz RYMPHNPYLNONTH-DENIHFKCSA-N 1 0 476.760 4.866 20 0 JJADRO C[C@@H](CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001457422670 1066828637 /nfs/dbraw/zinc/82/86/37/1066828637.db2.gz PCYXNHBSIZKZPJ-IFZJCEBKSA-N 1 0 457.659 4.733 20 0 JJADRO C[C@H](CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001457422669 1066828724 /nfs/dbraw/zinc/82/87/24/1066828724.db2.gz PCYXNHBSIZKZPJ-CAGISBQGSA-N 1 0 457.659 4.733 20 0 JJADRO Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccccc4)n3CCC[NH+](C(C)C)C(C)C)C2)no1 ZINC001492685616 1066830438 /nfs/dbraw/zinc/83/04/38/1066830438.db2.gz IWXQKVKZQULNPM-JOCHJYFZSA-N 1 0 465.646 4.605 20 0 JJADRO CC[N@H+](CCNC(=O)c1cc(-c2ccc(Br)cc2)ns1)CCC(F)(F)F ZINC001447639849 1066834143 /nfs/dbraw/zinc/83/41/43/1066834143.db2.gz MNYJYOUWTXTCAQ-UHFFFAOYSA-N 1 0 450.324 4.577 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc(CCc3ccccc3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492694041 1066839382 /nfs/dbraw/zinc/83/93/82/1066839382.db2.gz BQXQMYHOIIOHOQ-JOCHJYFZSA-N 1 0 452.672 4.758 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001492695345 1066841540 /nfs/dbraw/zinc/84/15/40/1066841540.db2.gz XSVVGVWXHDCLIA-LVCYWYKZSA-N 1 0 474.719 4.861 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)cc1 ZINC001457502171 1066844650 /nfs/dbraw/zinc/84/46/50/1066844650.db2.gz HHNCBRPWHKSLDD-HSZRJFAPSA-N 1 0 459.565 4.614 20 0 JJADRO COCc1nnc(-c2cccc(C(=O)NCc3ccccc3-c3ccc(C[NH+](C)C)cc3)c2)o1 ZINC001457502538 1066844854 /nfs/dbraw/zinc/84/48/54/1066844854.db2.gz JFZIXECHMXGOKB-UHFFFAOYSA-N 1 0 456.546 4.542 20 0 JJADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC001447714957 1066845863 /nfs/dbraw/zinc/84/58/63/1066845863.db2.gz SLGQOZDRMJTIBV-BEFAXECRSA-N 1 0 458.430 4.844 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+](C(C)C)C(C)C)s1 ZINC001492696411 1066846474 /nfs/dbraw/zinc/84/64/74/1066846474.db2.gz MNADLCYPRVUBPJ-UHFFFAOYSA-N 1 0 494.507 4.946 20 0 JJADRO Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)s1 ZINC001492696791 1066848280 /nfs/dbraw/zinc/84/82/80/1066848280.db2.gz XTHXQKLHLKVWCS-LJQANCHMSA-N 1 0 454.644 4.532 20 0 JJADRO CC[C@H](Cn1c(Cc2cccnc2)nnc1N(CC)Cc1ccc(Cl)s1)[NH+]1CCCC1 ZINC001545999947 1066849622 /nfs/dbraw/zinc/84/96/22/1066849622.db2.gz XDPSKRUGIXJQQI-LJQANCHMSA-N 1 0 459.063 4.880 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC001492697618 1066849726 /nfs/dbraw/zinc/84/97/26/1066849726.db2.gz ANICCLWSQMAPMZ-ICSRJNTNSA-N 1 0 452.672 4.699 20 0 JJADRO Cc1[nH]nc(Br)c1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001457519662 1066850155 /nfs/dbraw/zinc/85/01/55/1066850155.db2.gz ZNBAWVZOLUPJFW-UHFFFAOYSA-N 1 0 453.384 4.673 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)s1 ZINC001492698613 1066852379 /nfs/dbraw/zinc/85/23/79/1066852379.db2.gz DYEXTZNIMQARNA-NRFANRHFSA-N 1 0 472.634 4.518 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)s1 ZINC001492698869 1066852830 /nfs/dbraw/zinc/85/28/30/1066852830.db2.gz OWSSEZHIXBNYIT-NRFANRHFSA-N 1 0 472.634 4.518 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001457538703 1066854979 /nfs/dbraw/zinc/85/49/79/1066854979.db2.gz YZNVPKYWRCLIGF-LJQANCHMSA-N 1 0 451.489 4.972 20 0 JJADRO CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)c2C1 ZINC001447794979 1066859592 /nfs/dbraw/zinc/85/95/92/1066859592.db2.gz FYHVLAHUYFVQAR-VQTJNVASSA-N 1 0 451.655 4.693 20 0 JJADRO COc1ccc(/C=C(\C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c2cccs2)cc1 ZINC001457561400 1066861287 /nfs/dbraw/zinc/86/12/87/1066861287.db2.gz ISKKGIUNVSZLPX-NKFKGCMQSA-N 1 0 454.636 4.696 20 0 JJADRO Cc1nccn1CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001492704721 1066863868 /nfs/dbraw/zinc/86/38/68/1066863868.db2.gz LLSIOAAVSKWHED-DEOSSOPVSA-N 1 0 469.722 4.800 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)[NH+](C)C ZINC001447811354 1066864442 /nfs/dbraw/zinc/86/44/42/1066864442.db2.gz BQNLDLAROPWZJO-DVECYGJZSA-N 1 0 451.611 4.709 20 0 JJADRO Cc1nccn1CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492705393 1066864626 /nfs/dbraw/zinc/86/46/26/1066864626.db2.gz DUEUDHMGIBBLEL-UHFFFAOYSA-N 1 0 485.080 4.537 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC001457568952 1066865384 /nfs/dbraw/zinc/86/53/84/1066865384.db2.gz YNDJTZIGOYPROA-GZOXUSKESA-N 1 0 451.611 4.944 20 0 JJADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)[NH+](C)C ZINC001447818797 1066865525 /nfs/dbraw/zinc/86/55/25/1066865525.db2.gz OGLGNARQGIVRQY-JIPXPUAJSA-N 1 0 453.590 4.723 20 0 JJADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC001457569243 1066865963 /nfs/dbraw/zinc/86/59/63/1066865963.db2.gz ZRLGPNSTJWUPOL-VXKWHMMOSA-N 1 0 455.602 4.850 20 0 JJADRO Cc1nccn1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001492707265 1066870719 /nfs/dbraw/zinc/87/07/19/1066870719.db2.gz PVKFIUJOUJZOFA-UHFFFAOYSA-N 1 0 456.038 4.504 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001457609769 1066877326 /nfs/dbraw/zinc/87/73/26/1066877326.db2.gz IQYKUJZGGSHERR-AREMUKBSSA-N 1 0 450.671 4.950 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCc2nn(C)cc21)[NH+](C)C ZINC001457610947 1066878026 /nfs/dbraw/zinc/87/80/26/1066878026.db2.gz IFXCBBOTOVFBDR-JTSKRJEESA-N 1 0 451.442 4.762 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)cc2C1 ZINC001457617862 1066881130 /nfs/dbraw/zinc/88/11/30/1066881130.db2.gz ZPTKQLYCOKWIML-XMMPIXPASA-N 1 0 455.643 4.754 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001447956331 1066882200 /nfs/dbraw/zinc/88/22/00/1066882200.db2.gz BWHFGMCFYSAACF-QFBILLFUSA-N 1 0 457.537 4.556 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)C[NH+](C)C ZINC001492716954 1066883235 /nfs/dbraw/zinc/88/32/35/1066883235.db2.gz FAZAHSALVXDHQS-UHFFFAOYSA-N 1 0 465.690 4.817 20 0 JJADRO CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001546001579 1066883343 /nfs/dbraw/zinc/88/33/43/1066883343.db2.gz PMOPBPCTMCJVTB-OAQYLSRUSA-N 1 0 459.063 4.798 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001492717794 1066884798 /nfs/dbraw/zinc/88/47/98/1066884798.db2.gz WJDLOMBMWKNNCP-NRFANRHFSA-N 1 0 497.663 4.808 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@@H+](C)C(C)C ZINC001492717544 1066884901 /nfs/dbraw/zinc/88/49/01/1066884901.db2.gz UGFYAUIVWRNSFI-UHFFFAOYSA-N 1 0 469.703 4.602 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2F)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001492718664 1066887279 /nfs/dbraw/zinc/88/72/79/1066887279.db2.gz NXRGDXMOERWNES-UZTOHYMASA-N 1 0 481.664 4.505 20 0 JJADRO Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492720479 1066890044 /nfs/dbraw/zinc/89/00/44/1066890044.db2.gz PUWANIHTVBEUFS-OAQYLSRUSA-N 1 0 497.663 4.514 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC001457646318 1066890350 /nfs/dbraw/zinc/89/03/50/1066890350.db2.gz IHKAKNRSVFUDAC-OAQYLSRUSA-N 1 0 456.030 4.551 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001448021113 1066890802 /nfs/dbraw/zinc/89/08/02/1066890802.db2.gz FKPDNORCBXRVAX-LEWJYISDSA-N 1 0 456.455 4.967 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001448029178 1066892152 /nfs/dbraw/zinc/89/21/52/1066892152.db2.gz QLWZEKONZWLCSM-AOMKIAJQSA-N 1 0 455.400 4.673 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)Cc1csc(NC2(C)CCCC2)n1)c1cccc(C(F)(F)F)c1 ZINC001448062376 1066895102 /nfs/dbraw/zinc/89/51/02/1066895102.db2.gz HWDSYEWEGQVUQS-GOSISDBHSA-N 1 0 454.562 4.868 20 0 JJADRO Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448069509 1066896205 /nfs/dbraw/zinc/89/62/05/1066896205.db2.gz SWIDBCIQALAWNO-LJQANCHMSA-N 1 0 450.892 4.886 20 0 JJADRO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448070770 1066896221 /nfs/dbraw/zinc/89/62/21/1066896221.db2.gz WRWKJRSIUFJFOZ-SFHVURJKSA-N 1 0 459.553 4.755 20 0 JJADRO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C[NH+](C)C)ccn2)c(OC)c1 ZINC001457683075 1066896617 /nfs/dbraw/zinc/89/66/17/1066896617.db2.gz IXIOPAPGCQETQE-UHFFFAOYSA-N 1 0 458.562 4.880 20 0 JJADRO CC(C)[NH+](CCCNC(=O)c1cc(I)cc(C(F)(F)F)c1)C(C)C ZINC001457681180 1066896683 /nfs/dbraw/zinc/89/66/83/1066896683.db2.gz NCGBMVKUTONJML-UHFFFAOYSA-N 1 0 456.290 4.549 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001492730781 1066901010 /nfs/dbraw/zinc/90/10/10/1066901010.db2.gz DCCTVBCXRQDFEU-DEOSSOPVSA-N 1 0 484.092 4.907 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)[NH+]3CCC(C)CC3)C2)n1 ZINC001492730705 1066901035 /nfs/dbraw/zinc/90/10/35/1066901035.db2.gz BQTUUMUNADGTMB-PKTZIBPZSA-N 1 0 455.695 4.642 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001448126012 1066902536 /nfs/dbraw/zinc/90/25/36/1066902536.db2.gz SYQZULJSRMSQRC-VXNXHJTFSA-N 1 0 457.659 4.542 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@H](c2c(F)cccc2F)N(C)C)n1 ZINC001492732120 1066903636 /nfs/dbraw/zinc/90/36/36/1066903636.db2.gz JMEJGUBUEDFLHC-NQIIRXRSSA-N 1 0 483.567 4.511 20 0 JJADRO Cc1ncc2n1CC[C@@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C)C2 ZINC001457717045 1066903766 /nfs/dbraw/zinc/90/37/66/1066903766.db2.gz VLYAVMZIGYBAEC-GCJKJVERSA-N 1 0 451.442 4.676 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3C)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492732978 1066906466 /nfs/dbraw/zinc/90/64/66/1066906466.db2.gz YVNAUNBTZZMKBS-HSZRJFAPSA-N 1 0 463.674 4.910 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n2CCC(C)(F)F)n1 ZINC001492733266 1066906912 /nfs/dbraw/zinc/90/69/12/1066906912.db2.gz GPPZDQOXZRQTQR-NZQKXSOJSA-N 1 0 485.627 4.674 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001492733726 1066907633 /nfs/dbraw/zinc/90/76/33/1066907633.db2.gz RKFFNFYQKXVPGJ-YKSBVNFPSA-N 1 0 455.695 4.809 20 0 JJADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2ccc(Br)cc2C(F)(F)F)cc1 ZINC001457738012 1066907662 /nfs/dbraw/zinc/90/76/62/1066907662.db2.gz FRUZHXVMQLHFFX-GOSISDBHSA-N 1 0 459.306 4.832 20 0 JJADRO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)c1ccc(OCC2CC2)c(F)c1 ZINC001457743856 1066909312 /nfs/dbraw/zinc/90/93/12/1066909312.db2.gz WLGGHNVSJIBEEW-GOSISDBHSA-N 1 0 450.558 4.531 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492735672 1066910259 /nfs/dbraw/zinc/91/02/59/1066910259.db2.gz FMVXRHQWBLWKHU-KDURUIRLSA-N 1 0 499.654 4.811 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492736408 1066911704 /nfs/dbraw/zinc/91/17/04/1066911704.db2.gz FXJYXRBQHOSGFT-NRFANRHFSA-N 1 0 470.065 4.550 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2c(F)ccc(F)c2Cl)cc1Cl ZINC001457752157 1066911682 /nfs/dbraw/zinc/91/16/82/1066911682.db2.gz GURHLNUXXWAHEQ-UHFFFAOYSA-N 1 0 458.336 4.986 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)cc1Cl ZINC001457752852 1066911915 /nfs/dbraw/zinc/91/19/15/1066911915.db2.gz LHKGPKMOBWBWMH-FEHRVWHQSA-N 1 0 459.993 4.810 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CC=CCC3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001492737971 1066913204 /nfs/dbraw/zinc/91/32/04/1066913204.db2.gz JMNPASPMBZEHGB-DEOSSOPVSA-N 1 0 467.706 4.690 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001448238444 1066914047 /nfs/dbraw/zinc/91/40/47/1066914047.db2.gz ZXOIYHAPLAMBJR-QFIPXVFZSA-N 1 0 454.412 4.890 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)n1 ZINC001492741372 1066917072 /nfs/dbraw/zinc/91/70/72/1066917072.db2.gz ZCOUBEPKIANYHX-QHCPKHFHSA-N 1 0 479.604 4.590 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)cc2C1 ZINC001457775854 1066917403 /nfs/dbraw/zinc/91/74/03/1066917403.db2.gz XCNCMMIVIZPXCF-UHFFFAOYSA-N 1 0 455.643 4.756 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492742092 1066917852 /nfs/dbraw/zinc/91/78/52/1066917852.db2.gz LOXWJLZIHDALOV-WMZHIEFXSA-N 1 0 455.695 4.523 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492742542 1066918114 /nfs/dbraw/zinc/91/81/14/1066918114.db2.gz DUCDMGODJZZFOO-OAQYLSRUSA-N 1 0 467.706 4.834 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)n2CCCC(F)(F)F)n1 ZINC001492745030 1066920602 /nfs/dbraw/zinc/92/06/02/1066920602.db2.gz FPLFXQXFKOMCIZ-HXUWFJFHSA-N 1 0 489.590 4.583 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCCCC[NH+]2CCCCC2)n1 ZINC001492745864 1066921320 /nfs/dbraw/zinc/92/13/20/1066921320.db2.gz ZRCFBSOWZFAIGS-UHFFFAOYSA-N 1 0 495.638 4.965 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCc4c(F)cc(F)cc4[C@@H]3C)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492748154 1066922987 /nfs/dbraw/zinc/92/29/87/1066922987.db2.gz YCLKNXXTEPXYRU-FQEVSTJZSA-N 1 0 485.627 4.660 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCc4c(F)cc(F)cc4[C@H]3C)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492748155 1066923021 /nfs/dbraw/zinc/92/30/21/1066923021.db2.gz YCLKNXXTEPXYRU-HXUWFJFHSA-N 1 0 485.627 4.660 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492748881 1066923429 /nfs/dbraw/zinc/92/34/29/1066923429.db2.gz QASAOGJOTVQRRD-ZEQRLZLVSA-N 1 0 455.695 4.523 20 0 JJADRO CC(C)[C@@H](NC(=O)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437185 1066927272 /nfs/dbraw/zinc/92/72/72/1066927272.db2.gz JUCGNRLTJRFRDB-DHIUTWEWSA-N 1 0 457.590 4.664 20 0 JJADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001457825799 1066928894 /nfs/dbraw/zinc/92/88/94/1066928894.db2.gz PPTXMRLLJQRHLL-AKIFATBCSA-N 1 0 461.622 4.547 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(-c4ccccn4)n3CCC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001492759061 1066930500 /nfs/dbraw/zinc/93/05/00/1066930500.db2.gz VEDNNZQWQKEPIE-UHFFFAOYSA-N 1 0 478.689 4.579 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3C[C@@H](C3CCCCC3)[NH+](C)C)CC2)n1 ZINC001492758981 1066931548 /nfs/dbraw/zinc/93/15/48/1066931548.db2.gz ROEOIBTXEUPIRC-VWLOTQADSA-N 1 0 469.722 4.717 20 0 JJADRO Cc1cc(C)n(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001492760802 1066933369 /nfs/dbraw/zinc/93/33/69/1066933369.db2.gz SGQZTSXXOMPVBS-XMMPIXPASA-N 1 0 493.700 4.859 20 0 JJADRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3c(F)c(F)c(Br)c(F)c3F)c2)C1 ZINC001457881550 1066935411 /nfs/dbraw/zinc/93/54/11/1066935411.db2.gz WQXNPSMSDYHWAR-CYBMUJFWSA-N 1 0 459.281 4.745 20 0 JJADRO Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001492766086 1066938508 /nfs/dbraw/zinc/93/85/08/1066938508.db2.gz AULZJXDBGYPGRQ-JOCHJYFZSA-N 1 0 481.714 4.618 20 0 JJADRO Cc1nnc(CCCn2c(Cc3ccccc3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC001492766556 1066938989 /nfs/dbraw/zinc/93/89/89/1066938989.db2.gz POCCAMXSGCHUFH-UHFFFAOYSA-N 1 0 481.714 4.528 20 0 JJADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC001457914850 1066941076 /nfs/dbraw/zinc/94/10/76/1066941076.db2.gz MMAIYJHBXCMMSL-XMSQKQJNSA-N 1 0 460.525 4.671 20 0 JJADRO Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492775968 1066946494 /nfs/dbraw/zinc/94/64/94/1066946494.db2.gz NLNBNWSPOCDNOG-MOPGFXCFSA-N 1 0 466.424 4.860 20 0 JJADRO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)C/C(C)=C\c1ccccc1)[NH+]1CCCC1 ZINC001546008712 1066946875 /nfs/dbraw/zinc/94/68/75/1066946875.db2.gz VRDIBJDTVWNVSC-RNEGFDSTSA-N 1 0 461.658 4.554 20 0 JJADRO Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001492780453 1066947584 /nfs/dbraw/zinc/94/75/84/1066947584.db2.gz OPIICXOQQWTZMG-UHFFFAOYSA-N 1 0 483.554 4.664 20 0 JJADRO Cc1nnc(N(C)Cc2cc(Br)cs2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001492779737 1066947617 /nfs/dbraw/zinc/94/76/17/1066947617.db2.gz PEYVJLOGHJJCQZ-KRWDZBQOSA-N 1 0 466.474 4.946 20 0 JJADRO Cc1nnc(N(C)Cc2csc(Br)c2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492782785 1066948080 /nfs/dbraw/zinc/94/80/80/1066948080.db2.gz YZHRQPYYZMEQNA-GJZGRUSLSA-N 1 0 454.482 4.803 20 0 JJADRO Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492795387 1066950973 /nfs/dbraw/zinc/95/09/73/1066950973.db2.gz VLSNXLBRCLLIOF-JLTOFOAXSA-N 1 0 460.445 4.837 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001546095196 1066952310 /nfs/dbraw/zinc/95/23/10/1066952310.db2.gz IMCXQFVWBQMZAI-CPJSRVTESA-N 1 0 460.066 4.648 20 0 JJADRO Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001492799507 1066952484 /nfs/dbraw/zinc/95/24/84/1066952484.db2.gz GSUSJJLJEFJBOR-YKSBVNFPSA-N 1 0 460.066 4.558 20 0 JJADRO Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492799564 1066952515 /nfs/dbraw/zinc/95/25/15/1066952515.db2.gz IDHXCURUXWMFTN-AXHZCLLHSA-N 1 0 460.066 4.558 20 0 JJADRO Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492804980 1066954037 /nfs/dbraw/zinc/95/40/37/1066954037.db2.gz VSKWLIASHRSEOL-NHCUHLMSSA-N 1 0 490.737 4.816 20 0 JJADRO Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001492805076 1066954301 /nfs/dbraw/zinc/95/43/01/1066954301.db2.gz YKFGVZLTGUOQRY-FQEVSTJZSA-N 1 0 484.689 4.799 20 0 JJADRO Cc1nnc(N2CCC(OCCC(C)C)CC2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001492820844 1066954805 /nfs/dbraw/zinc/95/48/05/1066954805.db2.gz MRBNAWDFWQYJRU-DHLKQENFSA-N 1 0 453.675 4.919 20 0 JJADRO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001492832074 1066955245 /nfs/dbraw/zinc/95/52/45/1066955245.db2.gz YWJHJKMWZPXQTG-OAQYLSRUSA-N 1 0 482.673 4.864 20 0 JJADRO Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001492842212 1066956724 /nfs/dbraw/zinc/95/67/24/1066956724.db2.gz ANVRXCPYTMRACT-INIZCTEOSA-N 1 0 456.582 4.568 20 0 JJADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)NCC[N@H+]1CC=CCC1 ZINC001448783420 1066957612 /nfs/dbraw/zinc/95/76/12/1066957612.db2.gz ILKXMEMUUXVSGE-XPNTWCBSSA-N 1 0 458.668 4.774 20 0 JJADRO Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001492847979 1066957746 /nfs/dbraw/zinc/95/77/46/1066957746.db2.gz MDSVCAMQQBEENF-VWLOTQADSA-N 1 0 496.700 4.582 20 0 JJADRO Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001492944937 1066961120 /nfs/dbraw/zinc/96/11/20/1066961120.db2.gz VFTJVXYRPMUYLK-MOPGFXCFSA-N 1 0 466.438 4.836 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC001458055953 1066962894 /nfs/dbraw/zinc/96/28/94/1066962894.db2.gz DGHWVWCWTZMFIF-ICSRJNTNSA-N 1 0 456.512 4.922 20 0 JJADRO CC(C)(C)OC(=O)C1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001458057531 1066963670 /nfs/dbraw/zinc/96/36/70/1066963670.db2.gz MDCSJKNHGKDPFX-ZOOXZOTBSA-N 1 0 454.655 4.942 20 0 JJADRO COc1cccc(C(=O)c2ccc(C(=O)NCC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458061999 1066965039 /nfs/dbraw/zinc/96/50/39/1066965039.db2.gz XCPZUGQGPBOQSF-GMAHTHKFSA-N 1 0 456.586 4.957 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2sc(C)nc2CC(C)C)ccc1Cl ZINC001458066203 1066965845 /nfs/dbraw/zinc/96/58/45/1066965845.db2.gz FJHIXOXMNNPIPW-UHFFFAOYSA-N 1 0 451.036 4.627 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)/C=C/c2ccc3ccccc3n2)ccc1Cl ZINC001458075421 1066968159 /nfs/dbraw/zinc/96/81/59/1066968159.db2.gz KCIHHEIBYYTEIH-WYMLVPIESA-N 1 0 450.970 4.612 20 0 JJADRO CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+]1CCCC1 ZINC001546010505 1066969573 /nfs/dbraw/zinc/96/95/73/1066969573.db2.gz MVHFXXDLUVMNCL-FIPFOOKPSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001458093042 1066972712 /nfs/dbraw/zinc/97/27/12/1066972712.db2.gz ILZSSWQLVITOCG-LJQANCHMSA-N 1 0 459.928 4.726 20 0 JJADRO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001545719118 1066972655 /nfs/dbraw/zinc/97/26/55/1066972655.db2.gz BEZOLXSBROGNJJ-CQSBDTAJSA-N 1 0 494.728 4.968 20 0 JJADRO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545719749 1066973500 /nfs/dbraw/zinc/97/35/00/1066973500.db2.gz LMGLQOYFJSRTIP-ZXPQVUNLSA-N 1 0 494.728 4.824 20 0 JJADRO CC[C@@H](c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545719968 1066973911 /nfs/dbraw/zinc/97/39/11/1066973911.db2.gz PIRWTZMUMACAJW-BGWNEDDSSA-N 1 0 463.674 4.798 20 0 JJADRO CC[NH+]1CCN(Cc2ccccc2CNc2nnc(-c3ccccc3)cc2C(F)(F)F)CC1 ZINC001458099465 1066974843 /nfs/dbraw/zinc/97/48/43/1066974843.db2.gz OELLECPWVPNKHY-UHFFFAOYSA-N 1 0 455.528 4.912 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OC ZINC001458100049 1066975045 /nfs/dbraw/zinc/97/50/45/1066975045.db2.gz YSVLMQPOHFBXKE-LFIBNONCSA-N 1 0 451.611 4.716 20 0 JJADRO CC[C@H](c1nnc(N(C)[C@@H]2CCSC2)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545720476 1066974935 /nfs/dbraw/zinc/97/49/35/1066974935.db2.gz XQHAPYFMUVJLFI-RTWAWAEBSA-N 1 0 459.729 4.589 20 0 JJADRO CC(C)Cc1ncnc(NCc2ccccc2C[N@H+](C)C(C)C)c1I ZINC001458099126 1066975116 /nfs/dbraw/zinc/97/51/16/1066975116.db2.gz MGMJZODFSIHYMX-UHFFFAOYSA-N 1 0 452.384 4.732 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC(=O)N2CC(C3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001448984921 1066975293 /nfs/dbraw/zinc/97/52/93/1066975293.db2.gz BXYYGYBHRVXZPB-UHFFFAOYSA-N 1 0 455.643 4.585 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545721747 1066976426 /nfs/dbraw/zinc/97/64/26/1066976426.db2.gz GGWGXLUSPAQIGG-WMZHIEFXSA-N 1 0 453.034 4.989 20 0 JJADRO CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546010965 1066976993 /nfs/dbraw/zinc/97/69/93/1066976993.db2.gz VVQKZBXHNCLUJC-ISKFKSNPSA-N 1 0 469.674 4.824 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545722550 1066978128 /nfs/dbraw/zinc/97/81/28/1066978128.db2.gz WIWGVQOCZIEVJM-LAUBAEHRSA-N 1 0 489.590 4.691 20 0 JJADRO CC[C@@H](c1nnc(N(C)CC2CCCCC2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001545724906 1066981983 /nfs/dbraw/zinc/98/19/83/1066981983.db2.gz ZLGIYTICIWLPBC-XMMPIXPASA-N 1 0 453.675 4.947 20 0 JJADRO Cc1cc(NC(=O)c2c(F)cccc2Br)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001458124289 1066982690 /nfs/dbraw/zinc/98/26/90/1066982690.db2.gz KHSATBLAZAFDRY-QGZVFWFLSA-N 1 0 457.347 4.792 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@H]2CCCO2)n1C[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC001545726484 1066983410 /nfs/dbraw/zinc/98/34/10/1066983410.db2.gz QUUXWBLSODFVOU-DNVJHFABSA-N 1 0 453.656 4.800 20 0 JJADRO CC[C@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545726822 1066984314 /nfs/dbraw/zinc/98/43/14/1066984314.db2.gz XWGYGTTXOJPSAA-DEOSSOPVSA-N 1 0 483.701 4.777 20 0 JJADRO CC[C@]1(C)CN(c2nnc(Cc3ccsc3)n2Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC001546097341 1066985249 /nfs/dbraw/zinc/98/52/49/1066985249.db2.gz IXEHMFPGDVOMEF-AREMUKBSSA-N 1 0 467.683 4.824 20 0 JJADRO C[NH+](C)C[C@H](CNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)cc1 ZINC001449154128 1066985349 /nfs/dbraw/zinc/98/53/49/1066985349.db2.gz DQYGIGZNGCOCNV-HNNXBMFYSA-N 1 0 451.785 4.908 20 0 JJADRO C[NH+](C)C[C@@H](CNC(=O)c1cc2c(cncc2Br)s1)c1ccc(Cl)cc1 ZINC001449158996 1066986191 /nfs/dbraw/zinc/98/61/91/1066986191.db2.gz JJSFJYKBEZASLZ-CYBMUJFWSA-N 1 0 452.805 4.787 20 0 JJADRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccc(C)s4)C3)n2)n1 ZINC001449170666 1066987041 /nfs/dbraw/zinc/98/70/41/1066987041.db2.gz HTMHRRQHVHHGMH-GOSISDBHSA-N 1 0 458.031 4.502 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545731155 1066989773 /nfs/dbraw/zinc/98/97/73/1066989773.db2.gz KVQNTSRGPOKKLP-PIATZUFCSA-N 1 0 471.715 4.651 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731386 1066990733 /nfs/dbraw/zinc/99/07/33/1066990733.db2.gz NRRNIGFVHBRNTM-HKTPZVOJSA-N 1 0 453.675 4.680 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1csc([C@H](C)OC)n1)c1ccccc1 ZINC001545731949 1066992615 /nfs/dbraw/zinc/99/26/15/1066992615.db2.gz VOQOHMGISFNWMM-FAKFISEUSA-N 1 0 482.698 4.951 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)CSc1nc(-c2cccc(C)c2)no1)c1ccc(Cl)cc1 ZINC001449263552 1066993756 /nfs/dbraw/zinc/99/37/56/1066993756.db2.gz KAWTXLRFZXFNDI-FQEVSTJZSA-N 1 0 459.015 4.990 20 0 JJADRO Ic1ccc2ncnc(NC[C@H]3CCC[N@@H+]3CC3CCCCC3)c2c1 ZINC001458166786 1066994449 /nfs/dbraw/zinc/99/44/49/1066994449.db2.gz NGSSCWBKPINQPJ-QGZVFWFLSA-N 1 0 450.368 4.691 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(C)C)CC2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545734040 1066994489 /nfs/dbraw/zinc/99/44/89/1066994489.db2.gz MIDHAZBQMMNWDN-AREMUKBSSA-N 1 0 466.718 4.720 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(C)o1)[NH+]1CCCC1 ZINC001546012886 1066996197 /nfs/dbraw/zinc/99/61/97/1066996197.db2.gz QJFQIYIKWDGGKV-HXUWFJFHSA-N 1 0 458.006 4.923 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC001545733928 1066996397 /nfs/dbraw/zinc/99/63/97/1066996397.db2.gz KPZZXIYSXXQDMH-CLJLJLNGSA-N 1 0 480.745 4.966 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)OC)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734575 1066998074 /nfs/dbraw/zinc/99/80/74/1066998074.db2.gz VZEHZCCHLRDYQC-OTNCWRBYSA-N 1 0 481.685 4.577 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCC=C(Br)C1)[NH+]1CCCC1 ZINC001546013071 1066998373 /nfs/dbraw/zinc/99/83/73/1066998373.db2.gz UGYTVWCWCFJKJQ-FQEVSTJZSA-N 1 0 474.447 4.529 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1CCC1CC[NH+](CC)CC1)c1ccccc1 ZINC001545735812 1066998885 /nfs/dbraw/zinc/99/88/85/1066998885.db2.gz HGJDGZAWKIRPBS-NQHRYMMQSA-N 1 0 453.675 4.803 20 0 JJADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001449333649 1067000907 /nfs/dbraw/zinc/00/09/07/1067000907.db2.gz UNORVMQNGYTMIN-QHCPKHFHSA-N 1 0 455.643 4.537 20 0 JJADRO O=C(/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001449361583 1067004005 /nfs/dbraw/zinc/00/40/05/1067004005.db2.gz LDDYBDBLLQYBGK-BQMBHYSLSA-N 1 0 456.533 4.542 20 0 JJADRO O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001449361589 1067004142 /nfs/dbraw/zinc/00/41/42/1067004142.db2.gz LDDYBDBLLQYBGK-KZTRRMFKSA-N 1 0 456.533 4.542 20 0 JJADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001449365722 1067004499 /nfs/dbraw/zinc/00/44/99/1067004499.db2.gz DYNLSWUWAJZWBY-LJQANCHMSA-N 1 0 452.396 4.915 20 0 JJADRO O=C(c1ccc(Oc2cccc(Cl)c2Cl)nc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001449366347 1067004811 /nfs/dbraw/zinc/00/48/11/1067004811.db2.gz YMAZSAZFPYPBKB-QGZVFWFLSA-N 1 0 450.366 4.508 20 0 JJADRO CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001449375115 1067005349 /nfs/dbraw/zinc/00/53/49/1067005349.db2.gz RJMBPGJBGUFARG-FQEVSTJZSA-N 1 0 456.455 4.744 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545740932 1067006530 /nfs/dbraw/zinc/00/65/30/1067006530.db2.gz GPHXQVMRPPTVRE-RBJSKKJNSA-N 1 0 479.669 4.904 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001545741383 1067007879 /nfs/dbraw/zinc/00/78/79/1067007879.db2.gz PGEJPIVYENCTKW-GHTZIAJQSA-N 1 0 489.590 4.827 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001545741386 1067007891 /nfs/dbraw/zinc/00/78/91/1067007891.db2.gz PGEJPIVYENCTKW-WIYYLYMNSA-N 1 0 489.590 4.827 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545741691 1067008081 /nfs/dbraw/zinc/00/80/81/1067008081.db2.gz VJBPZTBNFUONKY-RUZDIDTESA-N 1 0 480.701 4.580 20 0 JJADRO CC[C@H](c1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001545741488 1067008093 /nfs/dbraw/zinc/00/80/93/1067008093.db2.gz RCWKCXJXALJTNI-XXBNENTESA-N 1 0 494.709 4.539 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001545741808 1067008650 /nfs/dbraw/zinc/00/86/50/1067008650.db2.gz WTTFPTQEDFGKPX-KOVSNXQUSA-N 1 0 498.716 4.900 20 0 JJADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1CC)[NH+]1CCCC1 ZINC001546014580 1067010444 /nfs/dbraw/zinc/01/04/44/1067010444.db2.gz LAKLFYSWJMWJIK-VNXMGFANSA-N 1 0 474.694 4.548 20 0 JJADRO CC[C@@H](c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545743811 1067010467 /nfs/dbraw/zinc/01/04/67/1067010467.db2.gz RHKBJSDJROQJSG-XMMPIXPASA-N 1 0 475.685 4.574 20 0 JJADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001545743887 1067010714 /nfs/dbraw/zinc/01/07/14/1067010714.db2.gz SLNYTXSCZGOBSA-URXFXBBRSA-N 1 0 475.685 4.574 20 0 JJADRO CC[C@H](Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC001546014709 1067011233 /nfs/dbraw/zinc/01/12/33/1067011233.db2.gz MTHKVKOASMUFKY-VSKRKVRLSA-N 1 0 455.647 4.755 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2oncc2C1)[NH+](C)C ZINC001545744136 1067011354 /nfs/dbraw/zinc/01/13/54/1067011354.db2.gz WXJRKVIMQHWYBM-PKTZIBPZSA-N 1 0 450.631 4.737 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2oncc2C1)[NH+](C)C ZINC001545744137 1067011361 /nfs/dbraw/zinc/01/13/61/1067011361.db2.gz WXJRKVIMQHWYBM-XZOQPEGZSA-N 1 0 450.631 4.737 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1C[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545745568 1067012018 /nfs/dbraw/zinc/01/20/18/1067012018.db2.gz CPHAGGPPNCCYQC-UBFVSLLYSA-N 1 0 477.701 4.914 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545745657 1067012363 /nfs/dbraw/zinc/01/23/63/1067012363.db2.gz DUYJHVWHJQZXHI-BFLUCZKCSA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@@H](Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001546015123 1067013144 /nfs/dbraw/zinc/01/31/44/1067013144.db2.gz UUWGDQHHCUFDNY-MOPGFXCFSA-N 1 0 481.563 4.519 20 0 JJADRO CC[C@@H](Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1)[NH+]1CCCC1 ZINC001546015412 1067014480 /nfs/dbraw/zinc/01/44/80/1067014480.db2.gz ZQLMYAQYQIOYRQ-LVXARBLLSA-N 1 0 487.714 4.849 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccccc1 ZINC001449574033 1067015236 /nfs/dbraw/zinc/01/52/36/1067015236.db2.gz CJMBRMHJYAFRNG-GOTSBHOMSA-N 1 0 457.659 4.954 20 0 JJADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)c(C)n1CC1CC1 ZINC001449602233 1067017370 /nfs/dbraw/zinc/01/73/70/1067017370.db2.gz RDWHEAYLKYMUMI-INIZCTEOSA-N 1 0 459.432 4.670 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545748502 1067017331 /nfs/dbraw/zinc/01/73/31/1067017331.db2.gz BHHVCAWXHVIMTN-OEMFJLHTSA-N 1 0 482.717 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1)c1ccccc1 ZINC001545748493 1067017614 /nfs/dbraw/zinc/01/76/14/1067017614.db2.gz BFFTUXXLNICPAR-BJKOFHAPSA-N 1 0 451.659 4.866 20 0 JJADRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001458274799 1067018967 /nfs/dbraw/zinc/01/89/67/1067018967.db2.gz HIWXLHXPHTYXGX-FQESCDNSSA-N 1 0 452.595 4.995 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545749381 1067019744 /nfs/dbraw/zinc/01/97/44/1067019744.db2.gz NHHMIWAYDCKPRU-GMKZXUHWSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001545749815 1067021219 /nfs/dbraw/zinc/02/12/19/1067021219.db2.gz UKSNDTCQSYCNFJ-ICDZXHCJSA-N 1 0 494.728 4.683 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545750045 1067021772 /nfs/dbraw/zinc/02/17/72/1067021772.db2.gz XJUZITTXFRDXNG-LGPLSSKUSA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1(C)CCOCC1)c1ccccc1 ZINC001545751378 1067024150 /nfs/dbraw/zinc/02/41/50/1067024150.db2.gz DVUWOQQVWNDLLG-QHCPKHFHSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC)c1ccccc1 ZINC001545751630 1067024500 /nfs/dbraw/zinc/02/45/00/1067024500.db2.gz JDVCETDRQKGMLC-UIOOFZCWSA-N 1 0 494.728 4.779 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccs1)[NH+]1CCCC1 ZINC001546017025 1067025747 /nfs/dbraw/zinc/02/57/47/1067025747.db2.gz NQKRMWLUQGFTRS-FPOVZHCZSA-N 1 0 488.702 4.922 20 0 JJADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCCC1 ZINC001546017251 1067026469 /nfs/dbraw/zinc/02/64/69/1067026469.db2.gz RATCRSNAIOXNMH-FNAHDJPLSA-N 1 0 474.694 4.550 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001546017188 1067026533 /nfs/dbraw/zinc/02/65/33/1067026533.db2.gz PVMQWKOFFJVGCW-MBDNFAEBSA-N 1 0 474.694 4.707 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545753939 1067029811 /nfs/dbraw/zinc/02/98/11/1067029811.db2.gz BDMPJSSRLGPYBB-IRLDBZIGSA-N 1 0 479.591 4.711 20 0 JJADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001449805208 1067030199 /nfs/dbraw/zinc/03/01/99/1067030199.db2.gz XZCYTZOOLFKXBO-IBGZPJMESA-N 1 0 453.435 4.862 20 0 JJADRO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC001449828059 1067030840 /nfs/dbraw/zinc/03/08/40/1067030840.db2.gz VMTDKLIXEMGYMG-UHFFFAOYSA-N 1 0 451.327 4.788 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545754647 1067031203 /nfs/dbraw/zinc/03/12/03/1067031203.db2.gz RRLIUFNKGUYWNA-UPVQGACJSA-N 1 0 498.716 4.996 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756168 1067032833 /nfs/dbraw/zinc/03/28/33/1067032833.db2.gz BVLARBUGOKJNGS-GGAORHGYSA-N 1 0 484.689 4.511 20 0 JJADRO CC[C@H](c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545756261 1067033416 /nfs/dbraw/zinc/03/34/16/1067033416.db2.gz DQVJFFWRFGSMEK-DEOSSOPVSA-N 1 0 495.741 4.950 20 0 JJADRO CC[C@H](c1nnc(N2CCN(c3cccs3)CC2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545756708 1067034437 /nfs/dbraw/zinc/03/44/37/1067034437.db2.gz MGXYNUAWXAOUFE-QHCPKHFHSA-N 1 0 466.699 4.938 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001545757491 1067035790 /nfs/dbraw/zinc/03/57/90/1067035790.db2.gz ZWHIRUVLRJSYPK-QPPBQGQZSA-N 1 0 496.103 4.925 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545758159 1067036122 /nfs/dbraw/zinc/03/61/22/1067036122.db2.gz ASPNJLXQBPKILA-YMPZKCBVSA-N 1 0 492.634 4.767 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCc1sc(C)nc1C)c1ccccc1 ZINC001545758259 1067037000 /nfs/dbraw/zinc/03/70/00/1067037000.db2.gz CVXCAZUPWFWULN-QHCPKHFHSA-N 1 0 466.699 4.914 20 0 JJADRO C[C@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001458345962 1067037429 /nfs/dbraw/zinc/03/74/29/1067037429.db2.gz DEIDIOSVLLKNQG-REWPJTCUSA-N 1 0 451.611 4.993 20 0 JJADRO C[C@@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001458345952 1067037450 /nfs/dbraw/zinc/03/74/50/1067037450.db2.gz DEIDIOSVLLKNQG-NFBKMPQASA-N 1 0 451.611 4.993 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1CC1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545758496 1067038457 /nfs/dbraw/zinc/03/84/57/1067038457.db2.gz IEYYSQXJUABSBW-CNXCYTMISA-N 1 0 483.701 4.571 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1cnn(CC(C)C)c1C)c1ccccc1 ZINC001545758596 1067039107 /nfs/dbraw/zinc/03/91/07/1067039107.db2.gz JKAYLJAHEYWMBS-PXDATVDWSA-N 1 0 463.674 4.560 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545758706 1067039941 /nfs/dbraw/zinc/03/99/41/1067039941.db2.gz LQLBCUZNFHABJZ-HSZRJFAPSA-N 1 0 482.717 4.541 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCC1(COC)CCCC1)c1ccccc1 ZINC001545759250 1067041514 /nfs/dbraw/zinc/04/15/14/1067041514.db2.gz VDOUSNLLYCNTHG-ISKFKSNPSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1)c1ccccc1 ZINC001545759344 1067041888 /nfs/dbraw/zinc/04/18/88/1067041888.db2.gz WPUFIAUHQHKGRY-LBNVMWSVSA-N 1 0 467.702 4.929 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](CC)[C@H](C)C1)Oc1cccc(F)c1 ZINC001546019109 1067044788 /nfs/dbraw/zinc/04/47/88/1067044788.db2.gz OLDSVRWKZSVYKY-NZRJUOQRSA-N 1 0 487.664 4.724 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545761792 1067045608 /nfs/dbraw/zinc/04/56/08/1067045608.db2.gz XGDRGLPIZXAQFY-LXHIVTORSA-N 1 0 453.675 4.944 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2ncnc3c2c(Br)nn3C(C)(C)C)CC1 ZINC001458375727 1067045842 /nfs/dbraw/zinc/04/58/42/1067045842.db2.gz FVJWZARTTFLZRV-UHFFFAOYSA-N 1 0 451.457 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545763305 1067047201 /nfs/dbraw/zinc/04/72/01/1067047201.db2.gz GTBBKYWMEMMRKW-ZBAJWAEMSA-N 1 0 497.728 4.962 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@](C)(CC)C2)n1CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC001545763550 1067047419 /nfs/dbraw/zinc/04/74/19/1067047419.db2.gz KBGLNUCNMAGEFX-YIXXDRMTSA-N 1 0 453.675 4.947 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)cc2)CC1 ZINC001458386333 1067047928 /nfs/dbraw/zinc/04/79/28/1067047928.db2.gz PMWYBEBWHCOKIM-UHFFFAOYSA-N 1 0 457.500 4.674 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Br)cc2)CC1 ZINC001458387422 1067048010 /nfs/dbraw/zinc/04/80/10/1067048010.db2.gz SMYFPAGVDUWEGH-UHFFFAOYSA-N 1 0 450.808 4.814 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CN(C(=O)OC(C)(C)C)C(C)C ZINC001450107378 1067050036 /nfs/dbraw/zinc/05/00/36/1067050036.db2.gz AWUVBNNUPCANKT-XMMPIXPASA-N 1 0 459.675 4.824 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001545765838 1067050641 /nfs/dbraw/zinc/05/06/41/1067050641.db2.gz IULSEEIYUZBSSX-VWNXMTODSA-N 1 0 496.700 4.798 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1noc(-c2ccc(F)cc2)n1 ZINC001450123321 1067051248 /nfs/dbraw/zinc/05/12/48/1067051248.db2.gz YUVAASYPNPFGOU-QHCPKHFHSA-N 1 0 450.558 4.681 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C[C@H]3OCc4cc(Cl)ccc43)cc2)C[C@H]1C ZINC001458398356 1067051814 /nfs/dbraw/zinc/05/18/14/1067051814.db2.gz RVIACANYHCXJNB-HHJKRLRDSA-N 1 0 457.014 4.627 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C[C@H]3OCc4cc(Cl)ccc43)cc2)C[C@H]1C ZINC001458398360 1067052010 /nfs/dbraw/zinc/05/20/10/1067052010.db2.gz RVIACANYHCXJNB-MPCDZSKCSA-N 1 0 457.014 4.627 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545768388 1067054281 /nfs/dbraw/zinc/05/42/81/1067054281.db2.gz UXWMCZCQNWKRKV-JWZKTCGFSA-N 1 0 496.700 4.654 20 0 JJADRO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)SC ZINC001545770943 1067056634 /nfs/dbraw/zinc/05/66/34/1067056634.db2.gz AISSJLZQGXLTRD-WMZOPIPTSA-N 1 0 495.535 4.641 20 0 JJADRO CCC(CC)(Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)OC ZINC001545771450 1067058553 /nfs/dbraw/zinc/05/85/53/1067058553.db2.gz PLXWDSDZAUCLEY-NHCUHLMSSA-N 1 0 473.637 4.827 20 0 JJADRO CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001546020534 1067060689 /nfs/dbraw/zinc/06/06/89/1067060689.db2.gz INUWDPNJWHOQGR-XWGVYQGASA-N 1 0 469.674 4.507 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001450224492 1067061221 /nfs/dbraw/zinc/06/12/21/1067061221.db2.gz DZFYAAKUKOAPJL-BJKOFHAPSA-N 1 0 469.670 4.975 20 0 JJADRO CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)SC ZINC001545772689 1067061357 /nfs/dbraw/zinc/06/13/57/1067061357.db2.gz JAZOCYZUODMDCA-GOSISDBHSA-N 1 0 466.095 4.677 20 0 JJADRO COc1ccc(Br)cc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458447261 1067062910 /nfs/dbraw/zinc/06/29/10/1067062910.db2.gz KPYREPLZYHWMJK-YJYMSZOUSA-N 1 0 455.755 4.673 20 0 JJADRO CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC001450259472 1067065280 /nfs/dbraw/zinc/06/52/80/1067065280.db2.gz FOKHNXIROLUPKS-RUZDIDTESA-N 1 0 458.603 4.939 20 0 JJADRO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)OC ZINC001545777612 1067071470 /nfs/dbraw/zinc/07/14/70/1067071470.db2.gz HQKVDELDXSBSLL-JOCHJYFZSA-N 1 0 464.658 4.590 20 0 JJADRO CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@@H+](C(C)C)CC1)OC ZINC001545779387 1067074186 /nfs/dbraw/zinc/07/41/86/1067074186.db2.gz MSXLENYWKCULCR-UHFFFAOYSA-N 1 0 452.647 4.563 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001546101391 1067074477 /nfs/dbraw/zinc/07/44/77/1067074477.db2.gz CERTYPRKPIUDIC-WZOHSFFVSA-N 1 0 476.065 4.636 20 0 JJADRO CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC001545784673 1067081494 /nfs/dbraw/zinc/08/14/94/1067081494.db2.gz YHWPAZZKWFTUHD-DEOSSOPVSA-N 1 0 469.674 4.826 20 0 JJADRO CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1)SC ZINC001545786666 1067082714 /nfs/dbraw/zinc/08/27/14/1067082714.db2.gz ULKGZWCLATWSJC-NRFANRHFSA-N 1 0 475.678 4.555 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCC2)CC1)OC ZINC001545787920 1067083188 /nfs/dbraw/zinc/08/31/88/1067083188.db2.gz BPUGLCFNKADWTR-UHFFFAOYSA-N 1 0 460.066 4.792 20 0 JJADRO C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541387 1067088407 /nfs/dbraw/zinc/08/84/07/1067088407.db2.gz OBUJTSLYGDVGHT-AUSIDOKSSA-N 1 0 455.549 4.538 20 0 JJADRO CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)OC ZINC001545791319 1067088935 /nfs/dbraw/zinc/08/89/35/1067088935.db2.gz OBNVIDFWESWUHR-UHFFFAOYSA-N 1 0 482.698 4.551 20 0 JJADRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC001450546839 1067089394 /nfs/dbraw/zinc/08/93/94/1067089394.db2.gz RGEBMEPXZIZIHY-RCZVLFRGSA-N 1 0 452.643 4.700 20 0 JJADRO CCC(CC)(Cn1c(CC2CC2)nnc1N1CC[NH+](C2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001545791552 1067089851 /nfs/dbraw/zinc/08/98/51/1067089851.db2.gz XBUGYTACLMFSGW-UHFFFAOYSA-N 1 0 488.721 4.769 20 0 JJADRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)C[N@@H+]2C1 ZINC001450555126 1067091333 /nfs/dbraw/zinc/09/13/33/1067091333.db2.gz OHJIDHFBZAIEOZ-PLOVASNDSA-N 1 0 457.615 4.872 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cc2)CC1 ZINC001458599498 1067092544 /nfs/dbraw/zinc/09/25/44/1067092544.db2.gz YLIZRRKAAFXKMM-OAQYLSRUSA-N 1 0 456.030 4.802 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546102506 1067099608 /nfs/dbraw/zinc/09/96/08/1067099608.db2.gz ZGDMNXSNIXVGBC-JJPBMRITSA-N 1 0 475.703 4.566 20 0 JJADRO CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)OC ZINC001545798555 1067101204 /nfs/dbraw/zinc/10/12/04/1067101204.db2.gz NAULQZUNIGWOLI-FCHUYYIVSA-N 1 0 475.081 4.899 20 0 JJADRO Cc1ccc(NC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)cc1NC(=O)CC[NH+](C)C ZINC001458655125 1067101336 /nfs/dbraw/zinc/10/13/36/1067101336.db2.gz RXXSCXYDIJKTFW-WMZHIEFXSA-N 1 0 458.400 4.564 20 0 JJADRO CCC(CC)[C@@H](CCn1c(C)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC001545798641 1067101914 /nfs/dbraw/zinc/10/19/14/1067101914.db2.gz ORZKSOHMLFNHOQ-RUZDIDTESA-N 1 0 453.675 4.920 20 0 JJADRO CCN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001458669814 1067104918 /nfs/dbraw/zinc/10/49/18/1067104918.db2.gz PJGJEFOKGJXRAI-KRWDZBQOSA-N 1 0 453.327 4.787 20 0 JJADRO CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001458671105 1067105061 /nfs/dbraw/zinc/10/50/61/1067105061.db2.gz RZWSPCRLNAFAPB-JOCHJYFZSA-N 1 0 452.986 4.836 20 0 JJADRO CC(C)[C@@H]1C[C@@H](CC(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)CCO1 ZINC001450698379 1067106022 /nfs/dbraw/zinc/10/60/22/1067106022.db2.gz XVRNRQJFNPMRLV-AVRDEDQJSA-N 1 0 451.449 4.713 20 0 JJADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccsc1NC(=O)c1ccccc1Cl ZINC001450725217 1067110865 /nfs/dbraw/zinc/11/08/65/1067110865.db2.gz UPRDYDGWYWAMQS-UHFFFAOYSA-N 1 0 456.999 4.643 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC001545804849 1067116843 /nfs/dbraw/zinc/11/68/43/1067116843.db2.gz CQJJBKOOWFWLJY-IMWIBFENSA-N 1 0 457.663 4.954 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)CC[C@H]1C)[NH+](C)C ZINC001545804848 1067116886 /nfs/dbraw/zinc/11/68/86/1067116886.db2.gz CQJJBKOOWFWLJY-IECBHUPTSA-N 1 0 457.663 4.954 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001545805256 1067118795 /nfs/dbraw/zinc/11/87/95/1067118795.db2.gz KBUYYXHKRLOIFW-UZINWLIJSA-N 1 0 499.700 4.582 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001545805304 1067118817 /nfs/dbraw/zinc/11/88/17/1067118817.db2.gz LEMCMNANOIYYLN-PDFGSZSQSA-N 1 0 487.664 4.929 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545805255 1067118835 /nfs/dbraw/zinc/11/88/35/1067118835.db2.gz KBUYYXHKRLOIFW-SWYRRKHMSA-N 1 0 499.700 4.582 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001546026113 1067118897 /nfs/dbraw/zinc/11/88/97/1067118897.db2.gz CSAARMXFHFWWKP-UHFFFAOYSA-N 1 0 478.056 4.991 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@@H](C)C1)[NH+](C)C ZINC001545805267 1067118966 /nfs/dbraw/zinc/11/89/66/1067118966.db2.gz KIPUDWLXYRIRGS-HRAATJIYSA-N 1 0 496.469 4.828 20 0 JJADRO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[NH+](C)C)cc1 ZINC001450776517 1067119022 /nfs/dbraw/zinc/11/90/22/1067119022.db2.gz ATXIFLWHLDMTME-RPWUZVMVSA-N 1 0 453.627 4.870 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC001545805515 1067120079 /nfs/dbraw/zinc/12/00/79/1067120079.db2.gz OQCJYGZOKCYYPT-JTAQYXEDSA-N 1 0 473.637 4.683 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1c(C)noc1C)[NH+](C)C ZINC001545805524 1067120175 /nfs/dbraw/zinc/12/01/75/1067120175.db2.gz OQTGKWCROCOAJT-HXUWFJFHSA-N 1 0 492.466 4.643 20 0 JJADRO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001450780030 1067120152 /nfs/dbraw/zinc/12/01/52/1067120152.db2.gz LLPCJWWNRZBUHT-WMQCIHAUSA-N 1 0 452.039 4.527 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC)[NH+]1CCOCC1 ZINC001545805752 1067120954 /nfs/dbraw/zinc/12/09/54/1067120954.db2.gz RQTADOLHHOMASM-OAQYLSRUSA-N 1 0 459.704 4.869 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC1)[NH+](C)C ZINC001545805736 1067121031 /nfs/dbraw/zinc/12/10/31/1067121031.db2.gz RHPXCGRJGSSZKY-HXUWFJFHSA-N 1 0 464.452 4.683 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCC(c2c[nH]c3ccc(OC)cc32)CC1)[NH+](C)C ZINC001545805681 1067121059 /nfs/dbraw/zinc/12/10/59/1067121059.db2.gz QSFJXVRYDMAWCE-RUZDIDTESA-N 1 0 452.647 4.827 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC1)[NH+](C)C ZINC001545805735 1067121097 /nfs/dbraw/zinc/12/10/97/1067121097.db2.gz RHPXCGRJGSSZKY-FQEVSTJZSA-N 1 0 464.452 4.683 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nccs2)C1)[NH+](C)C ZINC001545805600 1067121106 /nfs/dbraw/zinc/12/11/06/1067121106.db2.gz PNIGBAZWJNKWES-SFTDATJTSA-N 1 0 489.089 4.999 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC001545805845 1067121588 /nfs/dbraw/zinc/12/15/88/1067121588.db2.gz TUAWAVADVZTCCV-DHIUTWEWSA-N 1 0 489.108 4.706 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@@H]1c1ccc(O)cc1)[NH+]1CCOCC1 ZINC001545805766 1067121604 /nfs/dbraw/zinc/12/16/04/1067121604.db2.gz RUTXHKBMQZNNDK-DNQXCXABSA-N 1 0 455.647 4.586 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C)[NH+]1CCOCC1 ZINC001545805913 1067121651 /nfs/dbraw/zinc/12/16/51/1067121651.db2.gz UVGLJXQSQZHSSW-HOYKHHGWSA-N 1 0 475.628 4.940 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@H](C)[C@H]1C)[NH+](C)C ZINC001545807378 1067125583 /nfs/dbraw/zinc/12/55/83/1067125583.db2.gz HERXXHUGZIAXOU-HMFYCAOWSA-N 1 0 475.703 4.659 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(Cl)cn2)CC1)[NH+](C)C ZINC001545807335 1067125601 /nfs/dbraw/zinc/12/56/01/1067125601.db2.gz GOFLNBRPUNBWTG-NRFANRHFSA-N 1 0 486.064 4.588 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC1CC(F)(F)C1)[NH+](C)C ZINC001545807528 1067126984 /nfs/dbraw/zinc/12/69/84/1067126984.db2.gz JQDCKPHCGKXSAN-HXUWFJFHSA-N 1 0 477.600 4.564 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCc2cc(OC)c(OC)cc2CC1)[NH+](C)C ZINC001545807735 1067127540 /nfs/dbraw/zinc/12/75/40/1067127540.db2.gz NKOLYYXJFOLZRO-HSZRJFAPSA-N 1 0 495.668 4.835 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1)[NH+]1CCOCC1 ZINC001545807749 1067128166 /nfs/dbraw/zinc/12/81/66/1067128166.db2.gz NSGCQDOQXHRODZ-HSZRJFAPSA-N 1 0 487.048 4.668 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C ZINC001545807771 1067128290 /nfs/dbraw/zinc/12/82/90/1067128290.db2.gz OCTAHYGRFZMGCW-ISKFKSNPSA-N 1 0 469.605 4.930 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1nccs1)[NH+](C)C ZINC001545807829 1067128671 /nfs/dbraw/zinc/12/86/71/1067128671.db2.gz ONKJMSJDWHPAOW-JOCHJYFZSA-N 1 0 463.655 4.953 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCCO[C@H](C)C1)[NH+](C)C ZINC001545807783 1067128881 /nfs/dbraw/zinc/12/88/81/1067128881.db2.gz OEJDALOHLOINKI-UTKZUKDTSA-N 1 0 478.479 4.689 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCOC1)[NH+](C)C ZINC001545807934 1067130313 /nfs/dbraw/zinc/13/03/13/1067130313.db2.gz PSSMWJANPQPSEE-KKSFZXQISA-N 1 0 452.018 4.577 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001545808063 1067130977 /nfs/dbraw/zinc/13/09/77/1067130977.db2.gz RPYSNGLVYKKYRF-RUZDIDTESA-N 1 0 497.728 4.995 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001545807963 1067130985 /nfs/dbraw/zinc/13/09/85/1067130985.db2.gz QBWXEGHTARHFBW-GMAHTHKFSA-N 1 0 491.627 4.572 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)NC)C1)[NH+](C)C ZINC001545808137 1067131657 /nfs/dbraw/zinc/13/16/57/1067131657.db2.gz SWWADTKPZKBVGJ-UTKZUKDTSA-N 1 0 495.499 4.581 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545808089 1067131798 /nfs/dbraw/zinc/13/17/98/1067131798.db2.gz SDUFEAAQFJFWLI-NTKDMRAZSA-N 1 0 464.658 4.863 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C)CC1)[NH+](C)C ZINC001545808260 1067132922 /nfs/dbraw/zinc/13/29/22/1067132922.db2.gz VODKQDRXXWEELW-XXBNENTESA-N 1 0 457.663 4.955 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCOCC1 ZINC001545808295 1067132995 /nfs/dbraw/zinc/13/29/95/1067132995.db2.gz WGPJIZRCUKTXLH-QPPBQGQZSA-N 1 0 499.700 4.726 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC001545808291 1067133008 /nfs/dbraw/zinc/13/30/08/1067133008.db2.gz WFZQIQLIBTURPO-FQEVSTJZSA-N 1 0 498.018 4.590 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545808399 1067134348 /nfs/dbraw/zinc/13/43/48/1067134348.db2.gz XQRZMKATMSVXHV-MZKRTTBSSA-N 1 0 475.628 4.810 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C)=C(C)C1)[NH+](C)C ZINC001545808390 1067134420 /nfs/dbraw/zinc/13/44/20/1067134420.db2.gz XMICOLSRXYFMKK-QHCPKHFHSA-N 1 0 455.647 4.875 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C)=C(C)C1)[NH+](C)C ZINC001545808389 1067134462 /nfs/dbraw/zinc/13/44/62/1067134462.db2.gz XMICOLSRXYFMKK-HSZRJFAPSA-N 1 0 455.647 4.875 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+](C)C ZINC001545809892 1067136957 /nfs/dbraw/zinc/13/69/57/1067136957.db2.gz MCMQRBYLZQWJFV-DEOSSOPVSA-N 1 0 450.606 4.717 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001545809788 1067136976 /nfs/dbraw/zinc/13/69/76/1067136976.db2.gz JYOOGXTYGHBHBA-RUZDIDTESA-N 1 0 476.669 4.749 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545810228 1067137419 /nfs/dbraw/zinc/13/74/19/1067137419.db2.gz RZSOVTSHOYWCNU-BJKOFHAPSA-N 1 0 483.060 4.938 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC001545810195 1067137442 /nfs/dbraw/zinc/13/74/42/1067137442.db2.gz RLPQBEMVDORNOS-UUOWRZLLSA-N 1 0 486.611 4.886 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001545809995 1067137508 /nfs/dbraw/zinc/13/75/08/1067137508.db2.gz OILBZTKHUMDFMP-LGVFNWMJSA-N 1 0 469.674 4.573 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1nc2ccccc2s1)[NH+](C)C ZINC001545810100 1067137541 /nfs/dbraw/zinc/13/75/41/1067137541.db2.gz PWBFAPZLILYMMU-NRFANRHFSA-N 1 0 463.655 4.953 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OC)c(C)cc2C1)[NH+](C)C ZINC001545810131 1067137553 /nfs/dbraw/zinc/13/75/53/1067137553.db2.gz QEQKQAMAWLGDRB-QHCPKHFHSA-N 1 0 450.631 4.519 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(F)cccc1Cl)[NH+]1CCOCC1 ZINC001545810366 1067138310 /nfs/dbraw/zinc/13/83/10/1067138310.db2.gz VGTPMJZURZKCLL-HSZRJFAPSA-N 1 0 489.039 4.839 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@](C)(CC)C1)[NH+](C)C ZINC001545811813 1067139416 /nfs/dbraw/zinc/13/94/16/1067139416.db2.gz CPFFGSLXDCOYMV-WNCULLNHSA-N 1 0 480.657 4.972 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001545811891 1067139442 /nfs/dbraw/zinc/13/94/42/1067139442.db2.gz FDFANPPBXPTGCV-HSZRJFAPSA-N 1 0 456.585 4.930 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001545811902 1067139571 /nfs/dbraw/zinc/13/95/71/1067139571.db2.gz FGHBDXDPHIUUDY-SELNLUPBSA-N 1 0 466.630 4.580 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@](C)(CC)C1)[NH+](C)C ZINC001545811811 1067139581 /nfs/dbraw/zinc/13/95/81/1067139581.db2.gz CPFFGSLXDCOYMV-HOFKKMOUSA-N 1 0 480.657 4.972 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC001545811915 1067140158 /nfs/dbraw/zinc/14/01/58/1067140158.db2.gz FJDQAFHQFDGZPH-PGRDOPGGSA-N 1 0 463.630 4.989 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccccc2C)C1)[NH+](C)C ZINC001545812391 1067140719 /nfs/dbraw/zinc/14/07/19/1067140719.db2.gz NYJKVXSDGZVBIK-IZZNHLLZSA-N 1 0 476.669 4.901 20 0 JJADRO CC[C@@H](C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](CC)C1 ZINC001451028397 1067140833 /nfs/dbraw/zinc/14/08/33/1067140833.db2.gz FVYBKKLXZZKCKX-PVHODMMVSA-N 1 0 455.687 4.559 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCc2c(F)cc(F)cc2C1)[NH+](C)C ZINC001545812307 1067140817 /nfs/dbraw/zinc/14/08/17/1067140817.db2.gz LYEQUNNMCUXIOM-DEOSSOPVSA-N 1 0 468.596 4.856 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1)[NH+](C)C ZINC001545812400 1067141185 /nfs/dbraw/zinc/14/11/85/1067141185.db2.gz OEJHRYJRCBBICZ-YADHBBJMSA-N 1 0 490.490 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC001545812488 1067141276 /nfs/dbraw/zinc/14/12/76/1067141276.db2.gz PIYLRNAFHMFJOC-GCJKJVERSA-N 1 0 479.673 4.833 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H]1CCSC1)[NH+](C)C ZINC001545812853 1067141846 /nfs/dbraw/zinc/14/18/46/1067141846.db2.gz WIYJPOZESGTQJB-RBBKRZOGSA-N 1 0 468.671 4.908 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H]1CCSC1)[NH+](C)C ZINC001545812854 1067141896 /nfs/dbraw/zinc/14/18/96/1067141896.db2.gz WIYJPOZESGTQJB-UNMCSNQZSA-N 1 0 468.671 4.908 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCOC(C)(C)[C@H]1C)[NH+](C)C ZINC001545813084 1067141909 /nfs/dbraw/zinc/14/19/09/1067141909.db2.gz ZVULJJOONOXAFG-WZONZLPQSA-N 1 0 452.647 4.797 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(C)CC1)[NH+](C)C ZINC001545814759 1067142982 /nfs/dbraw/zinc/14/29/82/1067142982.db2.gz GTEQZYDIJYJPNT-XZOQPEGZSA-N 1 0 488.721 4.915 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)[NH+](C)C ZINC001545814623 1067142988 /nfs/dbraw/zinc/14/29/88/1067142988.db2.gz DRLICUUMTXSQND-WWNPGLIZSA-N 1 0 488.721 4.748 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1scnc1C)[NH+](C)C ZINC001545814748 1067143036 /nfs/dbraw/zinc/14/30/36/1067143036.db2.gz GSPYKDVNXMCWDG-DENIHFKCSA-N 1 0 484.670 4.558 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1)[NH+](C)C ZINC001545814647 1067143061 /nfs/dbraw/zinc/14/30/61/1067143061.db2.gz FAHFVKJZEKKZQG-OYRHQHFDSA-N 1 0 469.674 4.541 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)[NH+](C)C ZINC001545815177 1067144131 /nfs/dbraw/zinc/14/41/31/1067144131.db2.gz NDCLLUUMDAVXHL-MDPIYQRISA-N 1 0 472.505 4.559 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ccsc1)[NH+](C)C ZINC001545815210 1067144193 /nfs/dbraw/zinc/14/41/93/1067144193.db2.gz NNUCMBWWEWBVSX-NFBKMPQASA-N 1 0 469.655 4.855 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001545815470 1067144695 /nfs/dbraw/zinc/14/46/95/1067144695.db2.gz QTFPZYYTUZKFLK-SIKLNZKXSA-N 1 0 473.735 4.642 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2CC1)[NH+](C)C ZINC001545815373 1067144765 /nfs/dbraw/zinc/14/47/65/1067144765.db2.gz PTJWXOHRFRUCAU-ZEQRLZLVSA-N 1 0 499.700 4.509 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+](C)C ZINC001545815243 1067144825 /nfs/dbraw/zinc/14/48/25/1067144825.db2.gz OBFYFMRDZVPDMP-NHCUHLMSSA-N 1 0 467.580 4.940 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCc2cc(F)cc(F)c2C1)[NH+](C)C ZINC001545817082 1067146548 /nfs/dbraw/zinc/14/65/48/1067146548.db2.gz DICBBSHHZUZBSP-QHCPKHFHSA-N 1 0 488.652 4.841 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1)[NH+](C)C ZINC001545817037 1067146586 /nfs/dbraw/zinc/14/65/86/1067146586.db2.gz CREKZORBXKMBDA-IFMALSPDSA-N 1 0 474.669 4.815 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCSC(C)(C)C1)[NH+](C)C ZINC001545817089 1067146622 /nfs/dbraw/zinc/14/66/22/1067146622.db2.gz DRFMWZDBEYMMJO-NRFANRHFSA-N 1 0 459.704 4.576 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)[NH+](C)C ZINC001545817212 1067147321 /nfs/dbraw/zinc/14/73/21/1067147321.db2.gz GNLOPLPTDGLBCG-GOTSBHOMSA-N 1 0 457.711 4.888 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCC[C@H](SC)C1)[NH+]1CCOCC1 ZINC001545817389 1067149083 /nfs/dbraw/zinc/14/90/83/1067149083.db2.gz JIMISGSUHANFKN-FCHUYYIVSA-N 1 0 465.752 4.726 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+](C)C ZINC001545817383 1067149167 /nfs/dbraw/zinc/14/91/67/1067149167.db2.gz JDAIFCRBOOPOFD-JOCHJYFZSA-N 1 0 459.654 4.768 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1)[NH+](C)C ZINC001545817587 1067150404 /nfs/dbraw/zinc/15/04/04/1067150404.db2.gz MAWDSZRQWGSJME-JOCHJYFZSA-N 1 0 476.660 4.838 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001545817727 1067151178 /nfs/dbraw/zinc/15/11/78/1067151178.db2.gz OMNBCCLIUOLDLJ-WMZHIEFXSA-N 1 0 488.746 4.643 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2ccco2)C1)[NH+]1CCOCC1 ZINC001545817890 1067151893 /nfs/dbraw/zinc/15/18/93/1067151893.db2.gz RLUCIFHFUDUSSM-FGZHOGPDSA-N 1 0 457.663 4.591 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1F ZINC001451196965 1067153231 /nfs/dbraw/zinc/15/32/31/1067153231.db2.gz HWSFDFCNRDUARA-UHFFFAOYSA-N 1 0 457.546 4.706 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2C)CC1)[NH+](C)C ZINC001545819247 1067153577 /nfs/dbraw/zinc/15/35/77/1067153577.db2.gz CAZWKGUFYKYEPM-RUZDIDTESA-N 1 0 480.726 4.932 20 0 JJADRO CCC(CC)[C@H](Cn1c(N(C)[C@H]2CCc3ccccc32)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819356 1067154239 /nfs/dbraw/zinc/15/42/39/1067154239.db2.gz DNHGLBDZVBQJJG-ZEQRLZLVSA-N 1 0 453.675 4.836 20 0 JJADRO CCC(CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545819375 1067154299 /nfs/dbraw/zinc/15/42/99/1067154299.db2.gz DYEYDVDNOTUQOD-BDTNDASRSA-N 1 0 486.730 4.653 20 0 JJADRO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@@H]([C@@H]1CCOC1)C(F)(F)F)C(C)C ZINC001458818416 1067154383 /nfs/dbraw/zinc/15/43/83/1067154383.db2.gz XIHRDCZOHSSELZ-APWZRJJASA-N 1 0 457.562 4.575 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001546029629 1067155183 /nfs/dbraw/zinc/15/51/83/1067155183.db2.gz LMWGQZLOUWFLRC-LEWJYISDSA-N 1 0 457.638 4.726 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1)[NH+](C)C ZINC001545819866 1067156120 /nfs/dbraw/zinc/15/61/20/1067156120.db2.gz NRMWYMBXVYFYJV-LAUBAEHRSA-N 1 0 466.095 4.815 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC2(C1)CCOCC2)[NH+](C)C ZINC001545819779 1067156205 /nfs/dbraw/zinc/15/62/05/1067156205.db2.gz LWRJGIVZXAFFFJ-DEOSSOPVSA-N 1 0 469.674 4.539 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001545820107 1067157201 /nfs/dbraw/zinc/15/72/01/1067157201.db2.gz RCFDVODYONVPCT-OFNKIYASSA-N 1 0 459.704 4.782 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@@H](c3ccccc3OC)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545820190 1067158039 /nfs/dbraw/zinc/15/80/39/1067158039.db2.gz SEDKGZCGNDXTSJ-VWNXMTODSA-N 1 0 483.701 4.715 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCOC[C@@H](C2CCC2)C1)[NH+](C)C ZINC001545820446 1067159190 /nfs/dbraw/zinc/15/91/90/1067159190.db2.gz XMTJNTARLCZMDA-XZOQPEGZSA-N 1 0 459.704 4.550 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C)[NH+](C)C ZINC001545820493 1067159236 /nfs/dbraw/zinc/15/92/36/1067159236.db2.gz YOPZTZKUUZKHFB-FYYLOGMGSA-N 1 0 469.703 4.544 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545820428 1067159306 /nfs/dbraw/zinc/15/93/06/1067159306.db2.gz XERLTWALTXLCJY-RLWLMLJZSA-N 1 0 483.701 4.847 20 0 JJADRO CCC(CC)[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(CCOC2)C1)[NH+](C)C ZINC001545820505 1067160012 /nfs/dbraw/zinc/16/00/12/1067160012.db2.gz YQSJXGUACHSGOO-OZXSUGGESA-N 1 0 471.715 4.862 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)c2cccs2)CC1)[NH+](C)C ZINC001545822035 1067162939 /nfs/dbraw/zinc/16/29/39/1067162939.db2.gz RKIDEHQXFQOSKZ-NHCUHLMSSA-N 1 0 473.687 4.657 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)C1)[NH+](C)C ZINC001545822209 1067163631 /nfs/dbraw/zinc/16/36/31/1067163631.db2.gz WKYNPOXLDHZNCM-FYZZASKESA-N 1 0 451.725 4.505 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C)C1)[NH+](C)C ZINC001545822207 1067163639 /nfs/dbraw/zinc/16/36/39/1067163639.db2.gz WKYNPOXLDHZNCM-AYWYSENESA-N 1 0 451.725 4.505 20 0 JJADRO CC(C)([C@@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458838924 1067166228 /nfs/dbraw/zinc/16/62/28/1067166228.db2.gz UQSIDAREIZNYAZ-QPPBQGQZSA-N 1 0 458.549 4.868 20 0 JJADRO CC(C)([C@@H](NC(=O)c1nc(F)ccc1Br)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458841205 1067167588 /nfs/dbraw/zinc/16/75/88/1067167588.db2.gz YDYKWLVPNVDEPL-SFHVURJKSA-N 1 0 456.306 4.607 20 0 JJADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001545824012 1067168793 /nfs/dbraw/zinc/16/87/93/1067168793.db2.gz HWFXFFAPXUIYEA-UHFFFAOYSA-N 1 0 451.302 4.991 20 0 JJADRO O=C(NCc1cccc(Br)c1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001451519104 1067175995 /nfs/dbraw/zinc/17/59/95/1067175995.db2.gz ALQLZLUHQPHWOF-INIZCTEOSA-N 1 0 457.746 4.876 20 0 JJADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001451566113 1067178434 /nfs/dbraw/zinc/17/84/34/1067178434.db2.gz CCHJHSPXKVSZRU-UHFFFAOYSA-N 1 0 458.480 4.722 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001545829547 1067179891 /nfs/dbraw/zinc/17/98/91/1067179891.db2.gz AAXIOCTWLYERKY-BWKNWUBXSA-N 1 0 480.701 4.688 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCCS1 ZINC001545830395 1067181687 /nfs/dbraw/zinc/18/16/87/1067181687.db2.gz TWQPWHQKPSYFSA-ZEQRLZLVSA-N 1 0 498.741 4.583 20 0 JJADRO COc1ccc2cc([C@H](C)C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CCN(C)CC3)ccc2c1 ZINC001458875606 1067182273 /nfs/dbraw/zinc/18/22/73/1067182273.db2.gz KWQRIFKVPPJUGJ-MHBGZZOHSA-N 1 0 451.655 4.748 20 0 JJADRO COc1ccc2cc([C@H](C)C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CCN(C)CC3)ccc2c1 ZINC001458875601 1067182337 /nfs/dbraw/zinc/18/23/37/1067182337.db2.gz KWQRIFKVPPJUGJ-BAURHKQJSA-N 1 0 451.655 4.748 20 0 JJADRO C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875665 1067182449 /nfs/dbraw/zinc/18/24/49/1067182449.db2.gz LFKGUBOUDLJVDR-YFXJRYMSSA-N 1 0 453.593 4.995 20 0 JJADRO COc1ccc2cc([C@H](C)C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CCN(C)CC3)ccc2c1 ZINC001458875612 1067182506 /nfs/dbraw/zinc/18/25/06/1067182506.db2.gz KWQRIFKVPPJUGJ-SQMFLSJESA-N 1 0 451.655 4.748 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545833919 1067184261 /nfs/dbraw/zinc/18/42/61/1067184261.db2.gz PNMJLSJVURXTGM-GOSISDBHSA-N 1 0 493.071 4.746 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001545834813 1067184774 /nfs/dbraw/zinc/18/47/74/1067184774.db2.gz BDTIVNBYTOUHHD-IBGZPJMESA-N 1 0 493.071 4.746 20 0 JJADRO COc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)ccc1OCC[NH+](C)C ZINC001451668042 1067185521 /nfs/dbraw/zinc/18/55/21/1067185521.db2.gz KXIATYCEVVAQAS-UHFFFAOYSA-N 1 0 450.564 4.597 20 0 JJADRO COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1OC ZINC001545841538 1067194426 /nfs/dbraw/zinc/19/44/26/1067194426.db2.gz LPRSTVQRVMXMGJ-UHFFFAOYSA-N 1 0 453.583 4.579 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C3CCC2(C)CC3)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001545845393 1067197382 /nfs/dbraw/zinc/19/73/82/1067197382.db2.gz FMTKBUDFFWGSQB-UHFFFAOYSA-N 1 0 466.674 4.606 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001545848669 1067200341 /nfs/dbraw/zinc/20/03/41/1067200341.db2.gz DRVIMOXNDDUHTG-IODBPXAYSA-N 1 0 496.700 4.523 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001545848671 1067200527 /nfs/dbraw/zinc/20/05/27/1067200527.db2.gz DRVIMOXNDDUHTG-KMAVCZJNSA-N 1 0 496.700 4.523 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001451950613 1067200666 /nfs/dbraw/zinc/20/06/66/1067200666.db2.gz MHQXZKOWAFRIHZ-UARRHKHWSA-N 1 0 469.670 4.733 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@@H]2CC)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001545849137 1067202131 /nfs/dbraw/zinc/20/21/31/1067202131.db2.gz KZIKLMKXXSVQCA-OFVILXPXSA-N 1 0 480.701 4.734 20 0 JJADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC001451978945 1067202358 /nfs/dbraw/zinc/20/23/58/1067202358.db2.gz YLBZOAHZHDORJU-UHFFFAOYSA-N 1 0 459.432 4.690 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545849379 1067202484 /nfs/dbraw/zinc/20/24/84/1067202484.db2.gz OCIIDLHPGFTKKL-HBMCJLEFSA-N 1 0 474.738 4.825 20 0 JJADRO CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001546036887 1067212133 /nfs/dbraw/zinc/21/21/33/1067212133.db2.gz MFIZSZQMHMMWQO-DEOSSOPVSA-N 1 0 467.702 4.821 20 0 JJADRO O=C(CSc1cccc2cccc(Cl)c21)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001458977493 1067215673 /nfs/dbraw/zinc/21/56/73/1067215673.db2.gz YIYRRFFEMPLUPB-OAQYLSRUSA-N 1 0 455.023 4.993 20 0 JJADRO CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001546104938 1067220724 /nfs/dbraw/zinc/22/07/24/1067220724.db2.gz OEWDXFPRMSYCNW-WNCULLNHSA-N 1 0 469.674 4.638 20 0 JJADRO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001546038353 1067221880 /nfs/dbraw/zinc/22/18/80/1067221880.db2.gz KBQMWHYBLLMFQK-QHCPKHFHSA-N 1 0 467.683 4.582 20 0 JJADRO CCC(O)(CC)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001546039853 1067231137 /nfs/dbraw/zinc/23/11/37/1067231137.db2.gz NNULXIXVOMUFSU-RUZDIDTESA-N 1 0 497.728 4.973 20 0 JJADRO C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CCN1C(=O)OC(C)(C)C ZINC001452530287 1067232115 /nfs/dbraw/zinc/23/21/15/1067232115.db2.gz IKWKJTYVAQOJNU-FYYLOGMGSA-N 1 0 455.643 4.537 20 0 JJADRO CC(C)(C)OC(=O)N(CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)CC1CC1 ZINC001452531639 1067232138 /nfs/dbraw/zinc/23/21/38/1067232138.db2.gz UIJNFIVZCMUGET-UHFFFAOYSA-N 1 0 455.643 4.538 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3ccc(OCc4ccncc4)cc3)cc2)C[C@H](C)O1 ZINC001452689229 1067243832 /nfs/dbraw/zinc/24/38/32/1067243832.db2.gz XUMVPBOLTWTPJP-SZPZYZBQSA-N 1 0 459.590 4.542 20 0 JJADRO Cc1ccc(Br)c(C)c1C(=O)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001452689834 1067244394 /nfs/dbraw/zinc/24/43/94/1067244394.db2.gz IDRRAWRDLKQJEN-HDICACEKSA-N 1 0 459.428 4.947 20 0 JJADRO COc1ccccc1Cn1cnc2cc(C(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)ccc21 ZINC001459072845 1067244874 /nfs/dbraw/zinc/24/48/74/1067244874.db2.gz NBZUIYNRXNRYOS-CCLHPLFOSA-N 1 0 456.590 4.823 20 0 JJADRO COc1cc(C(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc(OC)c1C(C)C ZINC001452692521 1067245067 /nfs/dbraw/zinc/24/50/67/1067245067.db2.gz UATIAJWJIWPFLR-BGYRXZFFSA-N 1 0 454.611 4.709 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546105880 1067245879 /nfs/dbraw/zinc/24/58/79/1067245879.db2.gz AEPJZGSCNCZRPJ-KDURUIRLSA-N 1 0 475.081 4.898 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(I)c(Cl)c1)[NH+](C)C ZINC001459077927 1067246948 /nfs/dbraw/zinc/24/69/48/1067246948.db2.gz UVSSPCCMLLSDLN-UGSOOPFHSA-N 1 0 456.755 4.674 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@H](C)[C@H]3C)c2)n1 ZINC001452768028 1067250257 /nfs/dbraw/zinc/25/02/57/1067250257.db2.gz HHTOXNDSSBQGIL-PWRODBHTSA-N 1 0 459.594 4.666 20 0 JJADRO O=C(OCc1ccccc1)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459116184 1067253606 /nfs/dbraw/zinc/25/36/06/1067253606.db2.gz UREMIZJFNYIAMI-KAYWLYCHSA-N 1 0 456.586 4.542 20 0 JJADRO CC[N@H+](CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)C1CCCCC1 ZINC001452893662 1067260244 /nfs/dbraw/zinc/26/02/44/1067260244.db2.gz KRBXMRWLYOAQBU-UHFFFAOYSA-N 1 0 457.640 4.570 20 0 JJADRO Cc1nc(CSc2ccc(C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)cc2)cs1 ZINC001452962009 1067268077 /nfs/dbraw/zinc/26/80/77/1067268077.db2.gz ALKOATYFWFUEHW-UHFFFAOYSA-N 1 0 452.649 4.781 20 0 JJADRO COc1cccc(C[NH+]2CCC(NC(=O)c3cc(C)nc(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC001453146292 1067283774 /nfs/dbraw/zinc/28/37/74/1067283774.db2.gz RNCYJIWUHPCEFD-UHFFFAOYSA-N 1 0 450.970 4.508 20 0 JJADRO COc1cccc(C[NH+]2CCC(NC(=O)C(C)(C)c3ccc(Br)c(C)c3)CC2)c1 ZINC001453152860 1067284171 /nfs/dbraw/zinc/28/41/71/1067284171.db2.gz ZUKCWSQOJMJRGG-UHFFFAOYSA-N 1 0 459.428 4.825 20 0 JJADRO CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)c2C1 ZINC001453162614 1067284735 /nfs/dbraw/zinc/28/47/35/1067284735.db2.gz IDBNBAOCVXNIKP-HXUWFJFHSA-N 1 0 453.558 4.927 20 0 JJADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC001453174418 1067285861 /nfs/dbraw/zinc/28/58/61/1067285861.db2.gz WGTLHZYADUJPAQ-UHFFFAOYSA-N 1 0 458.046 4.675 20 0 JJADRO C[C@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4cc(Br)cs4)nc(N)c23)C1 ZINC001459307839 1067289863 /nfs/dbraw/zinc/28/98/63/1067289863.db2.gz GRMDJZPJTYLWAK-NSHDSACASA-N 1 0 451.459 4.897 20 0 JJADRO O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)NCc1ccc(COc2ccccc2)cc1 ZINC001459309996 1067290505 /nfs/dbraw/zinc/29/05/05/1067290505.db2.gz GGGATUDSBHSENQ-UHFFFAOYSA-N 1 0 458.602 4.932 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001459310878 1067291035 /nfs/dbraw/zinc/29/10/35/1067291035.db2.gz GNBDPIJDUKOJDA-QHCPKHFHSA-N 1 0 451.014 4.842 20 0 JJADRO CCCC[N@H+](Cc1cc(I)cc(I)c1)C1CC1 ZINC001459314540 1067291552 /nfs/dbraw/zinc/29/15/52/1067291552.db2.gz YHOVBIOFXUSOIC-UHFFFAOYSA-N 1 0 455.121 4.660 20 0 JJADRO C[C@H](C(=O)N(C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001453273285 1067293144 /nfs/dbraw/zinc/29/31/44/1067293144.db2.gz YAAJLBQXZTVKPW-QGZVFWFLSA-N 1 0 458.528 4.883 20 0 JJADRO CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)O1 ZINC001546049315 1067295278 /nfs/dbraw/zinc/29/52/78/1067295278.db2.gz YFXVPMRRQAMGTH-DFHRPNOPSA-N 1 0 499.700 4.868 20 0 JJADRO CN(C[C@@H](O)C[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)CC(F)(F)F ZINC001459349099 1067300589 /nfs/dbraw/zinc/30/05/89/1067300589.db2.gz KUKCPHOGCORVJA-OAHLLOKOSA-N 1 0 450.423 4.785 20 0 JJADRO COc1ccc(C[N@H+](CC(=O)Nc2c(F)cc(F)cc2Br)[C@H](C)C2CC2)cc1 ZINC001459355670 1067302123 /nfs/dbraw/zinc/30/21/23/1067302123.db2.gz YDDCKXZZKWXRBD-CYBMUJFWSA-N 1 0 453.327 4.975 20 0 JJADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001453404794 1067304552 /nfs/dbraw/zinc/30/45/52/1067304552.db2.gz SHHZSAQGNAYCSV-HSZRJFAPSA-N 1 0 450.623 4.550 20 0 JJADRO C[C@H]1N(C(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc2C1(C)C ZINC001453435378 1067305669 /nfs/dbraw/zinc/30/56/69/1067305669.db2.gz BXVWTXAVRJYWCZ-DENIHFKCSA-N 1 0 451.611 4.725 20 0 JJADRO Cc1sc2ncnc(SCC(=O)N3CC[N@H+](Cc4ccccc4)[C@@H](C(C)C)C3)c2c1C ZINC001453493732 1067309196 /nfs/dbraw/zinc/30/91/96/1067309196.db2.gz GWMQMDXGOCRVCR-HXUWFJFHSA-N 1 0 454.665 4.769 20 0 JJADRO CC(C)C[N@H+](CCc1ccc(F)cc1)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001459382348 1067309314 /nfs/dbraw/zinc/30/93/14/1067309314.db2.gz AGEQUENYZVUAJF-UHFFFAOYSA-N 1 0 454.586 4.683 20 0 JJADRO C[C@@H]1CCC[C@@H]([N@H+](CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001459392891 1067311909 /nfs/dbraw/zinc/31/19/09/1067311909.db2.gz LVPATRCIGNGRIF-SELNLUPBSA-N 1 0 459.608 4.525 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC001459393667 1067311956 /nfs/dbraw/zinc/31/19/56/1067311956.db2.gz YDHFOHVWBMDSBS-IBGZPJMESA-N 1 0 453.421 4.939 20 0 JJADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CCc1cccc2ccccc21 ZINC001459396668 1067312467 /nfs/dbraw/zinc/31/24/67/1067312467.db2.gz STNTYRMUCGSZRL-INIZCTEOSA-N 1 0 458.343 4.946 20 0 JJADRO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001459394898 1067312591 /nfs/dbraw/zinc/31/25/91/1067312591.db2.gz ZVSXOSJWKZXBKY-FDDCHVKYSA-N 1 0 452.599 4.673 20 0 JJADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459398586 1067313039 /nfs/dbraw/zinc/31/30/39/1067313039.db2.gz WSNOJNFUPXCLAN-YRISNDGFSA-N 1 0 454.442 4.674 20 0 JJADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459398580 1067313347 /nfs/dbraw/zinc/31/33/47/1067313347.db2.gz WSNOJNFUPXCLAN-CDXJDZJCSA-N 1 0 454.442 4.674 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546108783 1067323184 /nfs/dbraw/zinc/32/31/84/1067323184.db2.gz KWFVEVCGEQSDID-BGYRXZFFSA-N 1 0 475.628 4.663 20 0 JJADRO CC(C)c1ccc(OCCNC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC001459442370 1067325303 /nfs/dbraw/zinc/32/53/03/1067325303.db2.gz RMSIHEJFQZTVFQ-UHFFFAOYSA-N 1 0 452.595 4.869 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC001459467072 1067331873 /nfs/dbraw/zinc/33/18/73/1067331873.db2.gz RQKZKQMDCJRMSI-NRFANRHFSA-N 1 0 457.659 4.630 20 0 JJADRO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CCc1ccc(Br)cc1 ZINC001459471846 1067333745 /nfs/dbraw/zinc/33/37/45/1067333745.db2.gz XZMDUZFDLWYKOF-SECBINFHSA-N 1 0 451.233 4.646 20 0 JJADRO O=C(CC[NH+]1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1)Nc1ccc(F)cc1 ZINC001459501513 1067339843 /nfs/dbraw/zinc/33/98/43/1067339843.db2.gz INDUQKUWRSAIQO-UHFFFAOYSA-N 1 0 451.517 4.695 20 0 JJADRO CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459554993 1067350310 /nfs/dbraw/zinc/35/03/10/1067350310.db2.gz BIIQKKQNURAQCK-AVHWCYKHSA-N 1 0 451.611 4.594 20 0 JJADRO CCOC(=O)[C@]1(C(C)C)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC001459571191 1067354972 /nfs/dbraw/zinc/35/49/72/1067354972.db2.gz JDQSAWIBYNREHK-MOZWKJSSSA-N 1 0 462.634 4.514 20 0 JJADRO CC(C)[N@H+](CCOc1ccc2cc(Br)ccc2c1)C[C@@H](O)CC1(O)CCCC1 ZINC001459599065 1067360147 /nfs/dbraw/zinc/36/01/47/1067360147.db2.gz WEPUTXQROVRANB-NRFANRHFSA-N 1 0 450.417 4.748 20 0 JJADRO COc1cc(CNC(=O)C[N@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)cc(OC)c1OC ZINC001459601680 1067360751 /nfs/dbraw/zinc/36/07/51/1067360751.db2.gz XVBNGHVYHYPORS-GOTSBHOMSA-N 1 0 458.643 4.932 20 0 JJADRO COc1cc(CNC(=O)C[N@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)cc(OC)c1OC ZINC001459601677 1067360913 /nfs/dbraw/zinc/36/09/13/1067360913.db2.gz XVBNGHVYHYPORS-DHIUTWEWSA-N 1 0 458.643 4.932 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC001459626461 1067367439 /nfs/dbraw/zinc/36/74/39/1067367439.db2.gz JTCMJLDMJBEQJF-UHFFFAOYSA-N 1 0 457.659 4.581 20 0 JJADRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C2)cc1 ZINC001459661118 1067374538 /nfs/dbraw/zinc/37/45/38/1067374538.db2.gz DFOZFMGUISEQAM-FQEVSTJZSA-N 1 0 458.002 4.886 20 0 JJADRO CC[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC1CCN(c2ccccn2)CC1 ZINC001459662566 1067374905 /nfs/dbraw/zinc/37/49/05/1067374905.db2.gz PESUTOPDXZIOSH-UHFFFAOYSA-N 1 0 454.924 4.931 20 0 JJADRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccc(I)cc3)n2)C12CCC2 ZINC001459664833 1067376247 /nfs/dbraw/zinc/37/62/47/1067376247.db2.gz BYFXCWWXEPROHU-ZWKOTPCHSA-N 1 0 452.336 4.726 20 0 JJADRO CC[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459667934 1067377227 /nfs/dbraw/zinc/37/72/27/1067377227.db2.gz AJQRUSAUWLUXJC-UHFFFAOYSA-N 1 0 459.679 4.989 20 0 JJADRO C[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459668604 1067378144 /nfs/dbraw/zinc/37/81/44/1067378144.db2.gz LMHNHUNRUGSEMH-PGRDOPGGSA-N 1 0 459.575 4.555 20 0 JJADRO CN(Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459676529 1067380657 /nfs/dbraw/zinc/38/06/57/1067380657.db2.gz XKPQIQVAEIVLLW-FQEVSTJZSA-N 1 0 451.412 4.860 20 0 JJADRO O=C(CC[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC001459696127 1067387091 /nfs/dbraw/zinc/38/70/91/1067387091.db2.gz SQKCLVWQXMLILC-UHFFFAOYSA-N 1 0 459.512 4.660 20 0 JJADRO COc1cc(NC2CC[NH+](Cc3cncc(-c4cc(F)ccc4OC)c3)CC2)cc(OC)c1 ZINC001459705178 1067389038 /nfs/dbraw/zinc/38/90/38/1067389038.db2.gz POAMONBERAMWBT-UHFFFAOYSA-N 1 0 451.542 4.990 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC001459708186 1067390235 /nfs/dbraw/zinc/39/02/35/1067390235.db2.gz PHCXMIJNGWKXNG-QGZVFWFLSA-N 1 0 458.528 4.588 20 0 JJADRO CC[C@H](NC(=O)C[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC001459714775 1067393109 /nfs/dbraw/zinc/39/31/09/1067393109.db2.gz BXMDBSNIZIBOPX-GERBCZOESA-N 1 0 452.039 4.971 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CC1 ZINC001459715110 1067393199 /nfs/dbraw/zinc/39/31/99/1067393199.db2.gz QEBIBEDWJVEKRR-MXVIHJGJSA-N 1 0 453.631 4.982 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC001459720861 1067395632 /nfs/dbraw/zinc/39/56/32/1067395632.db2.gz JNXBEEKXBXNNRJ-HXUWFJFHSA-N 1 0 452.545 4.958 20 0 JJADRO COC(=O)Nc1ccc(CNC(=O)C[N@H+](Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)cc1 ZINC001459751358 1067406346 /nfs/dbraw/zinc/40/63/46/1067406346.db2.gz ZYHASFNRSSCJCC-AREMUKBSSA-N 1 0 457.574 4.979 20 0 JJADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(OC)ncc2Br)[C@@H]2CCCC[C@H]12 ZINC001459758299 1067409929 /nfs/dbraw/zinc/40/99/29/1067409929.db2.gz YBXVDAKBOUOTCS-OPMKJXALSA-N 1 0 452.437 4.537 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c2ccccc2)cc1 ZINC001459762269 1067412470 /nfs/dbraw/zinc/41/24/70/1067412470.db2.gz HQSYMRAIZHBQOQ-RLWLMLJZSA-N 1 0 452.620 4.673 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([NH+]2CCC(OCc3ccccc3F)CC2)[C@H](O)c2ccccc21 ZINC001459771992 1067415644 /nfs/dbraw/zinc/41/56/44/1067415644.db2.gz BLMWRHTVWSEFTD-BJKOFHAPSA-N 1 0 456.558 4.664 20 0 JJADRO CN(CCC1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1)C(=O)OC(C)(C)C ZINC001459775314 1067416782 /nfs/dbraw/zinc/41/67/82/1067416782.db2.gz SOTOSSKKOMTFGG-UHFFFAOYSA-N 1 0 459.400 4.936 20 0 JJADRO CCN(C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1nc2ccccc2s1 ZINC001459794239 1067426754 /nfs/dbraw/zinc/42/67/54/1067426754.db2.gz CYNWIEQXSGURQN-JWTNVVGKSA-N 1 0 458.628 4.512 20 0 JJADRO CCC[N@H+](CC(=O)N[C@H](CC)c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459798071 1067427600 /nfs/dbraw/zinc/42/76/00/1067427600.db2.gz LADUQTDVGMLHLR-XMMPIXPASA-N 1 0 456.030 4.924 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@@H]21 ZINC001459805608 1067431308 /nfs/dbraw/zinc/43/13/08/1067431308.db2.gz OADSDJOCUTYCFX-FHLIZLRMSA-N 1 0 455.571 4.565 20 0 JJADRO CC(C)([C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccc(F)c(F)c1)N1CCCC1 ZINC001459812876 1067434408 /nfs/dbraw/zinc/43/44/08/1067434408.db2.gz HKBUULJYWMRURJ-LEWJYISDSA-N 1 0 453.371 4.966 20 0 JJADRO CCC[C@H]1CN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459815867 1067436094 /nfs/dbraw/zinc/43/60/94/1067436094.db2.gz UUVYWFDPORNZII-UPVQGACJSA-N 1 0 457.565 4.770 20 0 JJADRO COc1ccc(-c2nc(NC(=O)C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)sc2C)cc1 ZINC001459818446 1067437610 /nfs/dbraw/zinc/43/76/10/1067437610.db2.gz RTJGWFYMHSAPCO-XMSQKQJNSA-N 1 0 451.592 4.823 20 0 JJADRO COC(=O)c1c(NC(=O)C[NH2+][C@@H](CC(C)C)c2ccccc2OC)sc2c1CC[C@H](C)C2 ZINC001459819905 1067438345 /nfs/dbraw/zinc/43/83/45/1067438345.db2.gz XEWXWLXPVSTKQC-LPHOPBHVSA-N 1 0 458.624 4.984 20 0 JJADRO O=C(NCc1cccc(OCC(F)(F)F)n1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001459822363 1067439245 /nfs/dbraw/zinc/43/92/45/1067439245.db2.gz OSJZQTGUWZVGLR-FCHUYYIVSA-N 1 0 461.528 4.577 20 0 JJADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2)c1 ZINC001459823874 1067440286 /nfs/dbraw/zinc/44/02/86/1067440286.db2.gz FOYWYMWQJAIPEW-ZCYQVOJMSA-N 1 0 457.618 4.867 20 0 JJADRO COc1ccc(CN2CCCN(C(=O)C[NH2+][C@@H](CC(C)(C)C)c3ccc(F)cc3)CC2)cc1 ZINC001459830827 1067443678 /nfs/dbraw/zinc/44/36/78/1067443678.db2.gz MOILUQGKOQTRSK-VWLOTQADSA-N 1 0 455.618 4.636 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)[C@H](O)c2ccccc21 ZINC001459835259 1067445909 /nfs/dbraw/zinc/44/59/09/1067445909.db2.gz LCHULOQLVJESPS-OYYPCOLYSA-N 1 0 456.558 4.571 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)c(OC)c1 ZINC001459836714 1067446964 /nfs/dbraw/zinc/44/69/64/1067446964.db2.gz OXXLKGQQSNUOHT-URXFXBBRSA-N 1 0 458.574 4.590 20 0 JJADRO COc1ccc([C@H](CCO)[NH2+]C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC001459837631 1067446980 /nfs/dbraw/zinc/44/69/80/1067446980.db2.gz FSQYPVMIJMTUQO-BJKOFHAPSA-N 1 0 456.380 4.871 20 0 JJADRO COC(=O)c1cc(Br)c(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)cc1OC ZINC001459836644 1067446989 /nfs/dbraw/zinc/44/69/89/1067446989.db2.gz AZPBPLWGIYMTTM-HXPMCKFVSA-N 1 0 456.764 4.764 20 0 JJADRO C[N@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[C@@H]1CCCC[C@H]1O ZINC001459840123 1067448085 /nfs/dbraw/zinc/44/80/85/1067448085.db2.gz LMSNEAJCVUYVHR-AJSBUHFISA-N 1 0 452.422 4.943 20 0 JJADRO CC(C)CC[C@H]([NH2+]CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001459840845 1067448597 /nfs/dbraw/zinc/44/85/97/1067448597.db2.gz KKIQMRKMIZUARM-NRFANRHFSA-N 1 0 452.039 4.876 20 0 JJADRO COc1ccc(CN2CCCN(C(=O)C[NH2+][C@@H](CC(C)C)c3ccc(Cl)cc3)CC2)cc1 ZINC001459841250 1067448624 /nfs/dbraw/zinc/44/86/24/1067448624.db2.gz DYMRTXPNSWSTOU-VWLOTQADSA-N 1 0 458.046 4.760 20 0 JJADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+][C@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC001459844365 1067451167 /nfs/dbraw/zinc/45/11/67/1067451167.db2.gz RZFQTKFGTYNKCC-HFAGJRCMSA-N 1 0 459.558 4.504 20 0 JJADRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1-c1ccc(Cl)cc1 ZINC001459845135 1067451513 /nfs/dbraw/zinc/45/15/13/1067451513.db2.gz QWJSVSUXJLWXMS-CQSZACIVSA-N 1 0 453.995 4.945 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)c(OC)c1 ZINC001459846329 1067452070 /nfs/dbraw/zinc/45/20/70/1067452070.db2.gz GTFGDNRULJZYNU-PGRDOPGGSA-N 1 0 456.583 4.514 20 0 JJADRO COc1ccc(C(NC(=O)C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c2ccc(OC)cc2)cc1 ZINC001459846981 1067452596 /nfs/dbraw/zinc/45/25/96/1067452596.db2.gz ARMHRLRGQFXZKK-UHFFFAOYSA-N 1 0 454.517 4.713 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459848193 1067453730 /nfs/dbraw/zinc/45/37/30/1067453730.db2.gz GKJYVAYXLMSTGP-ZWKOTPCHSA-N 1 0 459.575 4.864 20 0 JJADRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)cc1OC ZINC001459849282 1067454584 /nfs/dbraw/zinc/45/45/84/1067454584.db2.gz BNGBMBVLNRZSMU-WPSZSDGUSA-N 1 0 456.583 4.992 20 0 JJADRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC001459851797 1067456194 /nfs/dbraw/zinc/45/61/94/1067456194.db2.gz HGZOOBJSQFNWGE-LEWJYISDSA-N 1 0 451.394 4.769 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH2+][C@@H](COc3ccccc3)c3ccccc3)C2)C1 ZINC001459851747 1067456733 /nfs/dbraw/zinc/45/67/33/1067456733.db2.gz SCFPCMLJQCBDRK-NLJOTIRTSA-N 1 0 452.595 4.812 20 0 JJADRO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001459853117 1067457733 /nfs/dbraw/zinc/45/77/33/1067457733.db2.gz YBXLCINUJYTKGY-QHCPKHFHSA-N 1 0 457.958 4.671 20 0 JJADRO C[C@H]([NH2+]CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1)C1CCOCC1 ZINC001459853884 1067458332 /nfs/dbraw/zinc/45/83/32/1067458332.db2.gz UODMPMRDOXMQFI-SFHVURJKSA-N 1 0 453.583 4.887 20 0 JJADRO COc1cc([C@H](C)[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)ccc1OC(C)C ZINC001459853553 1067458370 /nfs/dbraw/zinc/45/83/70/1067458370.db2.gz PFBWPCOSXMXHSA-IQOKHDRSSA-N 1 0 456.583 4.990 20 0 JJADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccncc1 ZINC001459855337 1067458750 /nfs/dbraw/zinc/45/87/50/1067458750.db2.gz VDKJWEBYVCWTJB-TZIWHRDSSA-N 1 0 455.599 4.967 20 0 JJADRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)CC1 ZINC001459857255 1067459936 /nfs/dbraw/zinc/45/99/36/1067459936.db2.gz RIDCJRUHCHSWNM-UHFFFAOYSA-N 1 0 452.595 4.569 20 0 JJADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(Br)c2)cc1 ZINC001459863797 1067462464 /nfs/dbraw/zinc/46/24/64/1067462464.db2.gz KTWHSAAHAAUUCH-AWEZNQCLSA-N 1 0 459.837 4.984 20 0 JJADRO C[C@H]([NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC001459868911 1067465740 /nfs/dbraw/zinc/46/57/40/1067465740.db2.gz QUZWUEDETYCYDM-KRWDZBQOSA-N 1 0 451.954 4.694 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(N2CCCC2=O)cc1 ZINC001459869418 1067466326 /nfs/dbraw/zinc/46/63/26/1067466326.db2.gz UARKWELHJYCQFH-CVEARBPZSA-N 1 0 452.555 4.754 20 0 JJADRO C[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870445 1067466835 /nfs/dbraw/zinc/46/68/35/1067466835.db2.gz NMFVYFZNKJULBX-FGZHOGPDSA-N 1 0 452.542 4.914 20 0 JJADRO Cc1cc(NC(=O)C[NH2+][C@@H](COc2c(C)cccc2C)C(C)(C)C)n(-c2ccc(F)cc2)n1 ZINC001459869895 1067466910 /nfs/dbraw/zinc/46/69/10/1067466910.db2.gz MTCVXTXLAFYPRY-QFIPXVFZSA-N 1 0 452.574 4.958 20 0 JJADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[N@H+](C)CCc1ccc(Cl)cc1 ZINC001459875278 1067469405 /nfs/dbraw/zinc/46/94/05/1067469405.db2.gz RZBIJPCVPOUGCH-OAHLLOKOSA-N 1 0 458.908 4.886 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001546112527 1067473107 /nfs/dbraw/zinc/47/31/07/1067473107.db2.gz VDGFDXLWEZDNEB-UHFFFAOYSA-N 1 0 469.722 4.914 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC001459893556 1067476631 /nfs/dbraw/zinc/47/66/31/1067476631.db2.gz INBOEWAZTXFFIO-UHFFFAOYSA-N 1 0 454.958 4.585 20 0 JJADRO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894752 1067477253 /nfs/dbraw/zinc/47/72/53/1067477253.db2.gz XNNWKSGDEWZEFZ-UECWXEIQSA-N 1 0 457.659 4.756 20 0 JJADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)oc21 ZINC001459901324 1067480359 /nfs/dbraw/zinc/48/03/59/1067480359.db2.gz NHAQWTHGVVWHRH-YLJYHZDGSA-N 1 0 452.551 4.863 20 0 JJADRO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC001459905125 1067482570 /nfs/dbraw/zinc/48/25/70/1067482570.db2.gz JLSWFZQCADGMOV-INIZCTEOSA-N 1 0 453.564 4.615 20 0 JJADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC001459906496 1067482978 /nfs/dbraw/zinc/48/29/78/1067482978.db2.gz UYWANCPQOAXOES-AWEZNQCLSA-N 1 0 456.999 4.859 20 0 JJADRO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459911585 1067486848 /nfs/dbraw/zinc/48/68/48/1067486848.db2.gz XKQZYTHOTOGZAF-IRLDBZIGSA-N 1 0 457.546 4.803 20 0 JJADRO O=C(CC[NH+]1CCC(Oc2cccc(Br)c2)CC1)N[C@H]1CCCc2ccccc21 ZINC001459924598 1067493854 /nfs/dbraw/zinc/49/38/54/1067493854.db2.gz PCXITVAYLAVCMZ-QHCPKHFHSA-N 1 0 457.412 4.876 20 0 JJADRO C[C@@H](N[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459928311 1067495347 /nfs/dbraw/zinc/49/53/47/1067495347.db2.gz ZEWZERDDIINCGQ-URVUXULASA-N 1 0 452.668 4.944 20 0 JJADRO COc1cc(Br)ccc1CCC[NH2+][C@@H](CCO)c1ccccc1Br ZINC001459935777 1067498601 /nfs/dbraw/zinc/49/86/01/1067498601.db2.gz SFICFZMGGMAEMQ-SFHVURJKSA-N 1 0 457.206 4.866 20 0 JJADRO CC(=O)NC1CCC([N@H+](C)Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)CC1 ZINC001459940196 1067500258 /nfs/dbraw/zinc/50/02/58/1067500258.db2.gz ZFYKWKUSNQAEGU-UHFFFAOYSA-N 1 0 457.372 4.531 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001459944948 1067501862 /nfs/dbraw/zinc/50/18/62/1067501862.db2.gz YGTKUBMAPVWTGB-WWNPGLIZSA-N 1 0 458.002 4.544 20 0 JJADRO O=C(Nc1nc(-c2ccc(Br)cn2)cs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001459952609 1067504892 /nfs/dbraw/zinc/50/48/92/1067504892.db2.gz OSEQNJDGKWXWMW-UHFFFAOYSA-N 1 0 457.397 4.818 20 0 JJADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC001459955450 1067505676 /nfs/dbraw/zinc/50/56/76/1067505676.db2.gz HEXHRGZTKYURPH-GFCCVEGCSA-N 1 0 456.178 4.900 20 0 JJADRO CO[C@H](C)c1noc(CN2CCCC[C@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959492 1067507467 /nfs/dbraw/zinc/50/74/67/1067507467.db2.gz COQQSPNQXYJHTF-GIVPXCGWSA-N 1 0 458.603 4.515 20 0 JJADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958665 1067507767 /nfs/dbraw/zinc/50/77/67/1067507767.db2.gz GWPSVIPISRTHDG-ZWKOTPCHSA-N 1 0 455.400 4.846 20 0 JJADRO CO[C@H](C)c1noc(CN2CCCC[C@@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959501 1067507794 /nfs/dbraw/zinc/50/77/94/1067507794.db2.gz COQQSPNQXYJHTF-HLAWJBBLSA-N 1 0 458.603 4.515 20 0 JJADRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC001459965346 1067510020 /nfs/dbraw/zinc/51/00/20/1067510020.db2.gz HXDNNGPDLSZCJI-RCSBWOJUSA-N 1 0 451.611 4.783 20 0 JJADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC001459978263 1067513503 /nfs/dbraw/zinc/51/35/03/1067513503.db2.gz CVTZFERDLZWLPB-RDPSFJRHSA-N 1 0 459.428 4.978 20 0 JJADRO COc1ccc2c(c1)C[C@H](C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1)O2 ZINC001459978978 1067513983 /nfs/dbraw/zinc/51/39/83/1067513983.db2.gz CPSYWIXCDOHHTO-RPWUZVMVSA-N 1 0 455.501 4.836 20 0 JJADRO CC[C@@]1(CO)CCC[N@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459992129 1067518461 /nfs/dbraw/zinc/51/84/61/1067518461.db2.gz FWPTYEPFMQGGMC-LADGPHEKSA-N 1 0 452.422 4.945 20 0 JJADRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459998015 1067520281 /nfs/dbraw/zinc/52/02/81/1067520281.db2.gz WWHAKOZSYHCQSV-OFQRWUPVSA-N 1 0 452.617 4.541 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC001460009002 1067525652 /nfs/dbraw/zinc/52/56/52/1067525652.db2.gz PCBDVTJTXWEAMO-RCZVLFRGSA-N 1 0 457.640 4.581 20 0 JJADRO CCC[N@H+](CCOc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC001460020135 1067531050 /nfs/dbraw/zinc/53/10/50/1067531050.db2.gz UMFQPHDZNRWCLJ-QGZVFWFLSA-N 1 0 459.805 4.585 20 0 JJADRO O=C(C[NH+]1CCC(c2cccc(Br)c2)CC1)NCCc1nc2ccccc2s1 ZINC001460024698 1067532689 /nfs/dbraw/zinc/53/26/89/1067532689.db2.gz VQBHTGPSGMSQIK-UHFFFAOYSA-N 1 0 458.425 4.597 20 0 JJADRO CSc1ccccc1NC(=O)CC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001460026858 1067533043 /nfs/dbraw/zinc/53/30/43/1067533043.db2.gz CUYYSNYKGMEQTA-UHFFFAOYSA-N 1 0 454.514 4.931 20 0 JJADRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039527 1067536514 /nfs/dbraw/zinc/53/65/14/1067536514.db2.gz LKZBYZCQXZOWOY-YCZSINBZSA-N 1 0 455.624 4.591 20 0 JJADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC001460041503 1067537108 /nfs/dbraw/zinc/53/71/08/1067537108.db2.gz SGJBPPAAFRUFBA-HXUWFJFHSA-N 1 0 458.400 4.566 20 0 JJADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC001460046867 1067538217 /nfs/dbraw/zinc/53/82/17/1067538217.db2.gz ACLYBQKVUZCHSD-BVFVYWQFSA-N 1 0 472.651 4.873 20 0 JJADRO CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@H]2CCC(C)(C)C2)c(C(=O)OC(C)(C)C)c1C ZINC001460046157 1067538355 /nfs/dbraw/zinc/53/83/55/1067538355.db2.gz CSMGPHHFUNDHEW-HNNXBMFYSA-N 1 0 452.617 4.638 20 0 JJADRO CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@@H]2CCC(C)(C)C2)c(C(=O)OC(C)(C)C)c1C ZINC001460046160 1067538391 /nfs/dbraw/zinc/53/83/91/1067538391.db2.gz CSMGPHHFUNDHEW-OAHLLOKOSA-N 1 0 452.617 4.638 20 0 JJADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC001460072721 1067546496 /nfs/dbraw/zinc/54/64/96/1067546496.db2.gz CVWQAFNOUYUMPQ-UHFFFAOYSA-N 1 0 455.411 4.775 20 0 JJADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(Oc3cccnc3)cc2)nc2nc(C(F)(F)F)nn21 ZINC001460073315 1067546544 /nfs/dbraw/zinc/54/65/44/1067546544.db2.gz YMRIRSWUSCFNEF-CQSZACIVSA-N 1 0 458.444 4.580 20 0 JJADRO COc1ccccc1[C@@H]1CC[C@@H](C)CN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086738 1067550311 /nfs/dbraw/zinc/55/03/11/1067550311.db2.gz WJLQKRZINMLIOJ-YKSBVNFPSA-N 1 0 453.652 4.656 20 0 JJADRO O=C(CC[NH2+][C@H](c1cncc(Br)c1)C1CC1)Nc1cccc(Br)c1 ZINC001460091646 1067552184 /nfs/dbraw/zinc/55/21/84/1067552184.db2.gz BIPYJUDNXHMCPL-SFHVURJKSA-N 1 0 453.178 4.676 20 0 JJADRO O=C(C[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)NCc1ccc(N2CCCC2=O)cc1 ZINC001460100522 1067555168 /nfs/dbraw/zinc/55/51/68/1067555168.db2.gz OJQPXMBGLCUCPQ-DNQXCXABSA-N 1 0 454.014 4.789 20 0 JJADRO CCc1cc2c(C[N@@H+]3CCC[C@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460113829 1067557905 /nfs/dbraw/zinc/55/79/05/1067557905.db2.gz YXNNLOKBAJUCLC-RBUKOAKNSA-N 1 0 456.583 4.530 20 0 JJADRO CCc1cc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460113835 1067557971 /nfs/dbraw/zinc/55/79/71/1067557971.db2.gz YXNNLOKBAJUCLC-RTBURBONSA-N 1 0 456.583 4.530 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H](C)C3)cc2)c1 ZINC001460122427 1067559317 /nfs/dbraw/zinc/55/93/17/1067559317.db2.gz UQYZCSQRUOQGKT-HSZRJFAPSA-N 1 0 455.602 4.519 20 0 JJADRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001460146303 1067564657 /nfs/dbraw/zinc/56/46/57/1067564657.db2.gz VYTVHCQSXMXWCL-UHFFFAOYSA-N 1 0 453.583 4.874 20 0 JJADRO O[C@H](C[N@H+](CCc1ccc(Cl)cc1)CCc1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC001460175270 1067570973 /nfs/dbraw/zinc/57/09/73/1067570973.db2.gz MKPDEMBDLJJBMA-GOSISDBHSA-N 1 0 451.819 4.672 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001460177098 1067571499 /nfs/dbraw/zinc/57/14/99/1067571499.db2.gz IBWKMUXNVWZFHA-OUJCMCIWSA-N 1 0 471.642 4.516 20 0 JJADRO O=C(CC[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)Nc1cc(F)cc(F)c1 ZINC001460181181 1067572598 /nfs/dbraw/zinc/57/25/98/1067572598.db2.gz RLIHWGZFGTWXOZ-YCRPNKLZSA-N 1 0 453.327 4.502 20 0 JJADRO Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@H](C)c3ccc(N4CCCNC4=O)cc3)cc2)c1 ZINC001460182483 1067573363 /nfs/dbraw/zinc/57/33/63/1067573363.db2.gz RKOLNFPMYZCVDJ-HXUWFJFHSA-N 1 0 458.562 4.996 20 0 JJADRO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC001460183179 1067573467 /nfs/dbraw/zinc/57/34/67/1067573467.db2.gz DFESCTJFBHWKQK-HSZRJFAPSA-N 1 0 451.611 4.818 20 0 JJADRO C[C@H]([NH2+]CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Br)cc1F ZINC001460187048 1067574617 /nfs/dbraw/zinc/57/46/17/1067574617.db2.gz WYXMQRDQBFORLH-NACYADMMSA-N 1 0 457.384 4.532 20 0 JJADRO CN1CC[C@H]([NH2+]CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001460192552 1067575670 /nfs/dbraw/zinc/57/56/70/1067575670.db2.gz NJERACJHWBQPMI-FUDKSRODSA-N 1 0 450.385 4.831 20 0 JJADRO CN1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001460192554 1067575743 /nfs/dbraw/zinc/57/57/43/1067575743.db2.gz NJERACJHWBQPMI-QZNHQXDQSA-N 1 0 450.385 4.831 20 0 JJADRO O=C(CN1CCCc2c(Cl)cc(Cl)cc21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460200633 1067577965 /nfs/dbraw/zinc/57/79/65/1067577965.db2.gz KFFCZDIZXDRESH-UHFFFAOYSA-N 1 0 450.435 4.934 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C[C@@H]1c1ccccc1 ZINC001460203667 1067578138 /nfs/dbraw/zinc/57/81/38/1067578138.db2.gz OHHBOQDJNYVEBM-IAGOWNOFSA-N 1 0 472.301 4.779 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CCC(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC001460206435 1067579030 /nfs/dbraw/zinc/57/90/30/1067579030.db2.gz GVWQWNBLLXQGGD-HSZRJFAPSA-N 1 0 455.643 4.683 20 0 JJADRO C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460206512 1067579035 /nfs/dbraw/zinc/57/90/35/1067579035.db2.gz SHNBTDXPWIJORQ-JTHBVZDNSA-N 1 0 451.611 4.703 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)CC[C@H]1c1ccc(F)cc1 ZINC001460207964 1067579284 /nfs/dbraw/zinc/57/92/84/1067579284.db2.gz NBOPTDLGHJAMQF-FCHUYYIVSA-N 1 0 477.527 4.815 20 0 JJADRO COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(Br)c1 ZINC001460210187 1067580112 /nfs/dbraw/zinc/58/01/12/1067580112.db2.gz IDQGWQGOCKGZRG-QZTJIDSGSA-N 1 0 472.408 4.769 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCCCCC2)CCS1 ZINC001546114810 1067583192 /nfs/dbraw/zinc/58/31/92/1067583192.db2.gz HFQRWXKLGZAEPH-UHFFFAOYSA-N 1 0 457.688 4.942 20 0 JJADRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001460230681 1067584910 /nfs/dbraw/zinc/58/49/10/1067584910.db2.gz XETPESCFGBJHLA-IDNQLYMWSA-N 1 0 458.668 4.559 20 0 JJADRO CN(CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001460231612 1067585339 /nfs/dbraw/zinc/58/53/39/1067585339.db2.gz ZPXYOBKEHCCQEG-QFIPXVFZSA-N 1 0 453.593 4.996 20 0 JJADRO CC1(C)CN(C(=O)c2ccc(N=S(C)(C)=O)cc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460233294 1067586289 /nfs/dbraw/zinc/58/62/89/1067586289.db2.gz ZCHJXMAELRXYCQ-XMMPIXPASA-N 1 0 453.652 4.809 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC001460238800 1067588129 /nfs/dbraw/zinc/58/81/29/1067588129.db2.gz DUNJYGIZTSQTCH-LAUBAEHRSA-N 1 0 456.986 4.642 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH2+][C@H](c3ccccc3)C3(CO)CCCCC3)C2)C1 ZINC001460248513 1067591068 /nfs/dbraw/zinc/59/10/68/1067591068.db2.gz QSBPCZJKHYZYLT-PPJWLVRDSA-N 1 0 458.643 4.676 20 0 JJADRO C[C@@H]1C[C@H](C)[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269628 1067594227 /nfs/dbraw/zinc/59/42/27/1067594227.db2.gz GJBMPBXBYPYULM-ZIFCJYIRSA-N 1 0 453.023 4.915 20 0 JJADRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269820 1067594325 /nfs/dbraw/zinc/59/43/25/1067594325.db2.gz HBQPFRUQHKDEFF-YGDRIEADSA-N 1 0 457.659 4.905 20 0 JJADRO C[C@H]1CC2(C[N@@H+]1Cc1cccc(C(=O)N3CCCCC3)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279076 1067596597 /nfs/dbraw/zinc/59/65/97/1067596597.db2.gz XZVGLRDQLUQNGZ-NRFANRHFSA-N 1 0 455.643 4.924 20 0 JJADRO C[C@@H]1CC2(C[N@@H+]1C[C@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279156 1067596646 /nfs/dbraw/zinc/59/66/46/1067596646.db2.gz YCQSPBDXJZFBDT-APWZRJJASA-N 1 0 453.421 4.594 20 0 JJADRO COC(=O)[C@@H]1CN([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279904 1067596935 /nfs/dbraw/zinc/59/69/35/1067596935.db2.gz VGNZVJMPVVLYND-WDIJOQRFSA-N 1 0 466.528 4.572 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](Cc2oc(-c3ccccc3)nc2C)C[C@H]1c1ccc(Br)cc1 ZINC001460280614 1067597569 /nfs/dbraw/zinc/59/75/69/1067597569.db2.gz YTHOGEPUJWDKTF-VQTJNVASSA-N 1 0 455.352 4.801 20 0 JJADRO COCc1cccc(CNC(=O)C[NH2+]C2(c3ccc(C)cc3Br)CCCCC2)c1 ZINC001460282280 1067597830 /nfs/dbraw/zinc/59/78/30/1067597830.db2.gz DQROQIKHDCGMDW-UHFFFAOYSA-N 1 0 459.428 4.969 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C[C@H]1c1ccc(O)cc1 ZINC001460306707 1067603825 /nfs/dbraw/zinc/60/38/25/1067603825.db2.gz HADHCLOLHJEOTR-ZWKOTPCHSA-N 1 0 464.415 4.594 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@H](O)c2cccc3ccccc32)C1 ZINC001460318646 1067606747 /nfs/dbraw/zinc/60/67/47/1067606747.db2.gz SHJVHSKHKIABPR-GATIMQMVSA-N 1 0 454.611 4.800 20 0 JJADRO Cc1ccc(C(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)c(Br)n1 ZINC001460324259 1067608067 /nfs/dbraw/zinc/60/80/67/1067608067.db2.gz IQOJRXLFKUMVDM-NRFANRHFSA-N 1 0 458.444 4.958 20 0 JJADRO CC(C)c1ccc(CN2CCN(C(=O)C[N@@H+]3CCc4ccc(Cl)cc4[C@H](C)C3)CC2)cc1 ZINC001460335582 1067610983 /nfs/dbraw/zinc/61/09/83/1067610983.db2.gz HFZALTGLQREITP-OAQYLSRUSA-N 1 0 454.058 4.769 20 0 JJADRO O=C(c1ccc(Br)o1)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460353461 1067615346 /nfs/dbraw/zinc/61/53/46/1067615346.db2.gz ZITJZTQWJYOHBR-FQEVSTJZSA-N 1 0 454.368 4.744 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360600 1067617883 /nfs/dbraw/zinc/61/78/83/1067617883.db2.gz CWMKWJSCJYESRH-OPYAIIAOSA-N 1 0 459.562 4.765 20 0 JJADRO Clc1cc(N2CC[NH+](Cc3cccc(CN4CCOCC4)c3)CC2)cc(Cl)c1Cl ZINC001460362312 1067618493 /nfs/dbraw/zinc/61/84/93/1067618493.db2.gz PWOHIZNHHHXXCW-UHFFFAOYSA-N 1 0 454.829 4.801 20 0 JJADRO CCc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@@H]32)c2cccs2)cc1 ZINC001460368417 1067620087 /nfs/dbraw/zinc/62/00/87/1067620087.db2.gz XXGSVCXIABOYNP-UEOMBKFZSA-N 1 0 454.636 4.570 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C12CCCC2 ZINC001460369980 1067620570 /nfs/dbraw/zinc/62/05/70/1067620570.db2.gz SVASZTRLFFQMFC-VQTJNVASSA-N 1 0 451.652 4.935 20 0 JJADRO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)c1C ZINC001460376248 1067621254 /nfs/dbraw/zinc/62/12/54/1067621254.db2.gz VHPFYGAZIWDTOB-QFIPXVFZSA-N 1 0 452.473 4.597 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CCN(C)Cc2ccccc2)cc1F ZINC001460388519 1067624182 /nfs/dbraw/zinc/62/41/82/1067624182.db2.gz HCKKJJUGNIGXEG-UPVQGACJSA-N 1 0 471.617 4.649 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CC[C@H](O)c2ccccc2)cc1F ZINC001460388393 1067624206 /nfs/dbraw/zinc/62/42/06/1067624206.db2.gz GFBVYNLVHCEATC-PMVMPFDFSA-N 1 0 458.574 4.641 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]CCN2CCCc3ccccc32)C1 ZINC001460391238 1067624945 /nfs/dbraw/zinc/62/49/45/1067624945.db2.gz PCDGCZBXNJTQAY-DNQXCXABSA-N 1 0 453.602 4.961 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)cc1 ZINC001460392985 1067625310 /nfs/dbraw/zinc/62/53/10/1067625310.db2.gz UVAIRKJQEVPCMO-YUSVDLJSSA-N 1 0 454.611 4.542 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC001460393778 1067625709 /nfs/dbraw/zinc/62/57/09/1067625709.db2.gz XCJJUGGCDOBBQK-QIJUGHKUSA-N 1 0 450.501 4.520 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[Si](C)(C)c2ccccc2)cc1 ZINC001460393679 1067625761 /nfs/dbraw/zinc/62/57/61/1067625761.db2.gz WQBKYJYVCIKEMQ-DQEYMECFSA-N 1 0 468.714 4.923 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC001460400734 1067626918 /nfs/dbraw/zinc/62/69/18/1067626918.db2.gz AUSKJCHYTPQDAF-QIJUGHKUSA-N 1 0 450.501 4.520 20 0 JJADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001460401104 1067627216 /nfs/dbraw/zinc/62/72/16/1067627216.db2.gz SNTAERRZLRTKRX-CAADTVGGSA-N 1 0 451.636 4.828 20 0 JJADRO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@]3(C)Cc3ccccc3Cl)cc2)C[C@@H](C)O1 ZINC001460404150 1067627648 /nfs/dbraw/zinc/62/76/48/1067627648.db2.gz NEGRECBEWPAIFM-KYTVRQNUSA-N 1 0 456.030 4.989 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC001460408791 1067629201 /nfs/dbraw/zinc/62/92/01/1067629201.db2.gz NFNGAKRXGBQQHZ-UEVCKROQSA-N 1 0 475.649 4.793 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC001460411614 1067629724 /nfs/dbraw/zinc/62/97/24/1067629724.db2.gz RFQGEGQIHARRPW-FGZHOGPDSA-N 1 0 468.001 4.804 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccnc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCS1 ZINC001546116085 1067629869 /nfs/dbraw/zinc/62/98/69/1067629869.db2.gz GUFSAZYGYCUAKR-SFTDATJTSA-N 1 0 456.704 4.820 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001460439942 1067635433 /nfs/dbraw/zinc/63/54/33/1067635433.db2.gz IUQZUJDNAXUQAE-QHCPKHFHSA-N 1 0 459.631 4.613 20 0 JJADRO Ic1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)co2)cc1 ZINC001460452091 1067637058 /nfs/dbraw/zinc/63/70/58/1067637058.db2.gz KRTFPEDMQDZFDD-LPHOPBHVSA-N 1 0 452.336 4.727 20 0 JJADRO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001460505647 1067646142 /nfs/dbraw/zinc/64/61/42/1067646142.db2.gz CARJRBMWWVEYQB-NRFANRHFSA-N 1 0 451.533 4.994 20 0 JJADRO CCc1ccccc1Nc1nc(N)nc(CN2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC001460523557 1067649165 /nfs/dbraw/zinc/64/91/65/1067649165.db2.gz MZZGNEQDHWQMEY-UHFFFAOYSA-N 1 0 459.642 4.635 20 0 JJADRO COC(=O)c1cnc([C@H]2CCCN(Cc3cc(Cl)ccc3OCc3cccnc3)C2)s1 ZINC001460525490 1067649771 /nfs/dbraw/zinc/64/97/71/1067649771.db2.gz JOZMHSRVXVSNFT-KRWDZBQOSA-N 1 0 457.983 4.937 20 0 JJADRO COC(=O)[C@@H]1CCN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)C[C@@H]1C ZINC001460528116 1067651195 /nfs/dbraw/zinc/65/11/95/1067651195.db2.gz SENQZSUQNPJBEE-PGRDOPGGSA-N 1 0 481.593 4.613 20 0 JJADRO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)c1 ZINC001460536861 1067652494 /nfs/dbraw/zinc/65/24/94/1067652494.db2.gz AMGHCMUVVADNAE-IBGZPJMESA-N 1 0 457.977 4.797 20 0 JJADRO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001460538504 1067653263 /nfs/dbraw/zinc/65/32/63/1067653263.db2.gz NIXSDIVLIZXMDG-MAUKXSAKSA-N 1 0 452.348 4.615 20 0 JJADRO COC(=O)c1cccc(C[NH+]2CCC(c3nccc(-c4ccccc4OC)n3)CC2)c1Cl ZINC001460547004 1067654379 /nfs/dbraw/zinc/65/43/79/1067654379.db2.gz WJXMYSDBPXSDBM-UHFFFAOYSA-N 1 0 451.954 4.972 20 0 JJADRO Cc1ccc(C)c(Sc2ccc(NC(=O)CN3CCC([N@@H+]4CCCOCC4)CC3)cc2)c1 ZINC001460560296 1067655994 /nfs/dbraw/zinc/65/59/94/1067655994.db2.gz KQIVUSWFKAHWLB-UHFFFAOYSA-N 1 0 453.652 4.580 20 0 JJADRO CO[C@@H](C[NH+]1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 ZINC001460569211 1067657742 /nfs/dbraw/zinc/65/77/42/1067657742.db2.gz RLDDTOGOIJZKIJ-VXKWHMMOSA-N 1 0 453.023 4.766 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CC=C(c4ccc(Cl)cc4C)CC3)cc2)CC1 ZINC001460582991 1067661740 /nfs/dbraw/zinc/66/17/40/1067661740.db2.gz XPGWNJOBOJKHFK-UHFFFAOYSA-N 1 0 453.030 4.518 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC001460628166 1067677965 /nfs/dbraw/zinc/67/79/65/1067677965.db2.gz ZQZVCTQULRQYIP-RSXGOPAZSA-N 1 0 477.992 4.637 20 0 JJADRO CC(C)(C)c1csc(CC2(O)CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)n1 ZINC001460630452 1067678421 /nfs/dbraw/zinc/67/84/21/1067678421.db2.gz JJZASUVYEZEKBE-UHFFFAOYSA-N 1 0 451.636 4.984 20 0 JJADRO CSC1(CNC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccc(F)cc2)CC[NH+](C)CC1 ZINC001460636903 1067680543 /nfs/dbraw/zinc/68/05/43/1067680543.db2.gz YUYBAUPUSHTSPO-UHFFFAOYSA-N 1 0 457.590 4.989 20 0 JJADRO CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CC[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC001460636946 1067680938 /nfs/dbraw/zinc/68/09/38/1067680938.db2.gz LBBIHSRPJSXJRZ-XXBNENTESA-N 1 0 459.556 4.916 20 0 JJADRO C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCC[N@@H+]1CC(=O)NCCOc1cccc(F)c1 ZINC001460642065 1067682818 /nfs/dbraw/zinc/68/28/18/1067682818.db2.gz BTHPMPJZHMLBMZ-QFIPXVFZSA-N 1 0 456.455 4.576 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c2ccccc2)cc1 ZINC001460654461 1067688844 /nfs/dbraw/zinc/68/88/44/1067688844.db2.gz VXOSNNRQKNUDDV-RSXGOPAZSA-N 1 0 456.652 4.828 20 0 JJADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)s1 ZINC001460658994 1067691529 /nfs/dbraw/zinc/69/15/29/1067691529.db2.gz GNCBVKPORZGDJA-FQEVSTJZSA-N 1 0 456.633 4.998 20 0 JJADRO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001460662453 1067692451 /nfs/dbraw/zinc/69/24/51/1067692451.db2.gz UAUBGODNGNKDNI-MOPGFXCFSA-N 1 0 453.421 4.864 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC001460673371 1067696040 /nfs/dbraw/zinc/69/60/40/1067696040.db2.gz DFPWAAWGYGSIMJ-IBGZPJMESA-N 1 0 456.608 4.920 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001460675701 1067697053 /nfs/dbraw/zinc/69/70/53/1067697053.db2.gz PLVRACGGQTZILA-OAQYLSRUSA-N 1 0 459.631 4.859 20 0 JJADRO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001460681828 1067699679 /nfs/dbraw/zinc/69/96/79/1067699679.db2.gz SVEBYFQPBXRHGI-FQEVSTJZSA-N 1 0 452.986 4.741 20 0 JJADRO CC(C)(C)OC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001460682456 1067700049 /nfs/dbraw/zinc/70/00/49/1067700049.db2.gz XIYXNEDBVGORQQ-QHCPKHFHSA-N 1 0 451.611 4.743 20 0 JJADRO CCc1nc(C(C)C)ccc1C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460703417 1067704912 /nfs/dbraw/zinc/70/49/12/1067704912.db2.gz BKKQXSDONCVKCX-UHFFFAOYSA-N 1 0 455.046 4.848 20 0 JJADRO CC[C@@H](Oc1ccccc1C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460710760 1067706249 /nfs/dbraw/zinc/70/62/49/1067706249.db2.gz SMMDZUOOACRSLY-XMMPIXPASA-N 1 0 456.030 4.619 20 0 JJADRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](Cc1ccc(SC)c(OC)c1)C(C)C ZINC001460713434 1067706889 /nfs/dbraw/zinc/70/68/89/1067706889.db2.gz OSHGDCAAPCYEME-HNNXBMFYSA-N 1 0 450.626 4.811 20 0 JJADRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC001460717481 1067708142 /nfs/dbraw/zinc/70/81/42/1067708142.db2.gz TYXFBOUXDHKRKQ-UHFFFAOYSA-N 1 0 451.901 4.563 20 0 JJADRO C[N@H+](CCCCNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)C1CC1 ZINC001460717715 1067708291 /nfs/dbraw/zinc/70/82/91/1067708291.db2.gz XZVZLTVBHAZAHX-UHFFFAOYSA-N 1 0 452.780 4.894 20 0 JJADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC001460739940 1067712889 /nfs/dbraw/zinc/71/28/89/1067712889.db2.gz CCNUEWCHHASASI-INIZCTEOSA-N 1 0 456.425 4.793 20 0 JJADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001460749991 1067715718 /nfs/dbraw/zinc/71/57/18/1067715718.db2.gz VWTUFJUMLNPFIL-KRWDZBQOSA-N 1 0 452.776 4.660 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](C[C@@H](O)c1ccccc1Br)C2 ZINC001460777567 1067721426 /nfs/dbraw/zinc/72/14/26/1067721426.db2.gz GKAUGMOXKYTUHF-DENIHFKCSA-N 1 0 453.421 4.596 20 0 JJADRO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779782 1067722169 /nfs/dbraw/zinc/72/21/69/1067722169.db2.gz YTXIAMSDZBSCCE-ISCCLHIJSA-N 1 0 455.643 4.856 20 0 JJADRO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)[C@H](CO)c1ccccc1C ZINC001460779363 1067722198 /nfs/dbraw/zinc/72/21/98/1067722198.db2.gz RYCGAQBFNSWQJP-OAQYLSRUSA-N 1 0 452.576 4.504 20 0 JJADRO Cc1nc(COc2ccc(C(=O)N(CCC[NH+]3CCCC3)c3ccc(Cl)cc3)cc2)no1 ZINC001460789876 1067723971 /nfs/dbraw/zinc/72/39/71/1067723971.db2.gz DKBJSBDZBRLVPJ-UHFFFAOYSA-N 1 0 454.958 4.743 20 0 JJADRO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](CC)c1cccc2ccccc21 ZINC001460792010 1067724413 /nfs/dbraw/zinc/72/44/13/1067724413.db2.gz HZRBYJCZFDOQKP-XMMPIXPASA-N 1 0 456.546 4.882 20 0 JJADRO COc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc(OC)c1Cl ZINC001460794736 1067724516 /nfs/dbraw/zinc/72/45/16/1067724516.db2.gz LVFVVKSOKRESTD-QZTJIDSGSA-N 1 0 457.983 4.668 20 0 JJADRO COc1ccc(CCNC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(SC(F)(F)F)c2)cc1OC ZINC001460801822 1067726974 /nfs/dbraw/zinc/72/69/74/1067726974.db2.gz BCSOXUWRBLHFRG-CABCVRRESA-N 1 0 456.530 4.714 20 0 JJADRO C[N@@H+](Cc1ccccc1Oc1ccc(Br)cc1F)CC1CCS(=O)(=O)CC1 ZINC001460803281 1067727146 /nfs/dbraw/zinc/72/71/46/1067727146.db2.gz WCHZYMKFKMIJTD-UHFFFAOYSA-N 1 0 456.377 4.637 20 0 JJADRO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001460878916 1067740919 /nfs/dbraw/zinc/74/09/19/1067740919.db2.gz HQQJGBBCZMEFGO-CLCXKQKWSA-N 1 0 456.414 4.581 20 0 JJADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001460884588 1067742296 /nfs/dbraw/zinc/74/22/96/1067742296.db2.gz ZKVXEMOPIFXAAP-FUHWJXTLSA-N 1 0 455.437 4.873 20 0 JJADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001460908385 1067746287 /nfs/dbraw/zinc/74/62/87/1067746287.db2.gz CQGOCCAOPLKZPY-IBGZPJMESA-N 1 0 457.416 4.664 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+][C@H](c2ncccc2C)C(C)(C)C)cc1 ZINC001460911231 1067746676 /nfs/dbraw/zinc/74/66/76/1067746676.db2.gz UPIPZYCSVJFERZ-AREMUKBSSA-N 1 0 458.606 4.944 20 0 JJADRO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH2+][C@@H](C)Cc1cccnc1 ZINC001460934618 1067750509 /nfs/dbraw/zinc/75/05/09/1067750509.db2.gz VPOIHQFQJFZCDT-HNNXBMFYSA-N 1 0 457.983 4.800 20 0 JJADRO COCC[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c2ccccc21 ZINC001460949020 1067752381 /nfs/dbraw/zinc/75/23/81/1067752381.db2.gz GZUAKOFTHQCRRR-CJFMBICVSA-N 1 0 456.030 4.624 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001460948328 1067752414 /nfs/dbraw/zinc/75/24/14/1067752414.db2.gz NFUARTIUZCWJPO-CPJSRVTESA-N 1 0 451.652 4.889 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@H]1CCCC2 ZINC001460970058 1067754730 /nfs/dbraw/zinc/75/47/30/1067754730.db2.gz GOKZMVCGFOAKRL-QRQCRPRQSA-N 1 0 456.414 4.949 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001460983549 1067757244 /nfs/dbraw/zinc/75/72/44/1067757244.db2.gz SMWCHSQJJCUIDU-YLJYHZDGSA-N 1 0 456.892 4.506 20 0 JJADRO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989519 1067758512 /nfs/dbraw/zinc/75/85/12/1067758512.db2.gz WWIDBGXIGHBQJW-DOTOQJQBSA-N 1 0 458.430 4.892 20 0 JJADRO Cc1ccc(-c2csc(NC(=O)C[NH2+][C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)n2)cc1 ZINC001460990340 1067758954 /nfs/dbraw/zinc/75/89/54/1067758954.db2.gz YZXOAMRQCOUESF-DVECYGJZSA-N 1 0 456.612 4.579 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC2(CC[NH+](CC3(Br)CC3)CC2)Oc2ccccc21 ZINC001460996416 1067759728 /nfs/dbraw/zinc/75/97/28/1067759728.db2.gz ZIYHBBISTQHEIU-QGZVFWFLSA-N 1 0 451.405 4.797 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)C[NH+](C)C)CCS1 ZINC001546120833 1067762341 /nfs/dbraw/zinc/76/23/41/1067762341.db2.gz BAQVHRBKEHGGHB-UHFFFAOYSA-N 1 0 459.704 4.865 20 0 JJADRO COc1ccc([C@@H](C[NH2+]Cc2cc(Cl)c(OC(C)C)cc2Cl)N2CCOCC2)cc1 ZINC001461015291 1067762346 /nfs/dbraw/zinc/76/23/46/1067762346.db2.gz UUDWCBFHJLBTFW-JOCHJYFZSA-N 1 0 453.410 4.952 20 0 JJADRO COc1cccc([C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N2CCCC2)c1 ZINC001461016845 1067762569 /nfs/dbraw/zinc/76/25/69/1067762569.db2.gz WMJVTBDBZNWEKG-DEOSSOPVSA-N 1 0 458.528 4.886 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CCS1 ZINC001546121025 1067768665 /nfs/dbraw/zinc/76/86/65/1067768665.db2.gz IBWUIRKGNUBCSF-QFIPXVFZSA-N 1 0 457.688 4.618 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001461050159 1067769627 /nfs/dbraw/zinc/76/96/27/1067769627.db2.gz KQAONWCRLDGOKV-MZNJEOGPSA-N 1 0 456.993 4.833 20 0 JJADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3cc4nc(Cl)ccc4s3)cc2)C1 ZINC001461061910 1067773100 /nfs/dbraw/zinc/77/31/00/1067773100.db2.gz IUNUOVGSKCKEDF-HNNXBMFYSA-N 1 0 450.029 4.660 20 0 JJADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3ccc(-c4ccncc4)cc3F)cc2)C1 ZINC001461061270 1067773127 /nfs/dbraw/zinc/77/31/27/1067773127.db2.gz FMKPFTCXYUUIIZ-LJQANCHMSA-N 1 0 453.583 4.598 20 0 JJADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cscc1C(F)(F)F ZINC001461063001 1067773457 /nfs/dbraw/zinc/77/34/57/1067773457.db2.gz HGFDWRFBQPLLNN-UHFFFAOYSA-N 1 0 450.324 4.780 20 0 JJADRO Cc1c(Br)cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1Br ZINC001461065410 1067774705 /nfs/dbraw/zinc/77/47/05/1067774705.db2.gz GVTVLDONWDTWAE-UHFFFAOYSA-N 1 0 453.222 4.669 20 0 JJADRO O=C(Nc1cccc(C[NH2+]Cc2cnc3ccc(Br)cn23)c1)c1cccc(F)c1 ZINC001461087715 1067779460 /nfs/dbraw/zinc/77/94/60/1067779460.db2.gz FUOFCFIQXJZULE-UHFFFAOYSA-N 1 0 453.315 4.778 20 0 JJADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(Cl)cc(Br)c3)cc2)C[C@H](C)O1 ZINC001461092714 1067780720 /nfs/dbraw/zinc/78/07/20/1067780720.db2.gz LBLVHJOYMIFBQD-GJZGRUSLSA-N 1 0 451.792 4.642 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001461097157 1067781339 /nfs/dbraw/zinc/78/13/39/1067781339.db2.gz CVJMYDHFQWUYRW-UHFFFAOYSA-N 1 0 454.347 4.866 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001461096161 1067781361 /nfs/dbraw/zinc/78/13/61/1067781361.db2.gz IDVZMEAXDZQOFG-UHFFFAOYSA-N 1 0 458.437 4.906 20 0 JJADRO O[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)COc1ccc(F)cc1 ZINC001461095249 1067781408 /nfs/dbraw/zinc/78/14/08/1067781408.db2.gz ANUWVHGTLJHLBQ-HSZRJFAPSA-N 1 0 451.929 4.861 20 0 JJADRO Fc1ccc(C2(C[NH2+]Cc3c[nH]nc3-c3ccc(Br)s3)CCOCC2)cc1 ZINC001461101563 1067782341 /nfs/dbraw/zinc/78/23/41/1067782341.db2.gz UNIROQVMAALYGK-UHFFFAOYSA-N 1 0 450.377 4.878 20 0 JJADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)c(OC(C)C)cc2Cl)cc1 ZINC001461105483 1067782650 /nfs/dbraw/zinc/78/26/50/1067782650.db2.gz PVOLJVDZHWBPAD-UHFFFAOYSA-N 1 0 459.439 4.898 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]C[C@@H]3CCN(c4ccc(F)c(F)c4)C3)cccc2C1 ZINC001461119109 1067784909 /nfs/dbraw/zinc/78/49/09/1067784909.db2.gz CKUXJEOINNOGDU-SFHVURJKSA-N 1 0 457.565 4.874 20 0 JJADRO CC(C)(C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1)c1cccc(Br)c1 ZINC001461128153 1067786723 /nfs/dbraw/zinc/78/67/23/1067786723.db2.gz LLXBXFBGCQSTFU-UHFFFAOYSA-N 1 0 454.412 4.901 20 0 JJADRO COc1ccc(OCc2ccccn2)c(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001461130268 1067786977 /nfs/dbraw/zinc/78/69/77/1067786977.db2.gz WABINLYKWXAUEX-WOJBJXKFSA-N 1 0 455.599 4.794 20 0 JJADRO CC(C)(C)OC(=O)NCCc1ccc(C[NH2+]Cc2ccccc2-n2nnc3ccccc32)cc1 ZINC001461129498 1067787077 /nfs/dbraw/zinc/78/70/77/1067787077.db2.gz ULTLKDVBZRQVAX-UHFFFAOYSA-N 1 0 457.578 4.778 20 0 JJADRO Cn1nc(Br)cc1C[NH2+]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC001461138013 1067787845 /nfs/dbraw/zinc/78/78/45/1067787845.db2.gz IIZALBBCJZODIZ-UHFFFAOYSA-N 1 0 450.764 4.584 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)C1 ZINC001461151569 1067789791 /nfs/dbraw/zinc/78/97/91/1067789791.db2.gz UUKICBGFHRGNEE-AOHZBQACSA-N 1 0 453.631 4.741 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)C1 ZINC001461151576 1067789854 /nfs/dbraw/zinc/78/98/54/1067789854.db2.gz UUKICBGFHRGNEE-GPXNEJASSA-N 1 0 453.631 4.741 20 0 JJADRO CC1(C)CN([C@@H](C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c2ccc(Cl)cc2)CCO1 ZINC001461177671 1067793414 /nfs/dbraw/zinc/79/34/14/1067793414.db2.gz LRNPYIMUMNGTDV-DEOSSOPVSA-N 1 0 456.030 4.518 20 0 JJADRO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(Br)nc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001461181115 1067793796 /nfs/dbraw/zinc/79/37/96/1067793796.db2.gz JVJPOIPMWSYHSB-FDDCHVKYSA-N 1 0 458.444 4.830 20 0 JJADRO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(Br)nc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001461181118 1067793954 /nfs/dbraw/zinc/79/39/54/1067793954.db2.gz JVJPOIPMWSYHSB-JPYJTQIMSA-N 1 0 458.444 4.830 20 0 JJADRO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(Br)nc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001461181124 1067794043 /nfs/dbraw/zinc/79/40/43/1067794043.db2.gz JVJPOIPMWSYHSB-WZONZLPQSA-N 1 0 458.444 4.830 20 0 JJADRO Brc1cc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)ccc1OCc1ccccc1 ZINC001461198307 1067797923 /nfs/dbraw/zinc/79/79/23/1067797923.db2.gz UMMMWZOGBNFSLZ-QFIPXVFZSA-N 1 0 459.428 4.761 20 0 JJADRO NS(=O)(=O)c1cc(C[NH2+]Cc2ccccc2COc2ccccc2Cl)ccc1Cl ZINC001461203514 1067798667 /nfs/dbraw/zinc/79/86/67/1067798667.db2.gz RWXPHYCZDHDQJZ-UHFFFAOYSA-N 1 0 451.375 4.510 20 0 JJADRO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC001461205620 1067799044 /nfs/dbraw/zinc/79/90/44/1067799044.db2.gz XPFNVASNQOIZES-MRXNPFEDSA-N 1 0 450.396 4.590 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ncc(Br)cc2Br)CC1 ZINC001461205847 1067799386 /nfs/dbraw/zinc/79/93/86/1067799386.db2.gz XUVCXESUEXAIJT-AWEZNQCLSA-N 1 0 453.222 4.922 20 0 JJADRO CC(C)(C[NH2+]C1CCC2(COC(C)(C)C2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC001461209042 1067799655 /nfs/dbraw/zinc/79/96/55/1067799655.db2.gz PKNFGUBBBPESID-UHFFFAOYSA-N 1 0 458.462 4.719 20 0 JJADRO Brc1cccc(OCCSCC[NH2+]Cc2ccc3c(c2)OCCCCO3)c1 ZINC001461218547 1067801688 /nfs/dbraw/zinc/80/16/88/1067801688.db2.gz JMGBRVJMTOPFDD-UHFFFAOYSA-N 1 0 452.414 4.902 20 0 JJADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNCc2csc(-c3ccsc3)n2)CC1 ZINC001461219798 1067802030 /nfs/dbraw/zinc/80/20/30/1067802030.db2.gz CCPQHEOGDCLVMT-UHFFFAOYSA-N 1 0 452.571 4.932 20 0 JJADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC001461223364 1067803128 /nfs/dbraw/zinc/80/31/28/1067803128.db2.gz ANRVIPKYIPNHAZ-FUHWJXTLSA-N 1 0 455.407 4.691 20 0 JJADRO Brc1ccccc1C1(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC001461228052 1067804349 /nfs/dbraw/zinc/80/43/49/1067804349.db2.gz BDXZDCBAZUFPLN-UHFFFAOYSA-N 1 0 453.174 4.804 20 0 JJADRO CCCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC001461234053 1067805906 /nfs/dbraw/zinc/80/59/06/1067805906.db2.gz QIMGNSCUIPXHIG-NRFANRHFSA-N 1 0 455.649 4.708 20 0 JJADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)c2nnn(Cc3ccncc3)c2C)cc1 ZINC001461238447 1067806777 /nfs/dbraw/zinc/80/67/77/1067806777.db2.gz KVHJBQYHSIYGTQ-UHFFFAOYSA-N 1 0 454.578 4.694 20 0 JJADRO COc1cc(C[NH2+][C@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc(OC)c1OCC(F)F ZINC001461237891 1067806880 /nfs/dbraw/zinc/80/68/80/1067806880.db2.gz FSJYGNWVLYCLSD-WYRIXSBYSA-N 1 0 450.309 4.866 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001461240951 1067807545 /nfs/dbraw/zinc/80/75/45/1067807545.db2.gz XZOQNOSBLWJBSS-RBZFPXEDSA-N 1 0 452.755 4.947 20 0 JJADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)C2CCN(Cc3nccn3C)CC2)cc1 ZINC001461240117 1067807583 /nfs/dbraw/zinc/80/75/83/1067807583.db2.gz UUIUDDGWDRBJRE-UHFFFAOYSA-N 1 0 459.638 4.683 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001461240959 1067807948 /nfs/dbraw/zinc/80/79/48/1067807948.db2.gz XZOQNOSBLWJBSS-ZUOKHONESA-N 1 0 452.755 4.947 20 0 JJADRO C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)Oc1cccc(Br)c1 ZINC001461258935 1067812470 /nfs/dbraw/zinc/81/24/70/1067812470.db2.gz GRSZJGGCZIHLLF-HNNXBMFYSA-N 1 0 451.792 4.764 20 0 JJADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001461266578 1067813919 /nfs/dbraw/zinc/81/39/19/1067813919.db2.gz ZEFSUHJDKKQIMP-JPYJTQIMSA-N 1 0 450.583 4.876 20 0 JJADRO CC(C)[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)c1cccnc1 ZINC001461266837 1067814018 /nfs/dbraw/zinc/81/40/18/1067814018.db2.gz JVGYTRCYCNIOJR-NRFANRHFSA-N 1 0 452.426 4.629 20 0 JJADRO CCc1nc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001461273026 1067815328 /nfs/dbraw/zinc/81/53/28/1067815328.db2.gz OUEFQBCSUBMBFH-HSZRJFAPSA-N 1 0 458.393 4.531 20 0 JJADRO CCc1nc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001461273035 1067815628 /nfs/dbraw/zinc/81/56/28/1067815628.db2.gz OUEFQBCSUBMBFH-QHCPKHFHSA-N 1 0 458.393 4.531 20 0 JJADRO C[C@@]1(NC(=O)c2cnc(-c3ccccc3Br)s2)CC[N@H+](Cc2ccccc2)C1 ZINC001461276289 1067816331 /nfs/dbraw/zinc/81/63/31/1067816331.db2.gz ZWYWKAOFLSYRKV-JOCHJYFZSA-N 1 0 456.409 4.967 20 0 JJADRO Cc1ccc(COc2ccc(C[NH2+]C[C@@H](O)COc3ccccc3Br)cc2)cc1 ZINC001461282006 1067817689 /nfs/dbraw/zinc/81/76/89/1067817689.db2.gz ASQPQUFJKRGIBW-OAQYLSRUSA-N 1 0 456.380 4.866 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]Cc2cnc3ccc(Br)cn23)cc1 ZINC001461286004 1067817989 /nfs/dbraw/zinc/81/79/89/1067817989.db2.gz SOVRIIDBTCVEJR-OAHLLOKOSA-N 1 0 459.388 4.972 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(CC[NH2+]Cc2ccccc2I)cc1 ZINC001461286792 1067818478 /nfs/dbraw/zinc/81/84/78/1067818478.db2.gz KVSYQJGMKDYHOS-UHFFFAOYSA-N 1 0 452.336 4.971 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)nc1 ZINC001461318095 1067827284 /nfs/dbraw/zinc/82/72/84/1067827284.db2.gz ZUOGZSZBWFPJIS-UHFFFAOYSA-N 1 0 456.612 4.798 20 0 JJADRO O=C(N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326395 1067829083 /nfs/dbraw/zinc/82/90/83/1067829083.db2.gz AGVFAPBRFLQQTN-PMACEKPBSA-N 1 0 455.332 4.587 20 0 JJADRO CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001461327303 1067829464 /nfs/dbraw/zinc/82/94/64/1067829464.db2.gz DUZPZKKMSIDFRY-IZZNHLLZSA-N 1 0 450.623 4.512 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1 ZINC001461339219 1067832949 /nfs/dbraw/zinc/83/29/49/1067832949.db2.gz HRPMROFPEQPNLM-QFIPXVFZSA-N 1 0 456.384 4.709 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC001461339216 1067832966 /nfs/dbraw/zinc/83/29/66/1067832966.db2.gz HRPMROFPEQPNLM-JOCHJYFZSA-N 1 0 456.384 4.709 20 0 JJADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3ccnc4c(Br)cccc34)C2)c1 ZINC001461342729 1067834218 /nfs/dbraw/zinc/83/42/18/1067834218.db2.gz DRSPSTRLOXMRNG-MRXNPFEDSA-N 1 0 456.384 4.631 20 0 JJADRO Cn1cc(C[NH2+]C(CCc2ccccc2)CCc2ccccc2)c(I)n1 ZINC001461346395 1067835300 /nfs/dbraw/zinc/83/53/00/1067835300.db2.gz QHDUGXXSNRDMBR-UHFFFAOYSA-N 1 0 459.375 4.749 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC001461373266 1067840565 /nfs/dbraw/zinc/84/05/65/1067840565.db2.gz QSOZCJKBSXEWSR-GOSISDBHSA-N 1 0 454.416 4.653 20 0 JJADRO COc1c(Br)cc(Br)cc1C[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC001461373754 1067841181 /nfs/dbraw/zinc/84/11/81/1067841181.db2.gz KCKMQYRANFXLTD-SFHVURJKSA-N 1 0 455.190 4.824 20 0 JJADRO COc1cc(C[NH2+]CC[C@H]2CCCCO2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461376430 1067841463 /nfs/dbraw/zinc/84/14/63/1067841463.db2.gz HYJLLOVBMPCJEP-GOSISDBHSA-N 1 0 450.938 4.554 20 0 JJADRO COc1cc(Br)c(C[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001461379078 1067842362 /nfs/dbraw/zinc/84/23/62/1067842362.db2.gz LWDVXYVBXAFVKC-UHFFFAOYSA-N 1 0 457.409 4.593 20 0 JJADRO COC(OC)c1ccc(F)c(C[NH2+][C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001461381699 1067842897 /nfs/dbraw/zinc/84/28/97/1067842897.db2.gz XSOBFUJPUAPJQF-IFMALSPDSA-N 1 0 452.929 4.750 20 0 JJADRO Fc1ccc(Sc2ccc(C[NH2+]Cc3ccc(OCCN4CCOCC4)cc3)cc2)cc1 ZINC001461388871 1067844978 /nfs/dbraw/zinc/84/49/78/1067844978.db2.gz JFNYGXMXYVWCQY-UHFFFAOYSA-N 1 0 452.595 4.978 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001461394675 1067845366 /nfs/dbraw/zinc/84/53/66/1067845366.db2.gz VEICCJONFZYWOE-REWPJTCUSA-N 1 0 451.485 4.721 20 0 JJADRO COc1cc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)ccc1OCc1c(C)noc1C ZINC001461405075 1067847571 /nfs/dbraw/zinc/84/75/71/1067847571.db2.gz AMAFKLRITCGGCL-FQEVSTJZSA-N 1 0 450.457 4.721 20 0 JJADRO CN1CC[C@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461407970 1067848167 /nfs/dbraw/zinc/84/81/67/1067848167.db2.gz PICATWLDBZRLKX-AUUYWEPGSA-N 1 0 455.755 4.753 20 0 JJADRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461421666 1067852570 /nfs/dbraw/zinc/85/25/70/1067852570.db2.gz YCAUSXFOSZIZQL-JCTONOIOSA-N 1 0 453.631 4.899 20 0 JJADRO COc1cc(C[NH2+]Cc2ccc(-c3nc(C)no3)cc2)cc(Br)c1OC(F)F ZINC001461426032 1067853152 /nfs/dbraw/zinc/85/31/52/1067853152.db2.gz LMSRCURXFSSPBR-UHFFFAOYSA-N 1 0 454.271 4.707 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)N(C)C ZINC001461440234 1067857287 /nfs/dbraw/zinc/85/72/87/1067857287.db2.gz BJEDTTXQMAENFH-BKSPAHHJSA-N 1 0 455.643 4.927 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCN(c4ccccc4C(F)(F)F)C3)C[C@@H]2C1 ZINC001461443841 1067858217 /nfs/dbraw/zinc/85/82/17/1067858217.db2.gz IUWRZRPPEZOYBN-ZSYWTGECSA-N 1 0 453.549 4.909 20 0 JJADRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC001461452282 1067860355 /nfs/dbraw/zinc/86/03/55/1067860355.db2.gz DIIOIUGWNNLBEE-XZOQPEGZSA-N 1 0 459.428 4.759 20 0 JJADRO COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)CCc2ccc(I)cc2)cc1 ZINC001461459771 1067862075 /nfs/dbraw/zinc/86/20/75/1067862075.db2.gz JDAVXHXULMZXLP-SJORKVTESA-N 1 0 453.364 4.816 20 0 JJADRO O=S(=O)(NCCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1Cl ZINC001461460058 1067862216 /nfs/dbraw/zinc/86/22/16/1067862216.db2.gz DIJIUZYBTQYRPH-UHFFFAOYSA-N 1 0 456.420 4.575 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C(C)(C)C ZINC001461478953 1067869561 /nfs/dbraw/zinc/86/95/61/1067869561.db2.gz SLLLNDOQMWIVEN-QGZVFWFLSA-N 1 0 451.409 4.868 20 0 JJADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001461482499 1067871637 /nfs/dbraw/zinc/87/16/37/1067871637.db2.gz YVPDPUYAWLEICI-QHCPKHFHSA-N 1 0 456.030 4.563 20 0 JJADRO COC(=O)N1CCC(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)CC1 ZINC001461484340 1067872151 /nfs/dbraw/zinc/87/21/51/1067872151.db2.gz HFSITCPGBSDWKY-UHFFFAOYSA-N 1 0 452.530 4.680 20 0 JJADRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC001461510361 1067879131 /nfs/dbraw/zinc/87/91/31/1067879131.db2.gz DZLNGWNJLQNISX-LJQANCHMSA-N 1 0 458.375 4.692 20 0 JJADRO CCOc1c(Cl)cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)cc1OC ZINC001461509837 1067879218 /nfs/dbraw/zinc/87/92/18/1067879218.db2.gz BZAAXMHPOQXPNU-INIZCTEOSA-N 1 0 456.808 4.759 20 0 JJADRO Cc1cc(C[NH2+]C2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)ccc1C(F)(F)F ZINC001461511699 1067879569 /nfs/dbraw/zinc/87/95/69/1067879569.db2.gz CSLJODSNYYAQAU-KRWDZBQOSA-N 1 0 454.558 4.733 20 0 JJADRO OC[C@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)Cc1ccc(F)c(Br)c1 ZINC001461513780 1067879949 /nfs/dbraw/zinc/87/99/49/1067879949.db2.gz NVPTXCCINFUFEC-LBPRGKRZSA-N 1 0 452.698 4.784 20 0 JJADRO COc1cc(C[NH2+]CCc2cccc(C(F)(F)F)n2)cc(Br)c1OC(F)F ZINC001461527719 1067881882 /nfs/dbraw/zinc/88/18/82/1067881882.db2.gz JYFMOHODZAQGHT-UHFFFAOYSA-N 1 0 455.221 4.805 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001461532221 1067882949 /nfs/dbraw/zinc/88/29/49/1067882949.db2.gz XSTWNBZWTOWIRY-KRWDZBQOSA-N 1 0 453.384 4.662 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC001461537178 1067883921 /nfs/dbraw/zinc/88/39/21/1067883921.db2.gz HRZXZNIXZSVTIR-FVQHAEBGSA-N 1 0 450.402 4.528 20 0 JJADRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c(Br)c1O ZINC001461554373 1067886873 /nfs/dbraw/zinc/88/68/73/1067886873.db2.gz SWMIJRNLHJNSPZ-SHTZXODSSA-N 1 0 457.409 4.584 20 0 JJADRO COc1ccc(CNc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cc1OCC(N)=O ZINC001461590684 1067895770 /nfs/dbraw/zinc/89/57/70/1067895770.db2.gz CIZRTPDPBDVRSE-UHFFFAOYSA-N 1 0 459.590 4.551 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001461595740 1067896814 /nfs/dbraw/zinc/89/68/14/1067896814.db2.gz QNBQIXPWEZNTIZ-RTBURBONSA-N 1 0 465.660 4.967 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC[N@@H+]1Cc1ccccc1 ZINC001461597498 1067897972 /nfs/dbraw/zinc/89/79/72/1067897972.db2.gz KNOXIPPSVFBJFK-QHCPKHFHSA-N 1 0 453.533 4.921 20 0 JJADRO CC(C)[C@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001461598889 1067898561 /nfs/dbraw/zinc/89/85/61/1067898561.db2.gz NGQUHMAQUUGESN-XMMPIXPASA-N 1 0 451.611 4.945 20 0 JJADRO CNC(=O)[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1)Cc1ccc(F)cc1C ZINC001461602517 1067899514 /nfs/dbraw/zinc/89/95/14/1067899514.db2.gz VDKBPMKLWHXUGK-QFIPXVFZSA-N 1 0 450.554 4.513 20 0 JJADRO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461602926 1067899617 /nfs/dbraw/zinc/89/96/17/1067899617.db2.gz JRRMTXXBXUXJTK-VNQPRFMTSA-N 1 0 454.405 4.702 20 0 JJADRO CN(Cc1ccccc1C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001461619742 1067902915 /nfs/dbraw/zinc/90/29/15/1067902915.db2.gz QHAPRFUWAAISLU-SFHVURJKSA-N 1 0 457.562 4.692 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC001461627727 1067904907 /nfs/dbraw/zinc/90/49/07/1067904907.db2.gz ORNBARKLWSRCHA-ISJGIBHGSA-N 1 0 452.595 4.737 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC001461628297 1067905288 /nfs/dbraw/zinc/90/52/88/1067905288.db2.gz RMVIERRXLLUOJH-DKLXNKCPSA-N 1 0 452.595 4.901 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)cc1 ZINC001461629362 1067905304 /nfs/dbraw/zinc/90/53/04/1067905304.db2.gz RMVIERRXLLUOJH-NWVWQQAFSA-N 1 0 452.595 4.901 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1 ZINC001461630871 1067905628 /nfs/dbraw/zinc/90/56/28/1067905628.db2.gz VMMYXEULSFNWTQ-YHJOQWEYSA-N 1 0 472.651 4.706 20 0 JJADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1OCC ZINC001461644968 1067908581 /nfs/dbraw/zinc/90/85/81/1067908581.db2.gz HTHKATTWQYGZOC-LJQANCHMSA-N 1 0 453.421 4.660 20 0 JJADRO CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC([NH2+]C(C)C)CC2)CCOCC1 ZINC001546126169 1067915193 /nfs/dbraw/zinc/91/51/93/1067915193.db2.gz RUXXICOSRNVJTQ-HXUWFJFHSA-N 1 0 473.637 4.731 20 0 JJADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC001461673749 1067915441 /nfs/dbraw/zinc/91/54/41/1067915441.db2.gz WNIOQYHDZLNHCS-AWEZNQCLSA-N 1 0 458.356 4.560 20 0 JJADRO CN(C)C[C@H]([NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001461674275 1067915493 /nfs/dbraw/zinc/91/54/93/1067915493.db2.gz DNYJDBAPJMUOKA-HOTGVXAUSA-N 1 0 457.459 4.743 20 0 JJADRO CC(C)Sc1cc(Br)ccc1C[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001461696200 1067920461 /nfs/dbraw/zinc/92/04/61/1067920461.db2.gz WOPRERLHHWDJPR-UHFFFAOYSA-N 1 0 457.478 4.845 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC001461710698 1067923203 /nfs/dbraw/zinc/92/32/03/1067923203.db2.gz OMLOBYZUZLBFDI-FQEVSTJZSA-N 1 0 459.775 4.640 20 0 JJADRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(OCc2cccnc2)c1 ZINC001461735665 1067927293 /nfs/dbraw/zinc/92/72/93/1067927293.db2.gz OKMXXXASONJEMB-BVSLBCMMSA-N 1 0 453.583 4.547 20 0 JJADRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(OCc2cccnc2)c1 ZINC001461735667 1067927814 /nfs/dbraw/zinc/92/78/14/1067927814.db2.gz OKMXXXASONJEMB-NNWRFLSQSA-N 1 0 453.583 4.547 20 0 JJADRO COc1cc(CNCc2cc(N(C)C)cc[nH+]2)cc(Br)c1OCc1ccccc1 ZINC001461764620 1067932650 /nfs/dbraw/zinc/93/26/50/1067932650.db2.gz VQCNOXWIDPEGFZ-UHFFFAOYSA-N 1 0 456.384 4.788 20 0 JJADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC001461770456 1067933422 /nfs/dbraw/zinc/93/34/22/1067933422.db2.gz MLGSREARCUFFIA-RTWAWAEBSA-N 1 0 455.603 4.528 20 0 JJADRO CC[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1OC)C(=O)OC(C)(C)C ZINC001461774790 1067934917 /nfs/dbraw/zinc/93/49/17/1067934917.db2.gz LQPYWQUWTXYZJK-LLVKDONJSA-N 1 0 451.199 4.678 20 0 JJADRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC001461787876 1067937155 /nfs/dbraw/zinc/93/71/55/1067937155.db2.gz RVZMKWXVQQHCCA-OAHLLOKOSA-N 1 0 450.242 4.632 20 0 JJADRO O=C(C[NH2+]Cc1cc(Br)cc(Br)c1)N1CCCCc2ccccc21 ZINC001461788893 1067937184 /nfs/dbraw/zinc/93/71/84/1067937184.db2.gz FQDLFDYQTOYATO-UHFFFAOYSA-N 1 0 452.190 4.671 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC(C)(C)C)cc(Br)c1OC(F)F ZINC001461813806 1067940855 /nfs/dbraw/zinc/94/08/55/1067940855.db2.gz UWSQOKFMTXYCLD-OCCSQVGLSA-N 1 0 450.320 4.659 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)Cc2ccc(-n3cccc3)cc2)C1 ZINC001461830075 1067943237 /nfs/dbraw/zinc/94/32/37/1067943237.db2.gz KCUYRSRBEMYRQF-JOCHJYFZSA-N 1 0 452.396 4.692 20 0 JJADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001461844528 1067945422 /nfs/dbraw/zinc/94/54/22/1067945422.db2.gz JYPFRFYOMVVGLP-AVRDEDQJSA-N 1 0 459.428 4.950 20 0 JJADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCO1 ZINC001461854821 1067947699 /nfs/dbraw/zinc/94/76/99/1067947699.db2.gz YKJWFCVRTIKTOL-XMSQKQJNSA-N 1 0 451.007 4.882 20 0 JJADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCO1 ZINC001461854812 1067947725 /nfs/dbraw/zinc/94/77/25/1067947725.db2.gz YKJWFCVRTIKTOL-AVRDEDQJSA-N 1 0 451.007 4.882 20 0 JJADRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccccc2OCC(F)F)CC1 ZINC001461856095 1067948547 /nfs/dbraw/zinc/94/85/47/1067948547.db2.gz XTIAGLNNUQBCEJ-UHFFFAOYSA-N 1 0 453.327 4.944 20 0 JJADRO CC(=O)Nc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc(C(F)(F)F)c1 ZINC001461857459 1067948879 /nfs/dbraw/zinc/94/88/79/1067948879.db2.gz WLZGLCJVFLRZTD-OAQYLSRUSA-N 1 0 459.512 4.696 20 0 JJADRO COc1ccc(Br)cc1C[N@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461860130 1067949206 /nfs/dbraw/zinc/94/92/06/1067949206.db2.gz ACVMSFRNTHSSEK-CQSZACIVSA-N 1 0 455.315 4.735 20 0 JJADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC001461874041 1067952100 /nfs/dbraw/zinc/95/21/00/1067952100.db2.gz LFDMVPDKMLBDEB-FGZHOGPDSA-N 1 0 453.608 4.979 20 0 JJADRO Cc1ccc(C(=O)NC2CCN(Cc3cc4c(cc(F)cc4Br)[nH]3)CC2)s1 ZINC001461890427 1067955434 /nfs/dbraw/zinc/95/54/34/1067955434.db2.gz ZFCJCSVQRZKJSD-UHFFFAOYSA-N 1 0 450.377 4.834 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC001461898395 1067957003 /nfs/dbraw/zinc/95/70/03/1067957003.db2.gz MFSWBCLMYZTPFJ-XMMPIXPASA-N 1 0 450.023 4.525 20 0 JJADRO CC(C)(C)OC(=O)N1[C@H](C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1C1CC1 ZINC001461907013 1067959187 /nfs/dbraw/zinc/95/91/87/1067959187.db2.gz BXTLVKSAHMSPNU-ZEQRLZLVSA-N 1 0 455.643 4.583 20 0 JJADRO CCC[N@H+](Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCc2ccccc2C1 ZINC001461910131 1067959661 /nfs/dbraw/zinc/95/96/61/1067959661.db2.gz FNALFKTUYYIKBG-GOTSBHOMSA-N 1 0 453.631 4.620 20 0 JJADRO COc1ccc(N(C(C)=O)c2nc(CN3CCC(C[NH+]4CCCCCC4)CC3)cs2)cc1 ZINC001461929390 1067962802 /nfs/dbraw/zinc/96/28/02/1067962802.db2.gz TULWKDIHTQNZNL-UHFFFAOYSA-N 1 0 456.656 4.924 20 0 JJADRO O=C(Oc1cc(Cl)cnc1I)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001461945866 1067966414 /nfs/dbraw/zinc/96/64/14/1067966414.db2.gz JOELAEQGXWFNHH-UHFFFAOYSA-N 1 0 456.711 4.545 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001461948944 1067967166 /nfs/dbraw/zinc/96/71/66/1067967166.db2.gz JLQLREVTCIDTDY-FGZHOGPDSA-N 1 0 457.594 4.586 20 0 JJADRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cnc(NC(=O)OC(C)(C)C)s3)C2)cc1 ZINC001461956495 1067968942 /nfs/dbraw/zinc/96/89/42/1067968942.db2.gz CYCDKPGFBOXTRQ-KRWDZBQOSA-N 1 0 459.616 4.832 20 0 JJADRO CC[N@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001461969312 1067971393 /nfs/dbraw/zinc/97/13/93/1067971393.db2.gz PGULXDIVQHZXPC-UHFFFAOYSA-N 1 0 452.620 4.860 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461981448 1067974294 /nfs/dbraw/zinc/97/42/94/1067974294.db2.gz GESCRYNHCCTLPG-OAQYLSRUSA-N 1 0 453.428 4.897 20 0 JJADRO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccc(N(C)CCOC)nc1 ZINC001461993247 1067976536 /nfs/dbraw/zinc/97/65/36/1067976536.db2.gz GFTZEATZSHARPM-QFIPXVFZSA-N 1 0 450.549 4.674 20 0 JJADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001461996339 1067977048 /nfs/dbraw/zinc/97/70/48/1067977048.db2.gz QZRUZOKHUYNMBH-HFSMHLIXSA-N 1 0 455.599 4.778 20 0 JJADRO CCOc1ccc(C[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C(=O)OC)cc1 ZINC001462002456 1067978151 /nfs/dbraw/zinc/97/81/51/1067978151.db2.gz RVGLGTNKGIUHOT-CRAIPNDOSA-N 1 0 452.364 4.539 20 0 JJADRO COc1cc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc(OC)c1OCC(F)F ZINC001462010517 1067980058 /nfs/dbraw/zinc/98/00/58/1067980058.db2.gz UZBXBASWFKKLBE-UHFFFAOYSA-N 1 0 454.945 4.709 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[NH+]3CCN(Cc4cccc(Cl)c4)CC3)cccc2C1 ZINC001462022912 1067983201 /nfs/dbraw/zinc/98/32/01/1067983201.db2.gz ZDGDRWLSUQURNX-UHFFFAOYSA-N 1 0 456.030 4.951 20 0 JJADRO CCOC(=O)c1nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)sc1C ZINC001462025504 1067984232 /nfs/dbraw/zinc/98/42/32/1067984232.db2.gz JLFDLLWWNXKKBR-FCHUYYIVSA-N 1 0 463.603 4.791 20 0 JJADRO CC(=O)N(c1nc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001462045776 1067989034 /nfs/dbraw/zinc/98/90/34/1067989034.db2.gz FICHXWBQXNDRFA-KSFYIVLOSA-N 1 0 456.562 4.716 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC001462048833 1067990005 /nfs/dbraw/zinc/99/00/05/1067990005.db2.gz FBIVAITYWHTWSU-LRQRDZAKSA-N 1 0 456.608 4.856 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NC(=O)C[C@@H]3CCCc4ccccc43)c2)CC1 ZINC001462050202 1067990664 /nfs/dbraw/zinc/99/06/64/1067990664.db2.gz KGWMZWWKJGEWOJ-FQEVSTJZSA-N 1 0 450.583 4.587 20 0 JJADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)nc12 ZINC001462066195 1067995027 /nfs/dbraw/zinc/99/50/27/1067995027.db2.gz SHBCJOJXMFWCJG-HZPDHXFCSA-N 1 0 451.409 4.530 20 0 JJADRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC001462090708 1068000058 /nfs/dbraw/zinc/00/00/58/1068000058.db2.gz LXCXLCFFXWLFHA-ZDUSSCGKSA-N 1 0 454.411 4.624 20 0 JJADRO CCc1noc(C2CCC([NH2+]C3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)CC2)n1 ZINC001462108905 1068005624 /nfs/dbraw/zinc/00/56/24/1068005624.db2.gz FINBFVLAIQYBHS-UHFFFAOYSA-N 1 0 450.505 4.571 20 0 JJADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2I)[C@@H]1Oc1ccccc1 ZINC001462117756 1068007794 /nfs/dbraw/zinc/00/77/94/1068007794.db2.gz OENBFEVRUXEKAM-QRVBRYPASA-N 1 0 457.739 4.659 20 0 JJADRO CCOC(=O)[C@@H](NC1CC[NH+](Cc2ccccc2Br)CC1)c1cccc(C)c1C ZINC001462118545 1068007846 /nfs/dbraw/zinc/00/78/46/1068007846.db2.gz PVLIDCKGFOEIPZ-QHCPKHFHSA-N 1 0 459.428 4.924 20 0 JJADRO Cn1cc([C@H]([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)c2ccc(F)cc2)cn1 ZINC001462119315 1068008534 /nfs/dbraw/zinc/00/85/34/1068008534.db2.gz SBWDYPRTSPTSNP-RJGXRXQPSA-N 1 0 457.391 4.836 20 0 JJADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001462121872 1068009621 /nfs/dbraw/zinc/00/96/21/1068009621.db2.gz QHWCDVRBVOIQPH-ZUOKHONESA-N 1 0 455.318 4.578 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001462124824 1068010426 /nfs/dbraw/zinc/01/04/26/1068010426.db2.gz PTGFJCRLJMACTO-NQIIRXRSSA-N 1 0 452.986 4.597 20 0 JJADRO OC[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)cc1C(F)(F)F ZINC001462152268 1068016824 /nfs/dbraw/zinc/01/68/24/1068016824.db2.gz SVJSKIMMXXUTOH-FXAWDEMLSA-N 1 0 457.334 4.756 20 0 JJADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462158836 1068018798 /nfs/dbraw/zinc/01/87/98/1068018798.db2.gz RTGCDWGSAYMWTJ-ACJLOTCBSA-N 1 0 452.190 4.538 20 0 JJADRO CCC1CCC([N@H+](CCO)Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)OC)CC1 ZINC001462184195 1068024124 /nfs/dbraw/zinc/02/41/24/1068024124.db2.gz PWLIBFBJLGRXBL-UHFFFAOYSA-N 1 0 454.398 4.729 20 0 JJADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462183921 1068024404 /nfs/dbraw/zinc/02/44/04/1068024404.db2.gz NYRSFXMSJVTZAH-RKVPGOIHSA-N 1 0 454.409 4.544 20 0 JJADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001462198287 1068027591 /nfs/dbraw/zinc/02/75/91/1068027591.db2.gz LAPCSZFQYKECPE-LJQANCHMSA-N 1 0 454.949 4.683 20 0 JJADRO CCOC(=O)c1ccn(-c2cccc(C[NH2+]C3CC(c4ccccc4Br)C3)c2)n1 ZINC001462205331 1068028995 /nfs/dbraw/zinc/02/89/95/1068028995.db2.gz OZWFFIFFFRRUBY-UHFFFAOYSA-N 1 0 454.368 4.847 20 0 JJADRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001462228678 1068033283 /nfs/dbraw/zinc/03/32/83/1068033283.db2.gz GLYRCTJDHBWUSQ-JOCHJYFZSA-N 1 0 456.512 4.984 20 0 JJADRO COCC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)c1cccc(C(F)(F)F)c1 ZINC001462234192 1068034655 /nfs/dbraw/zinc/03/46/55/1068034655.db2.gz GAIPXOYNTSMGEZ-FOIQADDNSA-N 1 0 452.473 4.577 20 0 JJADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001462233620 1068035091 /nfs/dbraw/zinc/03/50/91/1068035091.db2.gz DJXJZGZRPARTMY-WIYYLYMNSA-N 1 0 450.023 4.630 20 0 JJADRO COC(=O)c1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cs1 ZINC001462253522 1068038417 /nfs/dbraw/zinc/03/84/17/1068038417.db2.gz CDBPQMRHFLIXCQ-UYAOXDASSA-N 1 0 462.587 4.804 20 0 JJADRO CCOC(=O)c1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)[nH]c1C ZINC001462254312 1068039186 /nfs/dbraw/zinc/03/91/86/1068039186.db2.gz GFEGUCVONVSYBB-DENIHFKCSA-N 1 0 473.589 4.769 20 0 JJADRO C[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001462259923 1068040027 /nfs/dbraw/zinc/04/00/27/1068040027.db2.gz JTJOGFQMKNKVCF-UHFFFAOYSA-N 1 0 452.521 4.829 20 0 JJADRO Brc1ncccc1C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001462263322 1068041273 /nfs/dbraw/zinc/04/12/73/1068041273.db2.gz PHBKNZPLUKEIFH-CQSZACIVSA-N 1 0 457.153 4.513 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(Br)cc2)C12CCOCC2 ZINC001462271921 1068041436 /nfs/dbraw/zinc/04/14/36/1068041436.db2.gz MGKSSQZVOTUABJ-WWAPKCSDSA-N 1 0 451.405 4.514 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462268890 1068041667 /nfs/dbraw/zinc/04/16/67/1068041667.db2.gz GABMIKRDYVQWFC-JYFHCDHNSA-N 1 0 456.696 4.859 20 0 JJADRO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC001462274445 1068042079 /nfs/dbraw/zinc/04/20/79/1068042079.db2.gz KNMYEPJIGICBNS-SWYJLVRNSA-N 1 0 459.606 4.645 20 0 JJADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH+]1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC001462280947 1068043356 /nfs/dbraw/zinc/04/33/56/1068043356.db2.gz UBZHUKVTDPBWRT-AREMUKBSSA-N 1 0 450.579 4.997 20 0 JJADRO CN(C)c1nc(C[NH2+]CCc2cnc(SC3CCCC3)nc2)c(Cl)n1-c1ccccc1 ZINC001462281717 1068043747 /nfs/dbraw/zinc/04/37/47/1068043747.db2.gz KOADNMWPOTYSPL-UHFFFAOYSA-N 1 0 457.047 4.749 20 0 JJADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC001462282923 1068043812 /nfs/dbraw/zinc/04/38/12/1068043812.db2.gz IIPXLBDAJHSSSU-NUEKZKHPSA-N 1 0 455.304 4.822 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC001462315915 1068050004 /nfs/dbraw/zinc/05/00/04/1068050004.db2.gz RUTYYTDJPIZLHA-ZCYQVOJMSA-N 1 0 457.659 4.961 20 0 JJADRO CCOC(=O)Cn1cc(C[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)c(-c2cccnc2)n1 ZINC001462356555 1068058133 /nfs/dbraw/zinc/05/81/33/1068058133.db2.gz IYAYKYBHZOONEA-XXBNENTESA-N 1 0 452.986 4.978 20 0 JJADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)sc1Br ZINC001462360196 1068059137 /nfs/dbraw/zinc/05/91/37/1068059137.db2.gz JYDKQBRKBJFRKP-UHFFFAOYSA-N 1 0 452.256 4.713 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400337 1068066305 /nfs/dbraw/zinc/06/63/05/1068066305.db2.gz XTLPIYRMDYNXDU-GCJKJVERSA-N 1 0 459.631 4.857 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410555 1068067988 /nfs/dbraw/zinc/06/79/88/1068067988.db2.gz ZVTFQUVYSPDMRK-QKLQHJQFSA-N 1 0 458.521 4.711 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001462409924 1068068151 /nfs/dbraw/zinc/06/81/51/1068068151.db2.gz XQKFIKCTGFJKRS-SBHAEUEKSA-N 1 0 454.558 4.615 20 0 JJADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc2ccc(-c3cccs3)cc2)cnn1C ZINC001462412973 1068069476 /nfs/dbraw/zinc/06/94/76/1068069476.db2.gz IBDFGUVWPJSGKZ-FQEVSTJZSA-N 1 0 454.640 4.930 20 0 JJADRO CC[C@@H]1[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CCN1C(=O)OC(C)(C)C ZINC001462435041 1068073546 /nfs/dbraw/zinc/07/35/46/1068073546.db2.gz GVXSTZKMAMKFES-JCGIZDLHSA-N 1 0 454.409 4.544 20 0 JJADRO CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC001462439920 1068074535 /nfs/dbraw/zinc/07/45/35/1068074535.db2.gz QBHAADGBEGNPNS-ADAARDCZSA-N 1 0 451.652 4.932 20 0 JJADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001462438842 1068074552 /nfs/dbraw/zinc/07/45/52/1068074552.db2.gz OBWAVPLPWNYLNC-JCGIZDLHSA-N 1 0 481.659 4.636 20 0 JJADRO CC(C)[C@@H]1CN(Cc2cccc(F)c2I)CC[N@@H+]1Cc1ccccc1 ZINC001462442004 1068075246 /nfs/dbraw/zinc/07/52/46/1068075246.db2.gz ULKFUXAONZKKKD-FQEVSTJZSA-N 1 0 452.355 4.773 20 0 JJADRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1F ZINC001462483378 1068082967 /nfs/dbraw/zinc/08/29/67/1068082967.db2.gz WPZUDNYGXBMTRZ-HXUWFJFHSA-N 1 0 458.574 4.975 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)C12CCOCC2 ZINC001462483951 1068083062 /nfs/dbraw/zinc/08/30/62/1068083062.db2.gz HXWYKWWKJKGMMA-PMACEKPBSA-N 1 0 451.970 4.555 20 0 JJADRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCOCC1 ZINC001462485601 1068083366 /nfs/dbraw/zinc/08/33/66/1068083366.db2.gz NUAISADFQRQIIC-UHFFFAOYSA-N 1 0 456.427 4.888 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@]3(C)Cc3cc(F)c(F)c(F)c3)cc2)CC1 ZINC001462494542 1068084827 /nfs/dbraw/zinc/08/48/27/1068084827.db2.gz JFSHJVMACYCWTR-AREMUKBSSA-N 1 0 459.556 4.872 20 0 JJADRO OCCC1(CCO)CC[NH+](Cc2ccccc2Oc2ccc(Br)cc2F)CC1 ZINC001462507458 1068087536 /nfs/dbraw/zinc/08/75/36/1068087536.db2.gz TYWJSCUVIKAMNO-UHFFFAOYSA-N 1 0 452.364 4.728 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538691 1068094134 /nfs/dbraw/zinc/09/41/34/1068094134.db2.gz ZBLIVUITMOUREA-KBMIEXCESA-N 1 0 457.640 4.961 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538842 1068094606 /nfs/dbraw/zinc/09/46/06/1068094606.db2.gz ZQHQCHNENIWWKR-KSFYIVLOSA-N 1 0 451.355 4.593 20 0 JJADRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)COc1ccccc1OCC(F)(F)F ZINC001462540588 1068094709 /nfs/dbraw/zinc/09/47/09/1068094709.db2.gz VFEOSVXPWKYHGU-FQEVSTJZSA-N 1 0 450.501 4.520 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+][C@H](CO)c3ccc(Br)cc3)CC[C@@H]21 ZINC001462543705 1068095133 /nfs/dbraw/zinc/09/51/33/1068095133.db2.gz RQQLVAXVPXCXRT-AFYVEPGGSA-N 1 0 453.421 4.640 20 0 JJADRO COc1ccc(NC(=O)C[C@@H](C)[N@@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)cc1 ZINC001462550386 1068096611 /nfs/dbraw/zinc/09/66/11/1068096611.db2.gz ZNXNBTUGYLHNJQ-QGZVFWFLSA-N 1 0 455.555 4.654 20 0 JJADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC001462554066 1068097328 /nfs/dbraw/zinc/09/73/28/1068097328.db2.gz AWYKRXLODKOOGG-LBPRGKRZSA-N 1 0 450.283 4.889 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001462553586 1068097413 /nfs/dbraw/zinc/09/74/13/1068097413.db2.gz KYSBTHVESYOCPG-KRQVXIAISA-N 1 0 456.608 4.856 20 0 JJADRO Cc1cc(C2OCCO2)c(C)cc1C[NH2+]C[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001462557190 1068097831 /nfs/dbraw/zinc/09/78/31/1068097831.db2.gz GJIHTUVRMNLDDS-HSZRJFAPSA-N 1 0 452.595 4.800 20 0 JJADRO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001462560257 1068098583 /nfs/dbraw/zinc/09/85/83/1068098583.db2.gz XGMYJTAKBXDQRK-NRFANRHFSA-N 1 0 459.638 4.946 20 0 JJADRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001462578993 1068103209 /nfs/dbraw/zinc/10/32/09/1068103209.db2.gz UWZNDAFXBRCSJI-NQIIRXRSSA-N 1 0 455.565 4.920 20 0 JJADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](Cc1ccccc1-c1ccccc1C)C2 ZINC001462577862 1068103279 /nfs/dbraw/zinc/10/32/79/1068103279.db2.gz PFGLSTOSHRKJNT-RZIGYZOXSA-N 1 0 464.606 4.940 20 0 JJADRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC3)c2c1 ZINC001462600742 1068109490 /nfs/dbraw/zinc/10/94/90/1068109490.db2.gz AWPZUYVXULNKNS-FQEVSTJZSA-N 1 0 457.615 4.931 20 0 JJADRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC3)c2c1 ZINC001462600745 1068109548 /nfs/dbraw/zinc/10/95/48/1068109548.db2.gz AWPZUYVXULNKNS-HXUWFJFHSA-N 1 0 457.615 4.931 20 0 JJADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)c1 ZINC001462604310 1068110189 /nfs/dbraw/zinc/11/01/89/1068110189.db2.gz NADNQIUNDINLFY-LXHIVTORSA-N 1 0 451.611 4.927 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001462618741 1068113683 /nfs/dbraw/zinc/11/36/83/1068113683.db2.gz RBESXWAKSBIGIC-YPCDYVTLSA-N 1 0 459.631 4.804 20 0 JJADRO CN1CC[C@@H]([NH2+]CC(=O)N2CCCCc3ccccc32)C[C@H]1c1ccc(Br)cc1 ZINC001462622384 1068115083 /nfs/dbraw/zinc/11/50/83/1068115083.db2.gz MFODRKCUHYYMCZ-GGAORHGYSA-N 1 0 456.428 4.544 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC001462630222 1068117608 /nfs/dbraw/zinc/11/76/08/1068117608.db2.gz RETPZUIKPXVSII-ZDUSSCGKSA-N 1 0 455.422 4.637 20 0 JJADRO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cc1 ZINC001462639229 1068120803 /nfs/dbraw/zinc/12/08/03/1068120803.db2.gz SWWNZBCMIRBKOF-IERDGZPVSA-N 1 0 458.400 4.663 20 0 JJADRO Cn1c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCOCC2)cc2cc(C(F)(F)F)ccc21 ZINC001462643959 1068122414 /nfs/dbraw/zinc/12/24/14/1068122414.db2.gz JIAFVBJSUNIKRI-UHFFFAOYSA-N 1 0 459.512 4.608 20 0 JJADRO COc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001462676109 1068129334 /nfs/dbraw/zinc/12/93/34/1068129334.db2.gz VVSJVLAMXMZPQF-OAQYLSRUSA-N 1 0 456.583 4.681 20 0 JJADRO Cc1cc(Br)sc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC001462826802 1068179149 /nfs/dbraw/zinc/17/91/49/1068179149.db2.gz WKPOIYIOVLKYNC-OAHLLOKOSA-N 1 0 457.459 4.672 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001462829036 1068180840 /nfs/dbraw/zinc/18/08/40/1068180840.db2.gz HFXXSCUSAHKLIS-OAHLLOKOSA-N 1 0 458.958 4.794 20 0 JJADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001462829251 1068180850 /nfs/dbraw/zinc/18/08/50/1068180850.db2.gz GNFOAQHYZKEAPD-RTWAWAEBSA-N 1 0 454.014 4.919 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)Cc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001462839101 1068185813 /nfs/dbraw/zinc/18/58/13/1068185813.db2.gz SVTUSZLUBQBHJC-ROUUACIJSA-N 1 0 454.558 4.803 20 0 JJADRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899351 1068208141 /nfs/dbraw/zinc/20/81/41/1068208141.db2.gz XHQBJWUMXCIDAX-KNQAVFIVSA-N 1 0 457.640 4.517 20 0 JJADRO COc1c(C)cc(C)cc1S(=O)(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC001462920587 1068214767 /nfs/dbraw/zinc/21/47/67/1068214767.db2.gz MVGCCFMNVUMHJS-UHFFFAOYSA-N 1 0 459.439 4.761 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001546135188 1068215339 /nfs/dbraw/zinc/21/53/39/1068215339.db2.gz QFMLMSXRGMPZNX-UPVQGACJSA-N 1 0 459.993 4.801 20 0 JJADRO O=S(=O)(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(F)c(C(F)F)c1 ZINC001463033385 1068258188 /nfs/dbraw/zinc/25/81/88/1068258188.db2.gz VCDVCHLYWSITCY-UHFFFAOYSA-N 1 0 454.558 4.777 20 0 JJADRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccc(F)cc2Br)CCCC1)c1ccccc1 ZINC001463035628 1068259012 /nfs/dbraw/zinc/25/90/12/1068259012.db2.gz MOWCEVVIKQCUFD-HNNXBMFYSA-N 1 0 455.393 4.530 20 0 JJADRO Cc1cc(Br)ccc1S(=O)(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001463039679 1068260054 /nfs/dbraw/zinc/26/00/54/1068260054.db2.gz ZRPWYSLVRCFXCC-KRWDZBQOSA-N 1 0 451.430 4.699 20 0 JJADRO CC(C)C[C@@H](CNS(=O)(=O)c1c2ncsc2ccc1Cl)[NH2+][C@@H](C)c1ccccc1 ZINC001463073764 1068277972 /nfs/dbraw/zinc/27/79/72/1068277972.db2.gz KICUAPYEHMMCRL-RDJZCZTQSA-N 1 0 452.045 4.994 20 0 JJADRO Cc1cccc(C(C)(C)NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c1 ZINC001463128038 1068296782 /nfs/dbraw/zinc/29/67/82/1068296782.db2.gz RHYJMAFGHVAAPT-IZZNHLLZSA-N 1 0 466.622 4.957 20 0 JJADRO C[C@@]1(NC(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463149614 1068303594 /nfs/dbraw/zinc/30/35/94/1068303594.db2.gz OQLPSEZQRUNFOG-KNAFXUBQSA-N 1 0 460.540 4.909 20 0 JJADRO COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(OC(F)F)c1 ZINC001463174229 1068309587 /nfs/dbraw/zinc/30/95/87/1068309587.db2.gz CRTHFYWISLKFAK-XZOQPEGZSA-N 1 0 452.501 4.695 20 0 JJADRO CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001463176084 1068310335 /nfs/dbraw/zinc/31/03/35/1068310335.db2.gz OULQTYCHFPWACK-RRPNLBNLSA-N 1 0 469.629 4.861 20 0 JJADRO CO[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1Br ZINC001463176775 1068310405 /nfs/dbraw/zinc/31/04/05/1068310405.db2.gz PTKMRWXLNIFJBI-CAOCKLPOSA-N 1 0 479.418 4.921 20 0 JJADRO CC(C)[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1cnn(C)c1 ZINC001463190852 1068315160 /nfs/dbraw/zinc/31/51/60/1068315160.db2.gz INFWQQGZLNCDSA-GVAUOCQISA-N 1 0 451.014 4.803 20 0 JJADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001463229725 1068328407 /nfs/dbraw/zinc/32/84/07/1068328407.db2.gz IVAZLPXSTIURKT-QPPBQGQZSA-N 1 0 450.604 4.597 20 0 JJADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CC[N@@H+]1Cc1ccccc1 ZINC001463231570 1068329251 /nfs/dbraw/zinc/32/92/51/1068329251.db2.gz OFNMIXSYIZJZHT-MJGOQNOKSA-N 1 0 457.665 4.925 20 0 JJADRO COc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C(C)C ZINC001463286661 1068345072 /nfs/dbraw/zinc/34/50/72/1068345072.db2.gz ZPLPVLPPSQAXCX-UPVQGACJSA-N 1 0 456.652 4.802 20 0 JJADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)CC(C)C ZINC001463310797 1068352152 /nfs/dbraw/zinc/35/21/52/1068352152.db2.gz VHYAILANWKLNLS-AWEZNQCLSA-N 1 0 459.372 4.503 20 0 JJADRO Cc1ccc(I)c(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001463345173 1068364223 /nfs/dbraw/zinc/36/42/23/1068364223.db2.gz VJFJOCJUSOAMFE-AABGKKOBSA-N 1 0 474.386 4.630 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)c1 ZINC001463398173 1068384083 /nfs/dbraw/zinc/38/40/83/1068384083.db2.gz VSDVOCMYADGWMW-QFIPXVFZSA-N 1 0 459.631 4.773 20 0 JJADRO O=C(CCc1cc(C(F)(F)F)ccc1Br)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001463400023 1068385002 /nfs/dbraw/zinc/38/50/02/1068385002.db2.gz PEYIKEGBFXERII-UHFFFAOYSA-N 1 0 456.306 4.581 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001463412832 1068389735 /nfs/dbraw/zinc/38/97/35/1068389735.db2.gz LTUZXDDMXUHYOZ-KCWPFWIISA-N 1 0 455.643 4.681 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)c3Cl)c3cnccc32)CC1 ZINC001463427576 1068393310 /nfs/dbraw/zinc/39/33/10/1068393310.db2.gz CKQBQILKVZNARL-UHFFFAOYSA-N 1 0 459.775 4.655 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)c1ccccc1 ZINC001463425750 1068393350 /nfs/dbraw/zinc/39/33/50/1068393350.db2.gz MYRJMOYGSNEMSZ-JOCHJYFZSA-N 1 0 455.400 4.838 20 0 JJADRO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c2ccncc12 ZINC001463430556 1068395077 /nfs/dbraw/zinc/39/50/77/1068395077.db2.gz JGNKGYMWNTUKIW-XMMPIXPASA-N 1 0 452.986 4.682 20 0 JJADRO CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC001463466285 1068410187 /nfs/dbraw/zinc/41/01/87/1068410187.db2.gz RMOAQUXDMSDVMU-JOCHJYFZSA-N 1 0 452.620 4.912 20 0 JJADRO COc1ccc([C@@H](CNC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)[NH+]2CCCC2)cc1 ZINC001463561117 1068443358 /nfs/dbraw/zinc/44/33/58/1068443358.db2.gz CIKWWRKCMMYFMA-HXUWFJFHSA-N 1 0 459.468 4.936 20 0 JJADRO CC(C)(C)c1nc2ccc(S(=O)(=O)NC[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)cc2s1 ZINC001463639467 1068478243 /nfs/dbraw/zinc/47/82/43/1068478243.db2.gz SCSTVTYHLZBKRK-XMMPIXPASA-N 1 0 457.665 4.784 20 0 JJADRO COc1ccc([C@H](CNC(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)[NH+]2CCCCC2)cc1 ZINC001463663091 1068487022 /nfs/dbraw/zinc/48/70/22/1068487022.db2.gz XRFLJCUWLDEFOA-GOTSBHOMSA-N 1 0 459.631 4.518 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(N(C)C(=O)OC(C)(C)C)s3)c(C)c2)CC1 ZINC001463710219 1068501385 /nfs/dbraw/zinc/50/13/85/1068501385.db2.gz WBMQKACZPCKPJC-UHFFFAOYSA-N 1 0 458.628 4.822 20 0 JJADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001463722396 1068504797 /nfs/dbraw/zinc/50/47/97/1068504797.db2.gz BGHGJHFCMDKTAZ-ROUUACIJSA-N 1 0 456.412 4.631 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001463731287 1068506767 /nfs/dbraw/zinc/50/67/67/1068506767.db2.gz QWJLJSBNEDCTNU-OAQYLSRUSA-N 1 0 457.659 4.871 20 0 JJADRO CCOC1(CNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CCCC1 ZINC001463762093 1068516425 /nfs/dbraw/zinc/51/64/25/1068516425.db2.gz GJFPTXGXZXOBJD-BJKOFHAPSA-N 1 0 477.070 4.577 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2ccc(Br)s2)n1)Cc1ccccc1 ZINC001463769089 1068518637 /nfs/dbraw/zinc/51/86/37/1068518637.db2.gz HZYMRTRWTZNMGV-CQSZACIVSA-N 1 0 450.427 4.537 20 0 JJADRO COc1cccc([C@@H](CNC(=O)CSc2cc(C)c(Br)cc2C)[NH+](C)C)c1 ZINC001463770539 1068519185 /nfs/dbraw/zinc/51/91/85/1068519185.db2.gz QMIDZVXVBNBOOK-LJQANCHMSA-N 1 0 451.430 4.586 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)[NH+](C)C)c1 ZINC001463770495 1068519267 /nfs/dbraw/zinc/51/92/67/1068519267.db2.gz QHSLBYMMUSYHFG-MHZLTWQESA-N 1 0 454.574 4.889 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC001463774057 1068521155 /nfs/dbraw/zinc/52/11/55/1068521155.db2.gz XJLKPLOZTNLBMO-XMMPIXPASA-N 1 0 451.611 4.945 20 0 JJADRO CCc1ccc([C@@H](CNS(=O)(=O)Cc2ccsc2Br)[NH+](CC)CC)cc1 ZINC001463790071 1068524538 /nfs/dbraw/zinc/52/45/38/1068524538.db2.gz DIWJIBMEGYANBW-GOSISDBHSA-N 1 0 459.475 4.576 20 0 JJADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nccnc1SCc1ccccc1 ZINC001463793991 1068526444 /nfs/dbraw/zinc/52/64/44/1068526444.db2.gz DUYLMILNSPCRGS-UHFFFAOYSA-N 1 0 453.011 4.817 20 0 JJADRO CCCc1ccc(N2C[C@H](C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC2=O)cc1 ZINC001463827040 1068538939 /nfs/dbraw/zinc/53/89/39/1068538939.db2.gz YUIRZNPQOUJGQA-YKSBVNFPSA-N 1 0 454.014 4.599 20 0 JJADRO CO[C@H](CC(C)C)CS(=O)(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001463832188 1068540478 /nfs/dbraw/zinc/54/04/78/1068540478.db2.gz DTSVXMZLPKCBLN-JWQCQUIFSA-N 1 0 450.689 4.534 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001463838652 1068543091 /nfs/dbraw/zinc/54/30/91/1068543091.db2.gz QNAMLEMSAGHWFC-WAOWUJCRSA-N 1 0 450.023 4.677 20 0 JJADRO CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463839591 1068543545 /nfs/dbraw/zinc/54/35/45/1068543545.db2.gz XIMIPBIHHMEXRY-RTWAWAEBSA-N 1 0 452.039 4.923 20 0 JJADRO O=C(c1cc(Cl)cc(Br)c1F)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001463872714 1068552319 /nfs/dbraw/zinc/55/23/19/1068552319.db2.gz FVCHLIUKHCCCED-UHFFFAOYSA-N 1 0 451.767 4.905 20 0 JJADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001463874664 1068552960 /nfs/dbraw/zinc/55/29/60/1068552960.db2.gz QFFUPVMVCBOTMH-KRWDZBQOSA-N 1 0 459.403 4.816 20 0 JJADRO CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[NH+](C(C)C)CC2)CCCC1 ZINC001546142424 1068553570 /nfs/dbraw/zinc/55/35/70/1068553570.db2.gz JUMRQIRSXUWVLB-JOCHJYFZSA-N 1 0 488.721 4.893 20 0 JJADRO CCCc1ccc(N2C[C@H](C(=O)NC[C@@H](c3ccccc3Cl)[NH+](CC)CC)CC2=O)cc1 ZINC001463912100 1068562751 /nfs/dbraw/zinc/56/27/51/1068562751.db2.gz IJLAEKCBWQMRDC-YKSBVNFPSA-N 1 0 456.030 4.845 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1Cl ZINC001463913385 1068563524 /nfs/dbraw/zinc/56/35/24/1068563524.db2.gz JBMKQNCZJBNSBT-UEXGIBASSA-N 1 0 452.039 4.923 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1Cl ZINC001463917151 1068565720 /nfs/dbraw/zinc/56/57/20/1068565720.db2.gz OSUDMGQOGZFBLE-NRFANRHFSA-N 1 0 450.023 4.796 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001464050195 1068600553 /nfs/dbraw/zinc/60/05/53/1068600553.db2.gz KSUTUMAYEXNGIS-UHFFFAOYSA-N 1 0 451.366 4.804 20 0 JJADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001464071777 1068604938 /nfs/dbraw/zinc/60/49/38/1068604938.db2.gz HAWDERYEWDVUJO-KRWDZBQOSA-N 1 0 457.500 4.557 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3c(C)ccc(Br)c3C)CC2)c1 ZINC001464097774 1068614083 /nfs/dbraw/zinc/61/40/83/1068614083.db2.gz CRMCXHBFYCNWAN-UHFFFAOYSA-N 1 0 458.444 4.707 20 0 JJADRO O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001464099083 1068614708 /nfs/dbraw/zinc/61/47/08/1068614708.db2.gz XVYBAYZUEOPWDD-JXMROGBWSA-N 1 0 451.920 4.701 20 0 JJADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001464102335 1068615996 /nfs/dbraw/zinc/61/59/96/1068615996.db2.gz VIYHLXWBINBKJH-UHFFFAOYSA-N 1 0 454.368 4.938 20 0 JJADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001464103243 1068616896 /nfs/dbraw/zinc/61/68/96/1068616896.db2.gz XRGVKDIDZQBIPI-UHFFFAOYSA-N 1 0 455.484 4.765 20 0 JJADRO COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001464105151 1068617420 /nfs/dbraw/zinc/61/74/20/1068617420.db2.gz FYIIYLFIZZUTIW-HSZRJFAPSA-N 1 0 453.583 4.886 20 0 JJADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001464118427 1068621273 /nfs/dbraw/zinc/62/12/73/1068621273.db2.gz CKVPPLGXUMYRBD-JKHIJQBDSA-N 1 0 451.577 4.940 20 0 JJADRO Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001464122991 1068623056 /nfs/dbraw/zinc/62/30/56/1068623056.db2.gz RZNZEVTYHCUAJL-SZPZYZBQSA-N 1 0 456.586 4.765 20 0 JJADRO CCN(CC)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001464123227 1068623187 /nfs/dbraw/zinc/62/31/87/1068623187.db2.gz DDLFINSJASRHRR-UHFFFAOYSA-N 1 0 456.634 4.785 20 0 JJADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)CN(Cc3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 ZINC001464125116 1068624234 /nfs/dbraw/zinc/62/42/34/1068624234.db2.gz YSCVWPRPUKHHFR-ZEQRLZLVSA-N 1 0 457.618 4.619 20 0 JJADRO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001464134387 1068628578 /nfs/dbraw/zinc/62/85/78/1068628578.db2.gz FMDMNGYFTCTFNS-FQEVSTJZSA-N 1 0 452.039 4.924 20 0 JJADRO CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001464134694 1068629460 /nfs/dbraw/zinc/62/94/60/1068629460.db2.gz YQDWEPKEANFSNY-HXUWFJFHSA-N 1 0 458.444 4.794 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001464157981 1068637030 /nfs/dbraw/zinc/63/70/30/1068637030.db2.gz NXFCNKISYHMKRT-WXVAWEFUSA-N 1 0 455.602 4.849 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCCn3ccc4cc(Cl)ccc43)cc2)CC1 ZINC001464162499 1068639007 /nfs/dbraw/zinc/63/90/07/1068639007.db2.gz XAYZSXJGZORZDC-UHFFFAOYSA-N 1 0 453.030 4.529 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001464198431 1068652766 /nfs/dbraw/zinc/65/27/66/1068652766.db2.gz IKVBTPQZDYYEQD-NRFANRHFSA-N 1 0 456.587 4.517 20 0 JJADRO C[C@H](CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC001464199764 1068653585 /nfs/dbraw/zinc/65/35/85/1068653585.db2.gz OYMAXNOCZQQSMW-RTBURBONSA-N 1 0 455.002 4.648 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1 ZINC001464205538 1068656086 /nfs/dbraw/zinc/65/60/86/1068656086.db2.gz LVUALVPUUYRPCL-HSZRJFAPSA-N 1 0 459.999 4.628 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCCCN3C(=O)OC(C)(C)C)cc2)C1 ZINC001464209112 1068658654 /nfs/dbraw/zinc/65/86/54/1068658654.db2.gz FAYCPXIZAQBBIC-ZFGGDYGUSA-N 1 0 457.659 4.960 20 0 JJADRO CC1CC[NH+](CCCCNC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)CC1 ZINC001464210737 1068659323 /nfs/dbraw/zinc/65/93/23/1068659323.db2.gz DFJJMIVMYMLRPR-QHCPKHFHSA-N 1 0 457.659 4.873 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3(OCc4ccccc4)CCOCC3)cc2)C1 ZINC001464213978 1068660364 /nfs/dbraw/zinc/66/03/64/1068660364.db2.gz VBOWNZSEZDDJCO-DHIUTWEWSA-N 1 0 450.623 4.547 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3coc(CNC(=O)OC(C)(C)C)c3)cc2)C1 ZINC001464216891 1068661148 /nfs/dbraw/zinc/66/11/48/1068661148.db2.gz ZUFDVEYPAAUPTA-OALUTQOASA-N 1 0 455.599 4.712 20 0 JJADRO CCn1c2ccccc2nc1SCC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001464218000 1068661815 /nfs/dbraw/zinc/66/18/15/1068661815.db2.gz RWOHMUUGVDCKHS-WOJBJXKFSA-N 1 0 450.652 4.943 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC001464227037 1068665637 /nfs/dbraw/zinc/66/56/37/1068665637.db2.gz GMTIHMMECYSFTG-UKILVPOCSA-N 1 0 471.022 4.604 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001464259360 1068679301 /nfs/dbraw/zinc/67/93/01/1068679301.db2.gz BEHAWESFGPEPFJ-UHFFFAOYSA-N 1 0 451.611 4.752 20 0 JJADRO Cc1nc(NC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)sc1Cc1ccccc1Cl ZINC001464321423 1068704591 /nfs/dbraw/zinc/70/45/91/1068704591.db2.gz XHVLOHAWACZZJC-DEOSSOPVSA-N 1 0 456.011 4.661 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001464321453 1068705045 /nfs/dbraw/zinc/70/50/45/1068705045.db2.gz JJDBQLXIJBDLAX-NDEPHWFRSA-N 1 0 458.602 4.778 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)[NH+]1CCCCC1 ZINC001464334554 1068710247 /nfs/dbraw/zinc/71/02/47/1068710247.db2.gz NTGVJEKHYWFRAY-NRFANRHFSA-N 1 0 456.384 4.896 20 0 JJADRO CN(C(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC001464334029 1068710313 /nfs/dbraw/zinc/71/03/13/1068710313.db2.gz RIOXMSBCCHFVAC-UHFFFAOYSA-N 1 0 455.574 4.738 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC001464342504 1068713023 /nfs/dbraw/zinc/71/30/23/1068713023.db2.gz ZXJCEZOTERAJDD-MDNUFGMLSA-N 1 0 473.658 4.812 20 0 JJADRO CC(C)(C)CC[NH+]1CCN(C(=O)CCCCc2ccc(I)cc2)CC1 ZINC001464375694 1068723712 /nfs/dbraw/zinc/72/37/12/1068723712.db2.gz GISROTQDPHWZDQ-UHFFFAOYSA-N 1 0 456.412 4.584 20 0 JJADRO CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001464376784 1068724117 /nfs/dbraw/zinc/72/41/17/1068724117.db2.gz OWXJKKIKEMEJRC-YADHBBJMSA-N 1 0 478.077 4.871 20 0 JJADRO CCC1(Cn2c(CC(C)C)nnc2N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC001546146577 1068728213 /nfs/dbraw/zinc/72/82/13/1068728213.db2.gz WTNKEWRTAHEKSM-XMMPIXPASA-N 1 0 453.675 4.784 20 0 JJADRO C[C@@H]1CCC[C@](CNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)([NH+](C)C)C1 ZINC001464394713 1068730253 /nfs/dbraw/zinc/73/02/53/1068730253.db2.gz ASRZWDLYPBVMIC-LQCMOVKCSA-N 1 0 452.639 4.952 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001464399999 1068733039 /nfs/dbraw/zinc/73/30/39/1068733039.db2.gz DRELXMHYJGJPGM-VWNXMTODSA-N 1 0 458.643 4.594 20 0 JJADRO CCCc1c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)nnn1-c1cccc(Cl)c1 ZINC001464410538 1068736813 /nfs/dbraw/zinc/73/68/13/1068736813.db2.gz RVYDQSNVSSNHPQ-UHFFFAOYSA-N 1 0 452.002 4.515 20 0 JJADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC001464421072 1068739849 /nfs/dbraw/zinc/73/98/49/1068739849.db2.gz YLLXYFHALBZYCC-MRXNPFEDSA-N 1 0 455.382 4.548 20 0 JJADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001464435073 1068744456 /nfs/dbraw/zinc/74/44/56/1068744456.db2.gz VOSSBFFBZMQUQB-AWWSKVOZSA-N 1 0 457.659 4.727 20 0 JJADRO CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC001464493127 1068765740 /nfs/dbraw/zinc/76/57/40/1068765740.db2.gz BDLVNBHVCCAAPO-HSZRJFAPSA-N 1 0 459.631 4.520 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc2c(c1)OC(F)(F)O2)c1ccc(C(F)(F)F)cc1 ZINC001464503230 1068767320 /nfs/dbraw/zinc/76/73/20/1068767320.db2.gz ZHRBMVJWTKCOIY-KRWDZBQOSA-N 1 0 458.427 4.769 20 0 JJADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cnc2ncc(Br)cc2c1 ZINC001464522260 1068772328 /nfs/dbraw/zinc/77/23/28/1068772328.db2.gz ZTCNUWMBWOEZQG-UHFFFAOYSA-N 1 0 453.384 4.698 20 0 JJADRO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC001464544350 1068777877 /nfs/dbraw/zinc/77/78/77/1068777877.db2.gz YGCFGVXXHKHRNS-RDPSFJRHSA-N 1 0 451.014 4.972 20 0 JJADRO CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1Cl ZINC001464550371 1068778898 /nfs/dbraw/zinc/77/88/98/1068778898.db2.gz UUVRUUTXNJJFBG-UHFFFAOYSA-N 1 0 450.023 4.954 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccco1 ZINC001464549363 1068778928 /nfs/dbraw/zinc/77/89/28/1068778928.db2.gz HDILGQBKFJVSKO-DEOSSOPVSA-N 1 0 458.562 4.954 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1[nH]nc2c1CCCC2)[NH+](C)C ZINC001464552305 1068779572 /nfs/dbraw/zinc/77/95/72/1068779572.db2.gz WBIFGPUADDOVAI-JOCHJYFZSA-N 1 0 451.442 4.753 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCn2ccc3cc(Cl)ccc32)CC1 ZINC001464557929 1068780768 /nfs/dbraw/zinc/78/07/68/1068780768.db2.gz GPPLKMUDDODNLF-GOSISDBHSA-N 1 0 456.993 4.843 20 0 JJADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(Cl)cc(Br)c1N ZINC001464561257 1068782364 /nfs/dbraw/zinc/78/23/64/1068782364.db2.gz NWZMQLVEJFSVTQ-UHFFFAOYSA-N 1 0 454.821 4.794 20 0 JJADRO Cc1csc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1I ZINC001464580893 1068790379 /nfs/dbraw/zinc/79/03/79/1068790379.db2.gz DHWQEHVLEBEIKJ-MRXNPFEDSA-N 1 0 454.377 4.536 20 0 JJADRO COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001464600325 1068795322 /nfs/dbraw/zinc/79/53/22/1068795322.db2.gz CMRMDNOQZIJMMX-ATIYNZHBSA-N 1 0 450.623 4.546 20 0 JJADRO Cc1ccc(C)c(SCc2cccc(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)c2)c1 ZINC001464606024 1068797369 /nfs/dbraw/zinc/79/73/69/1068797369.db2.gz BVANPXDJPAMODG-UHFFFAOYSA-N 1 0 451.680 4.884 20 0 JJADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001464628880 1068803798 /nfs/dbraw/zinc/80/37/98/1068803798.db2.gz LJSCABCCEKVICU-FBBABVLZSA-N 1 0 455.565 4.632 20 0 JJADRO CCN(CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl ZINC001464640467 1068808109 /nfs/dbraw/zinc/80/81/09/1068808109.db2.gz YKRTZFGKIHVVFL-UHFFFAOYSA-N 1 0 455.952 4.771 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC001464643850 1068809376 /nfs/dbraw/zinc/80/93/76/1068809376.db2.gz TVZQIVMWLNXSHN-UHFFFAOYSA-N 1 0 452.755 4.927 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cs1 ZINC001464654290 1068813393 /nfs/dbraw/zinc/81/33/93/1068813393.db2.gz ZGADWULUIVFZBN-INIZCTEOSA-N 1 0 450.649 4.503 20 0 JJADRO CC(C)(O)CN1CCN(C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001464664212 1068816808 /nfs/dbraw/zinc/81/68/08/1068816808.db2.gz DVXAXIMPYSKUIX-HXUWFJFHSA-N 1 0 453.435 4.742 20 0 JJADRO CCCN(C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464675497 1068820989 /nfs/dbraw/zinc/82/09/89/1068820989.db2.gz NVJGDHLZSGNTCA-ZEQRLZLVSA-N 1 0 454.014 4.596 20 0 JJADRO CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CCCCC1 ZINC001464691749 1068826887 /nfs/dbraw/zinc/82/68/87/1068826887.db2.gz SINRPBZCOPPRAZ-UHFFFAOYSA-N 1 0 457.615 4.732 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000009662231 562956761 /nfs/dbraw/zinc/95/67/61/562956761.db2.gz QZXSTQQPLVADHR-UHFFFAOYSA-N 1 0 467.573 4.621 20 0 JJADRO O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000033693735 563110769 /nfs/dbraw/zinc/11/07/69/563110769.db2.gz DVHXNDRWLCRYJG-MRXNPFEDSA-N 1 0 464.311 4.736 20 0 JJADRO O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000033693737 563110787 /nfs/dbraw/zinc/11/07/87/563110787.db2.gz DVHXNDRWLCRYJG-INIZCTEOSA-N 1 0 464.311 4.736 20 0 JJADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCC5(CC[NH2+]CC5)[C@H]4C(F)(F)F)c32)C1 ZINC001164389348 718815333 /nfs/dbraw/zinc/81/53/33/718815333.db2.gz VJZKCAVCXCRVKI-HJPURHCSSA-N 1 0 493.643 4.923 20 0 JJADRO Fc1cccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c(Cl)nn2)c1 ZINC001164387159 718815768 /nfs/dbraw/zinc/81/57/68/718815768.db2.gz DOVAHMSACCQAJF-QGZVFWFLSA-N 1 0 464.841 4.992 20 0 JJADRO Fc1cccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c(Cl)nn2)c1 ZINC001164387158 718816000 /nfs/dbraw/zinc/81/60/00/718816000.db2.gz DOVAHMSACCQAJF-KRWDZBQOSA-N 1 0 464.841 4.992 20 0 JJADRO Fc1ccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c(Cl)nn2)cc1 ZINC001164389057 718816072 /nfs/dbraw/zinc/81/60/72/718816072.db2.gz SVFFEENJWZSYLZ-QGZVFWFLSA-N 1 0 464.841 4.992 20 0 JJADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4C(=O)c5ccccc5[C@@H]4C3)c21 ZINC001164405590 718847969 /nfs/dbraw/zinc/84/79/69/718847969.db2.gz LVJOSLVHARZBQK-VXKWHMMOSA-N 1 0 499.998 4.813 20 0 JJADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164413266 718881311 /nfs/dbraw/zinc/88/13/11/718881311.db2.gz GAAFHBWOPNLNCA-SFHVURJKSA-N 1 0 479.616 4.819 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@H](c3ncn4c3cccc4Br)C2)nc1 ZINC001164420307 718891118 /nfs/dbraw/zinc/89/11/18/718891118.db2.gz TZAIITGWYOQOIL-ICSRJNTNSA-N 1 0 470.415 4.617 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164614890 719008133 /nfs/dbraw/zinc/00/81/33/719008133.db2.gz GVIKVTWNICXJOZ-HTAPYJJXSA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccsc4)nc4ccccc43)CC2)CC1 ZINC001164618055 719031877 /nfs/dbraw/zinc/03/18/77/719031877.db2.gz ROEISKQOYLPHFS-UHFFFAOYSA-N 1 0 450.608 4.602 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)CC2)CC1 ZINC001164617485 719034513 /nfs/dbraw/zinc/03/45/13/719034513.db2.gz LAQOEEGHPOQDBR-UHFFFAOYSA-N 1 0 451.945 4.719 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)CC2)CC1 ZINC001164618581 719035747 /nfs/dbraw/zinc/03/57/47/719035747.db2.gz UTHNTLXIFGSHKI-UHFFFAOYSA-N 1 0 496.961 4.725 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2c1C ZINC001164621956 719047524 /nfs/dbraw/zinc/04/75/24/719047524.db2.gz KJLJXEGSQWBQNR-CUNXSJBXSA-N 1 0 461.679 4.878 20 0 JJADRO COc1ccccc1-c1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)nn1 ZINC001164628688 719049596 /nfs/dbraw/zinc/04/95/96/719049596.db2.gz YRPPBCHDNBJYLX-YKSBVNFPSA-N 1 0 470.951 4.934 20 0 JJADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164618504 719068506 /nfs/dbraw/zinc/06/85/06/719068506.db2.gz AXKZUKFFYKBCPN-YADHBBJMSA-N 1 0 458.997 4.629 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627365 719094976 /nfs/dbraw/zinc/09/49/76/719094976.db2.gz JYMFQSFXLLOTDE-PMACEKPBSA-N 1 0 455.940 4.838 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)nc1 ZINC001164683548 719594110 /nfs/dbraw/zinc/59/41/10/719594110.db2.gz GIVVUUFFECZESB-QHCPKHFHSA-N 1 0 467.683 4.945 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4cc(Cl)ccc4n3)CC2)c2ccccc21 ZINC001164684204 719659661 /nfs/dbraw/zinc/65/96/61/719659661.db2.gz WLQHIBSNRNXUHE-NRFANRHFSA-N 1 0 477.052 4.982 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3ccc(F)c(Cl)n3)CC2)c2ccccc21 ZINC001164681423 719659758 /nfs/dbraw/zinc/65/97/58/719659758.db2.gz OIKSXXKKAGPKBZ-QGZVFWFLSA-N 1 0 494.989 4.512 20 0 JJADRO Cc1cc2ccccc2nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681789 719662991 /nfs/dbraw/zinc/66/29/91/719662991.db2.gz QXRWQUWQIZUJEC-HSZRJFAPSA-N 1 0 456.634 4.637 20 0 JJADRO CSc1cc(Cl)ncc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685659 719666015 /nfs/dbraw/zinc/66/60/15/719666015.db2.gz VQFVBJJFFICXTB-GOSISDBHSA-N 1 0 473.086 4.550 20 0 JJADRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2ccccc12 ZINC001164684514 719666757 /nfs/dbraw/zinc/66/67/57/719666757.db2.gz UKDKZYSAHAMZBN-QFIPXVFZSA-N 1 0 456.634 4.637 20 0 JJADRO Cc1ccc(C(F)(F)N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1Cl ZINC001164686151 719669851 /nfs/dbraw/zinc/66/98/51/719669851.db2.gz WRURYWDVUJDFMU-IBGZPJMESA-N 1 0 491.026 4.682 20 0 JJADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc31)CC2 ZINC001164684672 719725258 /nfs/dbraw/zinc/72/52/58/719725258.db2.gz JIFMLYCEFDVJJP-UHFFFAOYSA-N 1 0 484.431 4.784 20 0 JJADRO FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695330 719889208 /nfs/dbraw/zinc/88/92/08/719889208.db2.gz OFNZDDCXIFZPGQ-UHFFFAOYSA-N 1 0 470.998 4.823 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697597 719897601 /nfs/dbraw/zinc/89/76/01/719897601.db2.gz LVAYMUXTIGAQST-UHFFFAOYSA-N 1 0 491.995 4.670 20 0 JJADRO CCO[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@H]2CCCO[C@@H]12 ZINC001164715191 720062819 /nfs/dbraw/zinc/06/28/19/720062819.db2.gz RYHLOHCVYRFLSE-JBRSBNLGSA-N 1 0 484.040 4.529 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164815834 720094302 /nfs/dbraw/zinc/09/43/02/720094302.db2.gz ZZOPADVQWHJJQG-NZQKXSOJSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164709648 720097599 /nfs/dbraw/zinc/09/75/99/720097599.db2.gz BVPFMCHGDNEXMD-GOSISDBHSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164710230 720098294 /nfs/dbraw/zinc/09/82/94/720098294.db2.gz HNNFSKSXBJPSML-IBGZPJMESA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164712636 720104880 /nfs/dbraw/zinc/10/48/80/720104880.db2.gz XKTOWSYQDMDWOM-FQEVSTJZSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164808181 720111892 /nfs/dbraw/zinc/11/18/92/720111892.db2.gz DVWDMKSUOGJMHP-QVKFZJNVSA-N 1 0 487.378 4.546 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164712478 720146503 /nfs/dbraw/zinc/14/65/03/720146503.db2.gz MNFFVAJZPFVUGK-RUZDIDTESA-N 1 0 476.596 4.702 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164711106 720147206 /nfs/dbraw/zinc/14/72/06/720147206.db2.gz FJSKZHKATHMJPH-QFIPXVFZSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164710382 720149645 /nfs/dbraw/zinc/14/96/45/720149645.db2.gz AGSLPSUXMNXAFT-DEOSSOPVSA-N 1 0 475.662 4.671 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164713071 720151864 /nfs/dbraw/zinc/15/18/64/720151864.db2.gz QAOPNSFTCPAVKY-DEOSSOPVSA-N 1 0 475.662 4.671 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164711264 720155936 /nfs/dbraw/zinc/15/59/36/720155936.db2.gz ALRKRQUVUYHIPT-SFHVURJKSA-N 1 0 462.425 4.563 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164714089 720156174 /nfs/dbraw/zinc/15/61/74/720156174.db2.gz OLVUMZBBGOAXEO-OAQYLSRUSA-N 1 0 476.999 4.758 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164716064 720157982 /nfs/dbraw/zinc/15/79/82/720157982.db2.gz XJOJQSTVEJKOGI-LJQANCHMSA-N 1 0 476.999 4.671 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164816051 720159707 /nfs/dbraw/zinc/15/97/07/720159707.db2.gz JZIWFJZVXMHPOO-SCLBCKFNSA-N 1 0 454.776 4.771 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(Cc3ccc(Cl)cc3)c(C)n1)C2 ZINC001164818734 720194075 /nfs/dbraw/zinc/19/40/75/720194075.db2.gz ULFOBBGBLMNEJI-ATIYNZHBSA-N 1 0 455.046 4.522 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164815260 720202902 /nfs/dbraw/zinc/20/29/02/720202902.db2.gz YAMYNMIOGDVKJS-HXOBKFHXSA-N 1 0 480.962 4.666 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC1 ZINC001164828285 720313733 /nfs/dbraw/zinc/31/37/33/720313733.db2.gz ZWAWQKNVHWUJGT-NHCUHLMSSA-N 1 0 497.417 4.998 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccccc3)nc3ccc(Cl)cc32)CC1 ZINC001164823866 720325298 /nfs/dbraw/zinc/32/52/98/720325298.db2.gz BMFYCUDTTFQZGG-RPBOFIJWSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001164828675 720337973 /nfs/dbraw/zinc/33/79/73/720337973.db2.gz PFWBIACSXVQQNO-YADHBBJMSA-N 1 0 496.080 4.923 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)s1 ZINC001164829620 720343287 /nfs/dbraw/zinc/34/32/87/720343287.db2.gz SVJHCUQAEVKJOY-GOTSBHOMSA-N 1 0 475.662 4.578 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3ccccc3)nc(-c3cccs3)n2)CC1 ZINC001164831690 720345013 /nfs/dbraw/zinc/34/50/13/720345013.db2.gz ZNSYAXFMPYZWBM-ZEQRLZLVSA-N 1 0 487.673 4.784 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164725617 720359407 /nfs/dbraw/zinc/35/94/07/720359407.db2.gz OKGRWNQHSOGERA-LOSJGSFVSA-N 1 0 455.537 4.693 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164725614 720359850 /nfs/dbraw/zinc/35/98/50/720359850.db2.gz OKGRWNQHSOGERA-JWQCQUIFSA-N 1 0 455.537 4.693 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](OCc3csc(C)n3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164824425 720392841 /nfs/dbraw/zinc/39/28/41/720392841.db2.gz RPCHXRWWYLDCRS-AGDMDRQQSA-N 1 0 456.656 4.737 20 0 JJADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164730960 720441567 /nfs/dbraw/zinc/44/15/67/720441567.db2.gz KLGSXVRMXCUUMW-FGZHOGPDSA-N 1 0 499.640 4.625 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccccc3)nc(Cl)c2-c2ccccc2)C1 ZINC001164726747 720514662 /nfs/dbraw/zinc/51/46/62/720514662.db2.gz DMKZJWYHYWKWLJ-LJQANCHMSA-N 1 0 458.997 4.859 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)C1 ZINC001164729427 720517421 /nfs/dbraw/zinc/51/74/21/720517421.db2.gz NMJIQTWXQYGWPJ-LLVKDONJSA-N 1 0 475.758 4.529 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc32)C1 ZINC001164731340 720518074 /nfs/dbraw/zinc/51/80/74/720518074.db2.gz WOBOLXPWDPCWSN-INIZCTEOSA-N 1 0 467.404 4.998 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4scc(-c5ccccc5)c43)CC[C@@H]21 ZINC001164832466 720523189 /nfs/dbraw/zinc/52/31/89/720523189.db2.gz AVWXHCJLVKRGFB-FUDKSRODSA-N 1 0 458.635 4.933 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c32)C1 ZINC001164733037 720524469 /nfs/dbraw/zinc/52/44/69/720524469.db2.gz IJQYYQDRZDIVNJ-IBGZPJMESA-N 1 0 481.629 4.815 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)C1 ZINC001164733399 720524726 /nfs/dbraw/zinc/52/47/26/720524726.db2.gz JIXGKALJVFDZIZ-GOSISDBHSA-N 1 0 490.702 4.867 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)C1 ZINC001164733228 720534844 /nfs/dbraw/zinc/53/48/44/720534844.db2.gz CJVNVWPBSYYYKD-QGZVFWFLSA-N 1 0 482.966 4.890 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)CC[C@@H]21 ZINC001164842043 720538426 /nfs/dbraw/zinc/53/84/26/720538426.db2.gz WEOHCJJCKQGOSY-SYNHAJSKSA-N 1 0 478.950 4.542 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164733674 720545485 /nfs/dbraw/zinc/54/54/85/720545485.db2.gz FAQRQIDAAPBIJK-CQSZACIVSA-N 1 0 459.368 4.998 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164733209 720546805 /nfs/dbraw/zinc/54/68/05/720546805.db2.gz CCTFRIMVXICXDS-SFHVURJKSA-N 1 0 450.961 4.858 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164734268 720547311 /nfs/dbraw/zinc/54/73/11/720547311.db2.gz HSFOGGZTXHPVNU-SFHVURJKSA-N 1 0 450.961 4.858 20 0 JJADRO COc1ccc(-c2cc(C(F)(F)N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c(Cl)nn2)cc1 ZINC001164733696 720548562 /nfs/dbraw/zinc/54/85/62/720548562.db2.gz PLWMZEPXAAWMAC-QGZVFWFLSA-N 1 0 480.987 4.867 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164733816 720548833 /nfs/dbraw/zinc/54/88/33/720548833.db2.gz SSBLBMQBJSVKSF-OAHLLOKOSA-N 1 0 468.951 4.997 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842183 720583433 /nfs/dbraw/zinc/58/34/33/720583433.db2.gz UIIKYVRKWNMANW-KWXIBIRDSA-N 1 0 487.648 4.758 20 0 JJADRO CSc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncn2)cc1 ZINC001164835177 720584925 /nfs/dbraw/zinc/58/49/25/720584925.db2.gz AHHMWKRCVTUKHZ-TXTKFYIRSA-N 1 0 464.639 4.565 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839258 720605162 /nfs/dbraw/zinc/60/51/62/720605162.db2.gz MYRAXUQKLLAXNR-FGCOXFRFSA-N 1 0 479.028 4.562 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@@H]21 ZINC001164844189 720608765 /nfs/dbraw/zinc/60/87/65/720608765.db2.gz ZTBOZWMEOZJPOM-QTEQDKRBSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@@H]21 ZINC001164839324 720609434 /nfs/dbraw/zinc/60/94/34/720609434.db2.gz NGHZYHZDLHQDOL-ZWOKBUDYSA-N 1 0 493.027 4.978 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC001164842196 720618758 /nfs/dbraw/zinc/61/87/58/720618758.db2.gz UJLLDCAPRFTSLK-JBACZVJFSA-N 1 0 454.981 4.510 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4cccc5ccccc54)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839496 720624007 /nfs/dbraw/zinc/62/40/07/720624007.db2.gz NLOWOPKLOOIBRJ-VMODYCNZSA-N 1 0 452.606 4.871 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836786 720629377 /nfs/dbraw/zinc/62/93/77/720629377.db2.gz GXKVXQZOTXZAPM-GYGTVUFYSA-N 1 0 485.680 4.708 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@@H]21 ZINC001164838318 720629819 /nfs/dbraw/zinc/62/98/19/720629819.db2.gz KTLYANVWOBVAGG-NWSQWKLXSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@@H]21 ZINC001164836598 720630047 /nfs/dbraw/zinc/63/00/47/720630047.db2.gz FXYJXJNDPLRIQR-RRPUWOKSSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3cccc(F)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838283 720643703 /nfs/dbraw/zinc/64/37/03/720643703.db2.gz KOWCUDXEJCALIN-HFSMHLIXSA-N 1 0 470.980 4.636 20 0 JJADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838117 720644622 /nfs/dbraw/zinc/64/46/22/720644622.db2.gz FGNROVZMEYIOBC-HSALFYBXSA-N 1 0 483.016 4.505 20 0 JJADRO COc1ccc2nc(Cl)nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164838176 720657113 /nfs/dbraw/zinc/65/71/13/720657113.db2.gz GBXYVLOQJVFWKP-IBGZPJMESA-N 1 0 452.986 4.552 20 0 JJADRO COc1ccc2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c(Cl)nc2c1 ZINC001164843645 720682823 /nfs/dbraw/zinc/68/28/23/720682823.db2.gz PTJIJZCQMAKUKD-IBGZPJMESA-N 1 0 452.986 4.552 20 0 JJADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840425 720687354 /nfs/dbraw/zinc/68/73/54/720687354.db2.gz DRGKBYONXQWBHH-HXUWFJFHSA-N 1 0 495.023 4.720 20 0 JJADRO COc1ccc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164845416 720696341 /nfs/dbraw/zinc/69/63/41/720696341.db2.gz ZIGBMKOCHLOZIF-GOSISDBHSA-N 1 0 451.945 4.548 20 0 JJADRO CCOC(=O)c1ccc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164840918 720708402 /nfs/dbraw/zinc/70/84/02/720708402.db2.gz SOMVYQIIQQTIKU-IBGZPJMESA-N 1 0 493.982 4.717 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)CC2 ZINC001164837017 720710190 /nfs/dbraw/zinc/71/01/90/720710190.db2.gz CUTPMAJZFKTETH-NRFANRHFSA-N 1 0 499.993 4.997 20 0 JJADRO COc1ccc(Oc2cc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc(C)n2)cc1 ZINC001164838999 720724768 /nfs/dbraw/zinc/72/47/68/720724768.db2.gz KBTPTDPFYGMYOE-HSZRJFAPSA-N 1 0 474.605 4.846 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)CC2 ZINC001164837038 720726526 /nfs/dbraw/zinc/72/65/26/720726526.db2.gz CZUZSFRSLQOFBW-LJQANCHMSA-N 1 0 494.970 4.632 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164843436 720739403 /nfs/dbraw/zinc/73/94/03/720739403.db2.gz JSOCFDPRCMHWKA-UHFFFAOYSA-N 1 0 458.944 4.591 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)nc1 ZINC001164844351 720780160 /nfs/dbraw/zinc/78/01/60/720780160.db2.gz BMTJOBIMMMYBMY-XPGKHFPBSA-N 1 0 450.627 4.757 20 0 JJADRO Clc1ccc(-c2nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1Cl ZINC001164741720 720784571 /nfs/dbraw/zinc/78/45/71/720784571.db2.gz MWPVRWITQKHGKF-MSOLQXFVSA-N 1 0 493.398 4.736 20 0 JJADRO Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)C2=O)c1 ZINC001164852344 720809089 /nfs/dbraw/zinc/80/90/89/720809089.db2.gz NFHGYZCUFBGGOB-RUZDIDTESA-N 1 0 486.994 4.594 20 0 JJADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741484 720820399 /nfs/dbraw/zinc/82/03/99/720820399.db2.gz NVUWWCXQDRCFGQ-UWPQIUOOSA-N 1 0 491.643 4.782 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164745160 720836931 /nfs/dbraw/zinc/83/69/31/720836931.db2.gz MAELMRLXHVLCPK-NLJOTIRTSA-N 1 0 479.632 4.576 20 0 JJADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164752616 720852404 /nfs/dbraw/zinc/85/24/04/720852404.db2.gz SZEDINHPHQHKGD-LSMIHOHGSA-N 1 0 491.643 4.782 20 0 JJADRO Fc1ccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755436 720875005 /nfs/dbraw/zinc/87/50/05/720875005.db2.gz WWUBVFLEBGJWCA-RXFWQSSRSA-N 1 0 482.003 4.572 20 0 JJADRO Fc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164754594 720875551 /nfs/dbraw/zinc/87/55/51/720875551.db2.gz SBTCTMMHSFHSLW-XXBNENTESA-N 1 0 480.962 4.569 20 0 JJADRO Clc1cc(-c2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)ccn1 ZINC001164752471 720879915 /nfs/dbraw/zinc/87/99/15/720879915.db2.gz NBDZKCMYWDOFOY-NAKRPHOHSA-N 1 0 490.051 4.947 20 0 JJADRO Fc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758788 720886181 /nfs/dbraw/zinc/88/61/81/720886181.db2.gz ZMMBKYORSBJLKI-FNZWTVRRSA-N 1 0 482.003 4.572 20 0 JJADRO Cc1cccc2c(Cl)nnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755045 720887372 /nfs/dbraw/zinc/88/73/72/720887372.db2.gz KKMXTKLQPXIJED-CUNXSJBXSA-N 1 0 478.040 4.742 20 0 JJADRO Cc1cccc2c(Cl)nnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755043 720887604 /nfs/dbraw/zinc/88/76/04/720887604.db2.gz KKMXTKLQPXIJED-AMGIVPHBSA-N 1 0 478.040 4.742 20 0 JJADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757206 720890517 /nfs/dbraw/zinc/89/05/17/720890517.db2.gz UIUTWJIVLVYXIM-ZJSXRUAMSA-N 1 0 476.999 4.738 20 0 JJADRO Clc1ncc(-c2ccccc2)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755363 720891035 /nfs/dbraw/zinc/89/10/35/720891035.db2.gz LLCVUVQUEGCZDJ-CUBQBAPOSA-N 1 0 490.051 4.947 20 0 JJADRO Fc1cccc(Oc2cncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164756957 720898705 /nfs/dbraw/zinc/89/87/05/720898705.db2.gz SPJKESGYUFOUDB-LXFBAYGMSA-N 1 0 489.595 4.558 20 0 JJADRO Fc1cc2ncnc(Cl)c2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164757133 720904464 /nfs/dbraw/zinc/90/44/64/720904464.db2.gz SUTSWZFAQRKNCX-IBVKSMDESA-N 1 0 482.003 4.572 20 0 JJADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751528 720905192 /nfs/dbraw/zinc/90/51/92/720905192.db2.gz MRQONGGIIRIPFI-AJTFRIOCSA-N 1 0 495.071 4.816 20 0 JJADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751534 720906350 /nfs/dbraw/zinc/90/63/50/720906350.db2.gz MRQONGGIIRIPFI-AMGIVPHBSA-N 1 0 495.071 4.816 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164754614 720907021 /nfs/dbraw/zinc/90/70/21/720907021.db2.gz WFRYGRXVSFLBGU-LXFBAYGMSA-N 1 0 493.652 4.579 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164754616 720907135 /nfs/dbraw/zinc/90/71/35/720907135.db2.gz WFRYGRXVSFLBGU-QDPGVEIFSA-N 1 0 493.652 4.579 20 0 JJADRO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164746520 720909349 /nfs/dbraw/zinc/90/93/49/720909349.db2.gz BGZAYQOTFREOFB-WNJJXGMVSA-N 1 0 469.633 4.602 20 0 JJADRO CCc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164747879 720920929 /nfs/dbraw/zinc/92/09/29/720920929.db2.gz DPHSJAISICEFML-POURPWNDSA-N 1 0 483.660 4.856 20 0 JJADRO Fc1cccc(F)c1-c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164753760 720921155 /nfs/dbraw/zinc/92/11/55/720921155.db2.gz SMMNCTFIPBUMJA-DWACAAAGSA-N 1 0 491.586 4.572 20 0 JJADRO CSc1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164751322 720933173 /nfs/dbraw/zinc/93/31/73/720933173.db2.gz LIHPBWSWCQRLDF-CUNXSJBXSA-N 1 0 475.662 4.502 20 0 JJADRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1-c1ccccc1F ZINC001164746532 720934595 /nfs/dbraw/zinc/93/45/95/720934595.db2.gz BKKKLGNNJMIMLN-GIGWZHCTSA-N 1 0 487.623 4.741 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C2CC2)n1 ZINC001164747811 720936563 /nfs/dbraw/zinc/93/65/63/720936563.db2.gz DJYMSTFMVZSMLJ-NLFFAJNJSA-N 1 0 488.463 4.811 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)[C@H]2C ZINC001164858614 720939361 /nfs/dbraw/zinc/93/93/61/720939361.db2.gz JPPBDMPQILSPBK-ZDUSSCGKSA-N 1 0 452.912 4.585 20 0 JJADRO Cc1sc2nc(-c3cccnc3)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164864236 721003351 /nfs/dbraw/zinc/00/33/51/721003351.db2.gz ZWSUKQFWDZZJHY-KRWDZBQOSA-N 1 0 461.639 4.988 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)[C@H]2C ZINC001164857993 721009690 /nfs/dbraw/zinc/00/96/90/721009690.db2.gz FAOZISCAFVTUJE-QMHKHESXSA-N 1 0 458.969 4.542 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)[C@H]2C ZINC001164856419 721013830 /nfs/dbraw/zinc/01/38/30/721013830.db2.gz AEGWBZBVJJJZSV-NRFANRHFSA-N 1 0 459.642 4.752 20 0 JJADRO COc1ccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001164864888 721020831 /nfs/dbraw/zinc/02/08/31/721020831.db2.gz ZXSSCGJKQUOZGA-MRXNPFEDSA-N 1 0 456.978 4.549 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c(Cl)nn2)c1 ZINC001164859463 721022080 /nfs/dbraw/zinc/02/20/80/721022080.db2.gz IENNGVWADNLBLV-MRXNPFEDSA-N 1 0 490.986 4.968 20 0 JJADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760556 721047274 /nfs/dbraw/zinc/04/72/74/721047274.db2.gz WBSXIUKBTWBJOW-LJQANCHMSA-N 1 0 457.018 4.598 20 0 JJADRO CCn1nnc2c1CCN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)[C@H]2COCc1ccccc1 ZINC001164772937 721049093 /nfs/dbraw/zinc/04/90/93/721049093.db2.gz QUOYJLBNYAVXBS-NOZRDPDXSA-N 1 0 460.626 4.561 20 0 JJADRO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867810 721068018 /nfs/dbraw/zinc/06/80/18/721068018.db2.gz KMSQFDLJAJNMLR-FTJBHMTQSA-N 1 0 463.585 4.685 20 0 JJADRO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867376 721068818 /nfs/dbraw/zinc/06/88/18/721068818.db2.gz IQYCDBUJCZCRPZ-LEWJYISDSA-N 1 0 489.982 4.964 20 0 JJADRO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864424 721103111 /nfs/dbraw/zinc/10/31/11/721103111.db2.gz FVFHNASMSNZBOB-XZOQPEGZSA-N 1 0 489.982 4.964 20 0 JJADRO c1ccc(COc2ccc3nc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)ccc3c2)cc1 ZINC001164864409 721105017 /nfs/dbraw/zinc/10/50/17/721105017.db2.gz FTTSIZMKHLEGLJ-VPUSJEBWSA-N 1 0 466.585 4.689 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164770598 721115547 /nfs/dbraw/zinc/11/55/47/721115547.db2.gz RELBOINYQSDZQA-HZPDHXFCSA-N 1 0 466.363 4.778 20 0 JJADRO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867235 721119726 /nfs/dbraw/zinc/11/97/26/721119726.db2.gz XEMDSIKANXKKJX-WOJBJXKFSA-N 1 0 478.021 4.886 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164772760 721121723 /nfs/dbraw/zinc/12/17/23/721121723.db2.gz WKWZUMQPBILBBD-LOSJGSFVSA-N 1 0 450.590 4.502 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c3ccccc32)cc1C ZINC001164878895 721142045 /nfs/dbraw/zinc/14/20/45/721142045.db2.gz QTYGHDNZUXZVBZ-LOSJGSFVSA-N 1 0 465.601 4.788 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164874475 721144162 /nfs/dbraw/zinc/14/41/62/721144162.db2.gz KBYKZAPHSNBSKZ-WOJBJXKFSA-N 1 0 477.659 4.911 20 0 JJADRO c1csc(-c2nc3sc4c(c3c(N3CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C3)n2)CCC4)c1 ZINC001164872673 721145073 /nfs/dbraw/zinc/14/50/73/721145073.db2.gz IBYMHIVHNSPSIN-RBUKOAKNSA-N 1 0 489.670 4.783 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164873619 721161019 /nfs/dbraw/zinc/16/10/19/721161019.db2.gz JHKRMRLWRATGSI-DHIUTWEWSA-N 1 0 469.614 4.747 20 0 JJADRO c1ccc(Oc2ccc(-c3ccc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164881086 721171259 /nfs/dbraw/zinc/17/12/59/721171259.db2.gz ZAAVGBHCQKQJOO-IGKIAQTJSA-N 1 0 479.584 4.811 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@H]3C2)cn1 ZINC001164764225 721215667 /nfs/dbraw/zinc/21/56/67/721215667.db2.gz GPBDANDZMMXRAY-FCHUYYIVSA-N 1 0 456.619 4.564 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164765105 721218953 /nfs/dbraw/zinc/21/89/53/721218953.db2.gz HUHYXMAIBFBGPX-ICSRJNTNSA-N 1 0 490.702 4.990 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@@H]3C2)cn1 ZINC001164764905 721225051 /nfs/dbraw/zinc/22/50/51/721225051.db2.gz HCELJHFAKCEHGK-MSOLQXFVSA-N 1 0 475.946 4.778 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164766848 721227415 /nfs/dbraw/zinc/22/74/15/721227415.db2.gz VPEPKSNDDSIHHL-CLJLJLNGSA-N 1 0 456.638 4.883 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164763893 721247075 /nfs/dbraw/zinc/24/70/75/721247075.db2.gz NVXPTJVMCCTMTO-WOJBJXKFSA-N 1 0 487.982 4.647 20 0 JJADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)c2ccccc21 ZINC001164772505 721291900 /nfs/dbraw/zinc/29/19/00/721291900.db2.gz ICMDHCSGXCNASI-UHFFFAOYSA-N 1 0 457.956 4.756 20 0 JJADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164770750 721293205 /nfs/dbraw/zinc/29/32/05/721293205.db2.gz VMOOBRBEHGHGFM-UHFFFAOYSA-N 1 0 497.373 4.607 20 0 JJADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001164771115 721295588 /nfs/dbraw/zinc/29/55/88/721295588.db2.gz XSIQMXUPGMOGAT-UHFFFAOYSA-N 1 0 461.940 4.656 20 0 JJADRO Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)CCO3)c1 ZINC001164775121 721305673 /nfs/dbraw/zinc/30/56/73/721305673.db2.gz QDKFNNSQQZWJEX-VWLOTQADSA-N 1 0 489.010 4.841 20 0 JJADRO Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)CC3)cc1 ZINC001164777530 721315877 /nfs/dbraw/zinc/31/58/77/721315877.db2.gz KVMFFEVQVKFYCB-UHFFFAOYSA-N 1 0 485.941 4.858 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@H](COCc3csc(C)n3)C2)nc1 ZINC001164876311 721332662 /nfs/dbraw/zinc/33/26/62/721332662.db2.gz NYGKOXSREBHISU-BWKNWUBXSA-N 1 0 480.682 4.833 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(F)cc4ccc(Cl)nc43)C2)C1 ZINC001164779775 721350679 /nfs/dbraw/zinc/35/06/79/721350679.db2.gz WJRMOPMZJZTHFJ-DEOSSOPVSA-N 1 0 458.965 4.751 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(-c4cccc(Cl)n4)n3)C2)C1 ZINC001164776247 721350705 /nfs/dbraw/zinc/35/07/05/721350705.db2.gz AMEVLDODPGXLJC-VWLOTQADSA-N 1 0 468.001 4.521 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3-c3ccccc3)C2)C1 ZINC001164779764 721351538 /nfs/dbraw/zinc/35/15/38/721351538.db2.gz VXOAPIWJOCVWIH-VWLOTQADSA-N 1 0 468.001 4.521 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4ccc(C)cc43)C2)C1 ZINC001164780755 721359481 /nfs/dbraw/zinc/35/94/81/721359481.db2.gz HCCGEVWGPZALAU-RUZDIDTESA-N 1 0 455.002 4.920 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4cccc(Cl)c4n3)C2)C1 ZINC001164780816 721360088 /nfs/dbraw/zinc/36/00/88/721360088.db2.gz HVELKTFEQXDDEF-VWLOTQADSA-N 1 0 455.002 4.920 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)nc1 ZINC001164783174 721386616 /nfs/dbraw/zinc/38/66/16/721386616.db2.gz NVEHIBIMWUZSPI-SLQPCKNISA-N 1 0 450.627 4.616 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)C3)O2)CC1 ZINC001164899167 721432446 /nfs/dbraw/zinc/43/24/46/721432446.db2.gz YAAZWXULUYYXPW-OUTSHDOLSA-N 1 0 456.634 4.667 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1C ZINC001164898665 721434720 /nfs/dbraw/zinc/43/47/20/721434720.db2.gz WINMSNYVUOKIIF-IBVKSMDESA-N 1 0 497.734 4.802 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(F)ccc31)CC2 ZINC001164787630 721448252 /nfs/dbraw/zinc/44/82/52/721448252.db2.gz OWTRIKXPAXWKKH-NRFANRHFSA-N 1 0 462.009 4.761 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164784518 721450091 /nfs/dbraw/zinc/45/00/91/721450091.db2.gz FWSGOBOHRBOFEO-IBGZPJMESA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164786589 721450759 /nfs/dbraw/zinc/45/07/59/721450759.db2.gz NBJVKADWEUKLEN-GOSISDBHSA-N 1 0 478.411 4.667 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164785960 721451331 /nfs/dbraw/zinc/45/13/31/721451331.db2.gz KJSPFEOMTTVHBO-IBGZPJMESA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164789409 721454140 /nfs/dbraw/zinc/45/41/40/721454140.db2.gz VNTVMTQKOJZELY-HXUWFJFHSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164790563 721455185 /nfs/dbraw/zinc/45/51/85/721455185.db2.gz ZICCTEWEIQTDBG-OAQYLSRUSA-N 1 0 462.009 4.761 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3sccc31)CC2 ZINC001164784258 721456099 /nfs/dbraw/zinc/45/60/99/721456099.db2.gz DRNHANYNFTZGLO-GOSISDBHSA-N 1 0 450.048 4.684 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164790149 721457395 /nfs/dbraw/zinc/45/73/95/721457395.db2.gz XBFPOPKSTPCBFH-FQEVSTJZSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164790154 721457413 /nfs/dbraw/zinc/45/74/13/721457413.db2.gz XBFPOPKSTPCBFH-HXUWFJFHSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164783719 721457926 /nfs/dbraw/zinc/45/79/26/721457926.db2.gz GCMZOBIJKIVBGJ-GOSISDBHSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164782842 721463160 /nfs/dbraw/zinc/46/31/60/721463160.db2.gz CYSDVLAIHCFHLA-OAQYLSRUSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Oc3ccc(SC)cc3)ncn1)CC2 ZINC001164789267 721464279 /nfs/dbraw/zinc/46/42/79/721464279.db2.gz WDJQFNDKLKNPNF-QFIPXVFZSA-N 1 0 498.693 4.725 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164791743 721468322 /nfs/dbraw/zinc/46/83/22/721468322.db2.gz YIGQTVPMIPORLP-JOCHJYFZSA-N 1 0 489.035 4.670 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3cc(Cl)ncc3cc1OC)CC2 ZINC001164791175 721474478 /nfs/dbraw/zinc/47/44/78/721474478.db2.gz UYMGWSFMWOBSHU-JOCHJYFZSA-N 1 0 474.045 4.631 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](NC(=O)NC)c4cc(C)ccc43)CC2)nc1 ZINC001164900940 721493040 /nfs/dbraw/zinc/49/30/40/721493040.db2.gz SPWSRZSYPKUZSK-LOSJGSFVSA-N 1 0 461.654 4.849 20 0 JJADRO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(Cl)n1 ZINC001164796937 721499568 /nfs/dbraw/zinc/49/95/68/721499568.db2.gz ZQNBRXSLIPRDKT-UHFFFAOYSA-N 1 0 478.971 4.733 20 0 JJADRO COc1ccc(Cc2c(C)nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2C)cc1 ZINC001164794669 721503246 /nfs/dbraw/zinc/50/32/46/721503246.db2.gz CBIPXGZFKCMARN-UHFFFAOYSA-N 1 0 471.649 4.969 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164796218 721507808 /nfs/dbraw/zinc/50/78/08/721507808.db2.gz PTZSAWRATQXUDG-WZONZLPQSA-N 1 0 460.956 4.737 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)cc1 ZINC001164808359 721541612 /nfs/dbraw/zinc/54/16/12/721541612.db2.gz RPVSARCKAMMSMQ-PVHODMMVSA-N 1 0 499.590 4.708 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3cnn(CC4CCOCC4)c3[C@@H]2COCC)nc1 ZINC001164902191 721578827 /nfs/dbraw/zinc/57/88/27/721578827.db2.gz CHIVIIRJFHJNFE-FTJBHMTQSA-N 1 0 481.685 4.782 20 0 JJADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908493 721692993 /nfs/dbraw/zinc/69/29/93/721692993.db2.gz ZLQQFYBICZJDCY-OAQYLSRUSA-N 1 0 479.909 4.961 20 0 JJADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907474 721700701 /nfs/dbraw/zinc/70/07/01/721700701.db2.gz UCHREAVVDKGPPO-OAQYLSRUSA-N 1 0 479.909 4.961 20 0 JJADRO CCOC(=O)c1cc2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906774 721713852 /nfs/dbraw/zinc/71/38/52/721713852.db2.gz OAHMKWOWKQTIIM-VWLOTQADSA-N 1 0 466.532 4.544 20 0 JJADRO FC1(F)CCN(c2nc(-c3cccnc3)nc3ccccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906895 721723574 /nfs/dbraw/zinc/72/35/74/721723574.db2.gz OXBPFEAFURELRL-AREMUKBSSA-N 1 0 472.543 4.825 20 0 JJADRO FC1(F)CCN(c2ncnc3c(-c4ccccc4)nsc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912909 721725093 /nfs/dbraw/zinc/72/50/93/721725093.db2.gz QZOHBHKIRITOGM-XMMPIXPASA-N 1 0 478.572 4.886 20 0 JJADRO FC1(F)CCN(c2ncnc3c(-c4ccccc4)nsc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912906 721726089 /nfs/dbraw/zinc/72/60/89/721726089.db2.gz QZOHBHKIRITOGM-DEOSSOPVSA-N 1 0 478.572 4.886 20 0 JJADRO COc1ccc(Oc2cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc(C)n2)cc1 ZINC001164913384 721732826 /nfs/dbraw/zinc/73/28/26/721732826.db2.gz UWTQYULBHYYTLC-VWLOTQADSA-N 1 0 481.547 4.719 20 0 JJADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015572 721766507 /nfs/dbraw/zinc/76/65/07/721766507.db2.gz RSRAYHKUBLUDLQ-UHFFFAOYSA-N 1 0 470.911 4.787 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164914718 721803406 /nfs/dbraw/zinc/80/34/06/721803406.db2.gz FALIAIAXUYYIEJ-XUZZJYLKSA-N 1 0 456.585 4.551 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@H]21 ZINC001165018817 721805319 /nfs/dbraw/zinc/80/53/19/721805319.db2.gz CKBXYFVIUIHVAN-DKZVUGQWSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@H]21 ZINC001165022581 721814313 /nfs/dbraw/zinc/81/43/13/721814313.db2.gz FZCFNUBTIOAEFG-RMUDUWAUSA-N 1 0 470.596 4.751 20 0 JJADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165026297 721821890 /nfs/dbraw/zinc/82/18/90/721821890.db2.gz OQJYEBNRMIHPMZ-YRISNDGFSA-N 1 0 478.971 4.589 20 0 JJADRO COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2C)cc1 ZINC001165030534 721822099 /nfs/dbraw/zinc/82/20/99/721822099.db2.gz ZRNMBAMAHNARFF-HUROMRQRSA-N 1 0 470.617 4.976 20 0 JJADRO COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2C)cc1 ZINC001165030536 721822193 /nfs/dbraw/zinc/82/21/93/721822193.db2.gz ZRNMBAMAHNARFF-MSLLRLGPSA-N 1 0 470.617 4.976 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)C[C@H]21 ZINC001165023994 721823534 /nfs/dbraw/zinc/82/35/34/721823534.db2.gz JGAJPOCHWSYAHH-BBVWWWHTSA-N 1 0 450.590 4.824 20 0 JJADRO Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)o2)cc1 ZINC001165023178 721824956 /nfs/dbraw/zinc/82/49/56/721824956.db2.gz IGRTVSWSVYDKLS-ACIOBRDBSA-N 1 0 454.578 4.725 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)C[C@H]21 ZINC001165019835 721825977 /nfs/dbraw/zinc/82/59/77/721825977.db2.gz CGDJNRRBXWUJSK-SKBVVQJISA-N 1 0 456.590 4.571 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@@H]21 ZINC001165030136 721827394 /nfs/dbraw/zinc/82/73/94/721827394.db2.gz XXIUMJTWFAROEX-ILWGZMRPSA-N 1 0 472.618 4.992 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)nc4sccc43)C[C@@H]21 ZINC001165027080 721828732 /nfs/dbraw/zinc/82/87/32/721828732.db2.gz RUGCMWYNVGFDJB-AJSBUHFISA-N 1 0 456.619 4.885 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)nc4sccc43)C[C@@H]21 ZINC001165027082 721829001 /nfs/dbraw/zinc/82/90/01/721829001.db2.gz RUGCMWYNVGFDJB-WTIAFYNJSA-N 1 0 456.619 4.885 20 0 JJADRO COc1ccc(Cc2c(C)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2C)cc1 ZINC001165022329 721829577 /nfs/dbraw/zinc/82/95/77/721829577.db2.gz GXMRIUJCSRHGFF-LBNPDIFZSA-N 1 0 471.649 4.825 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1Cl ZINC001165022115 721839262 /nfs/dbraw/zinc/83/92/62/721839262.db2.gz PDBIBISNMNKVFJ-UHFFFAOYSA-N 1 0 482.408 4.683 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cccc(-c3cccc(Cl)n3)n2)CC1 ZINC001165021992 721841127 /nfs/dbraw/zinc/84/11/27/721841127.db2.gz LMFZIELIUUVNQO-UHFFFAOYSA-N 1 0 452.986 4.915 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(Oc3cccc(F)c3)n2)CC1 ZINC001165020236 721842561 /nfs/dbraw/zinc/84/25/61/721842561.db2.gz AKNPPGCFICWANG-UHFFFAOYSA-N 1 0 452.530 4.526 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2c(Cl)nc(Cl)nc2C2CC2)CC1 ZINC001165029737 721845263 /nfs/dbraw/zinc/84/52/63/721845263.db2.gz AVMGQNQERLGPNY-UHFFFAOYSA-N 1 0 451.398 4.779 20 0 JJADRO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1-c1ccccc1 ZINC001164934670 721880019 /nfs/dbraw/zinc/88/00/19/721880019.db2.gz SVZOLCMGDNUVAD-XZOQPEGZSA-N 1 0 484.673 4.943 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)CC3)C2)cc1 ZINC001164938646 721932722 /nfs/dbraw/zinc/93/27/22/721932722.db2.gz CISSMGBMLGVMRU-UHFFFAOYSA-N 1 0 489.954 4.510 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccnc(CSc5ccccc5)n4)CC3)C2)cc1 ZINC001164942325 721933285 /nfs/dbraw/zinc/93/32/85/721933285.db2.gz LLRSDQDLRQELQR-UHFFFAOYSA-N 1 0 460.647 4.949 20 0 JJADRO Fc1ccccc1-c1nc2ccn(Cc3ccc(N4CCCC[C@H]4CC[NH+]4CCCC4)nn3)cc-2n1 ZINC001165045965 721966368 /nfs/dbraw/zinc/96/63/68/721966368.db2.gz FHYKQALRFHHRND-QFIPXVFZSA-N 1 0 485.611 4.872 20 0 JJADRO COC(=O)CCN(Cc1ccco1)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001165049154 721982612 /nfs/dbraw/zinc/98/26/12/721982612.db2.gz HGQOPICOYXHIBT-UHFFFAOYSA-N 1 0 496.007 4.919 20 0 JJADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955879 722022278 /nfs/dbraw/zinc/02/22/78/722022278.db2.gz QOGYEVRQSPEQID-UHFFFAOYSA-N 1 0 459.928 4.822 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955836 722022815 /nfs/dbraw/zinc/02/28/15/722022815.db2.gz OONXPFQTAPALCA-UHFFFAOYSA-N 1 0 470.955 4.624 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)nc1 ZINC001164963725 722038697 /nfs/dbraw/zinc/03/86/97/722038697.db2.gz RRFOFNGJYTVEOV-NAOVZJOWSA-N 1 0 466.695 4.901 20 0 JJADRO Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)CC2=O)s1 ZINC001164964990 722044804 /nfs/dbraw/zinc/04/48/04/722044804.db2.gz WWBBSGKOCDKJJO-JOCHJYFZSA-N 1 0 478.996 4.660 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)c2c1C ZINC001164958815 722051145 /nfs/dbraw/zinc/05/11/45/722051145.db2.gz GWONTMDLHPHMOK-BKSPAHHJSA-N 1 0 492.693 4.594 20 0 JJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963792 722055298 /nfs/dbraw/zinc/05/52/98/722055298.db2.gz KZZMXKSOJJCORO-UHFFFAOYSA-N 1 0 472.967 4.947 20 0 JJADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963278 722059317 /nfs/dbraw/zinc/05/93/17/722059317.db2.gz VHBXEIOLXBKSDS-UHFFFAOYSA-N 1 0 495.023 4.579 20 0 JJADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963335 722060501 /nfs/dbraw/zinc/06/05/01/722060501.db2.gz WVGVXOJQTWAUJZ-UHFFFAOYSA-N 1 0 464.013 4.619 20 0 JJADRO c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164967219 722075195 /nfs/dbraw/zinc/07/51/95/722075195.db2.gz OFNMIHRPEJBKFY-ZRZAMGCNSA-N 1 0 489.689 4.644 20 0 JJADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984712 722106697 /nfs/dbraw/zinc/10/66/97/722106697.db2.gz UDGMJYSBFYJBHA-OXQOHEQNSA-N 1 0 494.373 4.604 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1Cl ZINC001164979208 722108192 /nfs/dbraw/zinc/10/81/92/722108192.db2.gz PNNUDXAVSNBRKQ-ZIAGYGMSSA-N 1 0 462.208 4.818 20 0 JJADRO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971371 722108298 /nfs/dbraw/zinc/10/82/98/722108298.db2.gz BMKOARPYFJUVBA-LITSAYRRSA-N 1 0 477.612 4.933 20 0 JJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977435 722111540 /nfs/dbraw/zinc/11/15/40/722111540.db2.gz NBOCDJWJWYICLB-SIKLNZKXSA-N 1 0 458.940 4.555 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164979131 722111623 /nfs/dbraw/zinc/11/16/23/722111623.db2.gz PDNFUZFKYFRJMQ-UPVQGACJSA-N 1 0 471.630 4.789 20 0 JJADRO c1ccc(-c2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975712 722114597 /nfs/dbraw/zinc/11/45/97/722114597.db2.gz KLRYTBCMXMJADN-KAYWLYCHSA-N 1 0 477.612 4.933 20 0 JJADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981481 722122253 /nfs/dbraw/zinc/12/22/53/722122253.db2.gz UFNUOLKORDNEOJ-OXJNMPFZSA-N 1 0 494.373 4.604 20 0 JJADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976330 722123615 /nfs/dbraw/zinc/12/36/15/722123615.db2.gz LEVIVFSOEHRJBM-QFBILLFUSA-N 1 0 494.373 4.604 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164972608 722138631 /nfs/dbraw/zinc/13/86/31/722138631.db2.gz AEOWXQCTLXMBBC-SQHAQQRYSA-N 1 0 465.601 4.728 20 0 JJADRO Fc1ccc(-c2nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164982798 722141964 /nfs/dbraw/zinc/14/19/64/722141964.db2.gz SRWHFFAWBRVICC-NVQXNPDNSA-N 1 0 469.564 4.558 20 0 JJADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164980921 722148733 /nfs/dbraw/zinc/14/87/33/722148733.db2.gz NTQXWRVMVLDZLT-ZJSXRUAMSA-N 1 0 464.013 4.536 20 0 JJADRO Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1Cl ZINC001164972156 722152969 /nfs/dbraw/zinc/15/29/69/722152969.db2.gz GAPOIMGERAVSBL-WIYYLYMNSA-N 1 0 488.394 4.712 20 0 JJADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973005 722155235 /nfs/dbraw/zinc/15/52/35/722155235.db2.gz JRXNCSQAYWFLEC-XUZZJYLKSA-N 1 0 480.012 4.607 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164972469 722158138 /nfs/dbraw/zinc/15/81/38/722158138.db2.gz HXNYTNOBIHAFRX-ZJSXRUAMSA-N 1 0 499.993 4.773 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164977385 722166743 /nfs/dbraw/zinc/16/67/43/722166743.db2.gz MXGNWOALXVIAJE-ZJSXRUAMSA-N 1 0 482.015 4.991 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccccc3F)nc3ccc(Cl)cc31)CCC2 ZINC001164999552 722252110 /nfs/dbraw/zinc/25/21/10/722252110.db2.gz BLPUYQLNDIRFFF-UHFFFAOYSA-N 1 0 495.002 4.774 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccccc3)nc3cc(Cl)ccc31)CCC2 ZINC001165001634 722254397 /nfs/dbraw/zinc/25/43/97/722254397.db2.gz DRJOFSKRWOYUQI-UHFFFAOYSA-N 1 0 477.012 4.635 20 0 JJADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850851 1064261758 /nfs/dbraw/zinc/26/17/58/1064261758.db2.gz SAXUWBMZFTZMMJ-BWKNWUBXSA-N 1 0 450.966 4.745 20 0 JJADRO CC(C)c1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359715738 1064264255 /nfs/dbraw/zinc/26/42/55/1064264255.db2.gz KLIAJKCTTYGZFW-AUSIDOKSSA-N 1 0 474.644 4.683 20 0 JJADRO CC(C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359716545 1064265171 /nfs/dbraw/zinc/26/51/71/1064265171.db2.gz KXLXRWRWAMYQCF-UHFFFAOYSA-N 1 0 478.607 4.869 20 0 JJADRO CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001359719049 1064266295 /nfs/dbraw/zinc/26/62/95/1064266295.db2.gz AHZGEWYXUZVJND-HXUWFJFHSA-N 1 0 478.607 4.509 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001545858969 1064266930 /nfs/dbraw/zinc/26/69/30/1064266930.db2.gz AOYXYGFQSYYJKV-FQKWEETJSA-N 1 0 472.722 4.866 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001545858951 1064267126 /nfs/dbraw/zinc/26/71/26/1064267126.db2.gz AGGMZEKPZZTYSX-NRFANRHFSA-N 1 0 492.712 4.826 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001359719894 1064267416 /nfs/dbraw/zinc/26/74/16/1064267416.db2.gz BBNUDQYZUAOBLB-OAQYLSRUSA-N 1 0 456.654 4.625 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001545859531 1064268105 /nfs/dbraw/zinc/26/81/05/1064268105.db2.gz OLKRMDMNRZLMLU-OEMFJLHTSA-N 1 0 466.674 4.658 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001545862203 1064270226 /nfs/dbraw/zinc/27/02/26/1064270226.db2.gz CHFNKTSIZYNAML-LEWJYISDSA-N 1 0 460.711 4.581 20 0 JJADRO CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359723219 1064270240 /nfs/dbraw/zinc/27/02/40/1064270240.db2.gz MQFCWRPZFAWWJL-FPOVZHCZSA-N 1 0 461.969 4.668 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001545862699 1064270688 /nfs/dbraw/zinc/27/06/88/1064270688.db2.gz QEUMGRROFHSNFJ-FPOVZHCZSA-N 1 0 472.703 4.577 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545862860 1064271479 /nfs/dbraw/zinc/27/14/79/1064271479.db2.gz VLXBRBNHEOQMQR-NJYVYQBISA-N 1 0 474.738 4.825 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545865406 1064272894 /nfs/dbraw/zinc/27/28/94/1064272894.db2.gz AKQJEYSWOBMCOV-CUBQBAPOSA-N 1 0 480.701 4.660 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001545865317 1064272933 /nfs/dbraw/zinc/27/29/33/1064272933.db2.gz XEJHRQIZSIMXCZ-JOCHJYFZSA-N 1 0 450.627 4.645 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545865407 1064273256 /nfs/dbraw/zinc/27/32/56/1064273256.db2.gz AKQJEYSWOBMCOV-RBJSKKJNSA-N 1 0 480.701 4.660 20 0 JJADRO CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001359726959 1064273589 /nfs/dbraw/zinc/27/35/89/1064273589.db2.gz BNNCSXMQNOOYAE-SBHAEUEKSA-N 1 0 488.702 4.650 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545865530 1064273697 /nfs/dbraw/zinc/27/36/97/1064273697.db2.gz DXIJUQPQWZUJFS-JOCHJYFZSA-N 1 0 458.695 4.620 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545865947 1064274891 /nfs/dbraw/zinc/27/48/91/1064274891.db2.gz QFSNEHVKDOSIJR-VWLOTQADSA-N 1 0 478.685 4.580 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870218 1064282613 /nfs/dbraw/zinc/28/26/13/1064282613.db2.gz IXHYMZVWAOIYJJ-HBMCJLEFSA-N 1 0 484.689 4.540 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001545870299 1064283333 /nfs/dbraw/zinc/28/33/33/1064283333.db2.gz KYGACAFBBVNXNL-ILBGXUMGSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001545870301 1064283381 /nfs/dbraw/zinc/28/33/81/1064283381.db2.gz KYGACAFBBVNXNL-UKILVPOCSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001545870696 1064285201 /nfs/dbraw/zinc/28/52/01/1064285201.db2.gz TZRZHBQUJDHYKB-DHIUTWEWSA-N 1 0 480.701 4.763 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001545870840 1064285828 /nfs/dbraw/zinc/28/58/28/1064285828.db2.gz XZBJFWYZGSOQRA-URXFXBBRSA-N 1 0 484.664 4.594 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001545870842 1064285948 /nfs/dbraw/zinc/28/59/48/1064285948.db2.gz XZBJFWYZGSOQRA-ZJSXRUAMSA-N 1 0 484.664 4.594 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545870855 1064286586 /nfs/dbraw/zinc/28/65/86/1064286586.db2.gz YDWRMYHGTNTHIE-AKFKNWHVSA-N 1 0 494.728 4.867 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001545874148 1064289848 /nfs/dbraw/zinc/28/98/48/1064289848.db2.gz JUFYASUJXRVGMI-LADGPHEKSA-N 1 0 494.728 4.776 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2ccccc2Br)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359734022 1064292474 /nfs/dbraw/zinc/29/24/74/1064292474.db2.gz LBXIGQTXOAJAGV-SIKLNZKXSA-N 1 0 478.504 4.770 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCCC1 ZINC001359734581 1064294447 /nfs/dbraw/zinc/29/44/47/1064294447.db2.gz XKEWARNHLHDBMK-LJQANCHMSA-N 1 0 450.400 4.567 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@H]1SCCc2ccccc21 ZINC001545878785 1064294790 /nfs/dbraw/zinc/29/47/90/1064294790.db2.gz ASXIVBQXDWHEJC-XMMPIXPASA-N 1 0 498.741 4.538 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545879703 1064294866 /nfs/dbraw/zinc/29/48/66/1064294866.db2.gz DKBXDXYQIBGGKN-UNMCSNQZSA-N 1 0 451.394 4.636 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC001545880140 1064295468 /nfs/dbraw/zinc/29/54/68/1064295468.db2.gz RGYPCRYWPDMKMK-AZUAARDMSA-N 1 0 452.624 4.576 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@H+](C)C(C)C ZINC001359737621 1064299582 /nfs/dbraw/zinc/29/95/82/1064299582.db2.gz BVWWERPXDNXPLJ-RTWAWAEBSA-N 1 0 462.683 4.705 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001545884962 1064301810 /nfs/dbraw/zinc/30/18/10/1064301810.db2.gz JJIOCCRQPLJKQE-DEOSSOPVSA-N 1 0 480.701 4.968 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001359738832 1064303508 /nfs/dbraw/zinc/30/35/08/1064303508.db2.gz DZILBSOSWLOSJJ-RTBURBONSA-N 1 0 477.495 4.793 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001545886626 1064303736 /nfs/dbraw/zinc/30/37/36/1064303736.db2.gz GYWDZZGPWAAHHU-MOPGFXCFSA-N 1 0 487.092 4.533 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001359739549 1064307964 /nfs/dbraw/zinc/30/79/64/1064307964.db2.gz XAUHNKKZELQGAO-MSOLQXFVSA-N 1 0 463.468 4.783 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001359742656 1064311957 /nfs/dbraw/zinc/31/19/57/1064311957.db2.gz SHJDDTZPNMEITR-JOCHJYFZSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCCCC2)C1 ZINC001359743026 1064312760 /nfs/dbraw/zinc/31/27/60/1064312760.db2.gz ZKWVJEOUABEHOG-HSZRJFAPSA-N 1 0 488.721 4.751 20 0 JJADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001434880360 1064312845 /nfs/dbraw/zinc/31/28/45/1064312845.db2.gz CBBSMMPXFUXMRL-KNQAVFIVSA-N 1 0 451.014 4.945 20 0 JJADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880334 1064312928 /nfs/dbraw/zinc/31/29/28/1064312928.db2.gz BBGZRJBPBFTGBJ-IBIODZIOSA-N 1 0 455.643 4.658 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001359744307 1064315665 /nfs/dbraw/zinc/31/56/65/1064315665.db2.gz DLKIMQXSNBXHPK-ROUUACIJSA-N 1 0 476.463 4.585 20 0 JJADRO CC(C)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001359744787 1064317197 /nfs/dbraw/zinc/31/71/97/1064317197.db2.gz SBHCVUJOUJLPII-QHCPKHFHSA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCC[NH+]2CCCC2)CCS1 ZINC001359749665 1064337919 /nfs/dbraw/zinc/33/79/19/1064337919.db2.gz WEUWDJKCAHXYPE-FQEVSTJZSA-N 1 0 478.504 4.771 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001359751839 1064340790 /nfs/dbraw/zinc/34/07/90/1064340790.db2.gz KKGWQESCGBMOAA-DEOSSOPVSA-N 1 0 453.675 4.640 20 0 JJADRO CC(C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001359752797 1064341620 /nfs/dbraw/zinc/34/16/20/1064341620.db2.gz XZVDROWBDXLXRU-PKTZIBPZSA-N 1 0 477.669 4.845 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC(C)(C)C[NH+]2CCCC2)CCS1 ZINC001359753310 1064342231 /nfs/dbraw/zinc/34/22/31/1064342231.db2.gz HEESJODHNDVHIT-QFIPXVFZSA-N 1 0 459.679 4.708 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001359753913 1064343569 /nfs/dbraw/zinc/34/35/69/1064343569.db2.gz UOALOUVYHXIFLB-QPPBQGQZSA-N 1 0 457.638 4.524 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](c2ccco2)[NH+](C)C)CCS1 ZINC001359754370 1064344965 /nfs/dbraw/zinc/34/49/65/1064344965.db2.gz DITHTRCQWCPXIH-GGAORHGYSA-N 1 0 453.656 4.537 20 0 JJADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(O[C@@H](C)C(F)(F)F)nc1C ZINC001434919173 1064346456 /nfs/dbraw/zinc/34/64/56/1064346456.db2.gz MFNSYSZTJOJQBL-INIZCTEOSA-N 1 0 453.530 4.829 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+](C)C2CCCCC2)CCS1 ZINC001359755446 1064348639 /nfs/dbraw/zinc/34/86/39/1064348639.db2.gz AGXOMINFHYQKRR-QHCPKHFHSA-N 1 0 475.678 4.839 20 0 JJADRO CCCCCC(=O)NC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001434924362 1064352815 /nfs/dbraw/zinc/35/28/15/1064352815.db2.gz KJLLCWQWXYDOEN-IZZNHLLZSA-N 1 0 453.671 4.612 20 0 JJADRO C[NH+](C)CCN(C(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)c1ccccc1 ZINC001434925467 1064353532 /nfs/dbraw/zinc/35/35/32/1064353532.db2.gz VLSNCUNIVLNQFO-QFIPXVFZSA-N 1 0 451.611 4.840 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001359756793 1064355559 /nfs/dbraw/zinc/35/55/59/1064355559.db2.gz YICIFHJRGFXALP-TZRRMPRUSA-N 1 0 475.722 4.714 20 0 JJADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)nc3)ccc21 ZINC001434946717 1064367194 /nfs/dbraw/zinc/36/71/94/1064367194.db2.gz OMFHESNKRNKFNQ-UHFFFAOYSA-N 1 0 451.571 4.977 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(C1)CCCOC2)[NH+](C)C ZINC001359764870 1064385252 /nfs/dbraw/zinc/38/52/52/1064385252.db2.gz LBDRBYPHYXAVJQ-UZINWLIJSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)[NH+](C)C ZINC001359765085 1064386845 /nfs/dbraw/zinc/38/68/45/1064386845.db2.gz PNRJPYVXCTYVOY-IKJKNFHUSA-N 1 0 473.637 4.681 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001359765195 1064386896 /nfs/dbraw/zinc/38/68/96/1064386896.db2.gz ROJSVCDNFFQUBW-RBBKRZOGSA-N 1 0 473.637 4.683 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC001359765827 1064389034 /nfs/dbraw/zinc/38/90/34/1064389034.db2.gz CLGQPSRXMNEBRP-QEUVDIPISA-N 1 0 459.704 4.721 20 0 JJADRO CCCN(C(=O)c1ccc(NC(=O)N(C)C)cc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001434974645 1064389760 /nfs/dbraw/zinc/38/97/60/1064389760.db2.gz GOWMNBMMKPJZBR-NRFANRHFSA-N 1 0 457.018 4.950 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC2CC2)C1)[NH+](C)C ZINC001359765859 1064389653 /nfs/dbraw/zinc/38/96/53/1064389653.db2.gz CZSICPVUMBKBHM-PKTZIBPZSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CCc1nccs1)[NH+](C)C ZINC001359766302 1064390949 /nfs/dbraw/zinc/39/09/49/1064390949.db2.gz LBYNUFNZQOMJIQ-OAHLLOKOSA-N 1 0 497.532 4.881 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+](C)C ZINC001359766308 1064391090 /nfs/dbraw/zinc/39/10/90/1064391090.db2.gz LGGGJGCODLCDHR-QHCPKHFHSA-N 1 0 494.684 4.751 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001359766368 1064391800 /nfs/dbraw/zinc/39/18/00/1064391800.db2.gz MIHNSPOMNSXZDP-VWLOTQADSA-N 1 0 495.716 4.522 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001359766425 1064391923 /nfs/dbraw/zinc/39/19/23/1064391923.db2.gz NPGFVYSGTZWBOD-KRWDZBQOSA-N 1 0 496.519 4.895 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001359766367 1064392011 /nfs/dbraw/zinc/39/20/11/1064392011.db2.gz MIHNSPOMNSXZDP-RUZDIDTESA-N 1 0 495.716 4.522 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(F)(F)C1)[NH+](C)C ZINC001359766423 1064392042 /nfs/dbraw/zinc/39/20/42/1064392042.db2.gz NNQDBYVCBITOBQ-KRWDZBQOSA-N 1 0 456.379 4.529 20 0 JJADRO C[C@@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434977228 1064392526 /nfs/dbraw/zinc/39/25/26/1064392526.db2.gz HNGACOMQBCBBOU-OAHLLOKOSA-N 1 0 458.990 4.845 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[C@@H](C)C1)[NH+](C)C ZINC001359766520 1064392670 /nfs/dbraw/zinc/39/26/70/1064392670.db2.gz PCUSNLCEAWAWFK-HRCADAONSA-N 1 0 454.482 4.838 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](Oc2ccccn2)C1)[NH+](C)C ZINC001359766608 1064393449 /nfs/dbraw/zinc/39/34/49/1064393449.db2.gz QEKCRFOMAGTPLB-WOJBJXKFSA-N 1 0 469.033 4.628 20 0 JJADRO CC(C)COc1ccc(C(C)(C)C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001434978521 1064394705 /nfs/dbraw/zinc/39/47/05/1064394705.db2.gz JWGYJPFOYFHBJB-FQEVSTJZSA-N 1 0 455.618 4.767 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCCC2=O)CC1)[NH+](C)C ZINC001359767030 1064395257 /nfs/dbraw/zinc/39/52/57/1064395257.db2.gz ZDAGJTNMCWPZQG-OAQYLSRUSA-N 1 0 487.092 4.556 20 0 JJADRO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434979263 1064395477 /nfs/dbraw/zinc/39/54/77/1064395477.db2.gz LXVNDAUBNQPGPW-KRWDZBQOSA-N 1 0 452.599 4.809 20 0 JJADRO CC(C)COc1ncc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1Cl ZINC001434980802 1064397370 /nfs/dbraw/zinc/39/73/70/1064397370.db2.gz FXMVATBFAWINAV-UHFFFAOYSA-N 1 0 458.990 4.837 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+](C)C ZINC001359768136 1064397737 /nfs/dbraw/zinc/39/77/37/1064397737.db2.gz UWWUXZHDPWZWRT-ZJSXRUAMSA-N 1 0 463.674 4.980 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001359768280 1064397779 /nfs/dbraw/zinc/39/77/79/1064397779.db2.gz XSPDVNDPQCJFLH-XMMPIXPASA-N 1 0 478.616 4.555 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001359768192 1064397823 /nfs/dbraw/zinc/39/78/23/1064397823.db2.gz WAHHAELICCTUSQ-OAQYLSRUSA-N 1 0 460.548 4.972 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC001359770126 1064400818 /nfs/dbraw/zinc/40/08/18/1064400818.db2.gz ZHCFDYDAAANERK-IAGOWNOFSA-N 1 0 470.609 4.991 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC001359770125 1064400858 /nfs/dbraw/zinc/40/08/58/1064400858.db2.gz ZHCFDYDAAANERK-DLBZAZTESA-N 1 0 470.609 4.991 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1)[NH+](C)C ZINC001359769849 1064400910 /nfs/dbraw/zinc/40/09/10/1064400910.db2.gz VRLMIUVJKVFYDW-OEXSPLCWSA-N 1 0 494.700 4.553 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC001359770128 1064400965 /nfs/dbraw/zinc/40/09/65/1064400965.db2.gz ZHCFDYDAAANERK-SJORKVTESA-N 1 0 470.609 4.991 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(-n2cncn2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001434984953 1064401095 /nfs/dbraw/zinc/40/10/95/1064401095.db2.gz CRLMTNQUFANERU-IBGZPJMESA-N 1 0 451.880 4.961 20 0 JJADRO CC(C)C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1cccc(F)c1)[NH+](C)C ZINC001359771659 1064405861 /nfs/dbraw/zinc/40/58/61/1064405861.db2.gz ASDUFQRHKGRTOC-VXKWHMMOSA-N 1 0 498.672 4.727 20 0 JJADRO CC(C)C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1cccc(F)c1)[NH+](C)C ZINC001359771660 1064406116 /nfs/dbraw/zinc/40/61/16/1064406116.db2.gz ASDUFQRHKGRTOC-YADHBBJMSA-N 1 0 498.672 4.727 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+](C)C ZINC001359771591 1064406178 /nfs/dbraw/zinc/40/61/78/1064406178.db2.gz ZUXXMWRVAZZEMM-GOSISDBHSA-N 1 0 454.421 4.884 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001359771906 1064406740 /nfs/dbraw/zinc/40/67/40/1064406740.db2.gz GJJPBBCTBMEMCD-LSWJPFSZSA-N 1 0 459.654 4.925 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccccc2C1)[NH+](C)C ZINC001359771932 1064406842 /nfs/dbraw/zinc/40/68/42/1064406842.db2.gz GOJWYPRFKSGDEG-PKTZIBPZSA-N 1 0 482.673 4.847 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1)[NH+](C)C ZINC001359772517 1064408974 /nfs/dbraw/zinc/40/89/74/1064408974.db2.gz RBIACPPLQRNRCO-RBBKRZOGSA-N 1 0 479.591 4.844 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C)[NH+](C)C ZINC001359772810 1064409014 /nfs/dbraw/zinc/40/90/14/1064409014.db2.gz WQECYRZNCJOZDT-BDTNDASRSA-N 1 0 476.710 4.951 20 0 JJADRO CC(C)C[C@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21)[NH+](C)C ZINC001359772826 1064409882 /nfs/dbraw/zinc/40/98/82/1064409882.db2.gz WUZRVIHMUMTQKF-AICRDVKUSA-N 1 0 453.675 4.891 20 0 JJADRO CC(C)C[C@H](Cn1c(N(C)CCc2ccc(Br)cc2)nnc1C(C)(C)C)[NH+](C)C ZINC001359772837 1064409906 /nfs/dbraw/zinc/40/99/06/1064409906.db2.gz WXGPCQAGYMSGIP-HXUWFJFHSA-N 1 0 464.496 4.993 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001359777406 1064421474 /nfs/dbraw/zinc/42/14/74/1064421474.db2.gz JGEUKUAQSLEVTP-WRALFONMSA-N 1 0 453.675 4.781 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001359777376 1064421510 /nfs/dbraw/zinc/42/15/10/1064421510.db2.gz IREUAOTXQICNDO-QFIPXVFZSA-N 1 0 497.485 4.783 20 0 JJADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001359777802 1064422057 /nfs/dbraw/zinc/42/20/57/1064422057.db2.gz RGPBCCWWGFJVBI-MHZLTWQESA-N 1 0 453.675 4.519 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001359779298 1064425385 /nfs/dbraw/zinc/42/53/85/1064425385.db2.gz IKOVYKISTVZKIC-UHFFFAOYSA-N 1 0 453.034 4.806 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359780202 1064428710 /nfs/dbraw/zinc/42/87/10/1064428710.db2.gz NLGYBRJQEGSHSH-HDICACEKSA-N 1 0 485.570 4.770 20 0 JJADRO CC(C)(C)OC(=O)[C@]1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1(C)C ZINC001435014832 1064431659 /nfs/dbraw/zinc/43/16/59/1064431659.db2.gz SPTUMOWARJWGSI-AREMUKBSSA-N 1 0 457.615 4.588 20 0 JJADRO CC(C)Cc1nnc(N(C)CCOc2ccccc2Cl)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359786102 1064439805 /nfs/dbraw/zinc/43/98/05/1064439805.db2.gz LIZZHNMBRARVDA-BGYRXZFFSA-N 1 0 478.081 4.533 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001359790698 1064447444 /nfs/dbraw/zinc/44/74/44/1064447444.db2.gz XNCTXEQJJWNTOL-SCTDSRPQSA-N 1 0 471.593 4.531 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001545888281 1064448158 /nfs/dbraw/zinc/44/81/58/1064448158.db2.gz FWWXBCDGNNPSRL-IBGZPJMESA-N 1 0 487.092 4.533 20 0 JJADRO CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001359793088 1064450910 /nfs/dbraw/zinc/45/09/10/1064450910.db2.gz RBNDIZOBYMIUPY-IRXDYDNUSA-N 1 0 460.464 4.846 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359793720 1064451948 /nfs/dbraw/zinc/45/19/48/1064451948.db2.gz QZFBTNYXXTWXGW-YSIASYRMSA-N 1 0 459.685 4.869 20 0 JJADRO COC(=O)CSCc1cccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001359795139 1064453746 /nfs/dbraw/zinc/45/37/46/1064453746.db2.gz HZINJMBKMUCDMA-IBGZPJMESA-N 1 0 456.608 4.598 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cc(Cl)c(F)cc3Cl)CC2)c1C ZINC001359795694 1064454553 /nfs/dbraw/zinc/45/45/53/1064454553.db2.gz NOGBXIBEPWHGOE-UHFFFAOYSA-N 1 0 454.373 4.890 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359796969 1064457979 /nfs/dbraw/zinc/45/79/79/1064457979.db2.gz QNXQPBAMQIBIHG-OAQYLSRUSA-N 1 0 457.688 4.758 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359800773 1064467970 /nfs/dbraw/zinc/46/79/70/1064467970.db2.gz KTXNAFGESRCCGS-RUZDIDTESA-N 1 0 471.665 4.830 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001359802095 1064469742 /nfs/dbraw/zinc/46/97/42/1064469742.db2.gz HUDAVUDNKLOCMT-AJTFRIOCSA-N 1 0 453.675 4.519 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001359802097 1064470616 /nfs/dbraw/zinc/47/06/16/1064470616.db2.gz HUDAVUDNKLOCMT-CUNXSJBXSA-N 1 0 453.675 4.519 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001359808365 1064479659 /nfs/dbraw/zinc/47/96/59/1064479659.db2.gz NGKPCDRDPGFEII-GMAHTHKFSA-N 1 0 498.682 4.842 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001359808260 1064479863 /nfs/dbraw/zinc/47/98/63/1064479863.db2.gz LDRIPUBTZYXVCZ-UHFFFAOYSA-N 1 0 483.705 4.611 20 0 JJADRO Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001435062439 1064480756 /nfs/dbraw/zinc/48/07/56/1064480756.db2.gz WZSGIDUDWMGUQK-VWLOTQADSA-N 1 0 459.615 4.781 20 0 JJADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001435062202 1064480891 /nfs/dbraw/zinc/48/08/91/1064480891.db2.gz BLHXUWPZUNCMMQ-UHFFFAOYSA-N 1 0 455.574 4.717 20 0 JJADRO CC(C)Cc1nnc(N2CCC(COc3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359809169 1064482681 /nfs/dbraw/zinc/48/26/81/1064482681.db2.gz IUAZHOIXIPXFAI-HSZRJFAPSA-N 1 0 453.675 4.894 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001359809264 1064482687 /nfs/dbraw/zinc/48/26/87/1064482687.db2.gz LFYHJXKFDXCDRC-FDFHNCONSA-N 1 0 471.665 4.745 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](COCc3ccccc3)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001359809237 1064482718 /nfs/dbraw/zinc/48/27/18/1064482718.db2.gz KXFNHUAGZDSRFE-DEOSSOPVSA-N 1 0 453.675 4.784 20 0 JJADRO Cc1c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)nnn1-c1ccccc1 ZINC001435064267 1064483345 /nfs/dbraw/zinc/48/33/45/1064483345.db2.gz JYCQNTULOZNDLI-UHFFFAOYSA-N 1 0 458.393 4.621 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359811575 1064487770 /nfs/dbraw/zinc/48/77/70/1064487770.db2.gz RTUWWFSEAXIMCK-DNQXCXABSA-N 1 0 498.716 4.737 20 0 JJADRO CC(C)Cc1nnc(N2CCC(N(C)c3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359811795 1064488378 /nfs/dbraw/zinc/48/83/78/1064488378.db2.gz ZJQDWIAHARSTKG-HSZRJFAPSA-N 1 0 452.691 4.704 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359814803 1064493723 /nfs/dbraw/zinc/49/37/23/1064493723.db2.gz BCLGAZHRPAVIHY-HSZRJFAPSA-N 1 0 485.692 4.844 20 0 JJADRO CC(C)Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359814844 1064493815 /nfs/dbraw/zinc/49/38/15/1064493815.db2.gz BZNKWRNCHDCYFE-FQEVSTJZSA-N 1 0 475.628 4.923 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359815628 1064497054 /nfs/dbraw/zinc/49/70/54/1064497054.db2.gz QMVDKULVPONKHC-GOTSBHOMSA-N 1 0 499.719 4.946 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359815762 1064497112 /nfs/dbraw/zinc/49/71/12/1064497112.db2.gz UQEKDAPRUTZSKJ-HXUWFJFHSA-N 1 0 489.636 4.607 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359817376 1064499858 /nfs/dbraw/zinc/49/98/58/1064499858.db2.gz CCPGWOBVPDAMGT-LADGPHEKSA-N 1 0 453.675 4.783 20 0 JJADRO C[C@H](CNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[N@@H+]1CCc2ccccc2C1 ZINC001359828460 1064510164 /nfs/dbraw/zinc/51/01/64/1064510164.db2.gz HUNRVNXAQQFBHP-QGZVFWFLSA-N 1 0 458.002 4.793 20 0 JJADRO C[NH+](C)CCCOc1ccc(NC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)cc1 ZINC001435094906 1064510609 /nfs/dbraw/zinc/51/06/09/1064510609.db2.gz JSQQIRRWOJBMDR-UHFFFAOYSA-N 1 0 459.472 4.822 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359830136 1064512231 /nfs/dbraw/zinc/51/22/31/1064512231.db2.gz COHREOUYSWJOJR-FYYLOGMGSA-N 1 0 463.674 4.724 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359830384 1064512989 /nfs/dbraw/zinc/51/29/89/1064512989.db2.gz IDZFXJKGBLFPLW-SJORKVTESA-N 1 0 470.609 4.676 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001359830382 1064513177 /nfs/dbraw/zinc/51/31/77/1064513177.db2.gz IDZFXJKGBLFPLW-IAGOWNOFSA-N 1 0 470.609 4.676 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359831742 1064514858 /nfs/dbraw/zinc/51/48/58/1064514858.db2.gz BBUKFELSLXCGJC-DNVJHFABSA-N 1 0 488.765 4.612 20 0 JJADRO O=C(N1CCc2ccc(Br)cc21)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001435104923 1064516198 /nfs/dbraw/zinc/51/61/98/1064516198.db2.gz FEFIOLHUDGEIFA-HXUWFJFHSA-N 1 0 453.302 4.793 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001359832825 1064517088 /nfs/dbraw/zinc/51/70/88/1064517088.db2.gz PCTRBTIDSWCMOF-DNRQZRRGSA-N 1 0 459.704 4.537 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359832870 1064517116 /nfs/dbraw/zinc/51/71/16/1064517116.db2.gz PXZMHMMHBCNPIX-QHCPKHFHSA-N 1 0 490.737 4.682 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359832980 1064517136 /nfs/dbraw/zinc/51/71/36/1064517136.db2.gz RQFCALBJQLHYTG-FGZHOGPDSA-N 1 0 476.710 4.577 20 0 JJADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001359844646 1064530549 /nfs/dbraw/zinc/53/05/49/1064530549.db2.gz FQZVRRCOCHUIQH-UHFFFAOYSA-N 1 0 452.549 4.759 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(CNC(C)=O)c1 ZINC001359846983 1064533375 /nfs/dbraw/zinc/53/33/75/1064533375.db2.gz DUJHXKGIGUFCHR-UHFFFAOYSA-N 1 0 450.410 4.614 20 0 JJADRO O=C(CSCc1ccc(Br)cc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001435138623 1064540403 /nfs/dbraw/zinc/54/04/03/1064540403.db2.gz PTBQFFJQDBXAGS-UHFFFAOYSA-N 1 0 457.503 4.550 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001359853071 1064540789 /nfs/dbraw/zinc/54/07/89/1064540789.db2.gz DNNMHXQBTKEONY-HXUWFJFHSA-N 1 0 454.439 4.705 20 0 JJADRO C[S@](=O)c1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1F ZINC001435142236 1064542494 /nfs/dbraw/zinc/54/24/94/1064542494.db2.gz MSCXSFZUSGKSDB-DUSFWOOLSA-N 1 0 450.579 4.592 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359855617 1064543177 /nfs/dbraw/zinc/54/31/77/1064543177.db2.gz QJMCGHBMSBYKSQ-KOENEWCDSA-N 1 0 490.737 4.680 20 0 JJADRO CC(C)Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCSc1ccccc1 ZINC001359856825 1064544272 /nfs/dbraw/zinc/54/42/72/1064544272.db2.gz SMWVKSCRCVMRQY-UHFFFAOYSA-N 1 0 484.758 4.654 20 0 JJADRO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC001435145428 1064545658 /nfs/dbraw/zinc/54/56/58/1064545658.db2.gz RQSHCUBODACOQV-SFHVURJKSA-N 1 0 452.599 4.606 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1cccc(C(F)F)c1 ZINC001359859290 1064547000 /nfs/dbraw/zinc/54/70/00/1064547000.db2.gz AEQCKRLYOIVJRY-UHFFFAOYSA-N 1 0 459.610 4.889 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001359859396 1064547034 /nfs/dbraw/zinc/54/70/34/1064547034.db2.gz CPJLEBBQZHPIPG-UHFFFAOYSA-N 1 0 470.609 4.703 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359859389 1064547327 /nfs/dbraw/zinc/54/73/27/1064547327.db2.gz CIGFAWXVSFJBOP-UHFFFAOYSA-N 1 0 481.733 4.899 20 0 JJADRO CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359859757 1064548085 /nfs/dbraw/zinc/54/80/85/1064548085.db2.gz DKUILYDZERFCFF-SZPZYZBQSA-N 1 0 472.747 4.617 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001359860888 1064550318 /nfs/dbraw/zinc/55/03/18/1064550318.db2.gz YKGPUNFWJISRBO-UHFFFAOYSA-N 1 0 477.600 4.970 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359860836 1064550428 /nfs/dbraw/zinc/55/04/28/1064550428.db2.gz XMEGNFBVOOXWAM-UHFFFAOYSA-N 1 0 498.682 4.843 20 0 JJADRO CSc1cccc(N(C(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C2CC[NH+](C)CC2)c1 ZINC001435150882 1064551211 /nfs/dbraw/zinc/55/12/11/1064551211.db2.gz WJDNOXYXOPMASN-UHFFFAOYSA-N 1 0 453.652 4.925 20 0 JJADRO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359861378 1064552322 /nfs/dbraw/zinc/55/23/22/1064552322.db2.gz TVTPFGAOAYRXCB-GOTSBHOMSA-N 1 0 487.136 4.820 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CCC[N@H+](C)C(C)C ZINC001359865944 1064556315 /nfs/dbraw/zinc/55/63/15/1064556315.db2.gz KYFSUGKLSIMHCL-NRFANRHFSA-N 1 0 478.479 4.547 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001359866748 1064558526 /nfs/dbraw/zinc/55/85/26/1064558526.db2.gz YSKGBQNTZBVLRJ-HSZRJFAPSA-N 1 0 460.066 4.972 20 0 JJADRO C[C@H](CNC(=O)c1cccnc1Oc1ccc(Br)cc1)[N@H+](C)Cc1ccccc1 ZINC001435166805 1064561988 /nfs/dbraw/zinc/56/19/88/1064561988.db2.gz SBKZNVCGPAQASG-QGZVFWFLSA-N 1 0 454.368 4.887 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001359878210 1064569418 /nfs/dbraw/zinc/56/94/18/1064569418.db2.gz HMHXPBDTEZBKRR-MSOLQXFVSA-N 1 0 496.519 4.610 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001359878214 1064569765 /nfs/dbraw/zinc/56/97/65/1064569765.db2.gz HMHXPBDTEZBKRR-QZTJIDSGSA-N 1 0 496.519 4.610 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001435188464 1064577686 /nfs/dbraw/zinc/57/76/86/1064577686.db2.gz KEYUTSIMIPTFIO-QGZVFWFLSA-N 1 0 451.514 4.717 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001435188766 1064577970 /nfs/dbraw/zinc/57/79/70/1064577970.db2.gz NUMPJVLWQXLZOM-AOYPEHQESA-N 1 0 457.574 4.612 20 0 JJADRO COC1CC[NH+](C2(CNC(=O)c3cnc(OC4CCCCC4)c(Cl)c3)CCCC2)CC1 ZINC001435188826 1064578377 /nfs/dbraw/zinc/57/83/77/1064578377.db2.gz OUAVLAOIFBBQQG-UHFFFAOYSA-N 1 0 450.023 4.600 20 0 JJADRO Cc1ccc(SCCC(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001435190028 1064579654 /nfs/dbraw/zinc/57/96/54/1064579654.db2.gz CTAWJWWMHVVZSI-UHFFFAOYSA-N 1 0 451.558 4.564 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)CC2(CSc3ccccc3)CC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001435190229 1064579706 /nfs/dbraw/zinc/57/97/06/1064579706.db2.gz WAPNSZACGZNQQN-QFIPXVFZSA-N 1 0 451.636 4.754 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001359885274 1064580082 /nfs/dbraw/zinc/58/00/82/1064580082.db2.gz YDZCAMOGMAMQRA-QFIPXVFZSA-N 1 0 486.705 4.527 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC001435198704 1064586281 /nfs/dbraw/zinc/58/62/81/1064586281.db2.gz OHUGDTPEWUOHIH-IFMALSPDSA-N 1 0 452.986 4.801 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001435204945 1064590869 /nfs/dbraw/zinc/59/08/69/1064590869.db2.gz BZBGGIMYWUTTTO-HNNXBMFYSA-N 1 0 451.792 4.848 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001359895026 1064596719 /nfs/dbraw/zinc/59/67/19/1064596719.db2.gz WBCHVDDNTGDARA-SKVJQKLOSA-N 1 0 483.701 4.808 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(F)cc3C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545889619 1064604662 /nfs/dbraw/zinc/60/46/62/1064604662.db2.gz BYEPQLZOKQQXSB-SFTDATJTSA-N 1 0 498.691 4.656 20 0 JJADRO CC(C)CCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001359901770 1064611479 /nfs/dbraw/zinc/61/14/79/1064611479.db2.gz CPBAORAXNVIGKT-UHFFFAOYSA-N 1 0 452.466 4.737 20 0 JJADRO CC(C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359902495 1064614795 /nfs/dbraw/zinc/61/47/95/1064614795.db2.gz OTXYQMPLGNRKJK-UHFFFAOYSA-N 1 0 464.029 4.722 20 0 JJADRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCc1ccc(Cl)cc1Cl ZINC001435253046 1064629149 /nfs/dbraw/zinc/62/91/49/1064629149.db2.gz ACSDUQZLCXIEPQ-MGPUTAFESA-N 1 0 451.394 4.993 20 0 JJADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OCc1csc(Br)c1 ZINC001435254102 1064631023 /nfs/dbraw/zinc/63/10/23/1064631023.db2.gz GXYOCCGMLHHZGS-CRAIPNDOSA-N 1 0 451.430 4.810 20 0 JJADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001435259937 1064635979 /nfs/dbraw/zinc/63/59/79/1064635979.db2.gz FIKPCKBGJVJBRJ-FUPPJEDESA-N 1 0 457.640 4.588 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCCCC1 ZINC001359915114 1064636543 /nfs/dbraw/zinc/63/65/43/1064636543.db2.gz ZNZYOCOUUWTZOS-UHFFFAOYSA-N 1 0 452.416 4.815 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)[C@H]1c1cccs1 ZINC001435261631 1064637699 /nfs/dbraw/zinc/63/76/99/1064637699.db2.gz PLWYUOXGIZPQML-SEEQCCGUSA-N 1 0 459.700 4.893 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(Cl)cc2Br)[C@H]1c1cccs1 ZINC001435263291 1064639728 /nfs/dbraw/zinc/63/97/28/1064639728.db2.gz ZRLSTPOEVJIEIZ-DJJJIMSYSA-N 1 0 457.821 4.742 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359918591 1064641865 /nfs/dbraw/zinc/64/18/65/1064641865.db2.gz KZXVYVLNUWHKJT-URXFXBBRSA-N 1 0 455.647 4.641 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC001435266291 1064644141 /nfs/dbraw/zinc/64/41/41/1064644141.db2.gz VMXURGNNCIEMKT-IBGZPJMESA-N 1 0 455.908 4.612 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC001435266294 1064644261 /nfs/dbraw/zinc/64/42/61/1064644261.db2.gz VMXURGNNCIEMKT-LJQANCHMSA-N 1 0 455.908 4.612 20 0 JJADRO CC(C)CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CC[C@H](C)C1 ZINC001359921528 1064647612 /nfs/dbraw/zinc/64/76/12/1064647612.db2.gz LDEKUFMJQZRPFI-ZEQRLZLVSA-N 1 0 452.691 4.561 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001435272779 1064650614 /nfs/dbraw/zinc/65/06/14/1064650614.db2.gz KOWOVJJNNOUCRB-KMDXXIMOSA-N 1 0 457.659 4.831 20 0 JJADRO CC(C)CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC001359923168 1064650647 /nfs/dbraw/zinc/65/06/47/1064650647.db2.gz AFSXDCQLRZNFAK-QHCPKHFHSA-N 1 0 460.066 4.970 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001545890050 1064668336 /nfs/dbraw/zinc/66/83/36/1064668336.db2.gz ORYFMTBGWOARSK-OAQYLSRUSA-N 1 0 498.691 4.971 20 0 JJADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)CC2)c1 ZINC001359935697 1064679398 /nfs/dbraw/zinc/67/93/98/1064679398.db2.gz KYYKNXCXHPYYJT-VRJAVKNASA-N 1 0 460.405 4.944 20 0 JJADRO CC(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001359940670 1064685021 /nfs/dbraw/zinc/68/50/21/1064685021.db2.gz NLJGPDMDFJWEFH-UHFFFAOYSA-N 1 0 460.066 4.650 20 0 JJADRO COc1cc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c2ccccc2n1 ZINC001435316115 1064688447 /nfs/dbraw/zinc/68/84/47/1064688447.db2.gz LISDOXLRGMMTEU-IBGZPJMESA-N 1 0 457.496 4.770 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC001435318717 1064691812 /nfs/dbraw/zinc/69/18/12/1064691812.db2.gz JBQTYUIPOLBHOJ-UHFFFAOYSA-N 1 0 459.015 4.672 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001359947770 1064697225 /nfs/dbraw/zinc/69/72/25/1064697225.db2.gz COAVGRRBUGUUAT-VWLOTQADSA-N 1 0 487.664 4.616 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001359947968 1064698750 /nfs/dbraw/zinc/69/87/50/1064698750.db2.gz QPRBWROOJCNHGG-IBGZPJMESA-N 1 0 490.643 4.650 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCSCC2)CC1 ZINC001359947900 1064698796 /nfs/dbraw/zinc/69/87/96/1064698796.db2.gz GGLDQGFQURILFQ-UHFFFAOYSA-N 1 0 462.107 4.834 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC001359947969 1064698830 /nfs/dbraw/zinc/69/88/30/1064698830.db2.gz QPRBWROOJCNHGG-LJQANCHMSA-N 1 0 490.643 4.650 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC001359948554 1064700162 /nfs/dbraw/zinc/70/01/62/1064700162.db2.gz NUOOXYRAPRWVIQ-HSZRJFAPSA-N 1 0 455.695 4.700 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccc3F)nnc2N(C)CCc2nccs2)CC1 ZINC001359948586 1064700533 /nfs/dbraw/zinc/70/05/33/1064700533.db2.gz OUTZHXPBPLXWOH-UHFFFAOYSA-N 1 0 470.662 4.978 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2cccs2)CC1 ZINC001359948658 1064700557 /nfs/dbraw/zinc/70/05/57/1064700557.db2.gz XVMJFQJYASWQPT-NRFANRHFSA-N 1 0 472.703 4.577 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001359948723 1064700616 /nfs/dbraw/zinc/70/06/16/1064700616.db2.gz ZTIZMIMGQUKQGN-UHFFFAOYSA-N 1 0 481.110 4.526 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C3CCCC3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001359948862 1064701143 /nfs/dbraw/zinc/70/11/43/1064701143.db2.gz SGAXATLBJVYAIY-UHFFFAOYSA-N 1 0 462.086 4.717 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001359948999 1064701467 /nfs/dbraw/zinc/70/14/67/1064701467.db2.gz VGERGMOADWKGCB-UHFFFAOYSA-N 1 0 452.981 4.597 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC001359948971 1064701636 /nfs/dbraw/zinc/70/16/36/1064701636.db2.gz UVUTUTRTTCNEPH-UHFFFAOYSA-N 1 0 488.765 4.708 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C3CCC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001359949171 1064702004 /nfs/dbraw/zinc/70/20/04/1064702004.db2.gz XTLSOKALCRETQA-NRFANRHFSA-N 1 0 471.612 4.851 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)CC1 ZINC001359949971 1064702670 /nfs/dbraw/zinc/70/26/70/1064702670.db2.gz AWPRKSQYXWYIJC-SZPZYZBQSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001359950515 1064705429 /nfs/dbraw/zinc/70/54/29/1064705429.db2.gz JYXFLCZPUQCSON-SFTDATJTSA-N 1 0 469.674 4.856 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001359952517 1064715579 /nfs/dbraw/zinc/71/55/79/1064715579.db2.gz XMERWSHSRSNQTK-UHFFFAOYSA-N 1 0 498.716 4.595 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001359954007 1064717633 /nfs/dbraw/zinc/71/76/33/1064717633.db2.gz AGVNCGXHPNKTFN-RDGATRHJSA-N 1 0 469.674 4.716 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001435357259 1064721574 /nfs/dbraw/zinc/72/15/74/1064721574.db2.gz OFPLXKUILPSBIE-FQEVSTJZSA-N 1 0 452.595 4.825 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCCC2)CC1 ZINC001359955053 1064722586 /nfs/dbraw/zinc/72/25/86/1064722586.db2.gz UWOBECIYHMNJMZ-UHFFFAOYSA-N 1 0 493.494 4.553 20 0 JJADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001435358498 1064722771 /nfs/dbraw/zinc/72/27/71/1064722771.db2.gz COECPTVASFSFOL-YADARESESA-N 1 0 457.412 4.731 20 0 JJADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001435358497 1064722838 /nfs/dbraw/zinc/72/28/38/1064722838.db2.gz COECPTVASFSFOL-NTKDMRAZSA-N 1 0 457.412 4.731 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@H+]2CC=CCC2)cc1 ZINC001359955414 1064724528 /nfs/dbraw/zinc/72/45/28/1064724528.db2.gz WLPIQNWKHVULED-QFIPXVFZSA-N 1 0 467.658 4.636 20 0 JJADRO CC(C)CCOC1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001359958611 1064728625 /nfs/dbraw/zinc/72/86/25/1064728625.db2.gz BJYQGUPDWJXORF-HNVPCBRESA-N 1 0 461.695 4.672 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001435379787 1064731226 /nfs/dbraw/zinc/73/12/26/1064731226.db2.gz TZVSKFZLEZJIBT-UZLBHIALSA-N 1 0 454.368 4.887 20 0 JJADRO CC[C@@H](C)n1c(SCC(=O)NC2CCC([NH+]3CCCCC3)CC2)nnc1-c1ccccc1 ZINC001435386433 1064733897 /nfs/dbraw/zinc/73/38/97/1064733897.db2.gz FFLIQZSAXFZIPF-JSRJAPPDSA-N 1 0 455.672 4.922 20 0 JJADRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(F)cc2-c2nc(CCOc3ccccc3)no2)CC1 ZINC001435394623 1064737800 /nfs/dbraw/zinc/73/78/00/1064737800.db2.gz CKNUCRXKDAEOSI-UHFFFAOYSA-N 1 0 452.530 4.556 20 0 JJADRO C[N@H+](CCNC(=O)c1cccnc1Oc1cccc(Br)c1)Cc1ccc(F)cc1 ZINC001435415577 1064746674 /nfs/dbraw/zinc/74/66/74/1064746674.db2.gz CFTHWXATMYZUPE-UHFFFAOYSA-N 1 0 458.331 4.637 20 0 JJADRO CC(C)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359970789 1064747165 /nfs/dbraw/zinc/74/71/65/1064747165.db2.gz DMXWUUUGQDNLLO-UFYCRDLUSA-N 1 0 464.054 4.663 20 0 JJADRO CC(C)CN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1([NH+](C)C)CCSC1)C(C)C ZINC001359982591 1064758045 /nfs/dbraw/zinc/75/80/45/1064758045.db2.gz CLQQOSPIFPVEFL-YADARESESA-N 1 0 463.667 4.865 20 0 JJADRO CC(C)CN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001359983702 1064760757 /nfs/dbraw/zinc/76/07/57/1064760757.db2.gz WKUDUBOBNCYCRG-QSEAXJEQSA-N 1 0 477.738 4.946 20 0 JJADRO CC(C)CN(c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCCCC1)C(C)C ZINC001359985721 1064765026 /nfs/dbraw/zinc/76/50/26/1064765026.db2.gz OPEFWFBVURAWOM-UHFFFAOYSA-N 1 0 451.457 4.783 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC001435460493 1064770177 /nfs/dbraw/zinc/77/01/77/1064770177.db2.gz LGMUORKNXSIVHR-NCEJBBRPSA-N 1 0 453.671 4.515 20 0 JJADRO CC(C)CN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C)C(C)C ZINC001359990288 1064772267 /nfs/dbraw/zinc/77/22/67/1064772267.db2.gz VZRWTKUQYHIWFY-HSZRJFAPSA-N 1 0 496.729 4.687 20 0 JJADRO CC(C)CN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CC1(C)C)C(C)C ZINC001359991889 1064773751 /nfs/dbraw/zinc/77/37/51/1064773751.db2.gz IZRUXUKGTOBCRH-HSZRJFAPSA-N 1 0 452.691 4.560 20 0 JJADRO CC(C)CN(c1nnc(Cc2ccsc2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C(C)C ZINC001359992069 1064774319 /nfs/dbraw/zinc/77/43/19/1064774319.db2.gz LSFICKHSJIJHBY-UHFFFAOYSA-N 1 0 481.710 4.806 20 0 JJADRO COC(=O)[C@@H]1CCC[C@@H](C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)C1 ZINC001435473641 1064778656 /nfs/dbraw/zinc/77/86/56/1064778656.db2.gz ZETMLHXBAQVDRC-DBXWQHBBSA-N 1 0 457.442 4.888 20 0 JJADRO CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001359995245 1064780286 /nfs/dbraw/zinc/78/02/86/1064780286.db2.gz DQNVTZMFINMBLU-UHFFFAOYSA-N 1 0 490.471 4.626 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3sc(-c4ccccc4)nc3C(F)F)nc2)CC1 ZINC001435478124 1064780806 /nfs/dbraw/zinc/78/08/06/1064780806.db2.gz TXCULEMKZIQTDM-UHFFFAOYSA-N 1 0 457.550 4.925 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360007187 1064793867 /nfs/dbraw/zinc/79/38/67/1064793867.db2.gz AACNHUUCKSQKCR-OFNKIYASSA-N 1 0 460.066 4.972 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)Cc2c[nH]c3cc(C)ccc23)cc1Cl ZINC001435510226 1064796474 /nfs/dbraw/zinc/79/64/74/1064796474.db2.gz OQRJCEYAJLXDFN-UHFFFAOYSA-N 1 0 455.002 4.773 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001360008575 1064798089 /nfs/dbraw/zinc/79/80/89/1064798089.db2.gz TZNDZCSDPIVVKF-DENIHFKCSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N(C)CC2CC2)C1 ZINC001360009519 1064798871 /nfs/dbraw/zinc/79/88/71/1064798871.db2.gz BOJYWLDUQARWQZ-LJQANCHMSA-N 1 0 460.464 4.922 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CCOC3)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001360010010 1064800929 /nfs/dbraw/zinc/80/09/29/1064800929.db2.gz ITUAWYRGCBJIOR-HKUYNNGSSA-N 1 0 496.519 4.610 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(Br)o2)C1 ZINC001360010236 1064801683 /nfs/dbraw/zinc/80/16/83/1064801683.db2.gz MYNJWVYBFNAFGN-GOSISDBHSA-N 1 0 487.446 4.700 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360010572 1064802467 /nfs/dbraw/zinc/80/24/67/1064802467.db2.gz RVZQZUMVRJKUME-MSOLQXFVSA-N 1 0 496.519 4.610 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001360010467 1064802833 /nfs/dbraw/zinc/80/28/33/1064802833.db2.gz QFRXTVDYVLMLFL-YADARESESA-N 1 0 485.639 4.833 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC(F)(F)F)C1 ZINC001360010599 1064803544 /nfs/dbraw/zinc/80/35/44/1064803544.db2.gz SGLNQFYDISZDQA-MRXNPFEDSA-N 1 0 459.507 4.514 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC(C)(C)C)C1 ZINC001360011369 1064805178 /nfs/dbraw/zinc/80/51/78/1064805178.db2.gz CQWUARFEDIVMQN-VSKRKVRLSA-N 1 0 490.737 4.899 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@@H]2CCOC2)C1 ZINC001360011719 1064806609 /nfs/dbraw/zinc/80/66/09/1064806609.db2.gz HHOXXQBYPMNVQS-ZEQRLZLVSA-N 1 0 497.728 4.995 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3CCCN(c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001360012126 1064808393 /nfs/dbraw/zinc/80/83/93/1064808393.db2.gz MQZAEJBEDJHAMN-QHCPKHFHSA-N 1 0 452.691 4.660 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N(C)Cc2ccco2)C1 ZINC001360012513 1064810069 /nfs/dbraw/zinc/81/00/69/1064810069.db2.gz RLYXXOBIHDEZMO-HXUWFJFHSA-N 1 0 455.578 4.594 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CC3CC3)nnc2N(C)Cc2ccc(Br)cc2)C1 ZINC001360012562 1064810101 /nfs/dbraw/zinc/81/01/01/1064810101.db2.gz SQYUXIRNSQOWOO-OAQYLSRUSA-N 1 0 474.491 4.998 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N2CCSC(C)(C)C2)C1 ZINC001360012672 1064810118 /nfs/dbraw/zinc/81/01/18/1064810118.db2.gz UNUKEUDIAFUFQL-QHCPKHFHSA-N 1 0 455.716 4.763 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)C1 ZINC001360012997 1064810998 /nfs/dbraw/zinc/81/09/98/1064810998.db2.gz ZYRQTJVGGYYNHU-JLLPCOHGSA-N 1 0 489.749 4.816 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(Oc3ccccc3F)c2)CC1 ZINC001360015650 1064813862 /nfs/dbraw/zinc/81/38/62/1064813862.db2.gz YZOAPMNEUCYLPP-UHFFFAOYSA-N 1 0 466.605 4.728 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001360015042 1064813955 /nfs/dbraw/zinc/81/39/55/1064813955.db2.gz MSPARZVHBFBOBT-PXNSSMCTSA-N 1 0 464.427 4.624 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001360017736 1064818355 /nfs/dbraw/zinc/81/83/55/1064818355.db2.gz IUFFRBZMCDHFPP-IRLDBZIGSA-N 1 0 490.490 4.547 20 0 JJADRO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+](C(C)C)C(C)C)[C@H](C)C1=O ZINC001360018234 1064819287 /nfs/dbraw/zinc/81/92/87/1064819287.db2.gz NVRONQJGFYGIJI-LJQANCHMSA-N 1 0 493.071 4.550 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3)n2Cc2sccc2Br)CC1 ZINC001360021243 1064824671 /nfs/dbraw/zinc/82/46/71/1064824671.db2.gz BUOJPRBNGZIXNS-UHFFFAOYSA-N 1 0 460.445 4.595 20 0 JJADRO CC1(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001435556658 1064828994 /nfs/dbraw/zinc/82/89/94/1064828994.db2.gz IAIIKCGOCFGRCY-UHFFFAOYSA-N 1 0 459.565 4.997 20 0 JJADRO CC[C@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1ccc(Br)cc1 ZINC001360027551 1064829378 /nfs/dbraw/zinc/82/93/78/1064829378.db2.gz VSDKNTVRMZYFAF-FQEVSTJZSA-N 1 0 451.449 4.873 20 0 JJADRO Cc1csc2nc(CC(=O)N(CC[NH+]3CCCC3)Cc3ccc(Cl)c(Cl)c3)cn12 ZINC001360028292 1064830002 /nfs/dbraw/zinc/83/00/02/1064830002.db2.gz AQCSVVHLFVTRMN-UHFFFAOYSA-N 1 0 451.423 4.678 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001360028443 1064830418 /nfs/dbraw/zinc/83/04/18/1064830418.db2.gz HZDSUGZMQJWIBZ-UHFFFAOYSA-N 1 0 452.549 4.623 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001360029796 1064830965 /nfs/dbraw/zinc/83/09/65/1064830965.db2.gz AJXLISPTRAYWAD-UHFFFAOYSA-N 1 0 484.689 4.783 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360032774 1064835382 /nfs/dbraw/zinc/83/53/82/1064835382.db2.gz YJBGMKXERYSZLT-OAQYLSRUSA-N 1 0 461.601 4.503 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001360033589 1064836055 /nfs/dbraw/zinc/83/60/55/1064836055.db2.gz DWQIWYQPXDEFDI-DEOSSOPVSA-N 1 0 483.701 4.748 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H]2CCSC2)C1 ZINC001360034966 1064838904 /nfs/dbraw/zinc/83/89/04/1064838904.db2.gz IFLMTGSOGSNCIE-PKTZIBPZSA-N 1 0 471.715 4.541 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001360034636 1064839181 /nfs/dbraw/zinc/83/91/81/1064839181.db2.gz WOGASZKZCMUCEQ-UHFFFAOYSA-N 1 0 487.048 4.622 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC2CCC2)C1 ZINC001360036042 1064843350 /nfs/dbraw/zinc/84/33/50/1064843350.db2.gz RSBOBEAABFFVTR-LJQANCHMSA-N 1 0 466.457 4.845 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)CCc2cccs2)C1 ZINC001360036052 1064843512 /nfs/dbraw/zinc/84/35/12/1064843512.db2.gz RWIFAJCYNUTCNC-OAQYLSRUSA-N 1 0 474.074 4.696 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@H](C)CC[C@@H]2C)C1 ZINC001360036050 1064843535 /nfs/dbraw/zinc/84/35/35/1064843535.db2.gz RVLLQSCIKASABB-MLNNCEHLSA-N 1 0 473.637 4.539 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@@H](C(C)C)C2)C1 ZINC001360036064 1064844145 /nfs/dbraw/zinc/84/41/45/1064844145.db2.gz SBGHPGHWTJRQPT-IRLDBZIGSA-N 1 0 490.490 4.547 20 0 JJADRO COc1ccc(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1OC(F)F ZINC001360037602 1064847227 /nfs/dbraw/zinc/84/72/27/1064847227.db2.gz OEHDDBKUOCLRIR-UHFFFAOYSA-N 1 0 452.929 4.617 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CC3CCCC3)nnc2N(C)[C@@H](C)c2ccccc2F)C1 ZINC001360038203 1064849673 /nfs/dbraw/zinc/84/96/73/1064849673.db2.gz CJWOPINZTPFAPI-RBBKRZOGSA-N 1 0 457.638 4.704 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(CCc3ccccc3)nnc2N(C)Cc2ccc(Cl)s2)C1 ZINC001360038334 1064849774 /nfs/dbraw/zinc/84/97/74/1064849774.db2.gz DNEJDUZJQUNXIH-NRFANRHFSA-N 1 0 488.101 4.771 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)c2cccs2)C1 ZINC001360040905 1064857086 /nfs/dbraw/zinc/85/70/86/1064857086.db2.gz VFLYESMCHOJLLX-QUCCMNQESA-N 1 0 459.685 4.546 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)CSc2ccccc2Cl)ccc1Cl ZINC001435591316 1064857240 /nfs/dbraw/zinc/85/72/40/1064857240.db2.gz CHPJQLLZRCTLCD-UHFFFAOYSA-N 1 0 454.423 4.796 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360041873 1064858403 /nfs/dbraw/zinc/85/84/03/1064858403.db2.gz KQAKIWNXRGSXKC-RUZDIDTESA-N 1 0 496.700 4.760 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360041874 1064858419 /nfs/dbraw/zinc/85/84/19/1064858419.db2.gz KQAKIWNXRGSXKC-VWLOTQADSA-N 1 0 496.700 4.760 20 0 JJADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)nc2)C1 ZINC001435604297 1064868074 /nfs/dbraw/zinc/86/80/74/1064868074.db2.gz FRMOORJYAJGTOV-QFIPXVFZSA-N 1 0 450.970 4.707 20 0 JJADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC001435604335 1064868125 /nfs/dbraw/zinc/86/81/25/1064868125.db2.gz GTNRHAWLQRFKNA-CRAIPNDOSA-N 1 0 456.015 4.543 20 0 JJADRO CC(C)COc1ccc(Cn2c(N3CC[C@H](C[NH+]4CCCCC4)C3)nnc2C(C)(C)C)cc1 ZINC001360050043 1064873796 /nfs/dbraw/zinc/87/37/96/1064873796.db2.gz HDOJUTTXVUSGLH-HSZRJFAPSA-N 1 0 453.675 4.971 20 0 JJADRO CC(C)COc1ccc(Cn2c(CC3CC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001360050253 1064874425 /nfs/dbraw/zinc/87/44/25/1064874425.db2.gz NBCLUABPWMXCNH-UHFFFAOYSA-N 1 0 453.675 4.872 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001360056453 1064887689 /nfs/dbraw/zinc/88/76/89/1064887689.db2.gz CQLGQPUOBTWBRX-QFBILLFUSA-N 1 0 466.457 4.986 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001360056669 1064888542 /nfs/dbraw/zinc/88/85/42/1064888542.db2.gz FAKPKSMQEIHPBC-SXWKCWPCSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001360058771 1064896235 /nfs/dbraw/zinc/89/62/35/1064896235.db2.gz VRFPTUXFBJRECY-NZQKXSOJSA-N 1 0 474.049 4.585 20 0 JJADRO CCc1nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)sc1C(=O)OC ZINC001435637005 1064898089 /nfs/dbraw/zinc/89/80/89/1064898089.db2.gz XXUPROIUHZZMOH-LEWJYISDSA-N 1 0 463.603 4.655 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001360061838 1064901739 /nfs/dbraw/zinc/90/17/39/1064901739.db2.gz CWKCKEZMSOVCSC-AUSIDOKSSA-N 1 0 475.628 4.519 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001360063896 1064904596 /nfs/dbraw/zinc/90/45/96/1064904596.db2.gz SVCSWJCBVMPGBV-OAQYLSRUSA-N 1 0 475.628 4.663 20 0 JJADRO Cc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2OCC(F)F)CC1 ZINC001492596940 1064922278 /nfs/dbraw/zinc/92/22/78/1064922278.db2.gz YUISUJZOXYPSRZ-UHFFFAOYSA-N 1 0 498.622 4.585 20 0 JJADRO CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)c1 ZINC001435672326 1064925299 /nfs/dbraw/zinc/92/52/99/1064925299.db2.gz FMQUFLFWKAOEAZ-QHCPKHFHSA-N 1 0 458.624 4.512 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001435675413 1064927732 /nfs/dbraw/zinc/92/77/32/1064927732.db2.gz VSQSUSANQBTIAQ-BJKOFHAPSA-N 1 0 457.659 4.832 20 0 JJADRO CC(C)CSCCn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001360083020 1064943918 /nfs/dbraw/zinc/94/39/18/1064943918.db2.gz TXHZXTJKOHPFTM-LADGPHEKSA-N 1 0 481.714 4.587 20 0 JJADRO CC(C)CSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360083003 1064944012 /nfs/dbraw/zinc/94/40/12/1064944012.db2.gz SYDORVMSSJETES-FCHUYYIVSA-N 1 0 458.720 4.764 20 0 JJADRO C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435699439 1064945769 /nfs/dbraw/zinc/94/57/69/1064945769.db2.gz BJEHUPKIEBBXMT-OYDLWJJNSA-N 1 0 457.659 4.877 20 0 JJADRO CC[NH+](CC)CCN(C(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1cccc(C(F)(F)F)c1 ZINC001435701468 1064946967 /nfs/dbraw/zinc/94/69/67/1064946967.db2.gz QLDOESZRRSFVBR-OAQYLSRUSA-N 1 0 451.464 4.713 20 0 JJADRO COc1ccc(Br)cc1C1(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001435707788 1064949722 /nfs/dbraw/zinc/94/97/22/1064949722.db2.gz WFAQKACLBDGYTO-IEBWSBKVSA-N 1 0 457.412 4.516 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3cc(Br)ccc3Cl)cc2)CC1 ZINC001435726577 1064958947 /nfs/dbraw/zinc/95/89/47/1064958947.db2.gz PTZANFMAWVYFCZ-UHFFFAOYSA-N 1 0 450.808 4.814 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360092334 1064960848 /nfs/dbraw/zinc/96/08/48/1064960848.db2.gz BFLVADUTYXWFAB-SANMLTNESA-N 1 0 490.696 4.936 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOC(C)(C)C)CC1 ZINC001360092435 1064961470 /nfs/dbraw/zinc/96/14/70/1064961470.db2.gz GABXNMTZFOGWNG-UHFFFAOYSA-N 1 0 479.616 4.918 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1C(C)(C)C ZINC001360092579 1064962364 /nfs/dbraw/zinc/96/23/64/1064962364.db2.gz KQNLCRHYCMUPCU-DEOSSOPVSA-N 1 0 453.675 4.717 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001360094605 1064965761 /nfs/dbraw/zinc/96/57/61/1064965761.db2.gz GGWSIOCKWUSMFH-UHFFFAOYSA-N 1 0 498.663 4.652 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCSCc2ccccc2F)CC1 ZINC001360094541 1064966030 /nfs/dbraw/zinc/96/60/30/1064966030.db2.gz CZONRBNWQKGQME-JOCHJYFZSA-N 1 0 489.705 4.801 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCC(F)(F)CC2)CC1 ZINC001360094607 1064966126 /nfs/dbraw/zinc/96/61/26/1064966126.db2.gz GKSNJZXSDDJGMM-NRFANRHFSA-N 1 0 453.622 4.902 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001360094775 1064966798 /nfs/dbraw/zinc/96/67/98/1064966798.db2.gz LPFFKHUVJUSREA-UHFFFAOYSA-N 1 0 472.559 4.964 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(F)c(Cl)c2)CC1 ZINC001360095081 1064968660 /nfs/dbraw/zinc/96/86/60/1064968660.db2.gz WKDOXSCBYMGEBP-UHFFFAOYSA-N 1 0 489.039 4.712 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001360095636 1064970099 /nfs/dbraw/zinc/97/00/99/1064970099.db2.gz MGXHFZOWOCQSTD-GDLZYMKVSA-N 1 0 481.729 4.951 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CCc2ccsc2)CC1 ZINC001360095833 1064970665 /nfs/dbraw/zinc/97/06/65/1064970665.db2.gz QIOJRZCIHOIVLJ-UHFFFAOYSA-N 1 0 455.647 4.869 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2ccccn2)CC1 ZINC001360096071 1064971741 /nfs/dbraw/zinc/97/17/41/1064971741.db2.gz WEHREZYXQCESSA-UHFFFAOYSA-N 1 0 452.691 4.940 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CC1 ZINC001360097232 1064973178 /nfs/dbraw/zinc/97/31/78/1064973178.db2.gz AIKHGNXKMGPBGN-UHFFFAOYSA-N 1 0 454.844 4.938 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001360097313 1064973933 /nfs/dbraw/zinc/97/39/33/1064973933.db2.gz COHWZXDTSZNIQR-SFTDATJTSA-N 1 0 494.453 4.725 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001360097317 1064974058 /nfs/dbraw/zinc/97/40/58/1064974058.db2.gz CQPYACRQMBKRFC-IBGZPJMESA-N 1 0 479.025 4.502 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001360097571 1064975638 /nfs/dbraw/zinc/97/56/38/1064975638.db2.gz LVBMPGPCSSCPQH-QGZVFWFLSA-N 1 0 476.456 4.710 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(F)(F)F ZINC001360097632 1064975811 /nfs/dbraw/zinc/97/58/11/1064975811.db2.gz OFFXFUVIWYEVOW-UHFFFAOYSA-N 1 0 466.321 4.576 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001360099818 1064978826 /nfs/dbraw/zinc/97/88/26/1064978826.db2.gz QGLIKYLTRCLLQM-NRFANRHFSA-N 1 0 453.345 4.792 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccco1 ZINC001360100449 1064980089 /nfs/dbraw/zinc/98/00/89/1064980089.db2.gz MUODJUBLXLTQJF-NHCUHLMSSA-N 1 0 488.677 4.913 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CCC2)C1 ZINC001360100312 1064980267 /nfs/dbraw/zinc/98/02/67/1064980267.db2.gz KCDNZAXFIGRQJO-UHFFFAOYSA-N 1 0 474.694 4.503 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001360101030 1064980786 /nfs/dbraw/zinc/98/07/86/1064980786.db2.gz CIKGAEAZBDOSLG-UHFFFAOYSA-N 1 0 473.090 4.641 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001360103520 1064983270 /nfs/dbraw/zinc/98/32/70/1064983270.db2.gz OJKACDMMXMBNNP-NRFANRHFSA-N 1 0 488.671 4.903 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CCOc2ccccc2)nnc1N1CCCc2sccc2C1 ZINC001360103611 1064983976 /nfs/dbraw/zinc/98/39/76/1064983976.db2.gz RIICJLWTKSXOQD-UHFFFAOYSA-N 1 0 453.656 4.644 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001360104207 1064984862 /nfs/dbraw/zinc/98/48/62/1064984862.db2.gz MTIMURJLBRSJSS-UHFFFAOYSA-N 1 0 496.425 4.950 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001360104131 1064985098 /nfs/dbraw/zinc/98/50/98/1064985098.db2.gz KOWWGRQSOXWQTQ-NRFANRHFSA-N 1 0 494.453 4.582 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1cccs1 ZINC001360104856 1064986811 /nfs/dbraw/zinc/98/68/11/1064986811.db2.gz YZWVRSSIYVWPCB-QGZVFWFLSA-N 1 0 477.476 4.789 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001360106660 1064988133 /nfs/dbraw/zinc/98/81/33/1064988133.db2.gz MFGIGTYVWQYXMI-QGZVFWFLSA-N 1 0 458.404 4.635 20 0 JJADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001435779233 1064988370 /nfs/dbraw/zinc/98/83/70/1064988370.db2.gz UCINTTSRSDOFCY-UHFFFAOYSA-N 1 0 451.611 4.620 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360106712 1064988958 /nfs/dbraw/zinc/98/89/58/1064988958.db2.gz NXYRFWPSKACSIR-UHFFFAOYSA-N 1 0 473.246 4.947 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cccn2C)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001360107127 1064989454 /nfs/dbraw/zinc/98/94/54/1064989454.db2.gz DFNVBAQUCKBQPZ-UHFFFAOYSA-N 1 0 493.656 4.534 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1cccs1 ZINC001360111148 1064992335 /nfs/dbraw/zinc/99/23/35/1064992335.db2.gz ZSBPSTRCBNGBBL-WOJBJXKFSA-N 1 0 490.718 4.992 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1cccs1 ZINC001360111146 1064992449 /nfs/dbraw/zinc/99/24/49/1064992449.db2.gz ZSBPSTRCBNGBBL-UXHICEINSA-N 1 0 490.718 4.992 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCC(c2ccsc2)CC1 ZINC001360113280 1064994898 /nfs/dbraw/zinc/99/48/98/1064994898.db2.gz VNERTCIWULYNLK-UHFFFAOYSA-N 1 0 457.619 4.782 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001360113009 1064994989 /nfs/dbraw/zinc/99/49/89/1064994989.db2.gz QFECNOBHJOQSBH-FPOVZHCZSA-N 1 0 482.456 4.652 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ccsc2)CC1 ZINC001360113783 1064996296 /nfs/dbraw/zinc/99/62/96/1064996296.db2.gz NVZPTTHFUBZKQB-FGZHOGPDSA-N 1 0 459.704 4.982 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc(Cc2cccnc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360118640 1065005080 /nfs/dbraw/zinc/00/50/80/1065005080.db2.gz MSBUEPRWQMKFEE-XMMPIXPASA-N 1 0 464.633 4.938 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(COc2ccc(F)cc2)n1CC[NH+]1CCCCCC1 ZINC001360121487 1065010416 /nfs/dbraw/zinc/01/04/16/1065010416.db2.gz WGKHICJCSCZYOV-UHFFFAOYSA-N 1 0 455.578 4.880 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360122759 1065012390 /nfs/dbraw/zinc/01/23/90/1065012390.db2.gz RCXDMCQQZZHZBD-QHCPKHFHSA-N 1 0 459.660 4.998 20 0 JJADRO CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1cccc(F)c1)C(C)C ZINC001360123007 1065013378 /nfs/dbraw/zinc/01/33/78/1065013378.db2.gz BDKODPJGNKMVPQ-QHCPKHFHSA-N 1 0 470.637 4.504 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC1COC(C)(C)OC1)C(C)C ZINC001360123029 1065013427 /nfs/dbraw/zinc/01/34/27/1065013427.db2.gz BNJFPWPEVFOAMI-UHFFFAOYSA-N 1 0 494.684 4.838 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C ZINC001360124154 1065016300 /nfs/dbraw/zinc/01/63/00/1065016300.db2.gz WKIIHQBPJKAIPA-XMMPIXPASA-N 1 0 493.483 4.620 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)C(C)C ZINC001360125501 1065018293 /nfs/dbraw/zinc/01/82/93/1065018293.db2.gz MDLOZTXYEURALD-UHFFFAOYSA-N 1 0 479.595 4.816 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CCc2cc(F)cc(F)c2C1)C(C)C ZINC001360125757 1065018734 /nfs/dbraw/zinc/01/87/34/1065018734.db2.gz VBRYPPZBLPDUAE-UHFFFAOYSA-N 1 0 454.569 4.690 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)C(C)C ZINC001360125803 1065018809 /nfs/dbraw/zinc/01/88/09/1065018809.db2.gz WDZKXICWHCLGHK-BJKOFHAPSA-N 1 0 491.627 4.885 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1)C(C)C ZINC001360126222 1065019696 /nfs/dbraw/zinc/01/96/96/1065019696.db2.gz KXFJXNHVSOCSBX-VDKIKQQVSA-N 1 0 499.748 4.823 20 0 JJADRO CC(C)[NH+](CCCn1c(CC2CCCC2)nnc1N1CCC(N2CCCCC2=O)CC1)C(C)C ZINC001360126315 1065019825 /nfs/dbraw/zinc/01/98/25/1065019825.db2.gz NGLATMKWNXBAMA-UHFFFAOYSA-N 1 0 472.722 4.501 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1)C(C)C ZINC001360126221 1065019842 /nfs/dbraw/zinc/01/98/42/1065019842.db2.gz KXFJXNHVSOCSBX-JBRSBNLGSA-N 1 0 499.748 4.823 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)OC1CCCC1)C(C)C ZINC001360126449 1065020238 /nfs/dbraw/zinc/02/02/38/1065020238.db2.gz RDTBCLLMMGYCEU-QHCPKHFHSA-N 1 0 457.619 4.610 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccccc2F)nnc1N1CCC([C@H]2CCCO2)CC1)C(C)C ZINC001360126462 1065020307 /nfs/dbraw/zinc/02/03/07/1065020307.db2.gz RIXXPAAFXVATMI-RUZDIDTESA-N 1 0 471.665 4.912 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)C(C)C ZINC001360128103 1065021526 /nfs/dbraw/zinc/02/15/26/1065021526.db2.gz ABJSBJABPYNMHS-PKTZIBPZSA-N 1 0 476.065 4.870 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1)C(C)C ZINC001360128272 1065022170 /nfs/dbraw/zinc/02/21/70/1065022170.db2.gz CMRLHHCGBLCEDC-XMMPIXPASA-N 1 0 461.658 4.564 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2Cl)nnc1N1CCC(c2cnn(C)c2)CC1)C(C)C ZINC001360128480 1065022601 /nfs/dbraw/zinc/02/26/01/1065022601.db2.gz JSBTUAGVTWULHF-UHFFFAOYSA-N 1 0 470.065 4.835 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2CCC[C@@H]21)C(C)C ZINC001360129023 1065024143 /nfs/dbraw/zinc/02/41/43/1065024143.db2.gz QUWXJPHNIYRULU-PXNSSMCTSA-N 1 0 463.468 4.923 20 0 JJADRO CCCN(C(=O)c1nc(C(C)C)ncc1Br)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360129098 1065024197 /nfs/dbraw/zinc/02/41/97/1065024197.db2.gz FLFYCTXXNXMBPJ-LJQANCHMSA-N 1 0 459.432 4.879 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCC(OCc2ccccc2F)CC1)C(C)C ZINC001360129335 1065024690 /nfs/dbraw/zinc/02/46/90/1065024690.db2.gz PMYWUUQNCWHFSE-UHFFFAOYSA-N 1 0 480.632 4.784 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C(C)C ZINC001360129793 1065025673 /nfs/dbraw/zinc/02/56/73/1065025673.db2.gz VMCKJFGVPHDSEJ-HSZRJFAPSA-N 1 0 487.023 4.829 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1)C(C)C ZINC001360129762 1065025771 /nfs/dbraw/zinc/02/57/71/1065025771.db2.gz ZUEAJAGBODRYJV-XMMPIXPASA-N 1 0 480.701 4.563 20 0 JJADRO Cc1cc(Br)c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC001435854293 1065026054 /nfs/dbraw/zinc/02/60/54/1065026054.db2.gz ZRJFMXVOAHRHCW-ZIAGYGMSSA-N 1 0 458.238 4.903 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1)C(C)C ZINC001360131515 1065026785 /nfs/dbraw/zinc/02/67/85/1065026785.db2.gz ASRALJUKPNXRPE-NZQKXSOJSA-N 1 0 476.065 4.522 20 0 JJADRO CC(C)([C@H](NC(=O)c1ccc(OC2CCOCC2)cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001435855721 1065027043 /nfs/dbraw/zinc/02/70/43/1065027043.db2.gz NSKLMIZNVDYUPL-XMMPIXPASA-N 1 0 458.549 4.868 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C(C)C ZINC001360132250 1065027140 /nfs/dbraw/zinc/02/71/40/1065027140.db2.gz HFMQWJODRZAXKU-OAQYLSRUSA-N 1 0 462.683 4.500 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCSC2)C1)C(C)C ZINC001360133281 1065028161 /nfs/dbraw/zinc/02/81/61/1065028161.db2.gz QTVXSSXPDXHXDF-XMMPIXPASA-N 1 0 462.107 4.975 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C ZINC001360133227 1065028187 /nfs/dbraw/zinc/02/81/87/1065028187.db2.gz PZLIGLJMBHSXSB-INIZCTEOSA-N 1 0 485.517 4.960 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2cccs2)CC1)C(C)C ZINC001360133075 1065028324 /nfs/dbraw/zinc/02/83/24/1065028324.db2.gz NOQNXJKOBDXLPC-OAQYLSRUSA-N 1 0 473.687 4.799 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCC1)C(C)C ZINC001360133246 1065028391 /nfs/dbraw/zinc/02/83/91/1065028391.db2.gz QFGPHDQRPRTVKH-QFIPXVFZSA-N 1 0 476.710 4.748 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(F)(F)F)CC1)C(C)C ZINC001360133448 1065028777 /nfs/dbraw/zinc/02/87/77/1065028777.db2.gz RZNBLISWYNCOKE-OAQYLSRUSA-N 1 0 481.563 4.688 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC001360133628 1065029130 /nfs/dbraw/zinc/02/91/30/1065029130.db2.gz WHUAJAFWTMVGAB-LJQANCHMSA-N 1 0 455.544 4.906 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001360133726 1065029156 /nfs/dbraw/zinc/02/91/56/1065029156.db2.gz YZLGKWNAXOVOMA-HSZRJFAPSA-N 1 0 485.648 4.529 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001360133685 1065029275 /nfs/dbraw/zinc/02/92/75/1065029275.db2.gz XVTBKOPTFZMNPW-OAQYLSRUSA-N 1 0 462.683 4.548 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)C(C)C ZINC001360134673 1065030697 /nfs/dbraw/zinc/03/06/97/1065030697.db2.gz MRKOOPIOGQBHFL-UHFFFAOYSA-N 1 0 498.622 4.709 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001360136133 1065032038 /nfs/dbraw/zinc/03/20/38/1065032038.db2.gz BGZSAXVSQBUPLG-UHFFFAOYSA-N 1 0 476.669 4.509 20 0 JJADRO CC(C)[NH+](CCn1c(N(C)Cc2cc3c(cc2OC(F)F)OCO3)nnc1C(C)(C)C)C(C)C ZINC001360135523 1065032052 /nfs/dbraw/zinc/03/20/52/1065032052.db2.gz YDUKHRGQHUSLFI-UHFFFAOYSA-N 1 0 481.588 4.661 20 0 JJADRO COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c(OCCC(C)C)c1 ZINC001435864916 1065032483 /nfs/dbraw/zinc/03/24/83/1065032483.db2.gz HFMANNVQIJBEMC-LOSJGSFVSA-N 1 0 459.675 4.529 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(C(C)(F)F)cc3)CC2)CC1 ZINC001360136311 1065032730 /nfs/dbraw/zinc/03/27/30/1065032730.db2.gz DKLNOUXUZCPQDM-UHFFFAOYSA-N 1 0 488.671 4.730 20 0 JJADRO Cc1ccc(-c2ncc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CCN(C)CC3)s2)c(C)c1 ZINC001435864878 1065032682 /nfs/dbraw/zinc/03/26/82/1065032682.db2.gz GWPITCHMPOMTIS-XZOQPEGZSA-N 1 0 454.684 4.836 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001360137768 1065033571 /nfs/dbraw/zinc/03/35/71/1065033571.db2.gz XPDBBTLSSGSKSI-UHFFFAOYSA-N 1 0 498.499 4.739 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001360137617 1065033615 /nfs/dbraw/zinc/03/36/15/1065033615.db2.gz ZIEYSIDVNCUENT-SFHVURJKSA-N 1 0 463.617 4.578 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001360137746 1065033625 /nfs/dbraw/zinc/03/36/25/1065033625.db2.gz WSRSGBABXVDYMZ-FQEVSTJZSA-N 1 0 458.050 4.626 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001360138185 1065034322 /nfs/dbraw/zinc/03/43/22/1065034322.db2.gz BSCFYYMCQVHLMJ-GGAORHGYSA-N 1 0 482.673 4.559 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccsc2)C1 ZINC001360138100 1065034342 /nfs/dbraw/zinc/03/43/42/1065034342.db2.gz ARMUQOJHZHTRPL-KRWDZBQOSA-N 1 0 491.503 4.864 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360138825 1065035008 /nfs/dbraw/zinc/03/50/08/1065035008.db2.gz KHBDBKVGZWEVAS-IXDOHACOSA-N 1 0 482.492 4.503 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC2)C1 ZINC001360138945 1065035432 /nfs/dbraw/zinc/03/54/32/1065035432.db2.gz LYLTZYAJLRPUBA-INIZCTEOSA-N 1 0 464.427 4.956 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001360139874 1065036839 /nfs/dbraw/zinc/03/68/39/1065036839.db2.gz VSLYMTIYCNEIBN-LJQANCHMSA-N 1 0 456.997 4.889 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360140456 1065037719 /nfs/dbraw/zinc/03/77/19/1065037719.db2.gz DONHWWDRGZEZMA-RTWAWAEBSA-N 1 0 450.606 4.721 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC001360140645 1065038198 /nfs/dbraw/zinc/03/81/98/1065038198.db2.gz HZIYHPQUBYZJPA-SULRNWAHSA-N 1 0 499.750 4.986 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](COc3ccccc3)C2)C1 ZINC001360141369 1065039639 /nfs/dbraw/zinc/03/96/39/1065039639.db2.gz ONWOWJMCEOTHTP-XZOQPEGZSA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H](COc3ccccc3)C2)C1 ZINC001360141368 1065039863 /nfs/dbraw/zinc/03/98/63/1065039863.db2.gz ONWOWJMCEOTHTP-PKTZIBPZSA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2ccccc2F)C1 ZINC001360141608 1065040344 /nfs/dbraw/zinc/04/03/44/1065040344.db2.gz QRQXDWKJFBGEFR-NRFANRHFSA-N 1 0 455.647 4.869 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)C1 ZINC001360141913 1065040799 /nfs/dbraw/zinc/04/07/99/1065040799.db2.gz STZZKTHOXIKTNV-FPOVZHCZSA-N 1 0 468.596 4.860 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001360141733 1065040970 /nfs/dbraw/zinc/04/09/70/1065040970.db2.gz RRLBSJIEIFIBAT-FYYLOGMGSA-N 1 0 469.674 4.500 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360142149 1065041523 /nfs/dbraw/zinc/04/15/23/1065041523.db2.gz UKLVHZKHSMCXTJ-FCHUYYIVSA-N 1 0 459.704 4.835 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CC(F)(F)C2)CC1 ZINC001360143434 1065043920 /nfs/dbraw/zinc/04/39/20/1065043920.db2.gz GRFMWHIEZCGDPI-UHFFFAOYSA-N 1 0 455.500 4.512 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCOC2)CC1 ZINC001360143310 1065044082 /nfs/dbraw/zinc/04/40/82/1065044082.db2.gz DRNRWDDZEVKYCA-KRWDZBQOSA-N 1 0 452.430 4.599 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360143604 1065044714 /nfs/dbraw/zinc/04/47/14/1065044714.db2.gz JNJDHODOXKUWFX-UAPYVXQJSA-N 1 0 451.537 4.605 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCc2nccs2)CC1 ZINC001360143652 1065044736 /nfs/dbraw/zinc/04/47/36/1065044736.db2.gz KNRSFFHRNMFREO-UHFFFAOYSA-N 1 0 476.597 4.556 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCCCC2)CC1 ZINC001360144111 1065045415 /nfs/dbraw/zinc/04/54/15/1065045415.db2.gz VBFSCHHUKPVDLV-UHFFFAOYSA-N 1 0 493.494 4.696 20 0 JJADRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)c2c(CC(C)(C)C)noc2n1 ZINC001435888246 1065045371 /nfs/dbraw/zinc/04/53/71/1065045371.db2.gz FLZSULOSFYPHJR-UHFFFAOYSA-N 1 0 452.599 4.586 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001360144594 1065046870 /nfs/dbraw/zinc/04/68/70/1065046870.db2.gz OZXLRSIFFZEFBF-UHFFFAOYSA-N 1 0 452.672 4.862 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001360145923 1065047940 /nfs/dbraw/zinc/04/79/40/1065047940.db2.gz BORBDQDHJBVRGA-UHFFFAOYSA-N 1 0 488.105 4.640 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCC2)CC1 ZINC001360146210 1065048015 /nfs/dbraw/zinc/04/80/15/1065048015.db2.gz GNJWSCQOIJAWPC-PKTZIBPZSA-N 1 0 486.705 4.669 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(C3CCCC3)n2Cc2ccccc2OCC(F)(F)F)CC1 ZINC001360146354 1065048606 /nfs/dbraw/zinc/04/86/06/1065048606.db2.gz JNBPGPJMWOKRFT-UHFFFAOYSA-N 1 0 465.564 4.846 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(F)CCC2)CC1 ZINC001360146919 1065048721 /nfs/dbraw/zinc/04/87/21/1065048721.db2.gz ADYVXYVJNAZRKN-UHFFFAOYSA-N 1 0 450.002 4.713 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360146295 1065048752 /nfs/dbraw/zinc/04/87/52/1065048752.db2.gz IGOOMJCXSCLEAK-QHCPKHFHSA-N 1 0 490.549 4.806 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360146409 1065048781 /nfs/dbraw/zinc/04/87/81/1065048781.db2.gz LENBQBDSNBKPTB-UHFFFAOYSA-N 1 0 471.665 4.912 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CC(C)(C)C2)CC1 ZINC001360146399 1065048810 /nfs/dbraw/zinc/04/88/10/1065048810.db2.gz KXZJUHGEXGZJST-UHFFFAOYSA-N 1 0 488.721 4.749 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001545893975 1065048888 /nfs/dbraw/zinc/04/88/88/1065048888.db2.gz LTTJTIYUNRVJGR-RTBURBONSA-N 1 0 486.627 4.630 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(F)cccc2Cl)CC1 ZINC001360147277 1065049576 /nfs/dbraw/zinc/04/95/76/1065049576.db2.gz OTMULPWTOQVTHU-XMSQKQJNSA-N 1 0 478.056 4.958 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC001360147104 1065049662 /nfs/dbraw/zinc/04/96/62/1065049662.db2.gz HTUMHSYQCMFHDI-UHFFFAOYSA-N 1 0 490.696 4.995 20 0 JJADRO Cc1cc(C)c(CC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c(C)c1Br ZINC001360148463 1065051105 /nfs/dbraw/zinc/05/11/05/1065051105.db2.gz WLWFQDRGVKOSNA-UHFFFAOYSA-N 1 0 453.490 4.785 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC(F)(F)F)CC1 ZINC001360149275 1065052170 /nfs/dbraw/zinc/05/21/70/1065052170.db2.gz IOIBRKNPUPZPME-UHFFFAOYSA-N 1 0 466.335 4.709 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2sc3ccc(Br)cc3c2C)[C@@H](C)C1 ZINC001360151121 1065054932 /nfs/dbraw/zinc/05/49/32/1065054932.db2.gz RXGGDJBFDXGFBY-KBXCAEBGSA-N 1 0 453.446 4.839 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001360153135 1065056237 /nfs/dbraw/zinc/05/62/37/1065056237.db2.gz HGYXLOFXWFDBAC-UHFFFAOYSA-N 1 0 463.592 4.962 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001360153562 1065056406 /nfs/dbraw/zinc/05/64/06/1065056406.db2.gz ZJXYXQUUCPEXTM-NFBKMPQASA-N 1 0 487.664 4.756 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)CCCS2)CC1 ZINC001360153028 1065056448 /nfs/dbraw/zinc/05/64/48/1065056448.db2.gz BZJPBSYETMIUIU-AREMUKBSSA-N 1 0 471.715 4.971 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(C(C)(C)C)n3[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC001360156171 1065057929 /nfs/dbraw/zinc/05/79/29/1065057929.db2.gz SSLJGLLPKPCANQ-PZJWPPBQSA-N 1 0 484.655 4.864 20 0 JJADRO CC(C)n1nc(-c2nnc(N(C)CC(C)(C)C)n2CCC[NH+]2CCCCC2)c2ccccc2c1=O ZINC001360156492 1065058156 /nfs/dbraw/zinc/05/81/56/1065058156.db2.gz BXWHQGMWMKVHHL-UHFFFAOYSA-N 1 0 479.673 4.594 20 0 JJADRO CSc1cccc(N(C(=O)CSCC(=O)Nc2ccc(C)cc2)C2CC[NH+](C)CC2)c1 ZINC001360191912 1065075763 /nfs/dbraw/zinc/07/57/63/1065075763.db2.gz LIXYKXGBJQAVAM-UHFFFAOYSA-N 1 0 457.665 4.516 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001360195618 1065076655 /nfs/dbraw/zinc/07/66/55/1065076655.db2.gz WETCTAVHPMARBW-XMMPIXPASA-N 1 0 480.701 4.591 20 0 JJADRO C[NH+](C)CCc1ccccc1NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001435949556 1065077577 /nfs/dbraw/zinc/07/75/77/1065077577.db2.gz SQZWOBONDHFGEY-UHFFFAOYSA-N 1 0 450.892 4.960 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001360199716 1065078209 /nfs/dbraw/zinc/07/82/09/1065078209.db2.gz JZLCGMDLVOCHMT-RBKXMNCYSA-N 1 0 466.674 4.514 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CCCC1(C)C ZINC001360203478 1065079222 /nfs/dbraw/zinc/07/92/22/1065079222.db2.gz GTMWGGFYMVHZEB-FYYLOGMGSA-N 1 0 472.722 4.724 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CCCC1CCCC1 ZINC001360203940 1065079744 /nfs/dbraw/zinc/07/97/44/1065079744.db2.gz VURZTEGBHPSODX-QFIPXVFZSA-N 1 0 472.722 4.868 20 0 JJADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(C4SCCS4)cc3)cc2)CC1 ZINC001360217084 1065085293 /nfs/dbraw/zinc/08/52/93/1065085293.db2.gz USRXGAQYOSJDDJ-UHFFFAOYSA-N 1 0 456.637 4.633 20 0 JJADRO C[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001360233706 1065093242 /nfs/dbraw/zinc/09/32/42/1065093242.db2.gz OXQYDBMMAPBPPF-SFHVURJKSA-N 1 0 453.583 4.709 20 0 JJADRO CC(C)c1nc(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)nn1-c1ccccc1Cl ZINC001435993649 1065098266 /nfs/dbraw/zinc/09/82/66/1065098266.db2.gz CTONNTDNLWDZDM-NRFANRHFSA-N 1 0 454.018 4.931 20 0 JJADRO CC(C)c1nc(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)nn1-c1ccccc1Cl ZINC001435993657 1065098360 /nfs/dbraw/zinc/09/83/60/1065098360.db2.gz CTONNTDNLWDZDM-OAQYLSRUSA-N 1 0 454.018 4.931 20 0 JJADRO Cc1ccc(CC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1Br ZINC001360257674 1065103651 /nfs/dbraw/zinc/10/36/51/1065103651.db2.gz WQXFGDOHCKDQBY-UHFFFAOYSA-N 1 0 458.400 4.753 20 0 JJADRO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001436013867 1065112177 /nfs/dbraw/zinc/11/21/77/1065112177.db2.gz ALQNPXWWRBOHRL-FQEVSTJZSA-N 1 0 451.592 4.932 20 0 JJADRO CSc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1-c1ccc(F)cc1 ZINC001436015104 1065113684 /nfs/dbraw/zinc/11/36/84/1065113684.db2.gz LKCYJTYGCOAOCQ-JOCHJYFZSA-N 1 0 452.599 4.764 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCCCNC(=O)OCc1ccccc1 ZINC001436018316 1065116643 /nfs/dbraw/zinc/11/66/43/1065116643.db2.gz WOSSGDHVFBZLAL-DEOSSOPVSA-N 1 0 451.611 4.500 20 0 JJADRO C[C@@H](CNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)[N@H+](C)Cc1ccccc1 ZINC001360281901 1065122970 /nfs/dbraw/zinc/12/29/70/1065122970.db2.gz MTOQVVSBRLUCEK-FQEVSTJZSA-N 1 0 455.558 4.864 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360304888 1065138529 /nfs/dbraw/zinc/13/85/29/1065138529.db2.gz FWJGCNCFKOVBKM-GOSISDBHSA-N 1 0 491.080 4.821 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOc2ccc(F)cc2)CC1 ZINC001360304862 1065138563 /nfs/dbraw/zinc/13/85/63/1065138563.db2.gz FISAXVWUCGUWCB-UHFFFAOYSA-N 1 0 472.996 4.569 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(C)CCCS2)CC1 ZINC001360304740 1065138607 /nfs/dbraw/zinc/13/86/07/1065138607.db2.gz DEMPTLXPQUNVBK-JOCHJYFZSA-N 1 0 478.504 4.960 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360305079 1065139269 /nfs/dbraw/zinc/13/92/69/1065139269.db2.gz ILABDJLWOKDUSA-REPLKXPHSA-N 1 0 477.600 4.717 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CC(F)(F)C2)CC1 ZINC001360305088 1065139424 /nfs/dbraw/zinc/13/94/24/1065139424.db2.gz IRNAYCXPKGRDSN-MRXNPFEDSA-N 1 0 451.537 4.569 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CCCC2)CC1 ZINC001360305375 1065139891 /nfs/dbraw/zinc/13/98/91/1065139891.db2.gz OBZBXABFMUHFMA-UHFFFAOYSA-N 1 0 452.430 4.524 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001360305376 1065139921 /nfs/dbraw/zinc/13/99/21/1065139921.db2.gz OCMBBEZZCPYGSH-HNNXBMFYSA-N 1 0 485.421 4.828 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CC2(C)C)CC1 ZINC001360305628 1065140669 /nfs/dbraw/zinc/14/06/69/1065140669.db2.gz YBFHYIGZFIPSAP-HNNXBMFYSA-N 1 0 464.427 4.860 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001360307506 1065143129 /nfs/dbraw/zinc/14/31/29/1065143129.db2.gz XWGYCGCAMBAEQP-CVDCTZTESA-N 1 0 457.638 4.892 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001360308458 1065143977 /nfs/dbraw/zinc/14/39/77/1065143977.db2.gz HORBJPTUWCOWTB-UHFFFAOYSA-N 1 0 467.580 4.975 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001360309161 1065144563 /nfs/dbraw/zinc/14/45/63/1065144563.db2.gz SDGOQFRIWHOVTH-IRLDBZIGSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001360309991 1065146331 /nfs/dbraw/zinc/14/63/31/1065146331.db2.gz UVFFTOXCDCGMNZ-DENIHFKCSA-N 1 0 488.746 4.966 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@H](c2cccs2)[NH+](C)C)CCOC1 ZINC001360319301 1065153445 /nfs/dbraw/zinc/15/34/45/1065153445.db2.gz GHRLWRFAHZBUEJ-XLNZFTOWSA-N 1 0 489.711 4.942 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3ccccc3F)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001360319758 1065154129 /nfs/dbraw/zinc/15/41/29/1065154129.db2.gz MNVYEBIMZJUEKQ-IDISGSTGSA-N 1 0 487.664 4.920 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320412 1065157385 /nfs/dbraw/zinc/15/73/85/1065157385.db2.gz XLDIIWSBWYEQPV-WXVAWEFUSA-N 1 0 469.674 4.638 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001360324301 1065162881 /nfs/dbraw/zinc/16/28/81/1065162881.db2.gz NKAHHGMIOCAUHT-CYFREDJKSA-N 1 0 496.121 4.790 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)CC3CCCCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001360325793 1065167986 /nfs/dbraw/zinc/16/79/86/1065167986.db2.gz MGOHTVKYVCZREX-SHQCIBLASA-N 1 0 487.664 4.777 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)CC3CCCCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001360325794 1065168020 /nfs/dbraw/zinc/16/80/20/1065168020.db2.gz MGOHTVKYVCZREX-SQHAQQRYSA-N 1 0 487.664 4.777 20 0 JJADRO C[C@]1(CNC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@H+](Cc2ccccc2)C1 ZINC001436095022 1065176482 /nfs/dbraw/zinc/17/64/82/1065176482.db2.gz HBEVOJWFBLIUBS-HSZRJFAPSA-N 1 0 454.368 4.746 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC(C(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCOC1 ZINC001360336114 1065184157 /nfs/dbraw/zinc/18/41/57/1065184157.db2.gz NJCKCPOCFIQKQF-YIXXDRMTSA-N 1 0 475.722 4.846 20 0 JJADRO CCSc1ccc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Br)c1 ZINC001436117519 1065191086 /nfs/dbraw/zinc/19/10/86/1065191086.db2.gz BEVBVCPJCKQWAS-BGYRXZFFSA-N 1 0 459.453 4.694 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CCOC1 ZINC001360345755 1065195051 /nfs/dbraw/zinc/19/50/51/1065195051.db2.gz NJVHIXKLOLKOLQ-MIZPHKNDSA-N 1 0 487.611 4.533 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001360359662 1065211944 /nfs/dbraw/zinc/21/19/44/1065211944.db2.gz HPLUQFAZKJGLJG-VWLOTQADSA-N 1 0 462.642 4.884 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001360360002 1065212495 /nfs/dbraw/zinc/21/24/95/1065212495.db2.gz NPYXDIQAISQFEI-DEOSSOPVSA-N 1 0 462.642 4.884 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360364251 1065221545 /nfs/dbraw/zinc/22/15/45/1065221545.db2.gz MFDYDTDNBBWIBU-HXUWFJFHSA-N 1 0 493.494 4.550 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360364935 1065222648 /nfs/dbraw/zinc/22/26/48/1065222648.db2.gz VZRIAUKGKQGVCG-UHFFFAOYSA-N 1 0 478.479 4.689 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001360365447 1065223369 /nfs/dbraw/zinc/22/33/69/1065223369.db2.gz USMWWAPXQDZJPJ-JOCHJYFZSA-N 1 0 457.022 4.623 20 0 JJADRO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC001360367349 1065226003 /nfs/dbraw/zinc/22/60/03/1065226003.db2.gz HERZQYQYALSWOD-GPXOXTDOSA-N 1 0 483.701 4.507 20 0 JJADRO Cc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)c(C[NH+](C)C)c1 ZINC001360368415 1065227755 /nfs/dbraw/zinc/22/77/55/1065227755.db2.gz BTVXGSXJEREQBH-UHFFFAOYSA-N 1 0 452.576 4.693 20 0 JJADRO CC(C)OCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360376745 1065236143 /nfs/dbraw/zinc/23/61/43/1065236143.db2.gz NDLMGCPQFABKBH-FQEVSTJZSA-N 1 0 461.626 4.683 20 0 JJADRO CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001360376953 1065237447 /nfs/dbraw/zinc/23/74/47/1065237447.db2.gz SNQRYRSWYYPFQK-IBGZPJMESA-N 1 0 493.494 4.553 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC001436194328 1065242477 /nfs/dbraw/zinc/24/24/77/1065242477.db2.gz DOPWANCHGREEJS-UHFFFAOYSA-N 1 0 451.498 4.764 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197540 1065244751 /nfs/dbraw/zinc/24/47/51/1065244751.db2.gz JPAPDTDVNQZQLZ-YADHBBJMSA-N 1 0 450.410 4.760 20 0 JJADRO CC(C)OCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001360383334 1065245658 /nfs/dbraw/zinc/24/56/58/1065245658.db2.gz QIYYUJLEQQMCHZ-IRLDBZIGSA-N 1 0 476.065 4.951 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(Cl)cc1 ZINC001436201170 1065247865 /nfs/dbraw/zinc/24/78/65/1065247865.db2.gz JECSVWKXGPXZQC-NJYVYQBISA-N 1 0 480.834 4.774 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001360387115 1065251249 /nfs/dbraw/zinc/25/12/49/1065251249.db2.gz ABRMPPXVYTXXBR-KRWDZBQOSA-N 1 0 453.892 4.777 20 0 JJADRO CC(C)OCCCn1c(-c2cccnc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360387008 1065251359 /nfs/dbraw/zinc/25/13/59/1065251359.db2.gz WUZKCBYDHXNWPO-JOCHJYFZSA-N 1 0 454.663 4.636 20 0 JJADRO CCn1nc(C(F)(F)F)c(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C(F)F ZINC001436209237 1065252165 /nfs/dbraw/zinc/25/21/65/1065252165.db2.gz JZUXUVSLFOYXCV-OAQYLSRUSA-N 1 0 456.459 4.598 20 0 JJADRO C/C(=C/C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387222 1065252177 /nfs/dbraw/zinc/25/21/77/1065252177.db2.gz DATARZNEMVHLCK-QYRZDNMNSA-N 1 0 459.512 4.914 20 0 JJADRO CC(C)OCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360390073 1065254136 /nfs/dbraw/zinc/25/41/36/1065254136.db2.gz DJACRYBMZBFGMH-UHFFFAOYSA-N 1 0 462.082 4.896 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H](OCC3CC3)c3ccc(Cl)cc3)cc2)CC1 ZINC001436211490 1065254411 /nfs/dbraw/zinc/25/44/11/1065254411.db2.gz AVCWSBREQNEBIC-VWLOTQADSA-N 1 0 456.030 4.768 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3cnc(-c4ccc(Cl)cc4)s3)cc2)CC1 ZINC001436217729 1065259107 /nfs/dbraw/zinc/25/91/07/1065259107.db2.gz DKDCTWHACIARNX-UHFFFAOYSA-N 1 0 455.027 4.924 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)o3)c2F)C1 ZINC001436221055 1065261249 /nfs/dbraw/zinc/26/12/49/1065261249.db2.gz AEWWHVAVSJOSEI-UHFFFAOYSA-N 1 0 457.546 4.950 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001545896228 1065263900 /nfs/dbraw/zinc/26/39/00/1065263900.db2.gz OBAYDRPJDBJLGM-JOCHJYFZSA-N 1 0 480.701 4.735 20 0 JJADRO CC(C)OCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001360403637 1065267097 /nfs/dbraw/zinc/26/70/97/1065267097.db2.gz INSBQCXXIKMTDJ-UHFFFAOYSA-N 1 0 460.066 4.650 20 0 JJADRO Cc1cc(Cl)cc(Br)c1OC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC001436233829 1065270478 /nfs/dbraw/zinc/27/04/78/1065270478.db2.gz GDOXLPKIYJZSKT-IRXDYDNUSA-N 1 0 454.796 4.564 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001360409305 1065272677 /nfs/dbraw/zinc/27/26/77/1065272677.db2.gz CQESKWZHEUDRAL-UHFFFAOYSA-N 1 0 479.547 4.827 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001360409271 1065272727 /nfs/dbraw/zinc/27/27/27/1065272727.db2.gz BZCCMJZYTIJGIC-PZJWPPBQSA-N 1 0 494.453 4.611 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(Cl)s2)CC1 ZINC001360409607 1065273033 /nfs/dbraw/zinc/27/30/33/1065273033.db2.gz NQTVCKNMAFTMGY-UHFFFAOYSA-N 1 0 480.465 4.909 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001360409491 1065273264 /nfs/dbraw/zinc/27/32/64/1065273264.db2.gz JJULVOYOFHQJSR-IBGZPJMESA-N 1 0 497.034 4.756 20 0 JJADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(C(F)F)cc1F ZINC001436258323 1065278205 /nfs/dbraw/zinc/27/82/05/1065278205.db2.gz ZKXOVEQYDNQRNW-GFCCVEGCSA-N 1 0 456.306 4.918 20 0 JJADRO CC(C)SCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001360416718 1065279677 /nfs/dbraw/zinc/27/96/77/1065279677.db2.gz JIUQVSPMMBPXDT-UHFFFAOYSA-N 1 0 496.096 4.960 20 0 JJADRO CC(C)SCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001360423554 1065291194 /nfs/dbraw/zinc/29/11/94/1065291194.db2.gz WOTQHYPODXVRIZ-IRLDBZIGSA-N 1 0 471.715 4.969 20 0 JJADRO CC(C)SCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001360425204 1065294167 /nfs/dbraw/zinc/29/41/67/1065294167.db2.gz YYCVANIKQHSWNG-IBGZPJMESA-N 1 0 496.146 4.524 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC001436314889 1065295088 /nfs/dbraw/zinc/29/50/88/1065295088.db2.gz HJBXPXYYRHHMSZ-LEWJYISDSA-N 1 0 460.405 4.836 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC001436318897 1065296313 /nfs/dbraw/zinc/29/63/13/1065296313.db2.gz WZROAMIWXZAKAA-UHFFFAOYSA-N 1 0 453.892 4.712 20 0 JJADRO Cc1c(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)ccc2c[nH+]cn21 ZINC001360426687 1065296937 /nfs/dbraw/zinc/29/69/37/1065296937.db2.gz DLUODADLADULMC-UHFFFAOYSA-N 1 0 452.530 4.828 20 0 JJADRO COC(=O)Nc1cc(C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC001436338548 1065298016 /nfs/dbraw/zinc/29/80/16/1065298016.db2.gz XMMFBKMOBRMPAH-QHCPKHFHSA-N 1 0 453.558 4.767 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCCC1 ZINC001360428071 1065299446 /nfs/dbraw/zinc/29/94/46/1065299446.db2.gz BUHGWBLWZMTYMN-HNNXBMFYSA-N 1 0 493.400 4.997 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001360428648 1065301600 /nfs/dbraw/zinc/30/16/00/1065301600.db2.gz NMUKIMJNYSBFON-UYAOXDASSA-N 1 0 463.617 4.579 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360429371 1065304241 /nfs/dbraw/zinc/30/42/41/1065304241.db2.gz UWXLGLWDBYDKRJ-RBUKOAKNSA-N 1 0 461.601 4.912 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@]1(C)CCCS1 ZINC001545897494 1065305083 /nfs/dbraw/zinc/30/50/83/1065305083.db2.gz AJLPPZCLCMRCDO-YPCDYVTLSA-N 1 0 490.762 4.573 20 0 JJADRO O=C(Nc1ccc(Br)c(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001360433231 1065311202 /nfs/dbraw/zinc/31/12/02/1065311202.db2.gz YHSOYPCGJHMRHB-IAGOWNOFSA-N 1 0 460.372 4.899 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CCCCC[NH+]1CCCCC1 ZINC001360433656 1065312401 /nfs/dbraw/zinc/31/24/01/1065312401.db2.gz TZPFPFMDDWYKJE-HXUWFJFHSA-N 1 0 453.610 4.671 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CCCCC[NH+]1CCCCC1 ZINC001360433655 1065312546 /nfs/dbraw/zinc/31/25/46/1065312546.db2.gz TZPFPFMDDWYKJE-FQEVSTJZSA-N 1 0 453.610 4.671 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1CC=CCC1 ZINC001545897958 1065314607 /nfs/dbraw/zinc/31/46/07/1065314607.db2.gz JYIWYLHCMGDDIH-XZOQPEGZSA-N 1 0 470.706 4.501 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)C(C)C ZINC001545898250 1065320267 /nfs/dbraw/zinc/32/02/67/1065320267.db2.gz QEFJKWHLCUMLQC-QFIPXVFZSA-N 1 0 474.738 4.971 20 0 JJADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360440361 1065323561 /nfs/dbraw/zinc/32/35/61/1065323561.db2.gz QRUJAARFZVEBNF-FQEVSTJZSA-N 1 0 487.714 4.801 20 0 JJADRO CC[NH+]1CCC(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)(C(F)(F)F)CC1 ZINC001436462910 1065324539 /nfs/dbraw/zinc/32/45/39/1065324539.db2.gz HQFAZRXBEMMWKJ-UHFFFAOYSA-N 1 0 456.940 4.526 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360440843 1065325087 /nfs/dbraw/zinc/32/50/87/1065325087.db2.gz YLNJGEXMGYBOPB-AZVZEQOLSA-N 1 0 496.706 4.583 20 0 JJADRO CC[NH+]1CCC(NC(=O)CCCCOc2ccc(Br)cc2)(C(F)(F)F)CC1 ZINC001436465421 1065325171 /nfs/dbraw/zinc/32/51/71/1065325171.db2.gz OOYUMAUYWNDABF-UHFFFAOYSA-N 1 0 451.327 4.531 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](C2CC2)CC1 ZINC001360443350 1065329369 /nfs/dbraw/zinc/32/93/69/1065329369.db2.gz XZUSRSCJWYWTNB-AONNBLCTSA-N 1 0 471.715 4.676 20 0 JJADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(C(C)(C)C)n1CC[NH+]1CCCCCC1 ZINC001360443664 1065329990 /nfs/dbraw/zinc/32/99/90/1065329990.db2.gz DMONTEIFVFOADI-FQEVSTJZSA-N 1 0 468.646 4.606 20 0 JJADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360444580 1065331901 /nfs/dbraw/zinc/33/19/01/1065331901.db2.gz VQAZYZLEDYTDKM-UGKGYDQZSA-N 1 0 494.640 4.917 20 0 JJADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C2CCC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360447854 1065338074 /nfs/dbraw/zinc/33/80/74/1065338074.db2.gz FIYMQWAJUQPRDP-SQJMNOBHSA-N 1 0 480.701 4.712 20 0 JJADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C2CCC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360447853 1065338238 /nfs/dbraw/zinc/33/82/38/1065338238.db2.gz FIYMQWAJUQPRDP-PXDATVDWSA-N 1 0 480.701 4.712 20 0 JJADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1CC[N@H+](C)C1CCCCC1 ZINC001360448142 1065338285 /nfs/dbraw/zinc/33/82/85/1065338285.db2.gz LDZHEQPQUSLIQY-QFIPXVFZSA-N 1 0 482.717 4.787 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360450403 1065341808 /nfs/dbraw/zinc/34/18/08/1065341808.db2.gz LUCMWOOEICZGNZ-QDSKXPNFSA-N 1 0 496.700 4.930 20 0 JJADRO C[C@@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)[NH+](C)C ZINC001360450482 1065341896 /nfs/dbraw/zinc/34/18/96/1065341896.db2.gz NFZMYXXVZWZWCC-AJSBUHFISA-N 1 0 482.673 4.888 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](C)C1CCCC1 ZINC001360454727 1065353502 /nfs/dbraw/zinc/35/35/02/1065353502.db2.gz PVRPGTXJYQYJOJ-MRXNPFEDSA-N 1 0 475.435 4.711 20 0 JJADRO CCc1nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1-c1ccccc1Cl ZINC001360459514 1065361005 /nfs/dbraw/zinc/36/10/05/1065361005.db2.gz JNSFUMNJAMTYET-QUCCMNQESA-N 1 0 452.002 4.608 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001360459955 1065361817 /nfs/dbraw/zinc/36/18/17/1065361817.db2.gz NNPUUGRUJFNVEA-REWPJTCUSA-N 1 0 451.611 4.836 20 0 JJADRO Cc1sc2nc(C)nc(SCC(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2c1C ZINC001360464754 1065373831 /nfs/dbraw/zinc/37/38/31/1065373831.db2.gz GOJOEOZEHDNIKN-INIZCTEOSA-N 1 0 454.665 4.832 20 0 JJADRO C[C@@H](c1cccs1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+](C)C1CCCCC1 ZINC001360466073 1065376570 /nfs/dbraw/zinc/37/65/70/1065376570.db2.gz HKKAEMJXAIVWOO-SFHVURJKSA-N 1 0 486.711 4.793 20 0 JJADRO C[C@@H](c1ccsc1)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360466460 1065378783 /nfs/dbraw/zinc/37/87/83/1065378783.db2.gz DSNIXQALXKYMAM-QFIPXVFZSA-N 1 0 480.726 4.596 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(-c3cc(OC)ccc3Cl)no2)c1 ZINC001436584028 1065382399 /nfs/dbraw/zinc/38/23/99/1065382399.db2.gz OKTIHGZKHCUNLW-UHFFFAOYSA-N 1 0 456.930 4.536 20 0 JJADRO CCN(CC)c1ccc2nc(NC(=O)c3ccc(N4CC[NH+](C(C)C)CC4)cc3)sc2c1 ZINC001436592220 1065388288 /nfs/dbraw/zinc/38/82/88/1065388288.db2.gz SEMKAOLOCAYUHF-UHFFFAOYSA-N 1 0 451.640 4.925 20 0 JJADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C(F)(F)c1ccc(Br)cc1 ZINC001436597132 1065390614 /nfs/dbraw/zinc/39/06/14/1065390614.db2.gz DSDCXWPLHSUAFB-GOSISDBHSA-N 1 0 451.355 4.959 20 0 JJADRO Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001436598470 1065391549 /nfs/dbraw/zinc/39/15/49/1065391549.db2.gz HSBUNZMRDQVTCX-HXUWFJFHSA-N 1 0 451.592 4.934 20 0 JJADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001436602068 1065394814 /nfs/dbraw/zinc/39/48/14/1065394814.db2.gz XCIJEWINCWSKNK-GOSISDBHSA-N 1 0 458.484 4.788 20 0 JJADRO O=C(C(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC001436647787 1065416571 /nfs/dbraw/zinc/41/65/71/1065416571.db2.gz SLHAVXVEXYMLSA-UHFFFAOYSA-N 1 0 455.805 4.866 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360500515 1065422191 /nfs/dbraw/zinc/42/21/91/1065422191.db2.gz NFJINEHPUHGAGL-IBGZPJMESA-N 1 0 455.647 4.915 20 0 JJADRO CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001360502378 1065428210 /nfs/dbraw/zinc/42/82/10/1065428210.db2.gz RPYVFCHIRKUUMY-UHFFFAOYSA-N 1 0 459.590 4.857 20 0 JJADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360502967 1065430870 /nfs/dbraw/zinc/43/08/70/1065430870.db2.gz GMLMITLCYWAJHZ-CVDCTZTESA-N 1 0 451.615 4.995 20 0 JJADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360503425 1065431442 /nfs/dbraw/zinc/43/14/42/1065431442.db2.gz LCUFBCVWUZTQRH-GBXCKJPGSA-N 1 0 464.658 4.567 20 0 JJADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(Cc2ccncc2)n1CC1([NH+](C)C)CCCCC1 ZINC001360504506 1065435972 /nfs/dbraw/zinc/43/59/72/1065435972.db2.gz WCMUMDZWCTYBST-QFIPXVFZSA-N 1 0 476.669 4.692 20 0 JJADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccnc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360504805 1065437541 /nfs/dbraw/zinc/43/75/41/1065437541.db2.gz ZTPOFOZSUMCDHB-NRFANRHFSA-N 1 0 462.642 4.768 20 0 JJADRO C[C@@H](CCn1c(-c2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360504837 1065437701 /nfs/dbraw/zinc/43/77/01/1065437701.db2.gz CNAHKYHMXGMSCI-CYFREDJKSA-N 1 0 479.591 4.739 20 0 JJADRO C[C@H](CCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360505413 1065440812 /nfs/dbraw/zinc/44/08/12/1065440812.db2.gz NZCAXGMEMRYVNX-MOPGFXCFSA-N 1 0 499.025 4.936 20 0 JJADRO C[C@H](CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360505797 1065442303 /nfs/dbraw/zinc/44/23/03/1065442303.db2.gz VLIWPTDRTZAMFP-APWZRJJASA-N 1 0 471.955 4.631 20 0 JJADRO C[C@@H](CCn1c(-c2ccccc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360505702 1065442394 /nfs/dbraw/zinc/44/23/94/1065442394.db2.gz SPFVJUCZCJMALQ-XZOQPEGZSA-N 1 0 496.700 4.903 20 0 JJADRO C[C@H](CCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360505980 1065443212 /nfs/dbraw/zinc/44/32/12/1065443212.db2.gz YQMSDLUVYABPOV-OAQYLSRUSA-N 1 0 482.673 4.703 20 0 JJADRO C[C@H](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCCC1 ZINC001360509216 1065449614 /nfs/dbraw/zinc/44/96/14/1065449614.db2.gz OPVZRWWJGSSSON-JOCHJYFZSA-N 1 0 479.673 4.647 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1)[N@H+](C)Cc1ccccc1 ZINC001360509740 1065450572 /nfs/dbraw/zinc/45/05/72/1065450572.db2.gz XHEOKDMUESBERE-SIKLNZKXSA-N 1 0 461.601 4.912 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](C)c2ccccc2)CC1 ZINC001360509581 1065450765 /nfs/dbraw/zinc/45/07/65/1065450765.db2.gz VHAHBTPRGRBIRV-RCZVLFRGSA-N 1 0 453.675 4.923 20 0 JJADRO C[C@H](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1)[NH+]1CCCCC1 ZINC001360509999 1065451587 /nfs/dbraw/zinc/45/15/87/1065451587.db2.gz BUWWFQXJIJHHAI-VSKRKVRLSA-N 1 0 488.721 4.940 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[C@@H](C)c2ccccc2)CC1 ZINC001360510236 1065452613 /nfs/dbraw/zinc/45/26/13/1065452613.db2.gz GSBXEWUXKXVQLI-JRFVFWCSSA-N 1 0 496.700 4.773 20 0 JJADRO C[C@H](CCn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360510310 1065453322 /nfs/dbraw/zinc/45/33/22/1065453322.db2.gz HWEZVAVGZLEQAK-QPPBQGQZSA-N 1 0 496.700 4.635 20 0 JJADRO C[C@@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCCO)CC1)[NH+]1CCCCC1 ZINC001360510376 1065454314 /nfs/dbraw/zinc/45/43/14/1065454314.db2.gz JHIRYYOIPOSJTA-NRFANRHFSA-N 1 0 474.093 4.776 20 0 JJADRO C[C@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1)[NH+]1CCCCC1 ZINC001360510404 1065454404 /nfs/dbraw/zinc/45/44/04/1065454404.db2.gz JXTLTFTVCHCFSU-NFBKMPQASA-N 1 0 460.066 4.792 20 0 JJADRO C[C@H](CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1cccs1)[NH+]1CCCCC1 ZINC001360510569 1065454751 /nfs/dbraw/zinc/45/47/51/1065454751.db2.gz NMLGDHGPLFYVOM-RTBURBONSA-N 1 0 486.711 4.793 20 0 JJADRO C[C@H](CCn1c(Cc2ccsc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360510733 1065455803 /nfs/dbraw/zinc/45/58/03/1065455803.db2.gz OXCJNPDOEAGJCM-JPYJTQIMSA-N 1 0 499.647 4.725 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001360511530 1065457153 /nfs/dbraw/zinc/45/71/53/1065457153.db2.gz XPHXZJDCDLYKNA-HSZRJFAPSA-N 1 0 496.700 4.590 20 0 JJADRO C[C@@H](CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCCCC1 ZINC001360511615 1065457290 /nfs/dbraw/zinc/45/72/90/1065457290.db2.gz ZDPMDSKSFWMNDJ-ZCNNSNEGSA-N 1 0 479.591 4.988 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)[NH+]1CCCCC1 ZINC001360511548 1065457383 /nfs/dbraw/zinc/45/73/83/1065457383.db2.gz XWOCUBNWUJOYKG-KRWDZBQOSA-N 1 0 479.595 4.503 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)c1ccccc1 ZINC001360512210 1065459364 /nfs/dbraw/zinc/45/93/64/1065459364.db2.gz HVYSLPOANCQTRO-DEOSSOPVSA-N 1 0 452.576 4.904 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSCC1)[N@H+](C)Cc1ccccc1 ZINC001360513594 1065461024 /nfs/dbraw/zinc/46/10/24/1065461024.db2.gz CPBHURYBCSEZCQ-YMPZKCBVSA-N 1 0 471.715 4.661 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCCOC1)[N@H+](C)Cc1ccccc1 ZINC001360513681 1065461540 /nfs/dbraw/zinc/46/15/40/1065461540.db2.gz FOMQYGFZNFULMH-DZWGLGNASA-N 1 0 497.728 4.970 20 0 JJADRO C[C@@H](CCn1c(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360514451 1065466810 /nfs/dbraw/zinc/46/68/10/1065466810.db2.gz UITIXDXRZNIQAT-MIZPHKNDSA-N 1 0 457.638 4.946 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)C1)[NH+]1CCCCC1 ZINC001360514511 1065466894 /nfs/dbraw/zinc/46/68/94/1065466894.db2.gz VDFJWWMLGVEHBM-SAZYNNDCSA-N 1 0 492.684 4.799 20 0 JJADRO C[C@H](CCc1ccccc1F)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001436961771 1065482092 /nfs/dbraw/zinc/48/20/92/1065482092.db2.gz ZYPXDFSERKDERG-MRXNPFEDSA-N 1 0 450.396 4.793 20 0 JJADRO Cc1nn(C)c2nc(C)c(CC(=O)Nc3ccc(SCC[NH+]4CCCCC4)cc3)c(C)c12 ZINC001437008055 1065493659 /nfs/dbraw/zinc/49/36/59/1065493659.db2.gz QDVVRRPHVPXGFX-UHFFFAOYSA-N 1 0 451.640 4.653 20 0 JJADRO CC(C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001360520680 1065493861 /nfs/dbraw/zinc/49/38/61/1065493861.db2.gz KXZBZEHPHPEOMZ-WIYYLYMNSA-N 1 0 489.089 4.652 20 0 JJADRO CC(C)N(C(=O)c1csc(COc2ccc(F)cc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001437026787 1065498634 /nfs/dbraw/zinc/49/86/34/1065498634.db2.gz GSJFBOALNBAAOW-OAQYLSRUSA-N 1 0 453.583 4.986 20 0 JJADRO C[C@H](CN(C)c1nnc(Cc2ccncc2)n1C[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001360526268 1065504377 /nfs/dbraw/zinc/50/43/77/1065504377.db2.gz INAJDJHIFIPVRQ-OFNKIYASSA-N 1 0 460.651 4.868 20 0 JJADRO C[C@H](CN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1nccs1 ZINC001360529284 1065508978 /nfs/dbraw/zinc/50/89/78/1065508978.db2.gz FPGOSJHVPHPDHI-NQIIRXRSSA-N 1 0 486.661 4.813 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC2(C1)CCCCCC2)[NH+](C)C ZINC001360533801 1065515021 /nfs/dbraw/zinc/51/50/21/1065515021.db2.gz AWOIXCAOGRXMDS-SFHVURJKSA-N 1 0 476.463 4.587 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360535211 1065516599 /nfs/dbraw/zinc/51/65/99/1065516599.db2.gz AXTITDWUBQQYIC-YLJYHZDGSA-N 1 0 489.064 4.575 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360535209 1065516662 /nfs/dbraw/zinc/51/66/62/1065516662.db2.gz AXTITDWUBQQYIC-PXNSSMCTSA-N 1 0 489.064 4.575 20 0 JJADRO C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001360535323 1065516692 /nfs/dbraw/zinc/51/66/92/1065516692.db2.gz BXHVCNNKOQHZCP-ZDUSSCGKSA-N 1 0 475.437 4.963 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccn1)[N@H+](C)Cc1ccccc1 ZINC001360536071 1065518450 /nfs/dbraw/zinc/51/84/50/1065518450.db2.gz TUIRWOVITRUTCE-SFHVURJKSA-N 1 0 494.441 4.588 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001545905451 1065519037 /nfs/dbraw/zinc/51/90/37/1065519037.db2.gz BJSZVQRPUHGVMY-JOCHJYFZSA-N 1 0 472.722 4.869 20 0 JJADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)cc1 ZINC001437229471 1065523075 /nfs/dbraw/zinc/52/30/75/1065523075.db2.gz XCKWFIQCERSEOE-SQFISAMPSA-N 1 0 452.576 4.747 20 0 JJADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCCCC1)[NH+](C)C ZINC001360541430 1065527977 /nfs/dbraw/zinc/52/79/77/1065527977.db2.gz LKSRGFMUKTZQGT-OAHLLOKOSA-N 1 0 452.416 4.813 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cccs2)CC1)[NH+](C)C ZINC001360541511 1065528795 /nfs/dbraw/zinc/52/87/95/1065528795.db2.gz QGPVRSUFNXGFOB-HNNXBMFYSA-N 1 0 465.454 4.590 20 0 JJADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001437278211 1065529074 /nfs/dbraw/zinc/52/90/74/1065529074.db2.gz OXTCZSYWZQOFIJ-QVKFZJNVSA-N 1 0 451.792 4.651 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1)[NH+](C)C ZINC001360541829 1065529694 /nfs/dbraw/zinc/52/96/94/1065529694.db2.gz UNEZUCFUJHSYBH-LJQANCHMSA-N 1 0 482.076 4.568 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360544834 1065534965 /nfs/dbraw/zinc/53/49/65/1065534965.db2.gz QXNQLQAIBGHYDO-GUDVDZBRSA-N 1 0 489.064 4.527 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360544835 1065535021 /nfs/dbraw/zinc/53/50/21/1065535021.db2.gz QXNQLQAIBGHYDO-QRVBRYPASA-N 1 0 489.064 4.527 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC001437347678 1065539972 /nfs/dbraw/zinc/53/99/72/1065539972.db2.gz MDUBHRCYZCYKTL-UHFFFAOYSA-N 1 0 455.574 4.766 20 0 JJADRO C[C@H](Cn1c(-c2cccnc2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC001360549791 1065541881 /nfs/dbraw/zinc/54/18/81/1065541881.db2.gz ZDDHFOHCMBSMEB-IERDGZPVSA-N 1 0 487.421 4.732 20 0 JJADRO C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+](C)C ZINC001360553135 1065544067 /nfs/dbraw/zinc/54/40/67/1065544067.db2.gz IMLGJZCEQWQXDX-MRXNPFEDSA-N 1 0 462.520 4.719 20 0 JJADRO C[C@H](Cn1c(C2CC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360555983 1065546310 /nfs/dbraw/zinc/54/63/10/1065546310.db2.gz ZXRSRFQLOGPEDR-OFNKIYASSA-N 1 0 482.673 4.512 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N(C)Cc1csc(Br)c1)[N@H+](C)C1CC1 ZINC001360558660 1065547970 /nfs/dbraw/zinc/54/79/70/1065547970.db2.gz BASIAGRXSUTPLB-AWEZNQCLSA-N 1 0 452.466 4.879 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360560276 1065550309 /nfs/dbraw/zinc/55/03/09/1065550309.db2.gz UIPPYTWSDYIXLI-URXFXBBRSA-N 1 0 496.700 4.902 20 0 JJADRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@]2(CC=CCC2)C1)[NH+](C)C ZINC001360562272 1065552446 /nfs/dbraw/zinc/55/24/46/1065552446.db2.gz AVRUDFGTJOWQIB-VHSZZVNMSA-N 1 0 486.705 4.669 20 0 JJADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001437468448 1065556500 /nfs/dbraw/zinc/55/65/00/1065556500.db2.gz LXSINRALUJZVHV-OAQYLSRUSA-N 1 0 458.002 4.674 20 0 JJADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001437469542 1065557152 /nfs/dbraw/zinc/55/71/52/1065557152.db2.gz XPTHRXPMYCVOBY-GHTZIAJQSA-N 1 0 453.023 4.542 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC=C(Br)C1)[N@H+](C)Cc1ccccc1 ZINC001360568721 1065560693 /nfs/dbraw/zinc/56/06/93/1065560693.db2.gz FWIMUDQRWJELEP-GOSISDBHSA-N 1 0 460.464 4.876 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)[N@H+](C)C1CC1 ZINC001360570994 1065564939 /nfs/dbraw/zinc/56/49/39/1065564939.db2.gz XVZNLBFDFIJBIU-UYAOXDASSA-N 1 0 455.622 4.588 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)c2ccc(F)cc2)CC1 ZINC001360575020 1065570519 /nfs/dbraw/zinc/57/05/19/1065570519.db2.gz SCCHGCKXXQPYOP-NRFANRHFSA-N 1 0 464.633 4.763 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001360575022 1065570700 /nfs/dbraw/zinc/57/07/00/1065570700.db2.gz SCCHGCKXXQPYOP-OAQYLSRUSA-N 1 0 464.633 4.763 20 0 JJADRO C[C@@H](Cn1c(CC2CCCC2)nnc1N(Cc1cnn(C)c1)Cc1ccc(Cl)cc1)[NH+](C)C ZINC001360578843 1065574425 /nfs/dbraw/zinc/57/44/25/1065574425.db2.gz NNEVNYIOCUWORK-IBGZPJMESA-N 1 0 470.065 4.555 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001437562156 1065577538 /nfs/dbraw/zinc/57/75/38/1065577538.db2.gz JIKPSWFBZOCELR-UHFFFAOYSA-N 1 0 451.014 4.999 20 0 JJADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC001437586068 1065581895 /nfs/dbraw/zinc/58/18/95/1065581895.db2.gz LPHNPSGAJYFGON-IRLDBZIGSA-N 1 0 459.428 4.554 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]2CCC[C@H]21)[NH+](C)C ZINC001360583811 1065582307 /nfs/dbraw/zinc/58/23/07/1065582307.db2.gz KZLAXUARDRKZGU-JTDSTZFVSA-N 1 0 452.430 4.883 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CC(F)(F)C1)[N@H+](C)C1CC1 ZINC001360584312 1065584289 /nfs/dbraw/zinc/58/42/89/1065584289.db2.gz VFZBCJVVFBTMBK-OAHLLOKOSA-N 1 0 498.416 4.584 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001360584488 1065584507 /nfs/dbraw/zinc/58/45/07/1065584507.db2.gz WRRPRWGZWWTCCS-ZDUSSCGKSA-N 1 0 489.245 4.603 20 0 JJADRO C[C@@H](Cn1c(N2CCC[C@H](Oc3ncccc3F)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360587485 1065589030 /nfs/dbraw/zinc/58/90/30/1065589030.db2.gz QHJPZIMEMFFGFU-UNMCSNQZSA-N 1 0 480.632 4.678 20 0 JJADRO C[C@@H](Cn1c(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360588359 1065592188 /nfs/dbraw/zinc/59/21/88/1065592188.db2.gz ZRIOZQPJXGOBPG-SFTDATJTSA-N 1 0 484.689 4.542 20 0 JJADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC001360590084 1065594426 /nfs/dbraw/zinc/59/44/26/1065594426.db2.gz ZLQMEDUOAYJWQC-UHFFFAOYSA-N 1 0 458.356 4.995 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001360590707 1065596346 /nfs/dbraw/zinc/59/63/46/1065596346.db2.gz OHSDOJHHJUJFQZ-YMPZKCBVSA-N 1 0 471.715 4.908 20 0 JJADRO CC(C)[C@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)CC[N@@H+]1Cc1ccccc1 ZINC001437726289 1065596525 /nfs/dbraw/zinc/59/65/25/1065596525.db2.gz JSSYDBQZRHGJPL-HXUWFJFHSA-N 1 0 451.355 4.639 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360591244 1065598520 /nfs/dbraw/zinc/59/85/20/1065598520.db2.gz ZNDBFFPUOCINLQ-DYXWJJEUSA-N 1 0 474.694 4.705 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001360591486 1065598596 /nfs/dbraw/zinc/59/85/96/1065598596.db2.gz DMIFKIZXWNLWTH-AZUAARDMSA-N 1 0 460.464 4.922 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001360591487 1065598628 /nfs/dbraw/zinc/59/86/28/1065598628.db2.gz DMIFKIZXWNLWTH-ICSRJNTNSA-N 1 0 460.464 4.922 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC001360591639 1065598854 /nfs/dbraw/zinc/59/88/54/1065598854.db2.gz HDCQPQIBZXOCPQ-MRXNPFEDSA-N 1 0 468.390 4.675 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360591731 1065598896 /nfs/dbraw/zinc/59/88/96/1065598896.db2.gz IPYZOTGVVDILSU-SJORKVTESA-N 1 0 463.468 4.640 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C)C1)C[NH+]1CCCC1 ZINC001360591914 1065599474 /nfs/dbraw/zinc/59/94/74/1065599474.db2.gz MGJWXOSXUVJNDY-QRVBRYPASA-N 1 0 464.079 4.745 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC001360591820 1065599593 /nfs/dbraw/zinc/59/95/93/1065599593.db2.gz KKDRQKDYRZNHQL-MSOLQXFVSA-N 1 0 451.537 4.525 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC001360592090 1065599704 /nfs/dbraw/zinc/59/97/04/1065599704.db2.gz PIKCZXQJSPXZIQ-HKBOAZHASA-N 1 0 476.065 4.666 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC001360592266 1065600033 /nfs/dbraw/zinc/60/00/33/1065600033.db2.gz RZIYJPBBMMBNEK-IRXDYDNUSA-N 1 0 496.881 4.566 20 0 JJADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)Oc1ccc(Cl)cc1 ZINC001360592502 1065600930 /nfs/dbraw/zinc/60/09/30/1065600930.db2.gz WUEKYTOPWFWTRS-DENIHFKCSA-N 1 0 476.065 4.809 20 0 JJADRO C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593067 1065602680 /nfs/dbraw/zinc/60/26/80/1065602680.db2.gz DEFQGAJXLVLLHL-RBBKRZOGSA-N 1 0 474.694 4.503 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)C[NH+]1CCCC1 ZINC001360593331 1065603263 /nfs/dbraw/zinc/60/32/63/1065603263.db2.gz FUEYWKXUSLDFET-MRXNPFEDSA-N 1 0 495.981 4.719 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001360594544 1065604864 /nfs/dbraw/zinc/60/48/64/1065604864.db2.gz SJSJGPDXWXODIG-GOSISDBHSA-N 1 0 483.554 4.897 20 0 JJADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594366 1065604914 /nfs/dbraw/zinc/60/49/14/1065604914.db2.gz QRUZPTUWVUMNGR-IFMALSPDSA-N 1 0 457.638 4.524 20 0 JJADRO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC(C)(C)C1)C[NH+]1CCCC1 ZINC001360594959 1065605536 /nfs/dbraw/zinc/60/55/36/1065605536.db2.gz WMXNHJHDMVCGLJ-MBDNFAEBSA-N 1 0 488.721 4.653 20 0 JJADRO C[C@@H](Cn1c(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)nnc1C(C)(C)C)C[NH+]1CCCC1 ZINC001360594904 1065605599 /nfs/dbraw/zinc/60/55/99/1065605599.db2.gz VUASTPAZYLLNFR-UTKZUKDTSA-N 1 0 464.029 4.678 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360595388 1065606637 /nfs/dbraw/zinc/60/66/37/1065606637.db2.gz ZUNMGGXHCLAUMW-HNNXBMFYSA-N 1 0 469.518 4.920 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360596748 1065610612 /nfs/dbraw/zinc/61/06/12/1065610612.db2.gz GONZVUOQXQTISV-DENIHFKCSA-N 1 0 477.600 4.674 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC1(C)C)C[NH+]1CCCCC1 ZINC001360596830 1065611256 /nfs/dbraw/zinc/61/12/56/1065611256.db2.gz HZGDPQLPTFSJHD-KRWDZBQOSA-N 1 0 463.468 4.547 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCSC[C@H]1C)C[NH+]1CCCCC1 ZINC001360597172 1065612057 /nfs/dbraw/zinc/61/20/57/1065612057.db2.gz MKCNZJPBHXRITO-QZTJIDSGSA-N 1 0 478.504 4.771 20 0 JJADRO CC(C)c1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360597159 1065612221 /nfs/dbraw/zinc/61/22/21/1065612221.db2.gz MDKCVYWZHHRSQI-YKSBVNFPSA-N 1 0 457.638 4.613 20 0 JJADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1Br)C[NH+]1CCCCC1 ZINC001360597193 1065612916 /nfs/dbraw/zinc/61/29/16/1065612916.db2.gz MPLALWFHTWMHJS-LJQANCHMSA-N 1 0 483.458 4.861 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC001360597384 1065613895 /nfs/dbraw/zinc/61/38/95/1065613895.db2.gz NZPVGLBAKPWBTA-FSSWDIPSSA-N 1 0 488.721 4.954 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360597569 1065614589 /nfs/dbraw/zinc/61/45/89/1065614589.db2.gz POHPXOACEZOOQU-KNQAVFIVSA-N 1 0 490.490 4.835 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597784 1065615304 /nfs/dbraw/zinc/61/53/04/1065615304.db2.gz RILWHZYHJOIDAS-FCHUYYIVSA-N 1 0 498.691 4.585 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccco2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360597949 1065615929 /nfs/dbraw/zinc/61/59/29/1065615929.db2.gz TWIFTDQSNGNZBL-VQTJNVASSA-N 1 0 455.578 4.909 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1)C[NH+]1CCCCC1 ZINC001360598146 1065616702 /nfs/dbraw/zinc/61/67/02/1065616702.db2.gz VRDWPNHAJVFHOI-INIZCTEOSA-N 1 0 464.427 4.815 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1)C[NH+]1CCCCC1 ZINC001360598148 1065616789 /nfs/dbraw/zinc/61/67/89/1065616789.db2.gz VRDWPNHAJVFHOI-MRXNPFEDSA-N 1 0 464.427 4.815 20 0 JJADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC001360598430 1065618385 /nfs/dbraw/zinc/61/83/85/1065618385.db2.gz BCSQHNMCPFQZCO-RTWAWAEBSA-N 1 0 450.606 4.722 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC(C)(C)[C@H]1C)C[NH+]1CCCCC1 ZINC001360598485 1065618440 /nfs/dbraw/zinc/61/84/40/1065618440.db2.gz YHJGYTLJHCQHJS-QZTJIDSGSA-N 1 0 464.029 4.863 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(F)c1)C[NH+]1CCCCC1 ZINC001360598493 1065618889 /nfs/dbraw/zinc/61/88/89/1065618889.db2.gz YLCFPBQLLUKLEZ-SFHVURJKSA-N 1 0 456.997 4.891 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC001360598898 1065620017 /nfs/dbraw/zinc/62/00/17/1065620017.db2.gz HGMXWXLDEHLSCI-JOCHJYFZSA-N 1 0 480.701 4.844 20 0 JJADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360599238 1065620840 /nfs/dbraw/zinc/62/08/40/1065620840.db2.gz MJAZIEQYVHVRHO-NLWGTHIKSA-N 1 0 467.555 4.765 20 0 JJADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360599745 1065621460 /nfs/dbraw/zinc/62/14/60/1065621460.db2.gz VUZUZJKPXDEYGD-SFHVURJKSA-N 1 0 467.555 4.909 20 0 JJADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360599744 1065621543 /nfs/dbraw/zinc/62/15/43/1065621543.db2.gz VUZUZJKPXDEYGD-GOSISDBHSA-N 1 0 467.555 4.909 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1)C[NH+]1CCCCC1 ZINC001360599475 1065621556 /nfs/dbraw/zinc/62/15/56/1065621556.db2.gz QFQLOCDAOYHJKB-QZTJIDSGSA-N 1 0 496.519 4.755 20 0 JJADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccccc1F)C[NH+]1CCCCC1 ZINC001360599710 1065621598 /nfs/dbraw/zinc/62/15/98/1065621598.db2.gz VNWVXLNDZCRCRA-RTWAWAEBSA-N 1 0 450.606 4.722 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001360601180 1065624017 /nfs/dbraw/zinc/62/40/17/1065624017.db2.gz QFLOVGAHWCTBML-UHFFFAOYSA-N 1 0 455.908 4.822 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C)C[NH+]1CCCCC1 ZINC001360601573 1065624041 /nfs/dbraw/zinc/62/40/41/1065624041.db2.gz BVSCZIWHXXCCDW-OALUTQOASA-N 1 0 464.079 4.574 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360601841 1065624584 /nfs/dbraw/zinc/62/45/84/1065624584.db2.gz HTJKZHUZHNPMJD-WOJBJXKFSA-N 1 0 476.065 4.636 20 0 JJADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360601606 1065624608 /nfs/dbraw/zinc/62/46/08/1065624608.db2.gz CVHBUOFTLPYMHQ-MBSDFSHPSA-N 1 0 499.647 4.582 20 0 JJADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001437901577 1065628468 /nfs/dbraw/zinc/62/84/68/1065628468.db2.gz KUHCPPLJCXVOFI-HXUWFJFHSA-N 1 0 457.405 4.729 20 0 JJADRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)S[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360604150 1065629498 /nfs/dbraw/zinc/62/94/98/1065629498.db2.gz ZFESZUDYZNZMQV-DNVJHFABSA-N 1 0 455.716 4.906 20 0 JJADRO CC(C)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001360603966 1065629762 /nfs/dbraw/zinc/62/97/62/1065629762.db2.gz XWQLSJRNSHASHV-HSZRJFAPSA-N 1 0 453.675 4.894 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001360607078 1065633632 /nfs/dbraw/zinc/63/36/32/1065633632.db2.gz HKRUPOQBBWENJT-IBGZPJMESA-N 1 0 491.080 4.680 20 0 JJADRO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360611995 1065650993 /nfs/dbraw/zinc/65/09/93/1065650993.db2.gz WFTUMJNUZLLUSZ-XUZZJYLKSA-N 1 0 496.700 4.807 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC001438030293 1065655028 /nfs/dbraw/zinc/65/50/28/1065655028.db2.gz CNDKVMMKLUHVTN-GOSISDBHSA-N 1 0 455.318 4.920 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001438064540 1065664019 /nfs/dbraw/zinc/66/40/19/1065664019.db2.gz XYYMZYMFEVPYAY-UHFFFAOYSA-N 1 0 455.965 4.575 20 0 JJADRO Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001438064001 1065664132 /nfs/dbraw/zinc/66/41/32/1065664132.db2.gz VNRVRZCIVJATCD-QGZVFWFLSA-N 1 0 455.546 4.629 20 0 JJADRO CC(F)(F)CCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001360630565 1065678956 /nfs/dbraw/zinc/67/89/56/1065678956.db2.gz PXOJVPFXAWSSMY-UHFFFAOYSA-N 1 0 463.573 4.827 20 0 JJADRO C[C@H](N1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1)C(F)(F)F ZINC001360632378 1065684726 /nfs/dbraw/zinc/68/47/26/1065684726.db2.gz ODMDGODBTDIQFI-AVRDEDQJSA-N 1 0 496.597 4.668 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360636920 1065696797 /nfs/dbraw/zinc/69/67/97/1065696797.db2.gz NQPFSTVSFLXJKB-FKBYEOEOSA-N 1 0 490.737 4.970 20 0 JJADRO CCC1([NH+](C)C)CCN(C(=O)c2ccccc2CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001438210239 1065697053 /nfs/dbraw/zinc/69/70/53/1065697053.db2.gz VFFQLOQJPCLLNM-UHFFFAOYSA-N 1 0 457.659 4.823 20 0 JJADRO C[C@@H](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360637020 1065698398 /nfs/dbraw/zinc/69/83/98/1065698398.db2.gz PPARHFHVXQOZRJ-FKBYEOEOSA-N 1 0 499.704 4.667 20 0 JJADRO C[C@@H](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360637019 1065698441 /nfs/dbraw/zinc/69/84/41/1065698441.db2.gz PPARHFHVXQOZRJ-FDFHNCONSA-N 1 0 499.704 4.667 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001360637249 1065698992 /nfs/dbraw/zinc/69/89/92/1065698992.db2.gz SZLJNZKTVJGYAG-GGAORHGYSA-N 1 0 488.721 4.941 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001360637250 1065699002 /nfs/dbraw/zinc/69/90/02/1065699002.db2.gz SZLJNZKTVJGYAG-GMAHTHKFSA-N 1 0 488.721 4.941 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC001438263392 1065704316 /nfs/dbraw/zinc/70/43/16/1065704316.db2.gz QRGTWFFTFDPEOC-VHQIHPTKSA-N 1 0 469.670 4.827 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccccc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001360638870 1065705271 /nfs/dbraw/zinc/70/52/71/1065705271.db2.gz KFCSSPQNTHQBJR-OAQYLSRUSA-N 1 0 496.700 4.949 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001360640189 1065710065 /nfs/dbraw/zinc/71/00/65/1065710065.db2.gz UZVIDLFNEKFUJB-FYYLOGMGSA-N 1 0 482.673 4.561 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC001438334618 1065711311 /nfs/dbraw/zinc/71/13/11/1065711311.db2.gz MGDLYNSQUUSVFF-NEWJYFPISA-N 1 0 476.539 4.527 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001438334035 1065711568 /nfs/dbraw/zinc/71/15/68/1065711568.db2.gz RXBAHDQESBGHIF-RHSMWYFYSA-N 1 0 455.318 4.966 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001438338486 1065712093 /nfs/dbraw/zinc/71/20/93/1065712093.db2.gz WYYBHQFNNSHASY-QDSKXPNFSA-N 1 0 457.659 4.734 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001360641407 1065713552 /nfs/dbraw/zinc/71/35/52/1065713552.db2.gz HSIHVVAFGGMCFA-OAQYLSRUSA-N 1 0 496.700 4.807 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001360641675 1065714194 /nfs/dbraw/zinc/71/41/94/1065714194.db2.gz LMIGZQQOOZQAPE-UWJYYQICSA-N 1 0 488.702 4.650 20 0 JJADRO C[C@H](CCn1c(C2CCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360642765 1065716791 /nfs/dbraw/zinc/71/67/91/1065716791.db2.gz WIHPJHUJFOTSPQ-NHCUHLMSSA-N 1 0 488.721 4.940 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1)c1ccccc1 ZINC001360644583 1065718784 /nfs/dbraw/zinc/71/87/84/1065718784.db2.gz BEWZINGJJPMTHG-DENIHFKCSA-N 1 0 468.596 4.875 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 ZINC001360644755 1065719295 /nfs/dbraw/zinc/71/92/95/1065719295.db2.gz CETLELRTWCLWFN-RBBKRZOGSA-N 1 0 469.674 4.695 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001360644699 1065719395 /nfs/dbraw/zinc/71/93/95/1065719395.db2.gz BFSVHZKFIDRJBK-XLIONFOSSA-N 1 0 475.563 4.587 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 ZINC001360644786 1065719507 /nfs/dbraw/zinc/71/95/07/1065719507.db2.gz CPNHBMWGMCUGSA-NQIIRXRSSA-N 1 0 454.569 4.951 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 ZINC001360644756 1065719556 /nfs/dbraw/zinc/71/95/56/1065719556.db2.gz CETLELRTWCLWFN-UNMCSNQZSA-N 1 0 469.674 4.695 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 ZINC001360644969 1065719876 /nfs/dbraw/zinc/71/98/76/1065719876.db2.gz FAOQVDCKYVWZEN-HKBOAZHASA-N 1 0 475.641 4.537 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001360645785 1065721195 /nfs/dbraw/zinc/72/11/95/1065721195.db2.gz LKGMQHBAVPVYIV-FXAWDEMLSA-N 1 0 493.599 4.827 20 0 JJADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001360682260 1065735287 /nfs/dbraw/zinc/73/52/87/1065735287.db2.gz QZMPXRWPQDJNRS-IBGZPJMESA-N 1 0 455.484 4.633 20 0 JJADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC001360697904 1065738993 /nfs/dbraw/zinc/73/89/93/1065738993.db2.gz RKLULLNJJIUMGX-LBSLPOPVSA-N 1 0 451.920 4.613 20 0 JJADRO C[C@@](O)(C1CCN(c2nnc(-c3ccccc3F)n2CCCCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001360722256 1065748663 /nfs/dbraw/zinc/74/86/63/1065748663.db2.gz MSJAMHBVOHGACX-XMMPIXPASA-N 1 0 497.581 4.880 20 0 JJADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CCc1nc2cc(Br)ccc2s1 ZINC001438750831 1065749553 /nfs/dbraw/zinc/74/95/53/1065749553.db2.gz UCJRJJPZSVOPDQ-UHFFFAOYSA-N 1 0 452.462 4.818 20 0 JJADRO CCc1nnc(N2CCC[C@@H]2c2ccc(OC)cc2OC)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001546510659 1065750024 /nfs/dbraw/zinc/75/00/24/1065750024.db2.gz KAFWTEHXBDBJLC-ZFGGDYGUSA-N 1 0 469.674 4.957 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360727018 1065753954 /nfs/dbraw/zinc/75/39/54/1065753954.db2.gz LIMRRVJDKYDPCM-VWLOTQADSA-N 1 0 460.066 4.850 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001360734730 1065762495 /nfs/dbraw/zinc/76/24/95/1065762495.db2.gz CRVPLJMNCZAIAZ-LPHOPBHVSA-N 1 0 458.393 4.699 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)CCCCCNC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001360735349 1065763815 /nfs/dbraw/zinc/76/38/15/1065763815.db2.gz PKSBZOVTDLPYOW-RDGATRHJSA-N 1 0 456.675 4.690 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)CCCCCNC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001360735348 1065764023 /nfs/dbraw/zinc/76/40/23/1065764023.db2.gz PKSBZOVTDLPYOW-RCZVLFRGSA-N 1 0 456.675 4.690 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+]1Cc1ccccc1 ZINC001360735396 1065764090 /nfs/dbraw/zinc/76/40/90/1065764090.db2.gz RDPPSQANBKCLLE-VQIMIIECSA-N 1 0 456.384 4.644 20 0 JJADRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 ZINC001438909121 1065765130 /nfs/dbraw/zinc/76/51/30/1065765130.db2.gz FOQRWKIPAHIJHB-UHFFFAOYSA-N 1 0 454.636 4.531 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H]2CCSC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360736752 1065765807 /nfs/dbraw/zinc/76/58/07/1065765807.db2.gz HAGWCZANNQZAKY-QUCCMNQESA-N 1 0 461.651 4.621 20 0 JJADRO CCOC(=O)c1csc(CC2CCN(C(=O)c3ccc(C[N@H+](CC)C(C)C)cc3)CC2)n1 ZINC001438922980 1065767354 /nfs/dbraw/zinc/76/73/54/1065767354.db2.gz SPWQQYXLLHXEMA-UHFFFAOYSA-N 1 0 457.640 4.645 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001360740159 1065772999 /nfs/dbraw/zinc/77/29/99/1065772999.db2.gz CIZNNTKSDLCVIS-PMACEKPBSA-N 1 0 473.637 4.825 20 0 JJADRO CO[C@@H](C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(Br)s1 ZINC001438987719 1065774297 /nfs/dbraw/zinc/77/42/97/1065774297.db2.gz UVEOJGCDRQMIMI-FXAWDEMLSA-N 1 0 451.430 4.711 20 0 JJADRO CC(C)[NH+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C ZINC001360742268 1065777857 /nfs/dbraw/zinc/77/78/57/1065777857.db2.gz WPWXUPRMDVYTOO-PMACEKPBSA-N 1 0 461.626 4.680 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001360743460 1065779200 /nfs/dbraw/zinc/77/92/00/1065779200.db2.gz FJHXEKDQSVXZAP-WOJBJXKFSA-N 1 0 455.578 4.874 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCCS1 ZINC001360744804 1065783134 /nfs/dbraw/zinc/78/31/34/1065783134.db2.gz AWZXCWDBHWYZHW-WIYYLYMNSA-N 1 0 461.651 4.763 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001360745234 1065783887 /nfs/dbraw/zinc/78/38/87/1065783887.db2.gz IAUPTXWCLFCFTB-IRXDYDNUSA-N 1 0 469.527 4.820 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001360748552 1065790369 /nfs/dbraw/zinc/79/03/69/1065790369.db2.gz BGFJHSIRLNCHBU-REWPJTCUSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360749996 1065793569 /nfs/dbraw/zinc/79/35/69/1065793569.db2.gz RWZSAKZMHVTKEF-GOHWNWGWSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1Cc1cccs1)[NH+](C)C ZINC001360750269 1065794589 /nfs/dbraw/zinc/79/45/89/1065794589.db2.gz VKAKGWUSDOPDAN-HBFSDRIKSA-N 1 0 457.619 4.780 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001439223995 1065800645 /nfs/dbraw/zinc/80/06/45/1065800645.db2.gz JUHPENTVKNYRHS-LLVKDONJSA-N 1 0 450.427 4.885 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[NH+]1CCCCC1 ZINC001360754449 1065805065 /nfs/dbraw/zinc/80/50/65/1065805065.db2.gz UXCIJORXSGTHIL-KRWDZBQOSA-N 1 0 492.455 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCc1ccccc1F ZINC001545921624 1065806656 /nfs/dbraw/zinc/80/66/56/1065806656.db2.gz ZSIMXERKBNPWHT-UHFFFAOYSA-N 1 0 498.691 4.669 20 0 JJADRO O=C(Cc1c[nH]c2cc(Br)ccc12)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439272733 1065808546 /nfs/dbraw/zinc/80/85/46/1065808546.db2.gz KMXGVAFYIFYOER-UYAOXDASSA-N 1 0 480.328 4.652 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCOCC[NH+](C)C ZINC001360755901 1065811685 /nfs/dbraw/zinc/81/16/85/1065811685.db2.gz LEFIDOSWAIOGPO-IBGZPJMESA-N 1 0 476.065 4.832 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001360756232 1065814440 /nfs/dbraw/zinc/81/44/40/1065814440.db2.gz QTVLLYCIWAXBGI-WOJBJXKFSA-N 1 0 490.092 4.791 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cccs2)n1CC[NH+]1CCSCC1 ZINC001360756493 1065815058 /nfs/dbraw/zinc/81/50/58/1065815058.db2.gz VLTYJQNFSXKBJH-GOSISDBHSA-N 1 0 492.114 4.861 20 0 JJADRO CCOc1cc(C(=O)OC)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001439357031 1065819211 /nfs/dbraw/zinc/81/92/11/1065819211.db2.gz NAQBNCUFEXZRPN-FUFSCUOVSA-N 1 0 472.585 4.900 20 0 JJADRO COC(=O)c1cc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1SC ZINC001439397630 1065824393 /nfs/dbraw/zinc/82/43/93/1065824393.db2.gz FZUBOBWVFYHARK-NRFANRHFSA-N 1 0 452.498 4.588 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCOCC[NH+](C)C ZINC001360759063 1065827185 /nfs/dbraw/zinc/82/71/85/1065827185.db2.gz XOSUSHHCQQKWAE-QFQXNSOFSA-N 1 0 488.076 4.976 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC(C)(C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001360759214 1065828741 /nfs/dbraw/zinc/82/87/41/1065828741.db2.gz YWYRHSIWHGAKFN-TZIWHRDSSA-N 1 0 476.065 4.545 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CC[N@@H+]1CCC[C@H]1C ZINC001360760708 1065834005 /nfs/dbraw/zinc/83/40/05/1065834005.db2.gz ROWGSMUCONFMNS-CEXWTWQISA-N 1 0 462.038 4.560 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001360760988 1065835575 /nfs/dbraw/zinc/83/55/75/1065835575.db2.gz WLURQCRBIPULEQ-MHECFPHRSA-N 1 0 490.073 4.571 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360762851 1065841591 /nfs/dbraw/zinc/84/15/91/1065841591.db2.gz LXUFFOQSOSFKOS-ZCNNSNEGSA-N 1 0 476.065 4.807 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCSCC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360763484 1065843593 /nfs/dbraw/zinc/84/35/93/1065843593.db2.gz WZZVHJRKVYGEMI-OXQOHEQNSA-N 1 0 478.087 4.989 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CCOCC2)C1 ZINC001360765016 1065847455 /nfs/dbraw/zinc/84/74/55/1065847455.db2.gz JLQAHLNPLHCJHD-IFMALSPDSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360765303 1065849173 /nfs/dbraw/zinc/84/91/73/1065849173.db2.gz OYGIJGAJAVVGBK-BHDDXSALSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360765290 1065849204 /nfs/dbraw/zinc/84/92/04/1065849204.db2.gz OQXWGVUFORYYAO-CZTZKLFOSA-N 1 0 487.645 4.927 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccco2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360765416 1065850018 /nfs/dbraw/zinc/85/00/18/1065850018.db2.gz QOOGKPVNFYRCNR-IBGZPJMESA-N 1 0 455.578 4.909 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCCO2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001360765559 1065850565 /nfs/dbraw/zinc/85/05/65/1065850565.db2.gz TWFYLAWXFFCFDS-FSSWDIPSSA-N 1 0 473.637 4.827 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360767237 1065855462 /nfs/dbraw/zinc/85/54/62/1065855462.db2.gz MCPQZWGGEANSFE-VQTJNVASSA-N 1 0 473.637 4.825 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001360769169 1065860622 /nfs/dbraw/zinc/86/06/22/1065860622.db2.gz FDQDBBYITXALIN-KNQAVFIVSA-N 1 0 473.637 4.540 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C ZINC001439699707 1065860787 /nfs/dbraw/zinc/86/07/87/1065860787.db2.gz DTSYRNJVURLEGI-VNSJUHMKSA-N 1 0 477.649 4.842 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1)[N@H+](C)C1CC1 ZINC001360769618 1065862338 /nfs/dbraw/zinc/86/23/38/1065862338.db2.gz LDSINTJOBHYKRH-CABCVRRESA-N 1 0 468.404 4.939 20 0 JJADRO CC(C)c1ncc(Br)c(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)n1 ZINC001439707593 1065862593 /nfs/dbraw/zinc/86/25/93/1065862593.db2.gz HIQHVWJJSTYQCC-UHFFFAOYSA-N 1 0 457.416 4.590 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCSC2)CC1 ZINC001360769720 1065863193 /nfs/dbraw/zinc/86/31/93/1065863193.db2.gz MLXDJFFBMHQPKM-PZJWPPBQSA-N 1 0 475.678 4.867 20 0 JJADRO CC(C)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001360769726 1065863219 /nfs/dbraw/zinc/86/32/19/1065863219.db2.gz MMWWYALBGGLVNU-NRFANRHFSA-N 1 0 487.664 4.665 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360770352 1065865977 /nfs/dbraw/zinc/86/59/77/1065865977.db2.gz XOMCDCHGONBBKQ-HNAYVOBHSA-N 1 0 469.527 4.676 20 0 JJADRO CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001360772260 1065869636 /nfs/dbraw/zinc/86/96/36/1065869636.db2.gz AOFHZLCXDUHUFR-HXUWFJFHSA-N 1 0 473.637 4.540 20 0 JJADRO COCCOCc1ccc(C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001439758829 1065871891 /nfs/dbraw/zinc/87/18/91/1065871891.db2.gz VGUWEWDQFVAKPM-LMSSTIIKSA-N 1 0 458.602 4.638 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001360774013 1065872747 /nfs/dbraw/zinc/87/27/47/1065872747.db2.gz NDTHSWNXZDVWQX-OAHLLOKOSA-N 1 0 498.550 4.611 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360774481 1065873999 /nfs/dbraw/zinc/87/39/99/1065873999.db2.gz NJXGVQUMAKFLSE-SQNIBIBYSA-N 1 0 469.527 4.820 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCc3ccc(Cl)nc3C2)n1CC(C)(C)C[NH+](C)C ZINC001360775388 1065877305 /nfs/dbraw/zinc/87/73/05/1065877305.db2.gz SUHHASCDWQWUCL-KRWDZBQOSA-N 1 0 487.023 4.756 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC(C)(C)C2)n1CCC[NH+]1CCCCC1 ZINC001360779261 1065886301 /nfs/dbraw/zinc/88/63/01/1065886301.db2.gz VWYZFRGALFDZPD-IBGZPJMESA-N 1 0 461.651 4.765 20 0 JJADRO C[C@@H](OCCCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001360780227 1065888925 /nfs/dbraw/zinc/88/89/25/1065888925.db2.gz FYIKMJONBYOGOU-HSZRJFAPSA-N 1 0 476.669 4.742 20 0 JJADRO CCOc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(OCC)c1OCC ZINC001440045519 1065906646 /nfs/dbraw/zinc/90/66/46/1065906646.db2.gz LDZPMIVKXHJFCJ-YFNKSVMNSA-N 1 0 466.622 4.913 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001440137587 1065914881 /nfs/dbraw/zinc/91/48/81/1065914881.db2.gz BWUJVBQNSKXLTI-GMAHTHKFSA-N 1 0 455.599 4.703 20 0 JJADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001360803639 1065914721 /nfs/dbraw/zinc/91/47/21/1065914721.db2.gz HSXWPVGHYRCIRT-UHFFFAOYSA-N 1 0 457.452 4.911 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)c1ccccc1 ZINC001440137560 1065915009 /nfs/dbraw/zinc/91/50/09/1065915009.db2.gz BDVPSPQLKASFFN-IBGZPJMESA-N 1 0 457.423 4.600 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)c1cc(I)ccc1C)c1ccccc1 ZINC001440142638 1065915958 /nfs/dbraw/zinc/91/59/58/1065915958.db2.gz PSPKYFMDDYDGST-FQEVSTJZSA-N 1 0 450.364 4.803 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)c1ccccc1 ZINC001440146088 1065916431 /nfs/dbraw/zinc/91/64/31/1065916431.db2.gz YNHYNOWIXZJUKC-KAYWLYCHSA-N 1 0 455.602 4.973 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001440143734 1065916449 /nfs/dbraw/zinc/91/64/49/1065916449.db2.gz SEORKTBFKOZYPN-SHQCIBLASA-N 1 0 451.611 4.625 20 0 JJADRO CC1(C)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCSCC2)C1 ZINC001360806497 1065918879 /nfs/dbraw/zinc/91/88/79/1065918879.db2.gz RFQMCWCAIXIDSS-UHFFFAOYSA-N 1 0 454.471 4.927 20 0 JJADRO CC(C)(C)[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808286 1065921570 /nfs/dbraw/zinc/92/15/70/1065921570.db2.gz JHTFBIOFPYVZMX-XMMPIXPASA-N 1 0 467.702 4.827 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](C(F)F)C2)C1 ZINC001360808854 1065922597 /nfs/dbraw/zinc/92/25/97/1065922597.db2.gz VUGCBPULWNQRFK-KRWDZBQOSA-N 1 0 452.981 4.597 20 0 JJADRO CC(C)(C)c1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001360813833 1065926427 /nfs/dbraw/zinc/92/64/27/1065926427.db2.gz DCVUCCWXDIHTAW-UHFFFAOYSA-N 1 0 453.675 4.981 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001360818995 1065932078 /nfs/dbraw/zinc/93/20/78/1065932078.db2.gz MUGHLTWKDBDYDL-HXUWFJFHSA-N 1 0 478.106 4.959 20 0 JJADRO C[NH+](C)C1(CNC(=O)c2cc(I)c(Cl)cc2Cl)CCCCC1 ZINC001440370044 1065933739 /nfs/dbraw/zinc/93/37/39/1065933739.db2.gz GZURUDMDRZCFPZ-UHFFFAOYSA-N 1 0 455.167 4.592 20 0 JJADRO CC1(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCCC2)CC(C)(C)O1 ZINC001360829625 1065941838 /nfs/dbraw/zinc/94/18/38/1065941838.db2.gz JJOSAWBJZIIASW-UHFFFAOYSA-N 1 0 464.079 4.713 20 0 JJADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001440508097 1065945511 /nfs/dbraw/zinc/94/55/11/1065945511.db2.gz JYARNTCDMGAMOQ-GBXCKJPGSA-N 1 0 451.611 4.669 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccs1 ZINC001440530136 1065948324 /nfs/dbraw/zinc/94/83/24/1065948324.db2.gz MIKOIEWOBFQZFU-MRXNPFEDSA-N 1 0 453.395 4.847 20 0 JJADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(I)c(Cl)c1 ZINC001440534497 1065948349 /nfs/dbraw/zinc/94/83/49/1065948349.db2.gz DTYVJYIIHYIHTI-GOSISDBHSA-N 1 0 454.739 4.512 20 0 JJADRO CC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)[NH+](CC)CC ZINC001440562235 1065949362 /nfs/dbraw/zinc/94/93/62/1065949362.db2.gz CVRTVZYWBDXDDJ-GOSISDBHSA-N 1 0 458.411 4.853 20 0 JJADRO Cc1sc(C)c(Cn2c([C@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1Br ZINC001360848776 1065957885 /nfs/dbraw/zinc/95/78/85/1065957885.db2.gz DUGPGFZNIPCTJF-KRWDZBQOSA-N 1 0 496.519 4.582 20 0 JJADRO CCc1ccc([C@H](CNC(=O)[C@@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001440672463 1065961753 /nfs/dbraw/zinc/96/17/53/1065961753.db2.gz NATONCOOLZACCM-ZEQRLZLVSA-N 1 0 451.611 4.643 20 0 JJADRO Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001440673958 1065962294 /nfs/dbraw/zinc/96/22/94/1065962294.db2.gz GVSRFARAZBNOAF-QGZVFWFLSA-N 1 0 455.546 4.532 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001440675829 1065962911 /nfs/dbraw/zinc/96/29/11/1065962911.db2.gz LYWCIIWDCDZXDT-XMMPIXPASA-N 1 0 450.652 4.804 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001360851283 1065964259 /nfs/dbraw/zinc/96/42/59/1065964259.db2.gz GBHSFBQNDDIXQR-IBGZPJMESA-N 1 0 473.444 4.584 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001360851711 1065965466 /nfs/dbraw/zinc/96/54/66/1065965466.db2.gz PWIPFBNIBWTYSF-LBPRGKRZSA-N 1 0 489.281 4.598 20 0 JJADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cnn(-c3cccc(Br)c3)c2C)cc1 ZINC001440683504 1065965974 /nfs/dbraw/zinc/96/59/74/1065965974.db2.gz KGZCEEHVZKDESV-UHFFFAOYSA-N 1 0 455.400 4.715 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccccn3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001360852001 1065966450 /nfs/dbraw/zinc/96/64/50/1065966450.db2.gz VAHAGXVQTPQUDQ-OALUTQOASA-N 1 0 487.490 4.977 20 0 JJADRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OCc1ccccc1Cl ZINC001440702918 1065967927 /nfs/dbraw/zinc/96/79/27/1065967927.db2.gz FQJFKEBWLKGBQQ-JOCHJYFZSA-N 1 0 450.966 4.932 20 0 JJADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001440708634 1065968624 /nfs/dbraw/zinc/96/86/24/1065968624.db2.gz HBAQLTJARWPGSH-HXUWFJFHSA-N 1 0 459.428 4.557 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001360853551 1065969959 /nfs/dbraw/zinc/96/99/59/1065969959.db2.gz GVOHFZYRADBJIP-OALUTQOASA-N 1 0 487.490 4.511 20 0 JJADRO C[C@@H](C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001440714190 1065970391 /nfs/dbraw/zinc/97/03/91/1065970391.db2.gz OFLDZAWLYNGQCE-CYFREDJKSA-N 1 0 451.014 4.622 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)Cc1ccccc1 ZINC001440735285 1065972873 /nfs/dbraw/zinc/97/28/73/1065972873.db2.gz BEQODEWZUMLJAK-FQEVSTJZSA-N 1 0 451.489 4.567 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360854458 1065973493 /nfs/dbraw/zinc/97/34/93/1065973493.db2.gz ZSYYBYOATUHRSV-ICSRJNTNSA-N 1 0 466.468 4.663 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)Cc1ccccc1 ZINC001440738628 1065973789 /nfs/dbraw/zinc/97/37/89/1065973789.db2.gz NRNUKEIHJMJQJP-VXKWHMMOSA-N 1 0 450.652 4.582 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCCCC2)CC1 ZINC001360854459 1065973950 /nfs/dbraw/zinc/97/39/50/1065973950.db2.gz WSEXVGSDYGBIAX-UHFFFAOYSA-N 1 0 480.401 4.512 20 0 JJADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(C)c(Cl)cc1I ZINC001440748684 1065975502 /nfs/dbraw/zinc/97/55/02/1065975502.db2.gz UPPRLSYEUZWYEA-UHFFFAOYSA-N 1 0 458.727 4.576 20 0 JJADRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440746490 1065975572 /nfs/dbraw/zinc/97/55/72/1065975572.db2.gz LBMUCNNNFJNHSJ-VQTJNVASSA-N 1 0 451.558 4.507 20 0 JJADRO C[C@@H](CC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc(F)c1 ZINC001440749560 1065975951 /nfs/dbraw/zinc/97/59/51/1065975951.db2.gz WPLCAWVSBAZZJV-SFHVURJKSA-N 1 0 451.508 4.667 20 0 JJADRO CC1=C(Br)CN(c2nnc(COc3ccccc3F)n2CCC[NH+]2CCCCC2)CC1 ZINC001360857891 1065976372 /nfs/dbraw/zinc/97/63/72/1065976372.db2.gz PZJIAHOMPSFITR-UHFFFAOYSA-N 1 0 492.437 4.751 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001360862107 1065979781 /nfs/dbraw/zinc/97/97/81/1065979781.db2.gz FTRSJZCWJUYCFM-QFIPXVFZSA-N 1 0 489.668 4.686 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1C ZINC001360862286 1065980444 /nfs/dbraw/zinc/98/04/44/1065980444.db2.gz LNVIGPUOEHPNGC-WTYVLRPYSA-N 1 0 489.668 4.542 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001360862427 1065980663 /nfs/dbraw/zinc/98/06/63/1065980663.db2.gz QNEGHFFBDUXYGA-FQEVSTJZSA-N 1 0 454.663 4.532 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@H](CC(C)C)[NH+](C)C)c1C ZINC001360865183 1065983798 /nfs/dbraw/zinc/98/37/98/1065983798.db2.gz UEEYJQKBWDAODZ-QFIPXVFZSA-N 1 0 454.663 4.604 20 0 JJADRO COc1cc(/C=C(/C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c2ccccc2)ccc1O ZINC001440863816 1065984689 /nfs/dbraw/zinc/98/46/89/1065984689.db2.gz FCFXKSRJUBWKKW-HKOYGPOVSA-N 1 0 457.574 4.640 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H]3CCSC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360865765 1065985798 /nfs/dbraw/zinc/98/57/98/1065985798.db2.gz IEVJWBDBDRUCTE-FCHUYYIVSA-N 1 0 457.688 4.853 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C1CC1)[NH+](C)C ZINC001360865799 1065986047 /nfs/dbraw/zinc/98/60/47/1065986047.db2.gz ITIOSIMTUJAHLE-NZQKXSOJSA-N 1 0 451.615 4.913 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1C ZINC001360865894 1065986547 /nfs/dbraw/zinc/98/65/47/1065986547.db2.gz JYWDIPGQBVTRLT-KTJVCJKDSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H](C)[NH+](C)C)c1C ZINC001360865987 1065987007 /nfs/dbraw/zinc/98/70/07/1065987007.db2.gz KYSHCWFZWQJSRK-HKUYNNGSSA-N 1 0 457.022 4.670 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(C)(C)C)n2C[C@]2([NH+](C)C)CCSC2)c1C ZINC001360866159 1065987303 /nfs/dbraw/zinc/98/73/03/1065987303.db2.gz NMRFOWRDXXTGFV-NBGIEHNGSA-N 1 0 459.704 4.955 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1)c1ccccc1Cl ZINC001440874128 1065987442 /nfs/dbraw/zinc/98/74/42/1065987442.db2.gz GTKNHGIMSXVZNV-PMACEKPBSA-N 1 0 452.357 4.825 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)c1cccc(OC)c1 ZINC001440876427 1065987633 /nfs/dbraw/zinc/98/76/33/1065987633.db2.gz KITATDMADJWSCB-BXXSPATCSA-N 1 0 457.412 4.543 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1)c1ccccc1Cl ZINC001440874138 1065987668 /nfs/dbraw/zinc/98/76/68/1065987668.db2.gz GTKNHGIMSXVZNV-VQTJNVASSA-N 1 0 452.357 4.825 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1cccc(OC)c1 ZINC001440881225 1065988614 /nfs/dbraw/zinc/98/86/14/1065988614.db2.gz QKZJEKCGNDNMHH-QHCPKHFHSA-N 1 0 455.599 4.784 20 0 JJADRO COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(CC[NH+](C)C)cc1)CC2 ZINC001440903513 1065992822 /nfs/dbraw/zinc/99/28/22/1065992822.db2.gz VVVRTYAZUDSSSL-RUZDIDTESA-N 1 0 450.604 4.657 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CCC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC001360868648 1065993236 /nfs/dbraw/zinc/99/32/36/1065993236.db2.gz JJBOPQBXCBRTGB-QNWVGRARSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)c1C ZINC001360868695 1065993449 /nfs/dbraw/zinc/99/34/49/1065993449.db2.gz AOANYCKYBGRGJX-YFVAEKQCSA-N 1 0 495.590 4.675 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)c1C ZINC001360868924 1065995011 /nfs/dbraw/zinc/99/50/11/1065995011.db2.gz CGLDXYOREJFFGX-UPVQGACJSA-N 1 0 499.700 4.540 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1C ZINC001360869003 1065995400 /nfs/dbraw/zinc/99/54/00/1065995400.db2.gz LSHMJAGTOGQINK-QTJGBDASSA-N 1 0 469.674 4.628 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001360869086 1065996064 /nfs/dbraw/zinc/99/60/64/1065996064.db2.gz MAKIQCLFFKSXQQ-PKTZIBPZSA-N 1 0 477.657 4.582 20 0 JJADRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001440967010 1065997382 /nfs/dbraw/zinc/99/73/82/1065997382.db2.gz GOGGXPPSQWZEGK-UHFFFAOYSA-N 1 0 454.924 4.576 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3nccs3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360869706 1065998661 /nfs/dbraw/zinc/99/86/61/1065998661.db2.gz QKLULLWMBFLAGZ-RZUBCFFCSA-N 1 0 498.697 4.627 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC3CC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC001360869877 1065999708 /nfs/dbraw/zinc/99/97/08/1065999708.db2.gz RLFCFQXPBVYUKM-QFIPXVFZSA-N 1 0 469.674 4.507 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2CCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001360869888 1066000133 /nfs/dbraw/zinc/00/01/33/1066000133.db2.gz RQGPWQPQPULWLN-IFMALSPDSA-N 1 0 466.630 4.924 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCOCCC(C)C)c1C ZINC001360870022 1066000764 /nfs/dbraw/zinc/00/07/64/1066000764.db2.gz LYAKDBBABPHZQQ-QPTUXGOLSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2CC2([NH+](C)C)CCCC2)c1C ZINC001360870072 1066000780 /nfs/dbraw/zinc/00/07/80/1066000780.db2.gz UBIRHCPDYJEIOR-FQEVSTJZSA-N 1 0 452.603 4.534 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C(C)C)C3)n2CCCC[NH+]2CCOCC2)c1C ZINC001360870223 1066001552 /nfs/dbraw/zinc/00/15/52/1066001552.db2.gz NPXRODRCCSQVEX-ZEQRLZLVSA-N 1 0 469.674 4.630 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccoc3)n2C[C@H](C)C[NH+]2CCCC2)c1C ZINC001360870351 1066001945 /nfs/dbraw/zinc/00/19/45/1066001945.db2.gz XGVQCVOMTQWIRR-KNQAVFIVSA-N 1 0 451.615 4.996 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)c1C ZINC001360871660 1066006068 /nfs/dbraw/zinc/00/60/68/1066006068.db2.gz ZAACFVGHQRIJJO-OREGWCPLSA-N 1 0 469.674 4.507 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCOc2ncccc2F)c1C ZINC001360872795 1066006876 /nfs/dbraw/zinc/00/68/76/1066006876.db2.gz APOIPHJUJGEVFP-OAQYLSRUSA-N 1 0 496.631 4.615 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360873253 1066008422 /nfs/dbraw/zinc/00/84/22/1066008422.db2.gz DFVFPLFZJMLJLL-LXFBAYGMSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)c1C ZINC001360873814 1066010774 /nfs/dbraw/zinc/01/07/74/1066010774.db2.gz IGBPNTOKUXIXTR-QPTUXGOLSA-N 1 0 469.674 4.628 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001360873927 1066010901 /nfs/dbraw/zinc/01/09/01/1066010901.db2.gz LKLWQAGDZFLKGO-WBVHZDCISA-N 1 0 452.430 4.884 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)c1C ZINC001360873982 1066011818 /nfs/dbraw/zinc/01/18/18/1066011818.db2.gz JBDHCMWADAHEMV-TWLCBMPQSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC(C)(C)O)c1C ZINC001360874195 1066012260 /nfs/dbraw/zinc/01/22/60/1066012260.db2.gz KOAWRULKOVHSJP-ZEQRLZLVSA-N 1 0 483.701 4.754 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCCC1 ZINC001441220161 1066016267 /nfs/dbraw/zinc/01/62/67/1066016267.db2.gz BMEVUYKMWUPFQS-BJKOFHAPSA-N 1 0 457.659 4.879 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@](C)(O)c2ccco2)c1C ZINC001360875438 1066017810 /nfs/dbraw/zinc/01/78/10/1066017810.db2.gz ZVOBLGFLYLNISC-IDISGSTGSA-N 1 0 481.641 4.502 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1CC[N@H+](C)[C@@H](C)CC ZINC001545939585 1066018119 /nfs/dbraw/zinc/01/81/19/1066018119.db2.gz GCKJQEDWQWKPBO-SFHVURJKSA-N 1 0 497.713 4.520 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCOC(C)C)c1C ZINC001360875499 1066018209 /nfs/dbraw/zinc/01/82/09/1066018209.db2.gz UFQTURJNKKKTCY-GOTSBHOMSA-N 1 0 455.647 4.525 20 0 JJADRO CN1CC[N@H+](CCCNC(=O)c2cc3ccccc3cc2OC(F)F)[C@H](c2ccccc2)C1 ZINC001441240258 1066018509 /nfs/dbraw/zinc/01/85/09/1066018509.db2.gz IJTCVEVPVOOEQW-QHCPKHFHSA-N 1 0 453.533 4.550 20 0 JJADRO CC[C@@H](CNC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)[N@@H+]1CCc2ccccc2C1 ZINC001441244681 1066019757 /nfs/dbraw/zinc/01/97/57/1066019757.db2.gz RPACTQPALAVEIG-FQEVSTJZSA-N 1 0 452.002 4.611 20 0 JJADRO Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001441249768 1066020676 /nfs/dbraw/zinc/02/06/76/1066020676.db2.gz FFSQVVTUECKVLT-VWLOTQADSA-N 1 0 450.627 4.834 20 0 JJADRO Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001441249698 1066020729 /nfs/dbraw/zinc/02/07/29/1066020729.db2.gz FFSQVVTUECKVLT-RUZDIDTESA-N 1 0 450.627 4.834 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CC[C@@H](F)C2)c1C ZINC001360876871 1066021428 /nfs/dbraw/zinc/02/14/28/1066021428.db2.gz CFHCHHGAFWCOKZ-XPWALMASSA-N 1 0 457.638 4.951 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCCOC(C)C)c1C ZINC001360876877 1066021505 /nfs/dbraw/zinc/02/15/05/1066021505.db2.gz CHTIHRAXELAYLJ-JOCHJYFZSA-N 1 0 455.647 4.525 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc4cc(C)cc(Br)c4o3)cc2)CC1 ZINC001441311518 1066025030 /nfs/dbraw/zinc/02/50/30/1066025030.db2.gz MOVDMOQZMMPGTR-UHFFFAOYSA-N 1 0 456.384 4.894 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CCCc3ccccc3Br)cc2)C[C@H](C)O1 ZINC001441317399 1066026600 /nfs/dbraw/zinc/02/66/00/1066026600.db2.gz GHNGGNSLOHUPMJ-KDURUIRLSA-N 1 0 459.428 4.697 20 0 JJADRO COc1cccc(C(C)(C)C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001441317361 1066026640 /nfs/dbraw/zinc/02/66/40/1066026640.db2.gz ROWKQVXQCQPGBJ-UHFFFAOYSA-N 1 0 457.618 4.611 20 0 JJADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1F ZINC001441320031 1066027185 /nfs/dbraw/zinc/02/71/85/1066027185.db2.gz KJNAMTPAQMRYNC-UHFFFAOYSA-N 1 0 457.899 4.830 20 0 JJADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 ZINC001441319100 1066027259 /nfs/dbraw/zinc/02/72/59/1066027259.db2.gz WITCCXDSFLCQRQ-UHFFFAOYSA-N 1 0 456.364 4.539 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC4(CCCC4)C3)n2CCC[N@@H+](C)C(C)C)c1C ZINC001360878789 1066027388 /nfs/dbraw/zinc/02/73/88/1066027388.db2.gz AEKOQCMSFJDQCK-HSZRJFAPSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC001360878871 1066027832 /nfs/dbraw/zinc/02/78/32/1066027832.db2.gz BOOJLVXDRWFMKD-CXFRRJOOSA-N 1 0 469.674 4.628 20 0 JJADRO O=C(CCOc1cccc(Br)c1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001441326214 1066028370 /nfs/dbraw/zinc/02/83/70/1066028370.db2.gz ITXSGJIGKOUGSK-FQEVSTJZSA-N 1 0 451.792 4.825 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001441339246 1066030409 /nfs/dbraw/zinc/03/04/09/1066030409.db2.gz GULCOBHIGCOKOT-HMXCVIKNSA-N 1 0 450.023 4.677 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC001360879498 1066030833 /nfs/dbraw/zinc/03/08/33/1066030833.db2.gz LSGHPGVNLXJXHJ-MQSCRBSSSA-N 1 0 499.700 4.538 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc3cncc(Br)c3n2)cc1 ZINC001441355851 1066032918 /nfs/dbraw/zinc/03/29/18/1066032918.db2.gz BXSIDIVPYVVXGJ-INIZCTEOSA-N 1 0 453.384 4.697 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001441357304 1066033104 /nfs/dbraw/zinc/03/31/04/1066033104.db2.gz PZSGCGJWJSZTBC-NFBKMPQASA-N 1 0 455.643 4.857 20 0 JJADRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)O2 ZINC001441358289 1066033674 /nfs/dbraw/zinc/03/36/74/1066033674.db2.gz SQSODEUGEDRLRU-WRHNGFHOSA-N 1 0 450.623 4.949 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COCCc2ccc(Br)cc2)cc1 ZINC001441361180 1066034459 /nfs/dbraw/zinc/03/44/59/1066034459.db2.gz XZQXIFQUKOBNDP-IBGZPJMESA-N 1 0 459.428 4.699 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC001441442051 1066041376 /nfs/dbraw/zinc/04/13/76/1066041376.db2.gz DASXLYUMTRQADL-OAQYLSRUSA-N 1 0 450.366 4.846 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)cc2)C1 ZINC001441461497 1066042629 /nfs/dbraw/zinc/04/26/29/1066042629.db2.gz JFPXDNHHTRBADO-KDURUIRLSA-N 1 0 455.599 4.712 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC001441458154 1066042801 /nfs/dbraw/zinc/04/28/01/1066042801.db2.gz IRHSUPOTIOOYBO-LJQANCHMSA-N 1 0 452.624 4.872 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2Br)cc1 ZINC001441461947 1066043063 /nfs/dbraw/zinc/04/30/63/1066043063.db2.gz RVHPSBWSUOKIAC-UHFFFAOYSA-N 1 0 457.372 4.608 20 0 JJADRO CC1=C(C)CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001360891904 1066043509 /nfs/dbraw/zinc/04/35/09/1066043509.db2.gz GINTYOICLCLZGN-SFHVURJKSA-N 1 0 474.447 4.649 20 0 JJADRO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001360892148 1066043919 /nfs/dbraw/zinc/04/39/19/1066043919.db2.gz NDDWPPAOPJNLMA-JIPXPUAJSA-N 1 0 451.659 4.957 20 0 JJADRO Cc1nc([C@H]2CCCN(c3nnc(-c4ccc[nH]4)n3CC[NH+](C(C)C)C(C)C)C2)sc1C ZINC001360893979 1066046044 /nfs/dbraw/zinc/04/60/44/1066046044.db2.gz CRJNISUYMLSAAP-FQEVSTJZSA-N 1 0 455.676 4.849 20 0 JJADRO Cc1nc(CCn2c(C(C)C)nnc2N(C)C2CC[NH+](Cc3ccccc3)CC2)sc1C ZINC001360896235 1066050114 /nfs/dbraw/zinc/05/01/14/1066050114.db2.gz YDAFIBPUPOZXIV-UHFFFAOYSA-N 1 0 452.672 4.818 20 0 JJADRO Cc1nc(CCn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](CC(C)C)CC2)sc1C ZINC001360897541 1066050559 /nfs/dbraw/zinc/05/05/59/1066050559.db2.gz GGBXHZUYGFZIRT-UHFFFAOYSA-N 1 0 459.063 4.693 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1 ZINC001441561648 1066051085 /nfs/dbraw/zinc/05/10/85/1066051085.db2.gz OJFUUUMZAAENAZ-HUBZVCNYSA-N 1 0 454.574 4.866 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(I)c(Cl)c2)c1 ZINC001441618298 1066055090 /nfs/dbraw/zinc/05/50/90/1066055090.db2.gz BYCBSIBBMOYZGJ-UHFFFAOYSA-N 1 0 456.755 4.716 20 0 JJADRO Cc1nc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3ccc(F)cc3)CC2)sc1C ZINC001360904696 1066058413 /nfs/dbraw/zinc/05/84/13/1066058413.db2.gz MVWZZVSCDBYREN-UHFFFAOYSA-N 1 0 470.662 4.840 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc2c(Br)cccc2cn1 ZINC001441659805 1066058798 /nfs/dbraw/zinc/05/87/98/1066058798.db2.gz SIHBFOZBHSZVQY-UHFFFAOYSA-N 1 0 456.384 4.648 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H]2CCOC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001360908997 1066064784 /nfs/dbraw/zinc/06/47/84/1066064784.db2.gz UQUTWYBLQMPKBO-IRLDBZIGSA-N 1 0 482.698 4.826 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)Cc2ccon2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001360909186 1066065287 /nfs/dbraw/zinc/06/52/87/1066065287.db2.gz XNEOEOUXJRIPTK-NRFANRHFSA-N 1 0 479.654 4.978 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)Cc2ccon2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001360909188 1066065434 /nfs/dbraw/zinc/06/54/34/1066065434.db2.gz XNEOEOUXJRIPTK-OAQYLSRUSA-N 1 0 479.654 4.978 20 0 JJADRO Cc1sc(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)nc1-c1cccc(Cl)c1 ZINC001441738390 1066066167 /nfs/dbraw/zinc/06/61/67/1066066167.db2.gz AKFPYRHDXCYARD-INIZCTEOSA-N 1 0 453.008 4.555 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545944355 1066066777 /nfs/dbraw/zinc/06/67/77/1066066777.db2.gz FOOFGTFDACHGMT-XQBPLPMBSA-N 1 0 494.675 4.721 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001441793028 1066069877 /nfs/dbraw/zinc/06/98/77/1066069877.db2.gz MYEUIYFENSKLNJ-UHFFFAOYSA-N 1 0 456.562 4.714 20 0 JJADRO CC[NH+](CC)CCSCC(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 ZINC001441797322 1066070371 /nfs/dbraw/zinc/07/03/71/1066070371.db2.gz IWYGMTDRVJTWGG-UHFFFAOYSA-N 1 0 456.475 4.818 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc(F)cc1 ZINC001441827922 1066074446 /nfs/dbraw/zinc/07/44/46/1066074446.db2.gz XMORCROLDDZAPH-HXUWFJFHSA-N 1 0 458.331 4.808 20 0 JJADRO COc1cc([C@H](C)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1OCc1ccccc1 ZINC001441864962 1066075792 /nfs/dbraw/zinc/07/57/92/1066075792.db2.gz LYWYOPFRDYKQJC-CVDCTZTESA-N 1 0 454.636 4.669 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)[NH+]1CCCCC1 ZINC001441886935 1066078296 /nfs/dbraw/zinc/07/82/96/1066078296.db2.gz PXHUQASJKZWXOV-LJQANCHMSA-N 1 0 456.493 4.640 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)[NH+]1CCCCC1 ZINC001441886802 1066078327 /nfs/dbraw/zinc/07/83/27/1066078327.db2.gz PLQJZCLSQNQUCR-QFIPXVFZSA-N 1 0 455.574 4.776 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)[NH+]1CCCCC1 ZINC001441886929 1066078351 /nfs/dbraw/zinc/07/83/51/1066078351.db2.gz PXHUQASJKZWXOV-IBGZPJMESA-N 1 0 456.493 4.640 20 0 JJADRO Cc1c(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cnn1C ZINC001360929606 1066085514 /nfs/dbraw/zinc/08/55/14/1066085514.db2.gz KKADBRZBGROJSO-VXKWHMMOSA-N 1 0 497.663 4.604 20 0 JJADRO Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cnn1C ZINC001360929605 1066085643 /nfs/dbraw/zinc/08/56/43/1066085643.db2.gz KKADBRZBGROJSO-FGZHOGPDSA-N 1 0 497.663 4.604 20 0 JJADRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)([NH+](C)C)C1 ZINC001442076876 1066090190 /nfs/dbraw/zinc/09/01/90/1066090190.db2.gz BGJIPGIFKMKVAP-VFNWGFHPSA-N 1 0 456.940 4.844 20 0 JJADRO Cc1c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)nnn1-c1cccc(Cl)c1 ZINC001442080490 1066090545 /nfs/dbraw/zinc/09/05/45/1066090545.db2.gz QHJLOSGQXCVGER-UHFFFAOYSA-N 1 0 452.002 4.924 20 0 JJADRO CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001442082574 1066091749 /nfs/dbraw/zinc/09/17/49/1066091749.db2.gz ZPKINUGZZDVGAQ-REWPJTCUSA-N 1 0 459.594 4.840 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC[N@@H+]1C ZINC001360933774 1066092030 /nfs/dbraw/zinc/09/20/30/1066092030.db2.gz MKZGGXVSWSPWNC-LPHOPBHVSA-N 1 0 457.500 4.508 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001360934522 1066092519 /nfs/dbraw/zinc/09/25/19/1066092519.db2.gz BZZOUAVXQZRQQY-OAQYLSRUSA-N 1 0 450.974 4.834 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)C[NH+]2CCCC2)cnn1C ZINC001360934672 1066092818 /nfs/dbraw/zinc/09/28/18/1066092818.db2.gz HSLCERDRWOCBAC-INIZCTEOSA-N 1 0 476.456 4.662 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001360934889 1066094040 /nfs/dbraw/zinc/09/40/40/1066094040.db2.gz PVVBNRSGNCBZPJ-UHFFFAOYSA-N 1 0 489.487 4.841 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001442109524 1066094138 /nfs/dbraw/zinc/09/41/38/1066094138.db2.gz SLZMVNMSFDCOOF-JRFVFWCSSA-N 1 0 471.439 4.897 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001442110169 1066094618 /nfs/dbraw/zinc/09/46/18/1066094618.db2.gz AFAAHANBQNWMPY-UHFFFAOYSA-N 1 0 451.014 4.844 20 0 JJADRO CC[NH+]1CCC(CNC(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)CC1 ZINC001442116420 1066096487 /nfs/dbraw/zinc/09/64/87/1066096487.db2.gz HLDKPYQKGGMIIQ-UHFFFAOYSA-N 1 0 452.780 4.752 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 ZINC001442160470 1066098312 /nfs/dbraw/zinc/09/83/12/1066098312.db2.gz MFEPVTFZDPYESX-WXVAWEFUSA-N 1 0 457.574 4.784 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001360944766 1066099222 /nfs/dbraw/zinc/09/92/22/1066099222.db2.gz ITFUTKQHINMUAJ-GOSISDBHSA-N 1 0 456.635 4.530 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001360944677 1066099456 /nfs/dbraw/zinc/09/94/56/1066099456.db2.gz FKLCZJGGYSDKRL-MSOLQXFVSA-N 1 0 457.569 4.805 20 0 JJADRO Cc1sc(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)nc1-c1ccc(Cl)cc1 ZINC001442220729 1066103791 /nfs/dbraw/zinc/10/37/91/1066103791.db2.gz KZNNBMKWQKFZAL-UHFFFAOYSA-N 1 0 455.027 4.600 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001360949428 1066104254 /nfs/dbraw/zinc/10/42/54/1066104254.db2.gz GOERZEPGUVDSQE-QZTJIDSGSA-N 1 0 472.634 4.518 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360949448 1066104966 /nfs/dbraw/zinc/10/49/66/1066104966.db2.gz HFVKQBNFGBUGCP-KDURUIRLSA-N 1 0 486.661 4.766 20 0 JJADRO Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+](C)C2CCCC2)cnn1C ZINC001360949649 1066106244 /nfs/dbraw/zinc/10/62/44/1066106244.db2.gz OACYRSLLIRICML-UHFFFAOYSA-N 1 0 493.700 4.707 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c(=S)n3-c3ccccc3)cc2Cl)CC1 ZINC001442244104 1066107380 /nfs/dbraw/zinc/10/73/80/1066107380.db2.gz GYJZQJCBHCUKTP-UHFFFAOYSA-N 1 0 456.015 4.599 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001442247383 1066107924 /nfs/dbraw/zinc/10/79/24/1066107924.db2.gz BLTQRRLZQNSXPL-QKLQHJQFSA-N 1 0 452.039 4.779 20 0 JJADRO COc1nc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc2ccccc21 ZINC001360951943 1066109146 /nfs/dbraw/zinc/10/91/46/1066109146.db2.gz OLHBTAHDAQZRIQ-LJQANCHMSA-N 1 0 457.496 4.770 20 0 JJADRO CC[C@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)N(C)C(=O)OC(C)(C)C ZINC001442311760 1066115888 /nfs/dbraw/zinc/11/58/88/1066115888.db2.gz WIKOHFCSIYWFQF-MOPGFXCFSA-N 1 0 459.553 4.850 20 0 JJADRO C[C@H](CC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442344634 1066118556 /nfs/dbraw/zinc/11/85/56/1066118556.db2.gz UDEPHZZYSWSSEW-VWNXMTODSA-N 1 0 459.675 4.683 20 0 JJADRO CCc1cc(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)sc1-c1ccccc1 ZINC001442356677 1066119789 /nfs/dbraw/zinc/11/97/89/1066119789.db2.gz WYNHCOKJQUIWCP-UHFFFAOYSA-N 1 0 455.668 4.534 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1SCc1nc(C)no1 ZINC001360961414 1066120737 /nfs/dbraw/zinc/12/07/37/1066120737.db2.gz JBEWNVOMYCQLMR-OAQYLSRUSA-N 1 0 450.608 4.655 20 0 JJADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cnnn1-c1c(Cl)cccc1Cl ZINC001442385773 1066121934 /nfs/dbraw/zinc/12/19/34/1066121934.db2.gz NXRUTARXYWCMAT-UHFFFAOYSA-N 1 0 458.393 4.880 20 0 JJADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001442427258 1066126892 /nfs/dbraw/zinc/12/68/92/1066126892.db2.gz GITPVHZPPZIDAZ-DNVCBOLYSA-N 1 0 458.430 4.750 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(F)cc2n[nH]nc21)[NH+](C)C ZINC001442463133 1066128009 /nfs/dbraw/zinc/12/80/09/1066128009.db2.gz KDIFILRGGAEUEG-LJQANCHMSA-N 1 0 452.361 4.632 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nnc(-c2ccco2)o1)[NH+](C)C ZINC001442473297 1066129236 /nfs/dbraw/zinc/12/92/36/1066129236.db2.gz VFJWVPKMAQMHGG-QGZVFWFLSA-N 1 0 451.354 4.865 20 0 JJADRO Cc1ccsc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360973172 1066129628 /nfs/dbraw/zinc/12/96/28/1066129628.db2.gz ZQYHJAUUCUMBAG-UHFFFAOYSA-N 1 0 459.610 4.876 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)[NH+](C)C)cc1 ZINC001442478214 1066130750 /nfs/dbraw/zinc/13/07/50/1066130750.db2.gz VIAOEETWQMURPS-NRFANRHFSA-N 1 0 454.368 4.978 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC001442548425 1066135832 /nfs/dbraw/zinc/13/58/32/1066135832.db2.gz QZRGZYXAAWUTST-HXUWFJFHSA-N 1 0 459.565 4.690 20 0 JJADRO Cc1c(Cl)cccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001360982295 1066141570 /nfs/dbraw/zinc/14/15/70/1066141570.db2.gz HZLRQKVCGZIBBB-IFMALSPDSA-N 1 0 460.066 4.737 20 0 JJADRO CCOC(=O)N1[C@H](C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC[C@H]1c1ccc(C)o1 ZINC001442592620 1066141618 /nfs/dbraw/zinc/14/16/18/1066141618.db2.gz MQVYKBOXGBBTEH-VABKMULXSA-N 1 0 453.583 4.512 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)[NH+]2CCCC2)cc1 ZINC001442593686 1066141797 /nfs/dbraw/zinc/14/17/97/1066141797.db2.gz NQWLUDJDEVZOOX-HSZRJFAPSA-N 1 0 456.030 4.878 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)[NH+]2CCCC2)cc1 ZINC001442603178 1066143275 /nfs/dbraw/zinc/14/32/75/1066143275.db2.gz PYLJYKLMGSJMGV-DHIUTWEWSA-N 1 0 455.643 4.675 20 0 JJADRO Cc1ccc([C@H](CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)[NH+]2CCCC2)cc1 ZINC001442603180 1066143352 /nfs/dbraw/zinc/14/33/52/1066143352.db2.gz PYLJYKLMGSJMGV-GOTSBHOMSA-N 1 0 455.643 4.675 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001360983576 1066143817 /nfs/dbraw/zinc/14/38/17/1066143817.db2.gz RSBQNYPSMGIXAH-UHFFFAOYSA-N 1 0 457.880 4.641 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)(C)C)n1CC[N@H+](C)C1CCCCC1 ZINC001360983729 1066144142 /nfs/dbraw/zinc/14/41/42/1066144142.db2.gz HBHALNYGJMKEQI-UHFFFAOYSA-N 1 0 454.663 4.532 20 0 JJADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC001442666959 1066149400 /nfs/dbraw/zinc/14/94/00/1066149400.db2.gz QHZDTYJSFKHKAX-UEXGIBASSA-N 1 0 457.665 4.956 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CC(F)C2)n1CC[NH+]1CCSCC1 ZINC001360986315 1066150852 /nfs/dbraw/zinc/15/08/52/1066150852.db2.gz AMDFWOHTALPAEG-LWEYNCJUSA-N 1 0 496.096 4.921 20 0 JJADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442715627 1066154623 /nfs/dbraw/zinc/15/46/23/1066154623.db2.gz DLUBAPMFSBBYLJ-CVDCTZTESA-N 1 0 457.590 4.618 20 0 JJADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442715625 1066154656 /nfs/dbraw/zinc/15/46/56/1066154656.db2.gz DLUBAPMFSBBYLJ-AUSIDOKSSA-N 1 0 457.590 4.618 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)NC(=O)c1cccs1 ZINC001442720001 1066155352 /nfs/dbraw/zinc/15/53/52/1066155352.db2.gz HMRGCYBJBQGGKZ-HNNXBMFYSA-N 1 0 456.439 4.544 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001442723995 1066155747 /nfs/dbraw/zinc/15/57/47/1066155747.db2.gz LXCOMKZFFIXHAT-UHFFFAOYSA-N 1 0 457.496 4.883 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360986955 1066155988 /nfs/dbraw/zinc/15/59/88/1066155988.db2.gz QCBYWSNUYFBGDT-GIVPXCGWSA-N 1 0 488.032 4.809 20 0 JJADRO O=C([C@@H](CO)c1ccc(Cl)cc1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001442726794 1066156008 /nfs/dbraw/zinc/15/60/08/1066156008.db2.gz OSLDLTWOUHWZKE-IBGZPJMESA-N 1 0 455.813 4.847 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360986958 1066156048 /nfs/dbraw/zinc/15/60/48/1066156048.db2.gz QCBYWSNUYFBGDT-NRSPTQNISA-N 1 0 488.032 4.809 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360986938 1066156053 /nfs/dbraw/zinc/15/60/53/1066156053.db2.gz PVOMKEPSXUGTJR-NRFANRHFSA-N 1 0 492.649 4.518 20 0 JJADRO CCOc1cc2c(cc1OCC)CN(C(=O)[C@H](C)[NH+]1CCC(Cc3ccccc3)CC1)CC2 ZINC001442727708 1066156094 /nfs/dbraw/zinc/15/60/94/1066156094.db2.gz YDMVNLPZKLZOHW-NRFANRHFSA-N 1 0 450.623 4.712 20 0 JJADRO Cc1cc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)nn1-c1ccccc1Br ZINC001442754786 1066157161 /nfs/dbraw/zinc/15/71/61/1066157161.db2.gz IQSMKFVMHPFVDN-UHFFFAOYSA-N 1 0 459.432 4.718 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001360987211 1066157596 /nfs/dbraw/zinc/15/75/96/1066157596.db2.gz UWZLTUCKYSFRIX-SFTDATJTSA-N 1 0 468.690 4.536 20 0 JJADRO Cc1ccc(C(=O)Nc2ccc(OC(=O)c3ccc(N4CC[NH+](C(C)C)CC4)cc3)cc2)cc1 ZINC001442766087 1066158593 /nfs/dbraw/zinc/15/85/93/1066158593.db2.gz UEFJLJVUWMVRPB-UHFFFAOYSA-N 1 0 457.574 4.997 20 0 JJADRO COc1ccc(C[C@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1OC ZINC001360988192 1066158809 /nfs/dbraw/zinc/15/88/09/1066158809.db2.gz XJLJLOUVWYMWRP-KSNOWIBYSA-N 1 0 450.623 4.689 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001360989297 1066160485 /nfs/dbraw/zinc/16/04/85/1066160485.db2.gz CGUVVNUJKVLQHS-AAIMPIBUSA-N 1 0 490.092 4.771 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001360989300 1066160519 /nfs/dbraw/zinc/16/05/19/1066160519.db2.gz CGUVVNUJKVLQHS-ZEYPLWLESA-N 1 0 490.092 4.771 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CO)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360989794 1066163900 /nfs/dbraw/zinc/16/39/00/1066163900.db2.gz KWNSCOOVVBIPQM-HXUWFJFHSA-N 1 0 490.092 4.771 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCc3oncc3C2)n1CC[N@@H+](C)C(C)C ZINC001360990238 1066166559 /nfs/dbraw/zinc/16/65/59/1066166559.db2.gz RQJLOPNLTUYCRV-SFHVURJKSA-N 1 0 473.021 4.579 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOCC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001360992292 1066171543 /nfs/dbraw/zinc/17/15/43/1066171543.db2.gz MLAINAIPBXIKHX-VXKWHMMOSA-N 1 0 490.092 4.893 20 0 JJADRO CCN(CC)c1ccc2cc(C(=O)NC[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)c(=O)oc2c1 ZINC001360996374 1066175165 /nfs/dbraw/zinc/17/51/65/1066175165.db2.gz INIHZIKGWMKHCF-FDDCHVKYSA-N 1 0 453.608 4.514 20 0 JJADRO Cc1cc(C)c(Cn2c(CC(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1 ZINC001361010341 1066192765 /nfs/dbraw/zinc/19/27/65/1066192765.db2.gz BFZYDMWMGVLUJP-UHFFFAOYSA-N 1 0 467.702 4.779 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)C)n2CC(C)(C)C[NH+]2CCCC2)c(C)c1 ZINC001361011941 1066196044 /nfs/dbraw/zinc/19/60/44/1066196044.db2.gz JWVQGDNDBSQZOU-UHFFFAOYSA-N 1 0 454.663 4.524 20 0 JJADRO Cc1cc(C)cc(CCn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001361017125 1066205755 /nfs/dbraw/zinc/20/57/55/1066205755.db2.gz KDDORSRWKXBTRQ-RUZDIDTESA-N 1 0 453.675 4.936 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCSC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361017979 1066207461 /nfs/dbraw/zinc/20/74/61/1066207461.db2.gz HEPZGQPFFGLVEQ-ZRBLBEILSA-N 1 0 471.715 4.784 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361019237 1066209153 /nfs/dbraw/zinc/20/91/53/1066209153.db2.gz YBGQOWWBLXKPCA-ISKFKSNPSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[NH+]2CCCC2)c1 ZINC001361020702 1066211246 /nfs/dbraw/zinc/21/12/46/1066211246.db2.gz DMUVOIUZUNPAGN-UHFFFAOYSA-N 1 0 494.587 4.681 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCC[C@H]2C)s1 ZINC001361021084 1066212992 /nfs/dbraw/zinc/21/29/92/1066212992.db2.gz QDNKEAFPRUSTKL-HXUWFJFHSA-N 1 0 453.656 4.965 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)s1 ZINC001361021145 1066213865 /nfs/dbraw/zinc/21/38/65/1066213865.db2.gz RJUASGMYRFIYHT-JOCHJYFZSA-N 1 0 480.638 4.771 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361021175 1066213930 /nfs/dbraw/zinc/21/39/30/1066213930.db2.gz SGUVNFJJMUTEJV-RXVVDRJESA-N 1 0 468.671 4.687 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001361024371 1066221857 /nfs/dbraw/zinc/22/18/57/1066221857.db2.gz LDWWQIFGENMTFT-XJUOHMSHSA-N 1 0 451.615 4.852 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)OC3CCCC3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001361025189 1066223877 /nfs/dbraw/zinc/22/38/77/1066223877.db2.gz YNVHWOBDGHYHBQ-JOCHJYFZSA-N 1 0 455.647 4.906 20 0 JJADRO CC[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cscn1)[NH+]1CCCC1 ZINC001545952038 1066224974 /nfs/dbraw/zinc/22/49/74/1066224974.db2.gz GYZBNYVPLREQLW-PXNSSMCTSA-N 1 0 458.607 4.525 20 0 JJADRO C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001442834613 1066228934 /nfs/dbraw/zinc/22/89/34/1066228934.db2.gz CUVKKMDQLHAROK-NOZRDPDXSA-N 1 0 455.440 4.894 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@H]1CCCO1)[NH+]1CCCC1 ZINC001545952264 1066229127 /nfs/dbraw/zinc/22/91/27/1066229127.db2.gz JIJHBGKCPGBHKW-YTFSRNRJSA-N 1 0 455.647 4.525 20 0 JJADRO CC[C@@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@H]1CCCO1)[NH+]1CCCC1 ZINC001545952263 1066229293 /nfs/dbraw/zinc/22/92/93/1066229293.db2.gz JIJHBGKCPGBHKW-XPWALMASSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2CC[NH+]2CCSCC2)c1 ZINC001361028409 1066233225 /nfs/dbraw/zinc/23/32/25/1066233225.db2.gz HSPVZYPSUMDMBA-UHFFFAOYSA-N 1 0 469.699 4.705 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001361028741 1066234786 /nfs/dbraw/zinc/23/47/86/1066234786.db2.gz PTHYQHLXHZNQGM-MRXNPFEDSA-N 1 0 493.496 4.745 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cc(C)on1)[NH+]1CCCC1 ZINC001545952596 1066237857 /nfs/dbraw/zinc/23/78/57/1066237857.db2.gz MPMKCNBMQPYULJ-WIYYLYMNSA-N 1 0 473.021 4.879 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001361031278 1066240859 /nfs/dbraw/zinc/24/08/59/1066240859.db2.gz MYJWAEMQMCBJCB-NOZRDPDXSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001361031322 1066241467 /nfs/dbraw/zinc/24/14/67/1066241467.db2.gz OIRREGNGSWVIPP-UHFFFAOYSA-N 1 0 457.663 4.598 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@H]2CCO[C@H](C)C2)c1 ZINC001361031518 1066242337 /nfs/dbraw/zinc/24/23/37/1066242337.db2.gz UEUNACABLDZCEY-PKTZIBPZSA-N 1 0 469.674 4.646 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(OC4CCCC4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361031671 1066243094 /nfs/dbraw/zinc/24/30/94/1066243094.db2.gz YCUDTWDWPBCEIW-UHFFFAOYSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001361031952 1066244232 /nfs/dbraw/zinc/24/42/32/1066244232.db2.gz GKWCKJODEQDMMO-TZIWHRDSSA-N 1 0 495.590 4.504 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCSC(C)C)c1 ZINC001361032127 1066245046 /nfs/dbraw/zinc/24/50/46/1066245046.db2.gz LZYCKMQOBYDOCR-JOCHJYFZSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCCCCCC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001361032178 1066245709 /nfs/dbraw/zinc/24/57/09/1066245709.db2.gz MTIWVSJQNWQFCV-XMMPIXPASA-N 1 0 469.674 4.745 20 0 JJADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001442974349 1066248343 /nfs/dbraw/zinc/24/83/43/1066248343.db2.gz QWCHCALKJIMFSW-KRWDZBQOSA-N 1 0 451.355 4.988 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCC(F)(F)C2)c1 ZINC001361035391 1066253525 /nfs/dbraw/zinc/25/35/25/1066253525.db2.gz WMACRCAOKSJJMK-HXUWFJFHSA-N 1 0 461.601 4.830 20 0 JJADRO CCC[NH+]1CCC(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 ZINC001443022866 1066255456 /nfs/dbraw/zinc/25/54/56/1066255456.db2.gz ZRQXMSQSAGLXJI-UHFFFAOYSA-N 1 0 459.516 4.534 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC[NH+]2CCCCC2)c1 ZINC001361038707 1066257762 /nfs/dbraw/zinc/25/77/62/1066257762.db2.gz NBNHDVKMCRLTPA-XMMPIXPASA-N 1 0 469.674 4.601 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001361039012 1066258827 /nfs/dbraw/zinc/25/88/27/1066258827.db2.gz VQQFTAHFSOSHOZ-MHZLTWQESA-N 1 0 483.701 4.990 20 0 JJADRO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098395 1066267410 /nfs/dbraw/zinc/26/74/10/1066267410.db2.gz PFOXGEMOXBPMFW-PGRDOPGGSA-N 1 0 451.369 4.945 20 0 JJADRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3c(F)ccc(C(F)(F)F)c3Br)C2)c1 ZINC001454307800 1066268085 /nfs/dbraw/zinc/26/80/85/1066268085.db2.gz CUSZXUURVWRWIL-CQSZACIVSA-N 1 0 459.281 4.920 20 0 JJADRO CCCc1c(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001454312455 1066268752 /nfs/dbraw/zinc/26/87/52/1066268752.db2.gz MLEYBLSIVOTLFP-QHCPKHFHSA-N 1 0 459.638 4.830 20 0 JJADRO Cc1cc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CCOCC[NH+](C)C)c2ccccc2n1 ZINC001361044940 1066268571 /nfs/dbraw/zinc/26/85/71/1066268571.db2.gz JBBQLHZPCIZCPM-IBGZPJMESA-N 1 0 464.639 4.639 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC001443163781 1066275762 /nfs/dbraw/zinc/27/57/62/1066275762.db2.gz LPJLLZCFNKJNGF-VXNXHJTFSA-N 1 0 455.643 4.613 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545955049 1066277304 /nfs/dbraw/zinc/27/73/04/1066277304.db2.gz OKOAXFSSKQQTGE-TXTKFYIRSA-N 1 0 473.637 4.683 20 0 JJADRO Cc1sc2ncnc(SCCC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C)c2c1C ZINC001454408324 1066279848 /nfs/dbraw/zinc/27/98/48/1066279848.db2.gz SSXLOACOJXZLET-OXJNMPFZSA-N 1 0 454.665 4.817 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC001443215417 1066281334 /nfs/dbraw/zinc/28/13/34/1066281334.db2.gz MXECEKXHZBFGAD-LJQANCHMSA-N 1 0 459.569 4.746 20 0 JJADRO Cc1cc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@](C)(O)C(C)C)c2ccccc2n1 ZINC001361049822 1066283718 /nfs/dbraw/zinc/28/37/18/1066283718.db2.gz PMTVQVNQXQQOQJ-NDEPHWFRSA-N 1 0 478.685 4.765 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001546061919 1066286394 /nfs/dbraw/zinc/28/63/94/1066286394.db2.gz HULMZSGAEMJUNE-DQMJNTIXSA-N 1 0 461.651 4.621 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001546061920 1066287314 /nfs/dbraw/zinc/28/73/14/1066287314.db2.gz HULMZSGAEMJUNE-GLYQVZKVSA-N 1 0 461.651 4.621 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001546062110 1066290765 /nfs/dbraw/zinc/29/07/65/1066290765.db2.gz KZKYXWJXYPSJRZ-NVQXNPDNSA-N 1 0 469.674 4.772 20 0 JJADRO CC(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC001443298858 1066292042 /nfs/dbraw/zinc/29/20/42/1066292042.db2.gz DAFGBEYYFQICNL-IBGZPJMESA-N 1 0 457.537 4.508 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)no1 ZINC001361055071 1066293192 /nfs/dbraw/zinc/29/31/92/1066293192.db2.gz QRLNWNVMCQZXHI-QGZVFWFLSA-N 1 0 487.446 4.761 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(OC(C)C)CC1)[NH+]1CCCC1 ZINC001545956940 1066294993 /nfs/dbraw/zinc/29/49/93/1066294993.db2.gz LRZDRGHTGOPHCK-NRFANRHFSA-N 1 0 490.490 4.976 20 0 JJADRO C[NH+](C)CCN(C(=O)CCCCc1ccc(I)cc1)C1CCCCC1 ZINC001443329188 1066295227 /nfs/dbraw/zinc/29/52/27/1066295227.db2.gz AKLJYRYLRPZWOP-UHFFFAOYSA-N 1 0 456.412 4.727 20 0 JJADRO Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361060152 1066299449 /nfs/dbraw/zinc/29/94/49/1066299449.db2.gz KQPQNCTZJNGSBI-ISKFKSNPSA-N 1 0 496.700 4.822 20 0 JJADRO O=C(CN[C@H](c1ccccc1)C(F)(F)F)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001443359954 1066301365 /nfs/dbraw/zinc/30/13/65/1066301365.db2.gz VCNLBIGULOFKHI-RBBKRZOGSA-N 1 0 453.936 4.704 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545957465 1066301649 /nfs/dbraw/zinc/30/16/49/1066301649.db2.gz WQOHUMSEOCVZTI-PKOBYXMFSA-N 1 0 477.495 4.793 20 0 JJADRO Cc1cc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC001361063205 1066302403 /nfs/dbraw/zinc/30/24/03/1066302403.db2.gz GJCNTOKPOAIJLT-HDICACEKSA-N 1 0 456.660 4.620 20 0 JJADRO Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001454575659 1066303957 /nfs/dbraw/zinc/30/39/57/1066303957.db2.gz HQMWOMAHSYGUJC-GOSISDBHSA-N 1 0 453.995 4.619 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)no1 ZINC001361064844 1066304124 /nfs/dbraw/zinc/30/41/24/1066304124.db2.gz UNKNCXMLCIYPDY-XMMPIXPASA-N 1 0 466.630 4.527 20 0 JJADRO C[NH+](C)CCOc1cccc(CNC(=O)C2(c3cccc(Br)c3)CCCCC2)c1 ZINC001443386752 1066304207 /nfs/dbraw/zinc/30/42/07/1066304207.db2.gz GCRDTXQPMKRRRT-UHFFFAOYSA-N 1 0 459.428 4.908 20 0 JJADRO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC001443390267 1066305255 /nfs/dbraw/zinc/30/52/55/1066305255.db2.gz ZEBSENOJHBRBMV-UHFFFAOYSA-N 1 0 450.627 4.907 20 0 JJADRO Cc1cc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H](C)C2)no1 ZINC001361066270 1066305837 /nfs/dbraw/zinc/30/58/37/1066305837.db2.gz FZEBFSWIPIKOHM-KRWDZBQOSA-N 1 0 475.062 4.889 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)no1 ZINC001361066924 1066307243 /nfs/dbraw/zinc/30/72/43/1066307243.db2.gz XWJUIHUMVNHGTQ-DUWWHKKTSA-N 1 0 472.678 4.640 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001545958328 1066308400 /nfs/dbraw/zinc/30/84/00/1066308400.db2.gz AYAKBZOIDHIKLT-LZQZEXGQSA-N 1 0 471.955 4.629 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001545958327 1066308462 /nfs/dbraw/zinc/30/84/62/1066308462.db2.gz AYAKBZOIDHIKLT-KFKAGJAMSA-N 1 0 471.955 4.629 20 0 JJADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)CC1 ZINC001443432877 1066310457 /nfs/dbraw/zinc/31/04/57/1066310457.db2.gz UOMIPQYTNGVHDY-QGZVFWFLSA-N 1 0 450.023 4.634 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)c2)n1 ZINC001443431642 1066310584 /nfs/dbraw/zinc/31/05/84/1066310584.db2.gz QJDVUFJCJSYLOV-UHFFFAOYSA-N 1 0 453.974 4.820 20 0 JJADRO CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cscn1)[NH+]1CCCC1 ZINC001545958638 1066311734 /nfs/dbraw/zinc/31/17/34/1066311734.db2.gz ICPPUXNUTHEXHE-QGZVFWFLSA-N 1 0 493.450 4.814 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001546064059 1066313831 /nfs/dbraw/zinc/31/38/31/1066313831.db2.gz ILNZSBUVXPXOTM-DENIHFKCSA-N 1 0 463.468 4.783 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001546064061 1066313849 /nfs/dbraw/zinc/31/38/49/1066313849.db2.gz ILNZSBUVXPXOTM-SIKLNZKXSA-N 1 0 463.468 4.783 20 0 JJADRO C[C@H](CNC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)N1CC[NH+](C)CC1 ZINC001443469674 1066315823 /nfs/dbraw/zinc/31/58/23/1066315823.db2.gz YWDPNSFJKUPHAQ-MRXNPFEDSA-N 1 0 452.451 4.651 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001546064243 1066317565 /nfs/dbraw/zinc/31/75/65/1066317565.db2.gz LMIYRYYIWSVWHE-JOCHJYFZSA-N 1 0 494.453 4.584 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001546064242 1066317876 /nfs/dbraw/zinc/31/78/76/1066317876.db2.gz LLRJJIZCQFUDPX-SIBVEZHUSA-N 1 0 499.681 4.962 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCCC1 ZINC001545959234 1066319183 /nfs/dbraw/zinc/31/91/83/1066319183.db2.gz SEIZGCUTLCBBRI-ZIFCJYIRSA-N 1 0 465.614 4.751 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 ZINC001361080118 1066319239 /nfs/dbraw/zinc/31/92/39/1066319239.db2.gz XJHMSFLZWGVBSR-FYYLOGMGSA-N 1 0 451.542 4.637 20 0 JJADRO Cc1cc(Cn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(CC(C)C)C(C)C)cs1 ZINC001361081816 1066321104 /nfs/dbraw/zinc/32/11/04/1066321104.db2.gz UNCXMWHZFZHGDQ-UHFFFAOYSA-N 1 0 480.726 4.932 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545959577 1066322914 /nfs/dbraw/zinc/32/29/14/1066322914.db2.gz YSJGCLJZPWLDCS-RTWAWAEBSA-N 1 0 485.673 4.718 20 0 JJADRO CCCC[NH+]1CCC(NC(=O)c2ccccc2CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001443538399 1066327240 /nfs/dbraw/zinc/32/72/40/1066327240.db2.gz ZUGNUWGVZZCDQG-UHFFFAOYSA-N 1 0 457.659 4.871 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CC[N@H+]1CC=CCC1 ZINC001361087790 1066327688 /nfs/dbraw/zinc/32/76/88/1066327688.db2.gz CHQPOJBKYJOARP-SFTDATJTSA-N 1 0 490.117 4.844 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCC(C)C ZINC001361088031 1066328966 /nfs/dbraw/zinc/32/89/66/1066328966.db2.gz FFRCZHDEUGTZDT-IFMALSPDSA-N 1 0 460.066 4.971 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC(C)C ZINC001361088038 1066329088 /nfs/dbraw/zinc/32/90/88/1066329088.db2.gz FFRCZHDEUGTZDT-UNMCSNQZSA-N 1 0 460.066 4.971 20 0 JJADRO Cc1cc(C)c(C(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)cc1I ZINC001454746297 1066330388 /nfs/dbraw/zinc/33/03/88/1066330388.db2.gz LSBIYSWAILUTCF-SFHVURJKSA-N 1 0 454.396 4.635 20 0 JJADRO CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001443587022 1066332987 /nfs/dbraw/zinc/33/29/87/1066332987.db2.gz BIJBDWXRBBGPFS-UHFFFAOYSA-N 1 0 457.574 4.681 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCC1 ZINC001545960485 1066335793 /nfs/dbraw/zinc/33/57/93/1066335793.db2.gz DYCYLUMSSGCOQN-JFIYKMOQSA-N 1 0 496.881 4.849 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001361089533 1066336284 /nfs/dbraw/zinc/33/62/84/1066336284.db2.gz WSDNIAXTIBCIIW-FQEVSTJZSA-N 1 0 458.006 4.748 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSC[C@H]2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001361090135 1066338460 /nfs/dbraw/zinc/33/84/60/1066338460.db2.gz ATBMAGMOHPPXDQ-PZJWPPBQSA-N 1 0 492.133 4.925 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001546066059 1066338363 /nfs/dbraw/zinc/33/83/63/1066338363.db2.gz GCHJRQDCVIEDJQ-QHCPKHFHSA-N 1 0 490.490 4.753 20 0 JJADRO CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443629093 1066339674 /nfs/dbraw/zinc/33/96/74/1066339674.db2.gz DLOZEWBCHMSTDL-IWGBCORSSA-N 1 0 456.030 4.859 20 0 JJADRO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443630103 1066340340 /nfs/dbraw/zinc/34/03/40/1066340340.db2.gz FGOXFBDKBNPGQR-NRFANRHFSA-N 1 0 458.046 4.868 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001546066353 1066340827 /nfs/dbraw/zinc/34/08/27/1066340827.db2.gz LMRGSGUGNWTYLM-ZBLYBZFDSA-N 1 0 469.674 4.957 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001546066559 1066341829 /nfs/dbraw/zinc/34/18/29/1066341829.db2.gz QPRZZJZONMDXCI-WOJBJXKFSA-N 1 0 484.533 4.833 20 0 JJADRO Cc1cccc(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001361099927 1066349814 /nfs/dbraw/zinc/34/98/14/1066349814.db2.gz PSDSIJHFDRPEGM-IBVKSMDESA-N 1 0 461.614 4.512 20 0 JJADRO Cc1cccc(N(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361101485 1066350975 /nfs/dbraw/zinc/35/09/75/1066350975.db2.gz LZZRHPZDTJGDEI-QHCPKHFHSA-N 1 0 498.672 4.537 20 0 JJADRO CC1(C)CN([C@H](CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)c2ccc(Cl)cc2)CCO1 ZINC001443703956 1066353920 /nfs/dbraw/zinc/35/39/20/1066353920.db2.gz MWAFXIWBNIRTTO-JOCHJYFZSA-N 1 0 455.002 4.526 20 0 JJADRO Cc1cc(N2CCN(c3nnc(C4CCCC4)n3CCC[NH+](C(C)C)C(C)C)CC2)nc(C(C)C)n1 ZINC001361105852 1066354966 /nfs/dbraw/zinc/35/49/66/1066354966.db2.gz ZUJGQKGAENXRKP-UHFFFAOYSA-N 1 0 496.748 4.993 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@H](COC)C1)[NH+]1CCCC1 ZINC001545961326 1066355365 /nfs/dbraw/zinc/35/53/65/1066355365.db2.gz SWEZBIRKVUREEZ-UGKGYDQZSA-N 1 0 490.490 4.835 20 0 JJADRO Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC001361111224 1066361599 /nfs/dbraw/zinc/36/15/99/1066361599.db2.gz XYKNNOAECIQJTD-QSEAXJEQSA-N 1 0 493.700 4.505 20 0 JJADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001443765537 1066364355 /nfs/dbraw/zinc/36/43/55/1066364355.db2.gz XIZGBDOSCAUVCL-NRFANRHFSA-N 1 0 458.400 4.696 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)C1 ZINC001443771441 1066366168 /nfs/dbraw/zinc/36/61/68/1066366168.db2.gz PICGROBCOMSJOG-KRWDZBQOSA-N 1 0 454.412 4.988 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)Oc1cccc(F)c1 ZINC001545962369 1066367298 /nfs/dbraw/zinc/36/72/98/1066367298.db2.gz BIQNLEAADXVTHR-LVCYWYKZSA-N 1 0 455.578 4.762 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNC(=O)c1csc(N2CCCCC2)n1)C1CCCC1 ZINC001361119004 1066370387 /nfs/dbraw/zinc/37/03/87/1066370387.db2.gz MJPNWKGHRXMUJD-UHFFFAOYSA-N 1 0 456.656 4.707 20 0 JJADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001455238080 1066373920 /nfs/dbraw/zinc/37/39/20/1066373920.db2.gz NNHYFMXPYRQXKY-UHFFFAOYSA-N 1 0 456.011 4.611 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1([NH+](C)C)CCC1 ZINC001361123785 1066375382 /nfs/dbraw/zinc/37/53/82/1066375382.db2.gz MRFTZCGKBPPRCG-UHFFFAOYSA-N 1 0 493.700 4.760 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)cc1Cl ZINC001443846886 1066375834 /nfs/dbraw/zinc/37/58/34/1066375834.db2.gz YWMMLUJMGNTAFK-UHFFFAOYSA-N 1 0 450.764 4.705 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)cc1Cl ZINC001443851289 1066376536 /nfs/dbraw/zinc/37/65/36/1066376536.db2.gz RMKLQLNJINLEOC-NRFANRHFSA-N 1 0 454.329 4.595 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC([NH2+]C(C)C)CC1)Oc1cccc(F)c1 ZINC001545962907 1066376800 /nfs/dbraw/zinc/37/68/00/1066376800.db2.gz MIDPUFKQZPCPRG-NRFANRHFSA-N 1 0 455.578 4.810 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CC[NH+]2CCCCCC2)c1 ZINC001361124103 1066377251 /nfs/dbraw/zinc/37/72/51/1066377251.db2.gz XAEKDZIGCSXWQB-QHCPKHFHSA-N 1 0 469.674 4.638 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545962934 1066378770 /nfs/dbraw/zinc/37/87/70/1066378770.db2.gz MUYDPXBSQHBGQM-HYBUGGRVSA-N 1 0 453.675 4.978 20 0 JJADRO CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC001455392135 1066385858 /nfs/dbraw/zinc/38/58/58/1066385858.db2.gz MESRGKWJKQIHKP-NRFANRHFSA-N 1 0 455.574 4.744 20 0 JJADRO C[C@@H]([NH2+]C1(CNC(=O)Cc2csc([C@@H]3CC[C@@H](C)CC3)n2)CCOCC1)c1ccccc1 ZINC001443933059 1066386270 /nfs/dbraw/zinc/38/62/70/1066386270.db2.gz XPNOLYCABULZBO-KCZVDYSFSA-N 1 0 455.668 4.996 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001455418888 1066388622 /nfs/dbraw/zinc/38/86/22/1066388622.db2.gz ZNJJEYMWPLCVGJ-DEOSSOPVSA-N 1 0 451.611 4.620 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001361129736 1066393794 /nfs/dbraw/zinc/39/37/94/1066393794.db2.gz CLSQWVHBUXDYES-UHFFFAOYSA-N 1 0 469.674 4.780 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CSCCS2)c1 ZINC001361131053 1066397767 /nfs/dbraw/zinc/39/77/67/1066397767.db2.gz WPWPWTJGAFETQD-NRFANRHFSA-N 1 0 489.755 4.668 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@H]3C)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361131168 1066398185 /nfs/dbraw/zinc/39/81/85/1066398185.db2.gz AUFFZRJUVLDDOL-HXUWFJFHSA-N 1 0 459.704 4.818 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@H]3C)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001361131186 1066398301 /nfs/dbraw/zinc/39/83/01/1066398301.db2.gz BAPUPWMBHCPNDU-OFNKIYASSA-N 1 0 483.682 4.878 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001361131196 1066398362 /nfs/dbraw/zinc/39/83/62/1066398362.db2.gz BBFIZOHKBBTQIU-SIKLNZKXSA-N 1 0 457.688 4.571 20 0 JJADRO COc1cccc(Cc2cnc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)s2)c1 ZINC001455506441 1066399121 /nfs/dbraw/zinc/39/91/21/1066399121.db2.gz YAIMQFYPCBERDN-OAQYLSRUSA-N 1 0 457.546 4.838 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@H]3C)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001361131658 1066400164 /nfs/dbraw/zinc/40/01/64/1066400164.db2.gz NKIDFUBKBGDCGD-JOCHJYFZSA-N 1 0 469.674 4.779 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@@H]3C)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361131954 1066401487 /nfs/dbraw/zinc/40/14/87/1066401487.db2.gz RMKROFKQRXIFDE-QFIPXVFZSA-N 1 0 457.663 4.633 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001545964238 1066403766 /nfs/dbraw/zinc/40/37/66/1066403766.db2.gz AIOISMMSTGMPBX-SJLPKXTDSA-N 1 0 494.453 4.725 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=C(COC)CC1)[NH+]1CCCC1 ZINC001545964266 1066403953 /nfs/dbraw/zinc/40/39/53/1066403953.db2.gz ATCXRLZDPOTXEP-IBGZPJMESA-N 1 0 492.437 4.504 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CC2)[NH+](C)C)cc1 ZINC001361134635 1066406689 /nfs/dbraw/zinc/40/66/89/1066406689.db2.gz GGLGMKHNFZCSMT-NRFANRHFSA-N 1 0 471.447 4.504 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC001455557654 1066409276 /nfs/dbraw/zinc/40/92/76/1066409276.db2.gz CUERKPPNEYFCLS-PWRODBHTSA-N 1 0 468.560 4.915 20 0 JJADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc(OCc2ccccc2)ccn1 ZINC001444128894 1066410462 /nfs/dbraw/zinc/41/04/62/1066410462.db2.gz GUQMOTRDMVQFOE-OAQYLSRUSA-N 1 0 455.480 4.684 20 0 JJADRO O=C(Cc1csc(-c2cccs2)n1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444136074 1066412300 /nfs/dbraw/zinc/41/23/00/1066412300.db2.gz LZTUSBYGSXMBEC-MRXNPFEDSA-N 1 0 451.539 4.824 20 0 JJADRO C[C@@H](C(=O)N[C@H]1CCOc2ccc(Br)cc21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001455568876 1066412547 /nfs/dbraw/zinc/41/25/47/1066412547.db2.gz SFXTURUJJYFADU-JTSKRJEESA-N 1 0 457.412 4.732 20 0 JJADRO Cc1ccc([C@@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)[NH+](C)C)cc1 ZINC001361139338 1066414401 /nfs/dbraw/zinc/41/44/01/1066414401.db2.gz IDDLAJMSOKHIIU-ISKFKSNPSA-N 1 0 496.700 4.993 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH2+]C(C)C)CC1)Oc1cccc(F)c1 ZINC001545964900 1066414858 /nfs/dbraw/zinc/41/48/58/1066414858.db2.gz MBRDLIVWIRZLNW-NRFANRHFSA-N 1 0 487.023 4.957 20 0 JJADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC001444141479 1066414873 /nfs/dbraw/zinc/41/48/73/1066414873.db2.gz UIMNSYOQQHHICQ-CQSZACIVSA-N 1 0 451.798 4.777 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC([C@H]3CCOC3)CC2)[NH+](C)C)cc1 ZINC001361139399 1066415199 /nfs/dbraw/zinc/41/51/99/1066415199.db2.gz JESJRHGWSGMZPY-ZEQRLZLVSA-N 1 0 453.675 4.731 20 0 JJADRO Cc1ccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC001361139736 1066415872 /nfs/dbraw/zinc/41/58/72/1066415872.db2.gz OMOKDUNQRQZMJT-RTWAWAEBSA-N 1 0 465.564 4.706 20 0 JJADRO Cc1cc(Cl)ccc1O[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1 ZINC001455643269 1066418301 /nfs/dbraw/zinc/41/83/01/1066418301.db2.gz ZSJDLGLWPOKWKE-RSEQLOHWSA-N 1 0 457.014 4.776 20 0 JJADRO Cc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N(Cc2ccco2)C(C)C)[NH+](C)C)cc1 ZINC001361140960 1066419322 /nfs/dbraw/zinc/41/93/22/1066419322.db2.gz JIXVDRQYOOELDI-VWLOTQADSA-N 1 0 458.610 4.883 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCCC1 ZINC001545965302 1066420259 /nfs/dbraw/zinc/42/02/59/1066420259.db2.gz VFLNFUKRFKVVPW-FUHWJXTLSA-N 1 0 494.453 4.725 20 0 JJADRO C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001455651429 1066420411 /nfs/dbraw/zinc/42/04/11/1066420411.db2.gz VQDUESJQOKNZBK-ZDUSSCGKSA-N 1 0 457.493 4.605 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCCC1 ZINC001545965309 1066420901 /nfs/dbraw/zinc/42/09/01/1066420901.db2.gz VHAYJFNHEPDVSY-YLJYHZDGSA-N 1 0 484.998 4.546 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361142201 1066423554 /nfs/dbraw/zinc/42/35/54/1066423554.db2.gz VLKMXEJAXICGLD-DQEYMECFSA-N 1 0 494.728 4.753 20 0 JJADRO Cc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC001361142460 1066424170 /nfs/dbraw/zinc/42/41/70/1066424170.db2.gz ZRBCJOKWSVBQAL-RBBKRZOGSA-N 1 0 472.559 4.654 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001546075286 1066426045 /nfs/dbraw/zinc/42/60/45/1066426045.db2.gz LGZFVJDIMXQHNS-VWLOTQADSA-N 1 0 452.672 4.782 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361145664 1066429717 /nfs/dbraw/zinc/42/97/17/1066429717.db2.gz FOVHPUCAMUAFNN-IFMALSPDSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)ccc2C)n1CCC[NH+]1CCCCC1 ZINC001361145826 1066430323 /nfs/dbraw/zinc/43/03/23/1066430323.db2.gz KOHCUXRUOGWLCC-UHFFFAOYSA-N 1 0 466.630 4.591 20 0 JJADRO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001444249349 1066434524 /nfs/dbraw/zinc/43/45/24/1066434524.db2.gz RKAMEMKMTUXMJU-AGILITTLSA-N 1 0 457.659 4.529 20 0 JJADRO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001444249353 1066435364 /nfs/dbraw/zinc/43/53/64/1066435364.db2.gz RKAMEMKMTUXMJU-FGCOXFRFSA-N 1 0 457.659 4.529 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361148595 1066435721 /nfs/dbraw/zinc/43/57/21/1066435721.db2.gz PRIFERUBSRKPDE-FPOVZHCZSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3nccs3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361148785 1066437346 /nfs/dbraw/zinc/43/73/46/1066437346.db2.gz WHYWSUODNKAAQH-NRFANRHFSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361151238 1066442029 /nfs/dbraw/zinc/44/20/29/1066442029.db2.gz FQFQUYCFAGHBGG-KNQAVFIVSA-N 1 0 495.590 4.504 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361151237 1066442120 /nfs/dbraw/zinc/44/21/20/1066442120.db2.gz FQFQUYCFAGHBGG-DENIHFKCSA-N 1 0 495.590 4.504 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361151721 1066443303 /nfs/dbraw/zinc/44/33/03/1066443303.db2.gz KPMDXLDZJZWUPD-JOCHJYFZSA-N 1 0 457.663 4.596 20 0 JJADRO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1NC(=O)c1ccncc1 ZINC001444298448 1066444772 /nfs/dbraw/zinc/44/47/72/1066444772.db2.gz NMXPUEHADZBNLV-XUZZJYLKSA-N 1 0 456.590 4.767 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361151937 1066444688 /nfs/dbraw/zinc/44/46/88/1066444688.db2.gz GLDWRUZDJGKJDG-ZEQRLZLVSA-N 1 0 483.701 4.703 20 0 JJADRO Cc1cc(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)ccc1OCC[NH+]1CCCC1 ZINC001444340323 1066451833 /nfs/dbraw/zinc/45/18/33/1066451833.db2.gz BGMHNPPHZXIZGX-UHFFFAOYSA-N 1 0 456.493 4.713 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC(F)(F)F)[NH+]1CCCC1 ZINC001545967028 1066458275 /nfs/dbraw/zinc/45/82/75/1066458275.db2.gz OPKCSLGZUJGVAI-GOSISDBHSA-N 1 0 469.552 4.614 20 0 JJADRO C[C@@H]1[C@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC001455953851 1066459303 /nfs/dbraw/zinc/45/93/03/1066459303.db2.gz WZBAIIZZPMICAY-FZKQIMNGSA-N 1 0 452.407 4.547 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1 ZINC001455966281 1066462569 /nfs/dbraw/zinc/46/25/69/1066462569.db2.gz XEVJXUBNDKCYTJ-UHFFFAOYSA-N 1 0 459.306 4.860 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361158939 1066462699 /nfs/dbraw/zinc/46/26/99/1066462699.db2.gz JETQLRGURMJLCT-RPWUZVMVSA-N 1 0 469.674 4.598 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361159081 1066463094 /nfs/dbraw/zinc/46/30/94/1066463094.db2.gz OAPXICAGAWXTPD-XWGVYQGASA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361159079 1066463229 /nfs/dbraw/zinc/46/32/29/1066463229.db2.gz OAPXICAGAWXTPD-OEMFJLHTSA-N 1 0 469.674 4.600 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@@H]1CC=CCC1)[NH+]1CCCC1 ZINC001545967264 1066463332 /nfs/dbraw/zinc/46/33/32/1066463332.db2.gz UCBSKDVVSZYKBU-IFMALSPDSA-N 1 0 453.631 4.629 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCO[C@H]2CCCC[C@@H]2C)c1 ZINC001361159233 1066463815 /nfs/dbraw/zinc/46/38/15/1066463815.db2.gz SXPAOIOWPQIODV-ZCYQVOJMSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCCC(F)(F)F)c1 ZINC001361159670 1066464432 /nfs/dbraw/zinc/46/44/32/1066464432.db2.gz GVCQPEJYFWRPSJ-UHFFFAOYSA-N 1 0 465.564 4.881 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361160002 1066465749 /nfs/dbraw/zinc/46/57/49/1066465749.db2.gz RAGILDFEPJGJIF-MUUNZHRXSA-N 1 0 483.701 4.726 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)C1CC1 ZINC001444504404 1066468852 /nfs/dbraw/zinc/46/88/52/1066468852.db2.gz PSMAZGMWNVFOJQ-HSZRJFAPSA-N 1 0 455.643 4.727 20 0 JJADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001455995737 1066469040 /nfs/dbraw/zinc/46/90/40/1066469040.db2.gz XBYDGQBKPWBQFY-RRPNLBNLSA-N 1 0 461.650 4.675 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361162399 1066470168 /nfs/dbraw/zinc/47/01/68/1066470168.db2.gz BFKXXJGWWMNVBC-GGAORHGYSA-N 1 0 471.715 4.928 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001361162638 1066470922 /nfs/dbraw/zinc/47/09/22/1066470922.db2.gz DSPWKMLXVDGGOY-XUZZJYLKSA-N 1 0 471.715 4.784 20 0 JJADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)C1 ZINC001456009848 1066471847 /nfs/dbraw/zinc/47/18/47/1066471847.db2.gz LACLPPZNXLSPAB-GOSISDBHSA-N 1 0 452.352 4.770 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC4(CCCCC4)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001361163622 1066473293 /nfs/dbraw/zinc/47/32/93/1066473293.db2.gz OGIQVLSZFHWLAC-NRFANRHFSA-N 1 0 457.688 4.680 20 0 JJADRO O=C(CCCCc1nc2ccccc2s1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001444537199 1066473461 /nfs/dbraw/zinc/47/34/61/1066473461.db2.gz ALKMJTPSGLFNRS-UHFFFAOYSA-N 1 0 455.599 4.808 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361164118 1066474882 /nfs/dbraw/zinc/47/48/82/1066474882.db2.gz WCMUREPAPUUNEB-NRFANRHFSA-N 1 0 457.688 4.538 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)CC2)cc1 ZINC001361165044 1066476469 /nfs/dbraw/zinc/47/64/69/1066476469.db2.gz CQTQKRWSNKLCIN-HSZRJFAPSA-N 1 0 467.702 4.943 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001444566163 1066477047 /nfs/dbraw/zinc/47/70/47/1066477047.db2.gz LSRBPZSPCNIPJF-DENIHFKCSA-N 1 0 457.640 4.628 20 0 JJADRO Cc1ccc([C@]2(O)CCN(c3nnc(C(C)C)n3CCCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2)cc1 ZINC001361166454 1066477706 /nfs/dbraw/zinc/47/77/06/1066477706.db2.gz VCLBVCDSDZKTQH-NOTUOJBMSA-N 1 0 453.675 4.566 20 0 JJADRO Cc1ccc([C@]2(O)CCN(c3nnc(C(C)C)n3CCCC[NH+]3C[C@@H](C)C[C@H](C)C3)C2)cc1 ZINC001361166457 1066477769 /nfs/dbraw/zinc/47/77/69/1066477769.db2.gz VCLBVCDSDZKTQH-WCYRKSIYSA-N 1 0 453.675 4.566 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C[C@@H]1C ZINC001444614540 1066483735 /nfs/dbraw/zinc/48/37/35/1066483735.db2.gz KJNZAWABGGQZKL-AZUAARDMSA-N 1 0 455.002 4.600 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C[C@H]1C ZINC001444618907 1066484777 /nfs/dbraw/zinc/48/47/77/1066484777.db2.gz QSAJSBSTININAI-HIFRSBDPSA-N 1 0 456.427 4.514 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C[C@@H]1C ZINC001444622550 1066485211 /nfs/dbraw/zinc/48/52/11/1066485211.db2.gz XXYJGNVZPAIDPQ-HRAATJIYSA-N 1 0 458.400 4.646 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC001361171173 1066486333 /nfs/dbraw/zinc/48/63/33/1066486333.db2.gz SDENLEKKYXZYSK-ICSRJNTNSA-N 1 0 473.568 4.559 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)o1 ZINC001361171172 1066486544 /nfs/dbraw/zinc/48/65/44/1066486544.db2.gz SDENLEKKYXZYSK-AZUAARDMSA-N 1 0 473.568 4.559 20 0 JJADRO Cc1ccc(NC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c(OCC[NH+](C)C)c1 ZINC001444644757 1066487463 /nfs/dbraw/zinc/48/74/63/1066487463.db2.gz ADWLPHINCSBSKE-UHFFFAOYSA-N 1 0 459.612 4.542 20 0 JJADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC001444646827 1066487846 /nfs/dbraw/zinc/48/78/46/1066487846.db2.gz HEHLHVPDIVWKQQ-UHFFFAOYSA-N 1 0 459.377 4.657 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)o1 ZINC001361172001 1066488707 /nfs/dbraw/zinc/48/87/07/1066488707.db2.gz XYZLWQPRVQTBQN-CTNGQTDRSA-N 1 0 499.681 4.568 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)o1 ZINC001361172003 1066488719 /nfs/dbraw/zinc/48/87/19/1066488719.db2.gz XYZLWQPRVQTBQN-PZJWPPBQSA-N 1 0 499.681 4.568 20 0 JJADRO Cc1ccc(NC(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c(OCC[NH+](C)C)c1 ZINC001444653679 1066488971 /nfs/dbraw/zinc/48/89/71/1066488971.db2.gz VHFBGWFHOIWAEL-UHFFFAOYSA-N 1 0 459.612 4.542 20 0 JJADRO CCc1sc(C(=O)NC2CC[NH+](CCOc3ccc(Br)cc3)CC2)cc1C ZINC001444655368 1066489708 /nfs/dbraw/zinc/48/97/08/1066489708.db2.gz ZPFBVVBDSSCLFJ-UHFFFAOYSA-N 1 0 451.430 4.655 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361175149 1066492140 /nfs/dbraw/zinc/49/21/40/1066492140.db2.gz DOFXUKDYMQMOLH-NRFANRHFSA-N 1 0 466.630 4.515 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001545968445 1066492236 /nfs/dbraw/zinc/49/22/36/1066492236.db2.gz FSTZPOBTNZVWBG-GGAORHGYSA-N 1 0 482.673 4.561 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001545968446 1066492294 /nfs/dbraw/zinc/49/22/94/1066492294.db2.gz FSTZPOBTNZVWBG-GMAHTHKFSA-N 1 0 482.673 4.561 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361175679 1066493353 /nfs/dbraw/zinc/49/33/53/1066493353.db2.gz UQJLWZYXHMKWLN-ILWGZMRPSA-N 1 0 465.642 4.974 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC001361175573 1066493514 /nfs/dbraw/zinc/49/35/14/1066493514.db2.gz RNTANRHFTIBPCZ-CRAIPNDOSA-N 1 0 453.534 4.990 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](c2ccco2)[NH+](C)C)cc1Br ZINC001361175944 1066493693 /nfs/dbraw/zinc/49/36/93/1066493693.db2.gz ZENWQLUNVIZZOA-INIZCTEOSA-N 1 0 486.336 4.910 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361175998 1066494653 /nfs/dbraw/zinc/49/46/53/1066494653.db2.gz ZWDGAYRYZJLPHY-KSEOMHKRSA-N 1 0 451.615 4.586 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC001456059863 1066497970 /nfs/dbraw/zinc/49/79/70/1066497970.db2.gz SOXQNJNBNYTCAS-UHFFFAOYSA-N 1 0 458.425 4.700 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1ccc(Br)cc1 ZINC001456061780 1066498957 /nfs/dbraw/zinc/49/89/57/1066498957.db2.gz VHMWWRWISXBKNQ-UHFFFAOYSA-N 1 0 457.334 4.991 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@@]2([NH+](C)C)CCSC2)o1 ZINC001361178785 1066499441 /nfs/dbraw/zinc/49/94/41/1066499441.db2.gz SHZMPTWBNVJYJN-QHCPKHFHSA-N 1 0 477.581 4.522 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001545969050 1066502281 /nfs/dbraw/zinc/50/22/81/1066502281.db2.gz PZAONNMXHLBUCM-RDPSFJRHSA-N 1 0 479.591 4.658 20 0 JJADRO COC(=O)Nc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c(Cl)c1 ZINC001456072374 1066502591 /nfs/dbraw/zinc/50/25/91/1066502591.db2.gz KMSSGDUATODZOU-UHFFFAOYSA-N 1 0 450.366 4.910 20 0 JJADRO CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC001444776771 1066503800 /nfs/dbraw/zinc/50/38/00/1066503800.db2.gz IGVIOQDPQFJLNF-PKTZIBPZSA-N 1 0 464.587 4.556 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361181748 1066504182 /nfs/dbraw/zinc/50/41/82/1066504182.db2.gz VQFINCZFMCZCHF-QGZVFWFLSA-N 1 0 450.612 4.768 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361183506 1066505910 /nfs/dbraw/zinc/50/59/10/1066505910.db2.gz LQRGRUQMFIKQJR-OAQYLSRUSA-N 1 0 487.446 4.761 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001546079212 1066506044 /nfs/dbraw/zinc/50/60/44/1066506044.db2.gz HODOYUSWEMAYNA-AWVRMFGXSA-N 1 0 496.700 4.785 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001361184531 1066507664 /nfs/dbraw/zinc/50/76/64/1066507664.db2.gz MFRUCJMCLYQBQK-UYAOXDASSA-N 1 0 476.463 4.506 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001546079455 1066510597 /nfs/dbraw/zinc/51/05/97/1066510597.db2.gz MSDUCMDLEYBESA-RLWLMLJZSA-N 1 0 455.647 4.613 20 0 JJADRO CCOC(=O)[C@@](C)(CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)CC(C)C ZINC001456116649 1066512422 /nfs/dbraw/zinc/51/24/22/1066512422.db2.gz WVQGHILYABZPAF-MOZWKJSSSA-N 1 0 464.650 4.808 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@H+](C)C2CCCCC2)cc1Br ZINC001361190745 1066516093 /nfs/dbraw/zinc/51/60/93/1066516093.db2.gz QZFAWKVMMZFFOG-OAQYLSRUSA-N 1 0 490.490 4.896 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC001444909939 1066517403 /nfs/dbraw/zinc/51/74/03/1066517403.db2.gz XIJWBFBEBMRRQS-UHFFFAOYSA-N 1 0 452.382 4.552 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001546079877 1066517776 /nfs/dbraw/zinc/51/77/76/1066517776.db2.gz VYWHLBJROQFIOZ-JWQCQUIFSA-N 1 0 457.688 4.538 20 0 JJADRO Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2CCCC[NH+]2CCOCC2)cc1Br ZINC001361191416 1066518296 /nfs/dbraw/zinc/51/82/96/1066518296.db2.gz SFDODRZSHKTPNW-UHFFFAOYSA-N 1 0 492.506 4.999 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](c4ccccc4)C3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001361196040 1066522961 /nfs/dbraw/zinc/52/29/61/1066522961.db2.gz JIPHAPRYWMVOQI-XUZZJYLKSA-N 1 0 451.615 4.932 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](c4ccccc4)O[C@@H](C)C3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001361196039 1066523029 /nfs/dbraw/zinc/52/30/29/1066523029.db2.gz JIPHAPRYWMVOQI-URXFXBBRSA-N 1 0 451.615 4.932 20 0 JJADRO C[C@@H](c1ccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)cc1)N1CCOCC1 ZINC001456158958 1066525556 /nfs/dbraw/zinc/52/55/56/1066525556.db2.gz XOOMEDKHPKDMPT-VXKWHMMOSA-N 1 0 451.611 4.585 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H](c2cccs2)[NH+](C)C)o1 ZINC001361200055 1066529387 /nfs/dbraw/zinc/52/93/87/1066529387.db2.gz MEQSQDWVMVNVBP-MRXNPFEDSA-N 1 0 453.534 4.990 20 0 JJADRO Cn1c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ccc1-c1ccc(Br)cc1 ZINC001445036703 1066531377 /nfs/dbraw/zinc/53/13/77/1066531377.db2.gz SZUOHMMBNLHMHM-NRFANRHFSA-N 1 0 452.396 4.801 20 0 JJADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)cc2)C1 ZINC001445041097 1066532592 /nfs/dbraw/zinc/53/25/92/1066532592.db2.gz BCPWWMHFHNEXIH-QGZVFWFLSA-N 1 0 458.484 4.864 20 0 JJADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)cc1 ZINC001456186978 1066532952 /nfs/dbraw/zinc/53/29/52/1066532952.db2.gz YKJURYWPNNEEBS-UHFFFAOYSA-N 1 0 457.549 4.954 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNC(=O)C[C@H]1CCc2sccc2C1=O)C1CCCC1 ZINC001445057035 1066534795 /nfs/dbraw/zinc/53/47/95/1066534795.db2.gz MLKPWQYTBYYIID-LJQANCHMSA-N 1 0 454.636 4.843 20 0 JJADRO CSc1cc(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)ccc1Br ZINC001456199259 1066535876 /nfs/dbraw/zinc/53/58/76/1066535876.db2.gz RRIPWTKIANUQCO-UHFFFAOYSA-N 1 0 455.462 4.715 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCc2ccc(N(C)C)cc2)o1 ZINC001361205573 1066537469 /nfs/dbraw/zinc/53/74/69/1066537469.db2.gz LXPTVTAQUDYPMI-UHFFFAOYSA-N 1 0 464.658 4.712 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC001361205947 1066537876 /nfs/dbraw/zinc/53/78/76/1066537876.db2.gz YVSUDYYIPRPWGR-MRXNPFEDSA-N 1 0 482.417 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2ccc(OC(C)C)nc2)o1 ZINC001361205979 1066538438 /nfs/dbraw/zinc/53/84/38/1066538438.db2.gz ZRKCSLZGISKBQI-UHFFFAOYSA-N 1 0 466.630 4.634 20 0 JJADRO CC(C)C[C@H](CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)NC(=O)OC(C)(C)C ZINC001445091275 1066538610 /nfs/dbraw/zinc/53/86/10/1066538610.db2.gz PVBTWAJHMAPTQK-YIXXDRMTSA-N 1 0 457.659 4.831 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCO[C@H](C)c2ccccc2)o1 ZINC001361206914 1066538746 /nfs/dbraw/zinc/53/87/46/1066538746.db2.gz BKGZKAOCFAWVNL-OAQYLSRUSA-N 1 0 451.615 4.981 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(NC(=O)c4ccc(F)cc4)CC3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001361207047 1066539190 /nfs/dbraw/zinc/53/91/90/1066539190.db2.gz HARXHVKINZWJEN-UHFFFAOYSA-N 1 0 496.631 4.503 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1Br ZINC001361209284 1066542284 /nfs/dbraw/zinc/54/22/84/1066542284.db2.gz SFPDLTVHYYOKLZ-GHTZIAJQSA-N 1 0 490.490 4.750 20 0 JJADRO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001445172394 1066542628 /nfs/dbraw/zinc/54/26/28/1066542628.db2.gz IFHAUNOBUZAWBG-XMMPIXPASA-N 1 0 456.508 4.948 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CC[NH+]2CCCCC2)cc1Br ZINC001361212014 1066546352 /nfs/dbraw/zinc/54/63/52/1066546352.db2.gz FOTMVJBLKINFQL-SFHVURJKSA-N 1 0 482.417 4.983 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC3CCC([NH+]4CCCCC4)CC3)cc2CC1 ZINC001445224565 1066547084 /nfs/dbraw/zinc/54/70/84/1066547084.db2.gz FJCUUBFXZGIETJ-UHFFFAOYSA-N 1 0 455.643 4.549 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361212595 1066547407 /nfs/dbraw/zinc/54/74/07/1066547407.db2.gz NXPZWGHTLVPJDS-UNMCSNQZSA-N 1 0 498.716 4.736 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001456259397 1066548473 /nfs/dbraw/zinc/54/84/73/1066548473.db2.gz WWTDKUUJILNITB-QGZVFWFLSA-N 1 0 450.549 4.858 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@@H+](C)C2CCCCC2)o1 ZINC001361214287 1066550296 /nfs/dbraw/zinc/55/02/96/1066550296.db2.gz LZDXXTCLAJUYSI-LJQANCHMSA-N 1 0 469.552 4.659 20 0 JJADRO CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)CC1=O ZINC001445270208 1066550833 /nfs/dbraw/zinc/55/08/33/1066550833.db2.gz JUAFYIVTDRENQW-IIQVAULWSA-N 1 0 453.671 4.912 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[NH+]2CCC(C)CC2)o1 ZINC001361214804 1066551729 /nfs/dbraw/zinc/55/17/29/1066551729.db2.gz XJXNLZKJYSANCV-LJQANCHMSA-N 1 0 469.552 4.516 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)C/C=C/c2ccc(Br)cc2)cc1 ZINC001456275133 1066552789 /nfs/dbraw/zinc/55/27/89/1066552789.db2.gz MQBWMDJRFKAVPZ-AATRIKPKSA-N 1 0 459.384 4.530 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccco3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001361218111 1066553857 /nfs/dbraw/zinc/55/38/57/1066553857.db2.gz KWDBFJCVKNPKHO-APWZRJJASA-N 1 0 458.404 4.901 20 0 JJADRO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)cc2)c1C ZINC001445288677 1066554555 /nfs/dbraw/zinc/55/45/55/1066554555.db2.gz FULRSJFNVTUJBS-UHFFFAOYSA-N 1 0 451.592 4.727 20 0 JJADRO COc1ccc2cc(C(=O)N(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC(F)(F)F)cnc2c1 ZINC001361220291 1066557249 /nfs/dbraw/zinc/55/72/49/1066557249.db2.gz LTCLGPHKBBVIEF-IBGZPJMESA-N 1 0 457.496 4.770 20 0 JJADRO Cc1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)nn1-c1ccccc1 ZINC001361220266 1066557389 /nfs/dbraw/zinc/55/73/89/1066557389.db2.gz LCPCUUAMXOWDRN-OAQYLSRUSA-N 1 0 456.512 4.707 20 0 JJADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001456298849 1066558080 /nfs/dbraw/zinc/55/80/80/1066558080.db2.gz APGWMVXYMAXIJF-MRXNPFEDSA-N 1 0 457.453 4.635 20 0 JJADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC001546081398 1066558979 /nfs/dbraw/zinc/55/89/79/1066558979.db2.gz OIRMPXCBOAGFGI-NFTQTCPJSA-N 1 0 496.700 4.663 20 0 JJADRO CC(C)(C)Cc1nc(-c2cccc(C(=O)NCC3([NH+]4CCSCC4)CCCCC3)c2)no1 ZINC001456302423 1066559171 /nfs/dbraw/zinc/55/91/71/1066559171.db2.gz JWGPQABAFLWCDO-UHFFFAOYSA-N 1 0 456.656 4.807 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)[C@H](C)C1 ZINC001456306351 1066560166 /nfs/dbraw/zinc/56/01/66/1066560166.db2.gz ZWHAELOKFOZUGG-NQIIRXRSSA-N 1 0 454.640 4.571 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)[C@@H](C)C1 ZINC001456306348 1066560293 /nfs/dbraw/zinc/56/02/93/1066560293.db2.gz ZWHAELOKFOZUGG-GHTZIAJQSA-N 1 0 454.640 4.571 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCCCOC(C)C)cc1Br ZINC001361222534 1066561028 /nfs/dbraw/zinc/56/10/28/1066561028.db2.gz HDNPDPJAHPFEQO-UHFFFAOYSA-N 1 0 490.490 4.896 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CC2(C)C)cc1Br ZINC001361224133 1066562404 /nfs/dbraw/zinc/56/24/04/1066562404.db2.gz KENZRVSGBNSPBI-LJQANCHMSA-N 1 0 460.464 4.840 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C)Oc2ccc(Cl)cc2)o1 ZINC001361224279 1066562417 /nfs/dbraw/zinc/56/24/17/1066562417.db2.gz OGVKFESUUNVWRS-IBGZPJMESA-N 1 0 458.006 4.745 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ccsc2)cc1Br ZINC001361224587 1066563419 /nfs/dbraw/zinc/56/34/19/1066563419.db2.gz ZBFIHGRZTIPCGV-UHFFFAOYSA-N 1 0 474.472 4.904 20 0 JJADRO CCN(C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1)CC(F)(F)F ZINC001445372734 1066563802 /nfs/dbraw/zinc/56/38/02/1066563802.db2.gz PKRBUFXQLUHULC-DNVJHFABSA-N 1 0 453.593 4.513 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)o1 ZINC001361226195 1066564924 /nfs/dbraw/zinc/56/49/24/1066564924.db2.gz VTGIKQHJVHOYGN-FYYLOGMGSA-N 1 0 487.689 4.623 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@H](c4ccc(F)cc4F)C3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361229744 1066569115 /nfs/dbraw/zinc/56/91/15/1066569115.db2.gz VLOAFWHDSRJSPD-XXBNENTESA-N 1 0 473.568 4.679 20 0 JJADRO Cc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1Br ZINC001361230734 1066569894 /nfs/dbraw/zinc/56/98/94/1066569894.db2.gz BABAIJOEMBVSCR-HKUYNNGSSA-N 1 0 480.520 4.934 20 0 JJADRO Cc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1Br ZINC001361230736 1066569939 /nfs/dbraw/zinc/56/99/39/1066569939.db2.gz BABAIJOEMBVSCR-MJGOQNOKSA-N 1 0 480.520 4.934 20 0 JJADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc3sc(Nc4ccccc4C)nc3s2)C1 ZINC001445462002 1066573761 /nfs/dbraw/zinc/57/37/61/1066573761.db2.gz OCHOUFULHCFBIR-KRWDZBQOSA-N 1 0 458.653 4.983 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C(C)C)o1 ZINC001361235371 1066575790 /nfs/dbraw/zinc/57/57/90/1066575790.db2.gz VOFLZOUCFPHCKG-SFHVURJKSA-N 1 0 461.408 4.619 20 0 JJADRO O=C(/C=C\c1ccsc1C(F)(F)F)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001445510466 1066578718 /nfs/dbraw/zinc/57/87/18/1066578718.db2.gz HASNBKDWNWDTBB-FPLPWBNLSA-N 1 0 452.542 4.968 20 0 JJADRO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001445511847 1066579240 /nfs/dbraw/zinc/57/92/40/1066579240.db2.gz JRJXTKZQAYTBSB-QFIPXVFZSA-N 1 0 452.639 4.939 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445524434 1066581466 /nfs/dbraw/zinc/58/14/66/1066581466.db2.gz OKBXGSREBVHVJN-KHVXQDHOSA-N 1 0 455.643 4.537 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001445525128 1066582067 /nfs/dbraw/zinc/58/20/67/1066582067.db2.gz OYHGPWDFBYOVBC-KMDXXIMOSA-N 1 0 455.643 4.537 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1 ZINC001456430560 1066583560 /nfs/dbraw/zinc/58/35/60/1066583560.db2.gz HBVHPIZVCNZFFZ-JJPKUHKXSA-N 1 0 454.636 4.860 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001361243123 1066584589 /nfs/dbraw/zinc/58/45/89/1066584589.db2.gz VIRQIFSGVAKDGU-HOCLYGCPSA-N 1 0 451.792 4.894 20 0 JJADRO COc1ccc(-c2ncc(C(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)s2)cc1OC ZINC001445563680 1066587910 /nfs/dbraw/zinc/58/79/10/1066587910.db2.gz AFKLKOPSWKRJII-SFHVURJKSA-N 1 0 457.640 4.944 20 0 JJADRO Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)C2)c1 ZINC001445567008 1066588244 /nfs/dbraw/zinc/58/82/44/1066588244.db2.gz KXYPDCRJCCXPHN-UKILVPOCSA-N 1 0 453.671 4.659 20 0 JJADRO CC(=O)c1cccc(OCc2cc(C(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)no2)c1 ZINC001445564851 1066588536 /nfs/dbraw/zinc/58/85/36/1066588536.db2.gz GBPRUPTWEBCBPB-LJQANCHMSA-N 1 0 453.583 4.573 20 0 JJADRO CCn1nc(C(F)(F)F)c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C(F)F ZINC001445568846 1066589130 /nfs/dbraw/zinc/58/91/30/1066589130.db2.gz QWOBUXLSANJBES-AWEZNQCLSA-N 1 0 450.496 4.976 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001456448485 1066589477 /nfs/dbraw/zinc/58/94/77/1066589477.db2.gz WSARXVGKOHWLBF-HYBUGGRVSA-N 1 0 451.611 4.637 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCCC2)o1 ZINC001361248285 1066591904 /nfs/dbraw/zinc/59/19/04/1066591904.db2.gz JJPOBLLYUPYVCR-UYAOXDASSA-N 1 0 455.578 4.827 20 0 JJADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@H]3c3ccccc3Br)CC2)c1 ZINC001445596743 1066593291 /nfs/dbraw/zinc/59/32/91/1066593291.db2.gz BFATVECNEIKNOU-QHCPKHFHSA-N 1 0 456.428 4.633 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC001361249788 1066594175 /nfs/dbraw/zinc/59/41/75/1066594175.db2.gz FWHGOUARHHVFEX-UZINWLIJSA-N 1 0 489.730 4.693 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001361250024 1066595632 /nfs/dbraw/zinc/59/56/32/1066595632.db2.gz OCXQNLXVRBUVOM-QFIPXVFZSA-N 1 0 474.074 4.962 20 0 JJADRO COc1ccc2cc(/C=C/C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@H+](C)C4)cc3)ccc2c1 ZINC001456489878 1066597536 /nfs/dbraw/zinc/59/75/36/1066597536.db2.gz NEBSKPBUCCTUDP-BUAVBCDTSA-N 1 0 457.574 4.667 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCOCC2)s1 ZINC001361251223 1066598479 /nfs/dbraw/zinc/59/84/79/1066598479.db2.gz JQRDIJOYBWWRTH-QGZVFWFLSA-N 1 0 460.047 4.573 20 0 JJADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)c2C1 ZINC001361253783 1066601755 /nfs/dbraw/zinc/60/17/55/1066601755.db2.gz HTRYYRGQPNUTMD-SFHVURJKSA-N 1 0 456.384 4.875 20 0 JJADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC001456502565 1066602882 /nfs/dbraw/zinc/60/28/82/1066602882.db2.gz HCWUBQJZMFDYJC-UHFFFAOYSA-N 1 0 458.528 4.578 20 0 JJADRO CC[C@H](Sc1ccccc1)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001456503701 1066603788 /nfs/dbraw/zinc/60/37/88/1066603788.db2.gz KDIYSYIEBASCIJ-NRFANRHFSA-N 1 0 451.558 4.644 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCSC2)s1 ZINC001361257577 1066605658 /nfs/dbraw/zinc/60/56/58/1066605658.db2.gz DRNQSJGHPUDQHA-HSZRJFAPSA-N 1 0 476.115 4.966 20 0 JJADRO CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001445699060 1066605691 /nfs/dbraw/zinc/60/56/91/1066605691.db2.gz IZMPLCRZOFEVMR-OHCRRPFSSA-N 1 0 451.438 4.905 20 0 JJADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC001445705276 1066607563 /nfs/dbraw/zinc/60/75/63/1066607563.db2.gz UNMWRCPGSIKTSM-DENIHFKCSA-N 1 0 454.590 4.789 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC001361259325 1066610439 /nfs/dbraw/zinc/61/04/39/1066610439.db2.gz YLYGYVHICHVKDJ-SFTDATJTSA-N 1 0 450.631 4.560 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)s1 ZINC001361261051 1066611595 /nfs/dbraw/zinc/61/15/95/1066611595.db2.gz FQJFJQIBVUFVGW-MRXNPFEDSA-N 1 0 460.047 5.000 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCC2)s1 ZINC001361261477 1066613653 /nfs/dbraw/zinc/61/36/53/1066613653.db2.gz CIOWPTCMLCOKDN-BGYRXZFFSA-N 1 0 488.702 4.541 20 0 JJADRO Cc1ccc(CN(Cc2ccco2)c2nnc(CC(C)C)n2CC[NH+]2CCSCC2)s1 ZINC001361261861 1066614825 /nfs/dbraw/zinc/61/48/25/1066614825.db2.gz KPQALQAWKCVHHE-UHFFFAOYSA-N 1 0 459.685 4.695 20 0 JJADRO Cc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001361268642 1066621831 /nfs/dbraw/zinc/62/18/31/1066621831.db2.gz VOVKOSRCUGPAHE-GOSISDBHSA-N 1 0 457.619 4.896 20 0 JJADRO CC(C)(C)OC(=O)N(CC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)CC1CC1 ZINC001456551968 1066622890 /nfs/dbraw/zinc/62/28/90/1066622890.db2.gz RRDLCIMFLUBAFL-ABYGYWHVSA-N 1 0 477.649 4.808 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCCC2)CCO1 ZINC001546083243 1066623818 /nfs/dbraw/zinc/62/38/18/1066623818.db2.gz KZZQQTAWLGGIGB-ATIYNZHBSA-N 1 0 455.647 4.526 20 0 JJADRO Cc1ccc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC([NH2+]C(C)C)CC2)cn1 ZINC001361272426 1066626906 /nfs/dbraw/zinc/62/69/06/1066626906.db2.gz HFOUKQVFJPWEOD-UHFFFAOYSA-N 1 0 483.458 4.735 20 0 JJADRO O=C(CCc1nc2cc(Br)ccc2s1)NC1CCC([NH+]2CCCCC2)CC1 ZINC001361277346 1066634927 /nfs/dbraw/zinc/63/49/27/1066634927.db2.gz UXSAFQROCRJBNN-UHFFFAOYSA-N 1 0 450.446 4.905 20 0 JJADRO CC(C)[N@@H+]1CC[C@H](C(=O)O[C@@H]2CCOc3cc(Cl)cc(Cl)c32)[C@@H](c2cnn(C)c2)C1 ZINC001361288027 1066646351 /nfs/dbraw/zinc/64/63/51/1066646351.db2.gz GFBGXGGEVNALJX-YQVWRLOYSA-N 1 0 452.382 4.608 20 0 JJADRO CC[N@H+](C)[C@H](C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624941 1066648971 /nfs/dbraw/zinc/64/89/71/1066648971.db2.gz WGVFSBDKORFUIF-QPPBQGQZSA-N 1 0 457.659 4.955 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(-c2ccccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001492599621 1066651223 /nfs/dbraw/zinc/65/12/23/1066651223.db2.gz ZTUJHXXMYKDDMT-UHFFFAOYSA-N 1 0 462.642 4.818 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001492601769 1066657115 /nfs/dbraw/zinc/65/71/15/1066657115.db2.gz JDNWZIDRQOAASE-VXKWHMMOSA-N 1 0 471.690 4.578 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCCO2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492602554 1066658960 /nfs/dbraw/zinc/65/89/60/1066658960.db2.gz UVHCERJSPMOPEZ-RQTOMXEWSA-N 1 0 469.674 4.711 20 0 JJADRO CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546084142 1066659342 /nfs/dbraw/zinc/65/93/42/1066659342.db2.gz YMJQZBGRWUQZKE-NLFFAJNJSA-N 1 0 476.065 4.809 20 0 JJADRO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001446175914 1066668728 /nfs/dbraw/zinc/66/87/28/1066668728.db2.gz PSANRLBVSSLUFI-ROUUACIJSA-N 1 0 454.412 4.834 20 0 JJADRO C[N@@H+]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@H]1c1ccc(F)cc1 ZINC001446191859 1066672629 /nfs/dbraw/zinc/67/26/29/1066672629.db2.gz KVGBTJXDVTYSRD-FXAWDEMLSA-N 1 0 455.755 4.572 20 0 JJADRO C[N@@H+]1CC[C@@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@H]1c1ccc(F)cc1 ZINC001446191980 1066673270 /nfs/dbraw/zinc/67/32/70/1066673270.db2.gz LJUVNYMYYDBLQW-IIBYNOLFSA-N 1 0 451.489 4.948 20 0 JJADRO C[N@@H+]1CC[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001446196437 1066674298 /nfs/dbraw/zinc/67/42/98/1066674298.db2.gz SLWNANPPOMGTCV-DENIHFKCSA-N 1 0 458.603 4.513 20 0 JJADRO CC1=CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001492611491 1066674329 /nfs/dbraw/zinc/67/43/29/1066674329.db2.gz CWBLUMAONDYKGN-JOCHJYFZSA-N 1 0 486.705 4.671 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(C)C3)n2CCCC[NH+]2CCOCC2)c1 ZINC001492613410 1066675613 /nfs/dbraw/zinc/67/56/13/1066675613.db2.gz SIWQODKJVCOKLG-UHFFFAOYSA-N 1 0 467.658 4.558 20 0 JJADRO Cc1ccc(OCc2nnc(N3CCC=C(C)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1C ZINC001492613514 1066676138 /nfs/dbraw/zinc/67/61/38/1066676138.db2.gz XGKMWWHWUVMXHE-QFIPXVFZSA-N 1 0 451.640 4.995 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(F)(F)c1ccc(Br)cc1 ZINC001456732357 1066676876 /nfs/dbraw/zinc/67/68/76/1066676876.db2.gz FDYNJWXXIFNEFB-GOSISDBHSA-N 1 0 451.355 4.912 20 0 JJADRO Cc1ccc(NC(=O)c2nnc(N3CC=C(C)CC3)n2CCC[NH+](C(C)C)C(C)C)cc1C ZINC001492614134 1066677605 /nfs/dbraw/zinc/67/76/05/1066677605.db2.gz VMLKNBNOPQNINS-UHFFFAOYSA-N 1 0 452.647 4.813 20 0 JJADRO CC1=CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001492614079 1066677658 /nfs/dbraw/zinc/67/76/58/1066677658.db2.gz SUFBVVPHNJMRPQ-NRFANRHFSA-N 1 0 476.090 4.737 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456737061 1066678389 /nfs/dbraw/zinc/67/83/89/1066678389.db2.gz OOEGNEKKBKLHDJ-DNQXCXABSA-N 1 0 457.659 4.784 20 0 JJADRO COc1cc2cc(C(=O)Nc3cccc(CC[NH+]4CCC(C)CC4)c3)[nH]c2c(OC)c1OC ZINC001446245171 1066678876 /nfs/dbraw/zinc/67/88/76/1066678876.db2.gz QALYHFUVGSERED-UHFFFAOYSA-N 1 0 451.567 4.720 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=C(C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001492615075 1066679787 /nfs/dbraw/zinc/67/97/87/1066679787.db2.gz YRTASTLCPXPPEF-JTHBVZDNSA-N 1 0 488.076 4.692 20 0 JJADRO CC1=CCN(c2nnc(CCOc3ccccc3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001492619296 1066686632 /nfs/dbraw/zinc/68/66/32/1066686632.db2.gz PIKBZTFFBRYFFL-UHFFFAOYSA-N 1 0 451.659 4.814 20 0 JJADRO CC1=CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001492619705 1066687372 /nfs/dbraw/zinc/68/73/72/1066687372.db2.gz GLHBWAWJUQLDCV-UHFFFAOYSA-N 1 0 481.685 4.546 20 0 JJADRO CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001545984393 1066688872 /nfs/dbraw/zinc/68/88/72/1066688872.db2.gz JKDGINCLXLPSHH-FGZHOGPDSA-N 1 0 474.694 4.646 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2cc(Cl)ccc2Br)cc1 ZINC001446348612 1066694393 /nfs/dbraw/zinc/69/43/93/1066694393.db2.gz HPOQGYBDMSPUBI-HXUWFJFHSA-N 1 0 451.792 4.607 20 0 JJADRO CN(CCCC(=O)OC(C)(C)C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001456803935 1066695243 /nfs/dbraw/zinc/69/52/43/1066695243.db2.gz STXACARQVKLWPP-UFHPHHKVSA-N 1 0 450.623 4.657 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@@H](C)[NH+](C)C)C2)c1 ZINC001492623170 1066695397 /nfs/dbraw/zinc/69/53/97/1066695397.db2.gz YDVWMTQFRIBSNY-QUCCMNQESA-N 1 0 474.078 4.520 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccccc2COc2cccc(C=O)c2)cc1 ZINC001446358148 1066696311 /nfs/dbraw/zinc/69/63/11/1066696311.db2.gz YPXULBVAEDAMDI-MHZLTWQESA-N 1 0 458.558 4.654 20 0 JJADRO COC(=O)C1(CCCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)CCC1 ZINC001456824065 1066701804 /nfs/dbraw/zinc/70/18/04/1066701804.db2.gz HPMXUTTXZVOAIU-LEAFIULHSA-N 1 0 462.634 4.706 20 0 JJADRO CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(OC(C)C)c1)[NH+]1CCCC1 ZINC001545986196 1066706892 /nfs/dbraw/zinc/70/68/92/1066706892.db2.gz ASGRVMOUCNZVCO-ISKFKSNPSA-N 1 0 455.647 4.818 20 0 JJADRO Cc1cnc([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492631734 1066708950 /nfs/dbraw/zinc/70/89/50/1066708950.db2.gz QKGWVQJHSHJEPD-MRXNPFEDSA-N 1 0 474.625 4.636 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001546085379 1066711288 /nfs/dbraw/zinc/71/12/88/1066711288.db2.gz KHWHCRGRRXTXJX-NRFANRHFSA-N 1 0 482.492 4.650 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCCC1 ZINC001545987049 1066712148 /nfs/dbraw/zinc/71/21/48/1066712148.db2.gz OBDFBTKNZHTDCW-SFTDATJTSA-N 1 0 476.463 4.793 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCCC1 ZINC001545987048 1066712346 /nfs/dbraw/zinc/71/23/46/1066712346.db2.gz OBDFBTKNZHTDCW-RTWAWAEBSA-N 1 0 476.463 4.793 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(C(C)C)n3Cc3ccccc3OCC[NH+](C)C)CC2)s1 ZINC001492633040 1066712487 /nfs/dbraw/zinc/71/24/87/1066712487.db2.gz SOPNTZXJCMNROP-UHFFFAOYSA-N 1 0 468.671 4.539 20 0 JJADRO Cc1cnc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)s1 ZINC001492633149 1066713429 /nfs/dbraw/zinc/71/34/29/1066713429.db2.gz VOAXJVVNPQUCHD-IOMROCGXSA-N 1 0 474.719 4.732 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC001492633466 1066714470 /nfs/dbraw/zinc/71/44/70/1066714470.db2.gz ZXCJXKNTJRDHNH-HDICACEKSA-N 1 0 474.719 4.612 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001546085486 1066715783 /nfs/dbraw/zinc/71/57/83/1066715783.db2.gz LYQDEVPMUPNTQI-QFIPXVFZSA-N 1 0 482.442 4.582 20 0 JJADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001456895543 1066716402 /nfs/dbraw/zinc/71/64/02/1066716402.db2.gz WFNVIDYMPBUKNF-INIZCTEOSA-N 1 0 452.382 4.657 20 0 JJADRO Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@@H+](CC(C)C)C3)CCO2)n1 ZINC001492641905 1066735458 /nfs/dbraw/zinc/73/54/58/1066735458.db2.gz PIFNMAQRLMLWAD-SFTDATJTSA-N 1 0 474.719 4.578 20 0 JJADRO O=C(COc1ccc(F)c(Cl)c1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981438 1066735594 /nfs/dbraw/zinc/73/55/94/1066735594.db2.gz GJNCYLWPZYRFEN-QGZVFWFLSA-N 1 0 458.883 4.771 20 0 JJADRO Cc1csc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)n1 ZINC001492642346 1066735863 /nfs/dbraw/zinc/73/58/63/1066735863.db2.gz NUWLCXBNVQDPOD-IOMROCGXSA-N 1 0 474.719 4.732 20 0 JJADRO Cc1csc([C@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@H](C)[NH+](C)C)C2)n1 ZINC001492643009 1066737872 /nfs/dbraw/zinc/73/78/72/1066737872.db2.gz XJQDGKSESYQUAX-HKUYNNGSSA-N 1 0 459.063 4.621 20 0 JJADRO Cc1csc(CCCCn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001492644177 1066741105 /nfs/dbraw/zinc/74/11/05/1066741105.db2.gz YPAODDIDUVDRPK-UHFFFAOYSA-N 1 0 489.089 4.829 20 0 JJADRO CCC[C@@H]1CN(C(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001446813950 1066743818 /nfs/dbraw/zinc/74/38/18/1066743818.db2.gz JQCMYLVUXBIQKH-NVECHQRWSA-N 1 0 455.643 4.703 20 0 JJADRO Cc1csc(CN(C)c2nnc(C(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001492645014 1066744957 /nfs/dbraw/zinc/74/49/57/1066744957.db2.gz IBSUXQREEHEMBJ-NRFANRHFSA-N 1 0 452.672 4.619 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001492645869 1066747847 /nfs/dbraw/zinc/74/78/47/1066747847.db2.gz LUMBHMYXKKGPHP-PMACEKPBSA-N 1 0 453.656 4.839 20 0 JJADRO Cc1ccc(C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)cc1N1CCOCC1 ZINC001457033453 1066748950 /nfs/dbraw/zinc/74/89/50/1066748950.db2.gz FKXOLAJYXALUFO-UHFFFAOYSA-N 1 0 457.618 4.606 20 0 JJADRO Cc1csc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001492648399 1066753950 /nfs/dbraw/zinc/75/39/50/1066753950.db2.gz UTSHVGDAKWKHJJ-IBGZPJMESA-N 1 0 457.619 4.734 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccccc1CSC1=NCCS1 ZINC001446914941 1066756461 /nfs/dbraw/zinc/75/64/61/1066756461.db2.gz XSRZJHPGLZGDPR-UHFFFAOYSA-N 1 0 454.665 4.796 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545990775 1066757589 /nfs/dbraw/zinc/75/75/89/1066757589.db2.gz YFNOPCORUYCSGB-GGAORHGYSA-N 1 0 487.664 4.727 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001457087711 1066758761 /nfs/dbraw/zinc/75/87/61/1066758761.db2.gz DVRCNPZVARDBBX-WZONZLPQSA-N 1 0 454.039 4.957 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001457103050 1066762880 /nfs/dbraw/zinc/76/28/80/1066762880.db2.gz RNJDZKMDPBYNDH-JXALWOEJSA-N 1 0 451.611 4.913 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001457103164 1066762991 /nfs/dbraw/zinc/76/29/91/1066762991.db2.gz RSFMGWHJSWVZCR-JXFKEZNVSA-N 1 0 454.368 4.745 20 0 JJADRO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001457128462 1066768212 /nfs/dbraw/zinc/76/82/12/1066768212.db2.gz XJZBXUOGSFQLTG-INIZCTEOSA-N 1 0 451.995 4.690 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NC(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)c1 ZINC001457147921 1066773197 /nfs/dbraw/zinc/77/31/97/1066773197.db2.gz NNSIZXVTGDPCCZ-UHFFFAOYSA-N 1 0 453.583 4.957 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCCCC2)CCO1 ZINC001546087597 1066774024 /nfs/dbraw/zinc/77/40/24/1066774024.db2.gz PASRVDBJXQXMPV-XMMPIXPASA-N 1 0 476.065 4.877 20 0 JJADRO O=C(NCCOc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001447112591 1066775540 /nfs/dbraw/zinc/77/55/40/1066775540.db2.gz XOKYHVNQRLKEMU-INIZCTEOSA-N 1 0 450.204 4.658 20 0 JJADRO CC(=O)Nc1ccc(C(=O)NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)cc1Cl ZINC001457161234 1066776241 /nfs/dbraw/zinc/77/62/41/1066776241.db2.gz FKJVQYMZWHGETH-UHFFFAOYSA-N 1 0 458.002 4.872 20 0 JJADRO Cc1nc(C)c(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC001492660158 1066777521 /nfs/dbraw/zinc/77/75/21/1066777521.db2.gz IRVOJDIXIGDWBQ-UHFFFAOYSA-N 1 0 486.661 4.674 20 0 JJADRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(C(F)(F)F)ccc1Br ZINC001447153474 1066778427 /nfs/dbraw/zinc/77/84/27/1066778427.db2.gz MNEMPZLKVXFJQR-UHFFFAOYSA-N 1 0 457.290 4.677 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001546087994 1066778536 /nfs/dbraw/zinc/77/85/36/1066778536.db2.gz XZXIXEWWOQALAO-NRFANRHFSA-N 1 0 452.430 4.742 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001492661014 1066779335 /nfs/dbraw/zinc/77/93/35/1066779335.db2.gz BJJQLFAZTRLMBT-HZPDHXFCSA-N 1 0 460.598 4.594 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2C[C@H](C)C[NH+]2CCCC2)cs1 ZINC001492661479 1066780762 /nfs/dbraw/zinc/78/07/62/1066780762.db2.gz ISJHJADSVNTFRJ-SJORKVTESA-N 1 0 474.625 4.841 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001492661650 1066780856 /nfs/dbraw/zinc/78/08/56/1066780856.db2.gz KQQAFSNDTUPFDX-HZPDHXFCSA-N 1 0 460.598 4.594 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CCC[NH+]2CCCC2)cs1 ZINC001492662167 1066781907 /nfs/dbraw/zinc/78/19/07/1066781907.db2.gz PPQIWZBGKVMEKX-INIZCTEOSA-N 1 0 460.598 4.595 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@H](c2ccco2)[NH+](C)C)cs1 ZINC001492662875 1066782780 /nfs/dbraw/zinc/78/27/80/1066782780.db2.gz ZDLWSPXOYJJWGP-CRAIPNDOSA-N 1 0 456.641 4.789 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n2CC(C)C)cs1 ZINC001492663764 1066784115 /nfs/dbraw/zinc/78/41/15/1066784115.db2.gz JFZRTJIIRNLVKQ-AUSIDOKSSA-N 1 0 452.672 4.779 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195871 1066784965 /nfs/dbraw/zinc/78/49/65/1066784965.db2.gz MIMMBYYJFJGHBJ-LADGPHEKSA-N 1 0 457.659 4.893 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CC(C)(C)[NH+]2CCCCC2)cs1 ZINC001492664714 1066785528 /nfs/dbraw/zinc/78/55/28/1066785528.db2.gz OOAHHLPUSASRFN-QGZVFWFLSA-N 1 0 473.716 4.595 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CC[NH+]2CCCCC2)cs1 ZINC001492665880 1066788425 /nfs/dbraw/zinc/78/84/25/1066788425.db2.gz BWMVEMJSVYHKDG-UHFFFAOYSA-N 1 0 463.026 4.549 20 0 JJADRO CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001447300265 1066788770 /nfs/dbraw/zinc/78/87/70/1066788770.db2.gz BRPXYZDXPMJELO-RTWAWAEBSA-N 1 0 451.442 4.884 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001492665995 1066788771 /nfs/dbraw/zinc/78/87/71/1066788771.db2.gz DJMZAQWNEXHOOT-SJORKVTESA-N 1 0 474.625 4.669 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001492665993 1066788963 /nfs/dbraw/zinc/78/89/63/1066788963.db2.gz DJMZAQWNEXHOOT-IRXDYDNUSA-N 1 0 474.625 4.669 20 0 JJADRO CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001447300262 1066788922 /nfs/dbraw/zinc/78/89/22/1066788922.db2.gz BRPXYZDXPMJELO-NHCUHLMSSA-N 1 0 451.442 4.884 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC[C@@H](C)[NH+]2CCCCC2)cs1 ZINC001492666328 1066791001 /nfs/dbraw/zinc/79/10/01/1066791001.db2.gz PSTXBVJOBOFMGI-MRXNPFEDSA-N 1 0 492.615 4.952 20 0 JJADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC001447322554 1066792513 /nfs/dbraw/zinc/79/25/13/1066792513.db2.gz SQYJDCWIEANRAY-UHFFFAOYSA-N 1 0 455.965 4.756 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC001457227655 1066794543 /nfs/dbraw/zinc/79/45/43/1066794543.db2.gz KJDYXRNGLIDKAY-RHSMWYFYSA-N 1 0 453.327 4.833 20 0 JJADRO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001545994758 1066795971 /nfs/dbraw/zinc/79/59/71/1066795971.db2.gz FONCBEWAKIQDCG-FQEVSTJZSA-N 1 0 476.710 4.625 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCC(F)F)n2C[C@@H](c2ccccc2)[NH+]2CCCC2)cs1 ZINC001492668341 1066795903 /nfs/dbraw/zinc/79/59/03/1066795903.db2.gz HBOGXZGHKHCQII-FQEVSTJZSA-N 1 0 460.598 4.562 20 0 JJADRO Cc1nc(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cs1 ZINC001492669553 1066798175 /nfs/dbraw/zinc/79/81/75/1066798175.db2.gz AXDVQFMWDJFWMF-LJQANCHMSA-N 1 0 456.660 4.762 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)Oc1cccc(F)c1 ZINC001545994936 1066798559 /nfs/dbraw/zinc/79/85/59/1066798559.db2.gz JFCCGNARWUMWEM-FYYLOGMGSA-N 1 0 457.638 4.786 20 0 JJADRO CS[C@H]1CN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)C[C@@H]1[NH+]1CCCC1 ZINC001447366508 1066799823 /nfs/dbraw/zinc/79/98/23/1066799823.db2.gz XMKCKKYCWJHTPD-IRXDYDNUSA-N 1 0 456.464 4.698 20 0 JJADRO Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001492670496 1066800672 /nfs/dbraw/zinc/80/06/72/1066800672.db2.gz VVBIGANZKZUQGF-RTBURBONSA-N 1 0 460.692 4.702 20 0 JJADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001457281059 1066803154 /nfs/dbraw/zinc/80/31/54/1066803154.db2.gz XEWJCJXRYJVYJM-WIXQSORDSA-N 1 0 452.426 4.511 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C(C)C)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cs1 ZINC001492673425 1066806733 /nfs/dbraw/zinc/80/67/33/1066806733.db2.gz SWSYKWDEOVMAAY-NRFANRHFSA-N 1 0 458.720 4.874 20 0 JJADRO CC1(C)CCN(C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC001457316647 1066808856 /nfs/dbraw/zinc/80/88/56/1066808856.db2.gz ZFRAIBJFCOHJLE-UHFFFAOYSA-N 1 0 456.427 4.562 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2cccc(C(C)(F)F)c2)cs1 ZINC001492675748 1066811527 /nfs/dbraw/zinc/81/15/27/1066811527.db2.gz JQCBRFWIDGTLOP-UHFFFAOYSA-N 1 0 474.625 4.761 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(F)(F)CC3)n2CCC[N@@H+](C)C2CCCCC2)cs1 ZINC001492675481 1066812693 /nfs/dbraw/zinc/81/26/93/1066812693.db2.gz ZUWNLOSFEGEEET-UHFFFAOYSA-N 1 0 452.619 4.524 20 0 JJADRO CN1CC[NH+](CC2(C)CCN(C(=O)/C(=C\c3cccc(Cl)c3)c3cccs3)CC2)CC1 ZINC001447485499 1066814024 /nfs/dbraw/zinc/81/40/24/1066814024.db2.gz JELXCUMOLQINHO-PYCFMQQDSA-N 1 0 458.071 4.818 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001492676840 1066814658 /nfs/dbraw/zinc/81/46/58/1066814658.db2.gz POEIHCXBKZWERD-ROUUACIJSA-N 1 0 470.609 4.533 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC4(C3)CCC(F)(F)CC4)n2CCC[N@@H+](C)C(C)C)cs1 ZINC001492677193 1066815914 /nfs/dbraw/zinc/81/59/14/1066815914.db2.gz YTXFIUQWUHZHPJ-UHFFFAOYSA-N 1 0 466.646 4.770 20 0 JJADRO CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001545997289 1066821961 /nfs/dbraw/zinc/82/19/61/1066821961.db2.gz MPRCRBGFNBMTTR-KRWDZBQOSA-N 1 0 453.528 4.503 20 0 JJADRO CCCOc1nc2ccccc2cc1/C=C/C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC001447569097 1066823215 /nfs/dbraw/zinc/82/32/15/1066823215.db2.gz RGDZLANNARPSPX-OUKQBFOZSA-N 1 0 459.590 4.805 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492681303 1066823610 /nfs/dbraw/zinc/82/36/10/1066823610.db2.gz RYFRWKOGJJXZMD-UHFFFAOYSA-N 1 0 484.636 4.925 20 0 JJADRO Cc1cc(-c2csc(NC(=O)CCC[NH+]3CCN(c4ccccc4)CC3)n2)c(F)cc1F ZINC001457404000 1066823649 /nfs/dbraw/zinc/82/36/49/1066823649.db2.gz XPENNPGSPMSRTP-UHFFFAOYSA-N 1 0 456.562 4.938 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H](c2ccccc2)[NH+](C)C)cs1 ZINC001492681931 1066824208 /nfs/dbraw/zinc/82/42/08/1066824208.db2.gz LFTJNUZTPLTCMX-ATIYNZHBSA-N 1 0 482.698 4.578 20 0 JJADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)/C(=C/c1cccc(Cl)c1)c1cccs1 ZINC001447580863 1066825604 /nfs/dbraw/zinc/82/56/04/1066825604.db2.gz DSLFHYOOIQJWMD-ZZAWEDPDSA-N 1 0 453.007 4.825 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCC[NH+](C(C)C)C(C)C)cs1 ZINC001492683552 1066825882 /nfs/dbraw/zinc/82/58/82/1066825882.db2.gz BGKBGNPTNRVJGW-VQIMIIECSA-N 1 0 472.625 4.777 20 0 JJADRO Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccccc3C[N@@H+](C)C(C)C)C2)no1 ZINC001492685074 1066829162 /nfs/dbraw/zinc/82/91/62/1066829162.db2.gz OSOSIMZYIYIPFL-QFIPXVFZSA-N 1 0 493.700 4.906 20 0 JJADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2scc(Br)c2c1 ZINC001447623259 1066830285 /nfs/dbraw/zinc/83/02/85/1066830285.db2.gz YPTVXUCLVGIKLJ-GOSISDBHSA-N 1 0 459.409 4.551 20 0 JJADRO Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001457430742 1066830715 /nfs/dbraw/zinc/83/07/15/1066830715.db2.gz VMIBUADQANWXKC-UHFFFAOYSA-N 1 0 453.384 4.913 20 0 JJADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001457462413 1066835771 /nfs/dbraw/zinc/83/57/71/1066835771.db2.gz GRPMLLLOSXMIJI-GOTSBHOMSA-N 1 0 456.428 4.539 20 0 JJADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001457462443 1066835835 /nfs/dbraw/zinc/83/58/35/1066835835.db2.gz GRPMLLLOSXMIJI-XZOQPEGZSA-N 1 0 456.428 4.539 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc(C(C)C)n2CCc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC001492695391 1066842196 /nfs/dbraw/zinc/84/21/96/1066842196.db2.gz ZVDXHAYLXLWJFW-HSZRJFAPSA-N 1 0 468.671 4.691 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)cc1 ZINC001457501486 1066844211 /nfs/dbraw/zinc/84/42/11/1066844211.db2.gz CIRHRMCKHJPKEL-GDLZYMKVSA-N 1 0 455.602 4.726 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@]23C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)cc1 ZINC001457503634 1066844938 /nfs/dbraw/zinc/84/49/38/1066844938.db2.gz NNSDMFCYQYWINF-SXDGJLEOSA-N 1 0 463.622 4.725 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC001492697617 1066849703 /nfs/dbraw/zinc/84/97/03/1066849703.db2.gz ANICCLWSQMAPMZ-AZUAARDMSA-N 1 0 452.672 4.699 20 0 JJADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001447742444 1066850822 /nfs/dbraw/zinc/85/08/22/1066850822.db2.gz LAEMZZYQEVGNHI-UHFFFAOYSA-N 1 0 457.412 4.866 20 0 JJADRO CCCCOc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)cc1Cl ZINC001447754878 1066853457 /nfs/dbraw/zinc/85/34/57/1066853457.db2.gz ZRJCEVWLNPRIAA-NVQXNPDNSA-N 1 0 457.014 4.674 20 0 JJADRO Cc1c(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001457537635 1066854231 /nfs/dbraw/zinc/85/42/31/1066854231.db2.gz NLXCQDAYMGYQFI-JOCHJYFZSA-N 1 0 456.512 4.936 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC001447797927 1066860184 /nfs/dbraw/zinc/86/01/84/1066860184.db2.gz JLARANCRCCNJHB-AOIWGVFYSA-N 1 0 454.455 4.688 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC001447797933 1066860322 /nfs/dbraw/zinc/86/03/22/1066860322.db2.gz JLARANCRCCNJHB-JENIJYKNSA-N 1 0 454.455 4.688 20 0 JJADRO Cc1nccn1CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001492704722 1066863833 /nfs/dbraw/zinc/86/38/33/1066863833.db2.gz LLSIOAAVSKWHED-XMMPIXPASA-N 1 0 469.722 4.800 20 0 JJADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)[NH+](C)C ZINC001447818801 1066865659 /nfs/dbraw/zinc/86/56/59/1066865659.db2.gz OGLGNARQGIVRQY-KDYSTLNUSA-N 1 0 453.590 4.723 20 0 JJADRO Cc1nccn1CCCn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001492709892 1066874651 /nfs/dbraw/zinc/87/46/51/1066874651.db2.gz XBLWLXBFGARIGJ-URXFXBBRSA-N 1 0 463.674 4.660 20 0 JJADRO CCn1cc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c(=O)c2cc(Cl)ccc21 ZINC001457600166 1066875427 /nfs/dbraw/zinc/87/54/27/1066875427.db2.gz NUPWQDWQRRLOLC-UHFFFAOYSA-N 1 0 451.998 4.981 20 0 JJADRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC001457602947 1066875976 /nfs/dbraw/zinc/87/59/76/1066875976.db2.gz HKWNTGTVPIKUFV-XCZPVHLTSA-N 1 0 471.601 4.794 20 0 JJADRO Cc1nccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001492710834 1066877031 /nfs/dbraw/zinc/87/70/31/1066877031.db2.gz DCQOYJGIEBOYFT-XUZZJYLKSA-N 1 0 463.674 4.561 20 0 JJADRO O=C(OCc1ccccc1)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001447921788 1066877548 /nfs/dbraw/zinc/87/75/48/1066877548.db2.gz RCQRMUNIEUOTCX-KAYWLYCHSA-N 1 0 456.586 4.685 20 0 JJADRO O=C(OCc1ccccc1)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001447921792 1066877605 /nfs/dbraw/zinc/87/76/05/1066877605.db2.gz RCQRMUNIEUOTCX-RRPNLBNLSA-N 1 0 456.586 4.685 20 0 JJADRO CCO[C@@H]1COCC[C@@H]1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C ZINC001457610613 1066877919 /nfs/dbraw/zinc/87/79/19/1066877919.db2.gz GUROXXLXEMTWAL-BVYCBKJFSA-N 1 0 459.458 4.740 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCc2nn(C)cc21)[NH+](C)C ZINC001457610953 1066877952 /nfs/dbraw/zinc/87/79/52/1066877952.db2.gz IFXCBBOTOVFBDR-VGOFRKELSA-N 1 0 451.442 4.762 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1noc2ccc(Br)cc21 ZINC001457613833 1066879091 /nfs/dbraw/zinc/87/90/91/1066879091.db2.gz RGPZYVSRGJNQAM-UHFFFAOYSA-N 1 0 450.402 4.565 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001447956313 1066882102 /nfs/dbraw/zinc/88/21/02/1066882102.db2.gz BWHFGMCFYSAACF-LPHOPBHVSA-N 1 0 457.537 4.556 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001492716915 1066882671 /nfs/dbraw/zinc/88/26/71/1066882671.db2.gz CSJPNCGVMPWNMQ-OAQYLSRUSA-N 1 0 497.663 4.808 20 0 JJADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc2[nH]cc(I)c2c1 ZINC001447960846 1066883407 /nfs/dbraw/zinc/88/34/07/1066883407.db2.gz YGDYLCQUFCOXIN-UHFFFAOYSA-N 1 0 453.368 4.547 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2F)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492718666 1066887296 /nfs/dbraw/zinc/88/72/96/1066887296.db2.gz NXRGDXMOERWNES-XHCCPWGMSA-N 1 0 481.664 4.505 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001492718988 1066887879 /nfs/dbraw/zinc/88/78/79/1066887879.db2.gz CDZFRKZYRCNKMZ-JOCHJYFZSA-N 1 0 455.695 4.651 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1([NH+](C)C)CCC1 ZINC001492718625 1066887913 /nfs/dbraw/zinc/88/79/13/1066887913.db2.gz MVNRNZKAVFNHDG-UHFFFAOYSA-N 1 0 493.700 4.626 20 0 JJADRO CCOc1ccc([C@@H](NC(=O)CCCN2CC[NH+](C(C)C)CC2)c2cccc(Cl)c2)cc1 ZINC001546002191 1066890557 /nfs/dbraw/zinc/89/05/57/1066890557.db2.gz CBEINJHPNKRPTP-AREMUKBSSA-N 1 0 458.046 4.751 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001448021115 1066891031 /nfs/dbraw/zinc/89/10/31/1066891031.db2.gz FKPDNORCBXRVAX-NHCUHLMSSA-N 1 0 456.455 4.967 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001448029184 1066892368 /nfs/dbraw/zinc/89/23/68/1066892368.db2.gz QLWZEKONZWLCSM-KSFYIVLOSA-N 1 0 455.400 4.673 20 0 JJADRO CC[NH+]1CCN(c2cccc(NC(=O)CCCC(=O)c3ccc(Br)cc3)c2)CC1 ZINC001448054736 1066894722 /nfs/dbraw/zinc/89/47/22/1066894722.db2.gz OSOZIYNQSGQUDB-UHFFFAOYSA-N 1 0 458.400 4.583 20 0 JJADRO Cc1cc(C)n(-c2ccccc2Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2C(C)(C)C)n1 ZINC001492728651 1066898243 /nfs/dbraw/zinc/89/82/43/1066898243.db2.gz ISOQUBBZZOVPFP-UHFFFAOYSA-N 1 0 463.674 4.737 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](C)[NH+]3CCC(C)CC3)C2)n1 ZINC001492730706 1066901061 /nfs/dbraw/zinc/90/10/61/1066901061.db2.gz BQTUUMUNADGTMB-XZOQPEGZSA-N 1 0 455.695 4.642 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001492731716 1066902892 /nfs/dbraw/zinc/90/28/92/1066902892.db2.gz DDXCVLMQICWHRF-OAQYLSRUSA-N 1 0 467.637 4.741 20 0 JJADRO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001448128707 1066903179 /nfs/dbraw/zinc/90/31/79/1066903179.db2.gz VKBJDAKYMDHPCZ-QFIPXVFZSA-N 1 0 454.412 4.739 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3CCC[N@H+](C)Cc3ccccc3)C2)n1 ZINC001492731784 1066903206 /nfs/dbraw/zinc/90/32/06/1066903206.db2.gz XAXXZCJQDPCBHW-RUZDIDTESA-N 1 0 463.674 4.654 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492732809 1066906155 /nfs/dbraw/zinc/90/61/55/1066906155.db2.gz WKMAUZSWJJMMRR-IMSXRSKXSA-N 1 0 463.674 4.705 20 0 JJADRO CCn1c2cc(Br)ccc2nc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001457734310 1066906778 /nfs/dbraw/zinc/90/67/78/1066906778.db2.gz YLFIZVQJPDPJGG-INIZCTEOSA-N 1 0 459.363 4.809 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n2CCC(C)(F)F)n1 ZINC001492733268 1066906872 /nfs/dbraw/zinc/90/68/72/1066906872.db2.gz GPPZDQOXZRQTQR-REWPJTCUSA-N 1 0 485.627 4.674 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001492733724 1066907459 /nfs/dbraw/zinc/90/74/59/1066907459.db2.gz RKFFNFYQKXVPGJ-HYBUGGRVSA-N 1 0 455.695 4.809 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001492733725 1066907548 /nfs/dbraw/zinc/90/75/48/1066907548.db2.gz RKFFNFYQKXVPGJ-RDPSFJRHSA-N 1 0 455.695 4.809 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001492735635 1066909431 /nfs/dbraw/zinc/90/94/31/1066909431.db2.gz DFRPDGDOUVVMOI-HXUWFJFHSA-N 1 0 476.094 4.611 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001492735608 1066909486 /nfs/dbraw/zinc/90/94/86/1066909486.db2.gz CHHHHXKOFNOALI-HXUWFJFHSA-N 1 0 469.684 4.510 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492735989 1066910015 /nfs/dbraw/zinc/91/00/15/1066910015.db2.gz QEKOUMGDRIFQRB-UHFFFAOYSA-N 1 0 469.703 4.658 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492736146 1066910784 /nfs/dbraw/zinc/91/07/84/1066910784.db2.gz VXJVXJFQBOAQGT-QFIPXVFZSA-N 1 0 488.055 4.689 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)CCCCc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492739388 1066913938 /nfs/dbraw/zinc/91/39/38/1066913938.db2.gz HMCMJOAFZQNZDK-RUZDIDTESA-N 1 0 477.701 4.719 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001492739963 1066914905 /nfs/dbraw/zinc/91/49/05/1066914905.db2.gz CWBDNAIZKBXTJM-VWLOTQADSA-N 1 0 481.664 4.814 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)NCC[N@H+]3CCC[C@@H]3C)cc12 ZINC001457775043 1066917003 /nfs/dbraw/zinc/91/70/03/1066917003.db2.gz UVMQJQBDAYMWQX-ZDUSSCGKSA-N 1 0 451.423 4.975 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492742995 1066918392 /nfs/dbraw/zinc/91/83/92/1066918392.db2.gz KMRIJXAZHIPHLT-ROUUACIJSA-N 1 0 493.622 4.595 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H](c2cccnc2)C(C)C)n1 ZINC001492746527 1066922302 /nfs/dbraw/zinc/92/23/02/1066922302.db2.gz VUMONMHCDDBNIB-SANMLTNESA-N 1 0 492.716 4.531 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCc4c(F)cc(F)cc4[C@@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001492747485 1066922668 /nfs/dbraw/zinc/92/26/68/1066922668.db2.gz BNKQZAWKLUZQAW-PZJWPPBQSA-N 1 0 485.627 4.518 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC001448406915 1066924488 /nfs/dbraw/zinc/92/44/88/1066924488.db2.gz SCFHWBZUSPTKBE-JWQCQUIFSA-N 1 0 452.982 4.762 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3ccco3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492750778 1066925617 /nfs/dbraw/zinc/92/56/17/1066925617.db2.gz IVCVQEDZVRVLMO-JOCHJYFZSA-N 1 0 453.635 4.583 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492751236 1066925983 /nfs/dbraw/zinc/92/59/83/1066925983.db2.gz VGIRZPRJUWNFNF-WOJBJXKFSA-N 1 0 481.611 4.744 20 0 JJADRO Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC001492766249 1066938527 /nfs/dbraw/zinc/93/85/27/1066938527.db2.gz GLYSJWKJHJRKEX-NFBKMPQASA-N 1 0 481.714 4.759 20 0 JJADRO Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492775969 1066946511 /nfs/dbraw/zinc/94/65/11/1066946511.db2.gz NLNBNWSPOCDNOG-OALUTQOASA-N 1 0 466.424 4.860 20 0 JJADRO Cc1nnc(N(C)Cc2ccc(Br)o2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001492779475 1066947549 /nfs/dbraw/zinc/94/75/49/1066947549.db2.gz FNWDHFYLRZRNLF-FQEVSTJZSA-N 1 0 472.431 4.881 20 0 JJADRO Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492779938 1066947726 /nfs/dbraw/zinc/94/77/26/1066947726.db2.gz WEGPWRMLCPLBMM-UHFFFAOYSA-N 1 0 454.482 4.805 20 0 JJADRO Cc1nnc(N(C)CCCOc2ccc(F)cc2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001492786244 1066948992 /nfs/dbraw/zinc/94/89/92/1066948992.db2.gz JUNIVKJOISTCPC-AUSIDOKSSA-N 1 0 457.619 4.776 20 0 JJADRO Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001492798230 1066951350 /nfs/dbraw/zinc/95/13/50/1066951350.db2.gz BIINCSCDHZXIRZ-FQEVSTJZSA-N 1 0 484.689 4.605 20 0 JJADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccnc(Cl)c2Br)CC1 ZINC001448689632 1066952216 /nfs/dbraw/zinc/95/22/16/1066952216.db2.gz WILSAKQCAXJFEM-UHFFFAOYSA-N 1 0 451.796 4.528 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001546095198 1066952503 /nfs/dbraw/zinc/95/25/03/1066952503.db2.gz IMCXQFVWBQMZAI-NLFFAJNJSA-N 1 0 460.066 4.648 20 0 JJADRO Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001492799506 1066952543 /nfs/dbraw/zinc/95/25/43/1066952543.db2.gz GSUSJJLJEFJBOR-RDPSFJRHSA-N 1 0 460.066 4.558 20 0 JJADRO Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492800912 1066952905 /nfs/dbraw/zinc/95/29/05/1066952905.db2.gz NWHKYZBVNDYUIV-TUACAJSNSA-N 1 0 453.675 4.917 20 0 JJADRO C[C@H](CC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448724623 1066953822 /nfs/dbraw/zinc/95/38/22/1066953822.db2.gz VVTLBYDCKSCCRP-MRCUYLHHSA-N 1 0 457.659 4.688 20 0 JJADRO C[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001458000127 1066955427 /nfs/dbraw/zinc/95/54/27/1066955427.db2.gz LSPHVGHUNCKRLL-ZFGGDYGUSA-N 1 0 451.611 4.764 20 0 JJADRO Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001492843609 1066956682 /nfs/dbraw/zinc/95/66/82/1066956682.db2.gz HZCPJJZMNYBOBK-AEFFLSMTSA-N 1 0 482.551 4.888 20 0 JJADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)NCC[N@H+]1CC=CCC1 ZINC001448783415 1066957559 /nfs/dbraw/zinc/95/75/59/1066957559.db2.gz ILKXMEMUUXVSGE-MQSCRBSSSA-N 1 0 458.668 4.774 20 0 JJADRO Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001492911547 1066960332 /nfs/dbraw/zinc/96/03/32/1066960332.db2.gz KECAXYGXNGYKNN-UHFFFAOYSA-N 1 0 453.965 4.590 20 0 JJADRO CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](CC2CCCCC2)CC1)OC ZINC001546009988 1066963935 /nfs/dbraw/zinc/96/39/35/1066963935.db2.gz CLKSWZYDKDPNNW-XMMPIXPASA-N 1 0 469.674 4.601 20 0 JJADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC)[C@@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702465 1066965303 /nfs/dbraw/zinc/96/53/03/1066965303.db2.gz DADDWUBJKSBORR-GBXCKJPGSA-N 1 0 452.595 4.547 20 0 JJADRO CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)OC ZINC001546010305 1066967565 /nfs/dbraw/zinc/96/75/65/1066967565.db2.gz JWVLVCFOANMFJH-RUZDIDTESA-N 1 0 483.701 4.991 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C(C)(C)c2cccc(Cl)c2)ccc1Cl ZINC001458080226 1066969749 /nfs/dbraw/zinc/96/97/49/1066969749.db2.gz YITZREMNYUCBDT-UHFFFAOYSA-N 1 0 450.410 4.981 20 0 JJADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001448920949 1066969984 /nfs/dbraw/zinc/96/99/84/1066969984.db2.gz KNKNOROGNDFGMY-UHFFFAOYSA-N 1 0 457.345 4.939 20 0 JJADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(Cl)c(Br)cc1F ZINC001448922953 1066970117 /nfs/dbraw/zinc/97/01/17/1066970117.db2.gz OTDOKGUEKDQNPG-UHFFFAOYSA-N 1 0 457.693 4.777 20 0 JJADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1nc2ccccc2cc1Br ZINC001448923436 1066970558 /nfs/dbraw/zinc/97/05/58/1066970558.db2.gz RHXVZHILPYRUMW-UHFFFAOYSA-N 1 0 456.306 4.532 20 0 JJADRO CC(C)C[C@@](C)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC001448930721 1066971574 /nfs/dbraw/zinc/97/15/74/1066971574.db2.gz AIWWFMNXSCSQHZ-PSGUAHCZSA-N 1 0 451.449 4.718 20 0 JJADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C(F)(F)F ZINC001458093053 1066972570 /nfs/dbraw/zinc/97/25/70/1066972570.db2.gz INVRFIMIFMIPHU-LJQANCHMSA-N 1 0 458.484 4.675 20 0 JJADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(Br)ccc1C ZINC001458093310 1066972819 /nfs/dbraw/zinc/97/28/19/1066972819.db2.gz LAHSGTQRIIXRDA-HXUWFJFHSA-N 1 0 453.384 4.962 20 0 JJADRO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545719816 1066973879 /nfs/dbraw/zinc/97/38/79/1066973879.db2.gz MVIZUSARJWUZTF-BKYGCCQFSA-N 1 0 494.728 4.968 20 0 JJADRO COC(C)(C)c1nc(C)c(C(=O)Nc2c(C)cnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001458096331 1066974227 /nfs/dbraw/zinc/97/42/27/1066974227.db2.gz YIXGQFHRELDZKG-LJQANCHMSA-N 1 0 453.612 4.537 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2c(C)noc2C)n1C[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545721542 1066975563 /nfs/dbraw/zinc/97/55/63/1066975563.db2.gz BTRCLACRDWKHKQ-GOTSBHOMSA-N 1 0 450.631 4.936 20 0 JJADRO CC[C@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545722604 1066978074 /nfs/dbraw/zinc/97/80/74/1066978074.db2.gz XISNXZMQXNJQTC-GGAORHGYSA-N 1 0 495.741 4.542 20 0 JJADRO CC[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1c(C)nn(C)c1C)[NH+]1CCCC1 ZINC001545722702 1066978778 /nfs/dbraw/zinc/97/87/78/1066978778.db2.gz YYGZMRKPJVHPPT-ZEQRLZLVSA-N 1 0 463.674 4.681 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2cc(C)on2)n1CCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545723544 1066979099 /nfs/dbraw/zinc/97/90/99/1066979099.db2.gz BCRBCAFAJWESIR-XMMPIXPASA-N 1 0 450.631 4.875 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545724404 1066980936 /nfs/dbraw/zinc/98/09/36/1066980936.db2.gz PWRLIQBPRLQRHP-LJQANCHMSA-N 1 0 493.681 4.755 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCCOC2)n1CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545724779 1066981718 /nfs/dbraw/zinc/98/17/18/1066981718.db2.gz WYAJOYMAFQGAFB-GIFXNVAJSA-N 1 0 453.675 4.947 20 0 JJADRO COc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001458122372 1066981971 /nfs/dbraw/zinc/98/19/71/1066981971.db2.gz BKVIPHDPVGHHNH-GOSISDBHSA-N 1 0 456.493 4.501 20 0 JJADRO CC[NH+](CC)[C@@H](CNc1ccc2c(c1)S(=O)(=O)N=C2Cl)c1ccc(C(F)(F)F)cc1 ZINC001458129942 1066984380 /nfs/dbraw/zinc/98/43/80/1066984380.db2.gz HPYCREMAFYMFMO-KRWDZBQOSA-N 1 0 459.921 4.888 20 0 JJADRO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1=O ZINC001449165165 1066986684 /nfs/dbraw/zinc/98/66/84/1066986684.db2.gz QFTNTQVAMYDBLQ-CEWLAPEOSA-N 1 0 456.030 4.668 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2cccnc2Nc2ccccc2F)c1 ZINC001449172938 1066987625 /nfs/dbraw/zinc/98/76/25/1066987625.db2.gz XTOKSSOPBBIAJH-UHFFFAOYSA-N 1 0 450.514 4.715 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001449176970 1066987978 /nfs/dbraw/zinc/98/79/78/1066987978.db2.gz QHYIOVGPFWDZIN-SFHLNBCPSA-N 1 0 451.677 4.522 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001449176935 1066988091 /nfs/dbraw/zinc/98/80/91/1066988091.db2.gz QHYIOVGPFWDZIN-SBHAEUEKSA-N 1 0 451.677 4.522 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001545730939 1066989203 /nfs/dbraw/zinc/98/92/03/1066989203.db2.gz IAUBKQNVCRCDLI-QLBJFCOMSA-N 1 0 467.702 4.929 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546012139 1066990053 /nfs/dbraw/zinc/99/00/53/1066990053.db2.gz CFSIEFCVRZLELH-FYYLOGMGSA-N 1 0 473.637 4.655 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545731897 1066992067 /nfs/dbraw/zinc/99/20/67/1066992067.db2.gz UUSWAGQKGGTGGE-DGWZTRNLSA-N 1 0 480.745 4.966 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001546012412 1066993021 /nfs/dbraw/zinc/99/30/21/1066993021.db2.gz ICTSALSXVHKQDK-ZIFCJYIRSA-N 1 0 482.456 4.652 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1)c1ccccc1 ZINC001545732138 1066993312 /nfs/dbraw/zinc/99/33/12/1066993312.db2.gz YFJUPOYXSCBCFB-MDNUFGMLSA-N 1 0 496.700 4.654 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC001449261857 1066993522 /nfs/dbraw/zinc/99/35/22/1066993522.db2.gz CIAMTZVMLDWMII-IBGZPJMESA-N 1 0 456.801 4.576 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC001449261861 1066993728 /nfs/dbraw/zinc/99/37/28/1066993728.db2.gz CIAMTZVMLDWMII-LJQANCHMSA-N 1 0 456.801 4.576 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545733445 1066994820 /nfs/dbraw/zinc/99/48/20/1066994820.db2.gz BNJLMDOQJBWCSC-UWUFEASWSA-N 1 0 493.618 4.692 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCSC1)[NH+]1CCCC1 ZINC001546012771 1066995104 /nfs/dbraw/zinc/99/51/04/1066995104.db2.gz OBZMCAOWZUIGKI-MSOLQXFVSA-N 1 0 484.497 4.980 20 0 JJADRO CCC(CC)(C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC001449291235 1066995714 /nfs/dbraw/zinc/99/57/14/1066995714.db2.gz VGPJBZUEMRTAPY-RUZDIDTESA-N 1 0 454.058 4.817 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545734359 1066997170 /nfs/dbraw/zinc/99/71/70/1066997170.db2.gz REAGFMQIQFBFQS-HXUWFJFHSA-N 1 0 465.564 4.508 20 0 JJADRO CC[C@@H](c1nnc(N2CC=C(COC)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001545734619 1066998053 /nfs/dbraw/zinc/99/80/53/1066998053.db2.gz WKJHSVAOKXPXBB-JQYIIUTOSA-N 1 0 465.686 4.971 20 0 JJADRO CC[C@H](c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545734547 1066998145 /nfs/dbraw/zinc/99/81/45/1066998145.db2.gz VHQYDXMOIJIWLY-OFVILXPXSA-N 1 0 495.634 4.938 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735898 1066999260 /nfs/dbraw/zinc/99/92/60/1066999260.db2.gz IDNGLLVTVGFHSO-YBGCIBKWSA-N 1 0 483.701 4.569 20 0 JJADRO C[C@@H](C(=O)N1CCN(C)c2cc(Br)ccc21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001449329795 1067000418 /nfs/dbraw/zinc/00/04/18/1067000418.db2.gz RBCJEHZBQRZSTC-SFHVURJKSA-N 1 0 456.428 4.575 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001545736613 1067000530 /nfs/dbraw/zinc/00/05/30/1067000530.db2.gz SPDPHXQVHUGIPF-REWPJTCUSA-N 1 0 492.634 4.625 20 0 JJADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 ZINC001449333178 1067000685 /nfs/dbraw/zinc/00/06/85/1067000685.db2.gz OQOQICVJZXCFPG-XMMPIXPASA-N 1 0 456.546 4.753 20 0 JJADRO CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC001449355789 1067002713 /nfs/dbraw/zinc/00/27/13/1067002713.db2.gz LQAHMYILFLSZIC-WIOPSUGQSA-N 1 0 453.652 4.875 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545738560 1067003028 /nfs/dbraw/zinc/00/30/28/1067003028.db2.gz KAXZUDIKDPCCMO-XMMPIXPASA-N 1 0 482.717 4.539 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740634 1067005703 /nfs/dbraw/zinc/00/57/03/1067005703.db2.gz AZKUDMWSLANADR-JWQCQUIFSA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740636 1067005758 /nfs/dbraw/zinc/00/57/58/1067005758.db2.gz AZKUDMWSLANADR-RPBOFIJWSA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@H](c1nnc(N2CCC(COC)CC2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545740699 1067005919 /nfs/dbraw/zinc/00/59/19/1067005919.db2.gz CANQQTLMCFQWSS-DEOSSOPVSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1CCc1nccs1)c1ccccc1 ZINC001545741203 1067007295 /nfs/dbraw/zinc/00/72/95/1067007295.db2.gz LPUCUXLSEAJLAK-JOCHJYFZSA-N 1 0 452.672 4.830 20 0 JJADRO CC[C@H](c1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001545741385 1067007924 /nfs/dbraw/zinc/00/79/24/1067007924.db2.gz PGEJPIVYENCTKW-RXVVDRJESA-N 1 0 489.590 4.827 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1CC1(O)CCCCC1)c1ccccc1 ZINC001545741625 1067008050 /nfs/dbraw/zinc/00/80/50/1067008050.db2.gz UETFNQQLDJJVJR-DEOSSOPVSA-N 1 0 453.675 4.826 20 0 JJADRO CN(C)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001458230947 1067008579 /nfs/dbraw/zinc/00/85/79/1067008579.db2.gz OVWCKXRHZJZQPP-OFAXGOBFSA-N 1 0 456.428 4.546 20 0 JJADRO CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001546014123 1067008941 /nfs/dbraw/zinc/00/89/41/1067008941.db2.gz BPDSBBFISLHIDM-IFMALSPDSA-N 1 0 478.106 4.959 20 0 JJADRO CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001458234334 1067009118 /nfs/dbraw/zinc/00/91/18/1067009118.db2.gz VJYRJBHPNQCYRP-XQUALCHDSA-N 1 0 457.659 4.733 20 0 JJADRO COc1ccc(CCCCC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001458242602 1067010528 /nfs/dbraw/zinc/01/05/28/1067010528.db2.gz GMHVHJXCWRVQBH-DSNGMDLFSA-N 1 0 450.623 4.834 20 0 JJADRO CC[C@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001545744048 1067011115 /nfs/dbraw/zinc/01/11/15/1067011115.db2.gz VPRKXMMJVOITRA-NRFANRHFSA-N 1 0 479.591 4.588 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC001545745463 1067012082 /nfs/dbraw/zinc/01/20/82/1067012082.db2.gz BKCBTSGYIDOITI-WWNPGLIZSA-N 1 0 481.666 4.574 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545745658 1067012483 /nfs/dbraw/zinc/01/24/83/1067012483.db2.gz DUYJHVWHJQZXHI-DGWZTRNLSA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@H](Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001546015125 1067013302 /nfs/dbraw/zinc/01/33/02/1067013302.db2.gz UUWGDQHHCUFDNY-RBUKOAKNSA-N 1 0 481.563 4.519 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545746453 1067014292 /nfs/dbraw/zinc/01/42/92/1067014292.db2.gz PGEODZXAWMBXKA-VXKWHMMOSA-N 1 0 493.618 4.834 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545746452 1067014372 /nfs/dbraw/zinc/01/43/72/1067014372.db2.gz PGEODZXAWMBXKA-FGZHOGPDSA-N 1 0 493.618 4.834 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545746910 1067016262 /nfs/dbraw/zinc/01/62/62/1067016262.db2.gz XAERNCJXOSUNPX-KELBGUDLSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545748486 1067016923 /nfs/dbraw/zinc/01/69/23/1067016923.db2.gz BDQCBYBJPITTPC-ISJGIBHGSA-N 1 0 494.728 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545748389 1067017101 /nfs/dbraw/zinc/01/71/01/1067017101.db2.gz AASZJDXVTQWNAR-IZZNHLLZSA-N 1 0 494.728 4.683 20 0 JJADRO C[C@@H]1CN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001449678850 1067019994 /nfs/dbraw/zinc/01/99/94/1067019994.db2.gz KJUXEQSRAWZEDN-SFHVURJKSA-N 1 0 457.018 4.854 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545749304 1067019871 /nfs/dbraw/zinc/01/98/71/1067019871.db2.gz MQUGZHPNECCMDQ-GOTSBHOMSA-N 1 0 498.716 4.901 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545749499 1067020522 /nfs/dbraw/zinc/02/05/22/1067020522.db2.gz OUUHCQWKQYXXCP-DHIUTWEWSA-N 1 0 482.717 4.539 20 0 JJADRO COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001458284996 1067020787 /nfs/dbraw/zinc/02/07/87/1067020787.db2.gz VBVBSIBWQCTBGW-URXFXBBRSA-N 1 0 452.595 4.980 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](COC)C2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545749820 1067020924 /nfs/dbraw/zinc/02/09/24/1067020924.db2.gz UMFASTBTUGXRGB-MZYLBHOOSA-N 1 0 451.615 4.579 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001545749818 1067021180 /nfs/dbraw/zinc/02/11/80/1067021180.db2.gz UKSNDTCQSYCNFJ-ZKMPZPQNSA-N 1 0 494.728 4.683 20 0 JJADRO CC[C@H](Cn1c(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546016373 1067022795 /nfs/dbraw/zinc/02/27/95/1067022795.db2.gz CJDUIQJNTTUWCB-RTBURBONSA-N 1 0 474.719 4.782 20 0 JJADRO CC[C@@H](c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545751399 1067023851 /nfs/dbraw/zinc/02/38/51/1067023851.db2.gz FLTWHRSMSAXQNQ-QLBJFCOMSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545751400 1067023925 /nfs/dbraw/zinc/02/39/25/1067023925.db2.gz FLTWHRSMSAXQNQ-ZKMPZPQNSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001545751507 1067024277 /nfs/dbraw/zinc/02/42/77/1067024277.db2.gz GXIWFWCYJXFALU-GIFXNVAJSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001545751509 1067024338 /nfs/dbraw/zinc/02/43/38/1067024338.db2.gz GXIWFWCYJXFALU-SONWIMMPSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCNC(=O)c1cccs1)c1ccccc1 ZINC001545751653 1067024442 /nfs/dbraw/zinc/02/44/42/1067024442.db2.gz JKMKQJBYGWATJP-JOCHJYFZSA-N 1 0 494.709 4.622 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1nc(C)c(C)s1)c1ccccc1 ZINC001545752055 1067026572 /nfs/dbraw/zinc/02/65/72/1067026572.db2.gz PZWPXFLLDBHJFX-JOCHJYFZSA-N 1 0 452.672 4.862 20 0 JJADRO CC[C@H](Cn1c(N[C@@H](C)[C@H](OC)c2ccccc2Cl)nnc1-c1cccn1C)[NH+]1CCCC1 ZINC001546017285 1067027099 /nfs/dbraw/zinc/02/70/99/1067027099.db2.gz RQCYDYHJUMCZEA-YYDVJCTNSA-N 1 0 471.049 5.000 20 0 JJADRO CC[C@H](Cn1c(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546017365 1067029753 /nfs/dbraw/zinc/02/97/53/1067029753.db2.gz SZIXOODCEKLTHY-OAQYLSRUSA-N 1 0 487.762 4.526 20 0 JJADRO CC[C@H](Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017493 1067030282 /nfs/dbraw/zinc/03/02/82/1067030282.db2.gz VRGWNPILWRTZIB-LXFBAYGMSA-N 1 0 483.701 4.823 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001449828923 1067030659 /nfs/dbraw/zinc/03/06/59/1067030659.db2.gz ZOVZMEUILWGSBZ-UHFFFAOYSA-N 1 0 451.442 4.987 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001545754449 1067030946 /nfs/dbraw/zinc/03/09/46/1067030946.db2.gz NCBGIKWHPPNUTJ-UPVQGACJSA-N 1 0 496.700 4.609 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545754648 1067031234 /nfs/dbraw/zinc/03/12/34/1067031234.db2.gz RRLIUFNKGUYWNA-VWNXMTODSA-N 1 0 498.716 4.996 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)CC)c1ccccc1 ZINC001545754519 1067031259 /nfs/dbraw/zinc/03/12/59/1067031259.db2.gz OZMSVXFYJUKSBW-LADGPHEKSA-N 1 0 453.675 4.805 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756167 1067032766 /nfs/dbraw/zinc/03/27/66/1067032766.db2.gz BVLARBUGOKJNGS-FYYLOGMGSA-N 1 0 484.689 4.511 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756170 1067033105 /nfs/dbraw/zinc/03/31/05/1067033105.db2.gz BVLARBUGOKJNGS-JTHBVZDNSA-N 1 0 484.689 4.511 20 0 JJADRO CC[C@H](Cn1c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546017704 1067033147 /nfs/dbraw/zinc/03/31/47/1067033147.db2.gz ZXHVZVOBDYDSSR-LEWJYISDSA-N 1 0 457.638 4.885 20 0 JJADRO CC(C)[C@@H](C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)[NH+]1CCCCC1 ZINC001449898939 1067035085 /nfs/dbraw/zinc/03/50/85/1067035085.db2.gz KKYNFDNZPDLIRY-JRFVFWCSSA-N 1 0 475.649 4.793 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1CCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545757211 1067035564 /nfs/dbraw/zinc/03/55/64/1067035564.db2.gz VNPWIFKSPWCTSJ-LADGPHEKSA-N 1 0 484.689 4.606 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)C3(c4cc(F)cc(F)c4)CCCC3)CC2)cc1 ZINC001449904008 1067036109 /nfs/dbraw/zinc/03/61/09/1067036109.db2.gz MMTDYYOHSKQGCB-UHFFFAOYSA-N 1 0 455.549 4.516 20 0 JJADRO O=c1c(Cl)c(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001458344315 1067036645 /nfs/dbraw/zinc/03/66/45/1067036645.db2.gz QUMNSOSUKJJKSI-INIZCTEOSA-N 1 0 455.912 4.509 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCc1sc(C)nc1C)c1ccccc1 ZINC001545758258 1067036968 /nfs/dbraw/zinc/03/69/68/1067036968.db2.gz CVXCAZUPWFWULN-HSZRJFAPSA-N 1 0 466.699 4.914 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545758350 1067037440 /nfs/dbraw/zinc/03/74/40/1067037440.db2.gz FDQRHYSJEJUSLE-NFBKMPQASA-N 1 0 475.628 4.802 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545758358 1067037482 /nfs/dbraw/zinc/03/74/82/1067037482.db2.gz FJKAMDRSRJYIJP-DEOSSOPVSA-N 1 0 498.716 4.855 20 0 JJADRO FC(F)(F)c1ccc(I)c(NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC001458346991 1067037925 /nfs/dbraw/zinc/03/79/25/1067037925.db2.gz NCWLIVNBTZDGQI-CYBMUJFWSA-N 1 0 453.290 4.914 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001545758537 1067038504 /nfs/dbraw/zinc/03/85/04/1067038504.db2.gz IVUJVUVIQHXWAD-VWLOTQADSA-N 1 0 489.712 4.888 20 0 JJADRO CC[NH+](CC)CCN(C(=O)C[C@@H]1C(=O)Nc2c1cccc2F)c1cccc(C(F)(F)F)c1 ZINC001458349185 1067038720 /nfs/dbraw/zinc/03/87/20/1067038720.db2.gz RYMFRJFJSUDGIN-SFHVURJKSA-N 1 0 451.464 4.645 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545758681 1067039899 /nfs/dbraw/zinc/03/98/99/1067039899.db2.gz LKCIPWOZNJXIFV-NQIIRXRSSA-N 1 0 472.559 4.813 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCC1(COC)CCCC1)c1ccccc1 ZINC001545759251 1067041229 /nfs/dbraw/zinc/04/12/29/1067041229.db2.gz VDOUSNLLYCNTHG-LADGPHEKSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCC1(COC)CCCC1)c1ccccc1 ZINC001545759252 1067041606 /nfs/dbraw/zinc/04/16/06/1067041606.db2.gz VDOUSNLLYCNTHG-UPVQGACJSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545759341 1067042192 /nfs/dbraw/zinc/04/21/92/1067042192.db2.gz WNKVVJIIGDOKEH-GGAORHGYSA-N 1 0 492.634 4.769 20 0 JJADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc(Br)ccc1Cl ZINC001458364143 1067042474 /nfs/dbraw/zinc/04/24/74/1067042474.db2.gz HSYFFPBJUWLTGP-UHFFFAOYSA-N 1 0 451.792 4.550 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)F)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccccc1 ZINC001545759497 1067042411 /nfs/dbraw/zinc/04/24/11/1067042411.db2.gz YSQFSNSPFCFBLG-CIXCFARBSA-N 1 0 488.671 4.718 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546099784 1067042879 /nfs/dbraw/zinc/04/28/79/1067042879.db2.gz MOPIVQJFUKTYSQ-MUUNZHRXSA-N 1 0 483.701 4.892 20 0 JJADRO CCOC(=O)c1cnc(CC)nc1NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001458367985 1067043332 /nfs/dbraw/zinc/04/33/32/1067043332.db2.gz DEPMZICCRPSDAC-KRWDZBQOSA-N 1 0 458.912 4.907 20 0 JJADRO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001450046624 1067044338 /nfs/dbraw/zinc/04/43/38/1067044338.db2.gz JPKSVVYYSBCQIV-RTWAWAEBSA-N 1 0 459.403 4.891 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Oc1cc(Cl)cnc1Br ZINC001458371247 1067044642 /nfs/dbraw/zinc/04/46/42/1067044642.db2.gz WHAPACGRHAYASX-CQSZACIVSA-N 1 0 453.764 4.970 20 0 JJADRO C[C@H]1CN(C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC001450059751 1067045991 /nfs/dbraw/zinc/04/59/91/1067045991.db2.gz DLFIOFMZICEZMT-WZONZLPQSA-N 1 0 457.412 4.902 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](C(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545761970 1067045996 /nfs/dbraw/zinc/04/59/96/1067045996.db2.gz ZOGMZESXCMVNJW-DNQXCXABSA-N 1 0 453.675 4.946 20 0 JJADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC001450068977 1067046900 /nfs/dbraw/zinc/04/69/00/1067046900.db2.gz YJUDGZPLICCHML-JOCHJYFZSA-N 1 0 454.492 4.521 20 0 JJADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001458385628 1067047434 /nfs/dbraw/zinc/04/74/34/1067047434.db2.gz KYYMOCWQDNBRCX-UHFFFAOYSA-N 1 0 452.599 4.964 20 0 JJADRO Cc1nc(C2CCC2)sc1CC(=O)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC001458387297 1067047855 /nfs/dbraw/zinc/04/78/55/1067047855.db2.gz RQESESOCQPKHBX-RTBURBONSA-N 1 0 455.668 4.587 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001450113811 1067049560 /nfs/dbraw/zinc/04/95/60/1067049560.db2.gz JMPOEXUHRNUUOP-JOCHJYFZSA-N 1 0 453.030 4.951 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)Cc1cncn1Cc1ccccc1 ZINC001450109781 1067049714 /nfs/dbraw/zinc/04/97/14/1067049714.db2.gz FSANTWKBFZPBIG-MUUNZHRXSA-N 1 0 458.650 4.666 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)[NH+](C)C)cc1 ZINC001450126091 1067050823 /nfs/dbraw/zinc/05/08/23/1067050823.db2.gz IXFVJEGHKNGWQC-TYBLODHISA-N 1 0 461.672 4.697 20 0 JJADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)C[C@@H]1C ZINC001458396268 1067051009 /nfs/dbraw/zinc/05/10/09/1067051009.db2.gz NVHWQMCJHXLPQV-IRXDYDNUSA-N 1 0 452.492 4.784 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)[NH+](C)C)cc1 ZINC001450132530 1067051807 /nfs/dbraw/zinc/05/18/07/1067051807.db2.gz PXXLLAJWVAOUPH-HSZRJFAPSA-N 1 0 452.599 4.645 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2OC(C)C)[NH+](C)C)cc1 ZINC001450141079 1067053300 /nfs/dbraw/zinc/05/33/00/1067053300.db2.gz ZIIKDAPZPGQYBR-LJQANCHMSA-N 1 0 451.430 4.991 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546100343 1067054801 /nfs/dbraw/zinc/05/48/01/1067054801.db2.gz XFTGWDJLGKQFFY-LEAFIULHSA-N 1 0 467.702 4.827 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@H+](C)C(C)C)CCO1 ZINC001546100396 1067055252 /nfs/dbraw/zinc/05/52/52/1067055252.db2.gz YLHAYDRARLIRCC-AREMUKBSSA-N 1 0 457.663 4.634 20 0 JJADRO C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001450198906 1067059203 /nfs/dbraw/zinc/05/92/03/1067059203.db2.gz NZNBCFPGGZONJW-CEMLEFRQSA-N 1 0 471.667 4.773 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001450230713 1067062184 /nfs/dbraw/zinc/06/21/84/1067062184.db2.gz XOCSCFUKTCNCTG-QHCPKHFHSA-N 1 0 455.643 4.681 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448987 1067063747 /nfs/dbraw/zinc/06/37/47/1067063747.db2.gz QVPFNPVUFCDQPL-FOIQADDNSA-N 1 0 452.357 4.739 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)OC ZINC001545774457 1067066895 /nfs/dbraw/zinc/06/68/95/1067066895.db2.gz QDBJMEUTKPVPPI-GOSISDBHSA-N 1 0 494.453 4.726 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545774572 1067067871 /nfs/dbraw/zinc/06/78/71/1067067871.db2.gz UDWYWAJALNGALR-UHFFFAOYSA-N 1 0 488.677 4.708 20 0 JJADRO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)SC ZINC001545777678 1067071927 /nfs/dbraw/zinc/07/19/27/1067071927.db2.gz JTHXRYXXIPRLFY-NRFANRHFSA-N 1 0 466.699 4.916 20 0 JJADRO CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)SC ZINC001545779045 1067073775 /nfs/dbraw/zinc/07/37/75/1067073775.db2.gz ARFRPBUEDNLSCF-OYRHEFFESA-N 1 0 486.730 4.588 20 0 JJADRO CCOc1ccc([C@H](O)C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3cccc(C)c3)CC2)cc1 ZINC001450415978 1067078958 /nfs/dbraw/zinc/07/89/58/1067078958.db2.gz RPPDLMBIAGZXKJ-SVBPBHIXSA-N 1 0 450.623 4.720 20 0 JJADRO CCC(O)(CC)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001546022762 1067080375 /nfs/dbraw/zinc/08/03/75/1067080375.db2.gz MJVNTWWLZPRQDZ-UHFFFAOYSA-N 1 0 464.658 4.663 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001546101705 1067081023 /nfs/dbraw/zinc/08/10/23/1067081023.db2.gz JJJSXLCDOWVZTL-NBGIEHNGSA-N 1 0 476.065 4.780 20 0 JJADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C ZINC001458534588 1067083586 /nfs/dbraw/zinc/08/35/86/1067083586.db2.gz LQYREYWSOGUGKF-OIRDZHBESA-N 1 0 457.659 4.733 20 0 JJADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CCCc2ccc(Cl)cc2)CC1 ZINC001458538883 1067084417 /nfs/dbraw/zinc/08/44/17/1067084417.db2.gz WLLZOZHFUMNMIP-UHFFFAOYSA-N 1 0 450.808 4.816 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)CCO1 ZINC001546102014 1067086622 /nfs/dbraw/zinc/08/66/22/1067086622.db2.gz PIJQLFRGUVAAHR-QHCPKHFHSA-N 1 0 482.456 4.655 20 0 JJADRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541399 1067088696 /nfs/dbraw/zinc/08/86/96/1067088696.db2.gz OBUJTSLYGDVGHT-XXBNENTESA-N 1 0 455.549 4.538 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568335 1067088891 /nfs/dbraw/zinc/08/88/91/1067088891.db2.gz QHKCFHSAAQZKEN-RLWLMLJZSA-N 1 0 457.590 4.734 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001546024327 1067091976 /nfs/dbraw/zinc/09/19/76/1067091976.db2.gz AQUKWYKHNKRVDK-UHFFFAOYSA-N 1 0 498.897 4.833 20 0 JJADRO CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545795088 1067094474 /nfs/dbraw/zinc/09/44/74/1067094474.db2.gz WZSKMWJWSFODGB-UHFFFAOYSA-N 1 0 487.664 4.902 20 0 JJADRO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545796417 1067096290 /nfs/dbraw/zinc/09/62/90/1067096290.db2.gz FMEQPPCALPSEDA-HXUWFJFHSA-N 1 0 492.709 4.524 20 0 JJADRO CC(C)(O)c1cnc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)s1 ZINC001450640833 1067098066 /nfs/dbraw/zinc/09/80/66/1067098066.db2.gz IIQKKSDGBJHIFV-VQTJNVASSA-N 1 0 456.011 4.878 20 0 JJADRO CCC(CC)[C@@H](CCn1c(-c2ccccn2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545798014 1067098218 /nfs/dbraw/zinc/09/82/18/1067098218.db2.gz DPWVENUIWHPBPR-LQOCYXTFSA-N 1 0 468.690 4.882 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626505 1067098400 /nfs/dbraw/zinc/09/84/00/1067098400.db2.gz HGNAAGYZKYEKQK-UWJYYQICSA-N 1 0 458.002 4.866 20 0 JJADRO Cc1ccc(NC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)cc1NC(=O)CC[NH+](C)C ZINC001458655109 1067101248 /nfs/dbraw/zinc/10/12/48/1067101248.db2.gz RXXSCXYDIJKTFW-CVDCTZTESA-N 1 0 458.400 4.564 20 0 JJADRO Cc1c(C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)oc2c1C(=O)CCC2 ZINC001450696082 1067104394 /nfs/dbraw/zinc/10/43/94/1067104394.db2.gz BBEGTGWDTBOUPQ-UHFFFAOYSA-N 1 0 459.384 4.606 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC001545803635 1067114034 /nfs/dbraw/zinc/11/40/34/1067114034.db2.gz RCSHMKNWHNYLTB-RCZVLFRGSA-N 1 0 471.665 4.747 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(C)(C)C)[NH+](C)C ZINC001545804947 1067117518 /nfs/dbraw/zinc/11/75/18/1067117518.db2.gz FIKHNXWYPITUJQ-GOSISDBHSA-N 1 0 453.473 4.884 20 0 JJADRO C=C1[NH+]=C(SCc2cc3n(n2)CCC3)N[C@@H](c2ccc(SC)cc2)C1C(=O)OC(C)C ZINC001458723939 1067117428 /nfs/dbraw/zinc/11/74/28/1067117428.db2.gz AWCQTXBYOSCZAY-NRFANRHFSA-N 1 0 456.637 4.711 20 0 JJADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001450771058 1067118354 /nfs/dbraw/zinc/11/83/54/1067118354.db2.gz QWECXTQDZVGHPS-AWEZNQCLSA-N 1 0 456.940 4.883 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(C1)CCOCC2)[NH+](C)C ZINC001545805208 1067118327 /nfs/dbraw/zinc/11/83/27/1067118327.db2.gz JHLWZXLREVTQQN-NZQKXSOJSA-N 1 0 487.664 4.931 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1)[NH+](C)C ZINC001545805384 1067119650 /nfs/dbraw/zinc/11/96/50/1067119650.db2.gz MIFPZIIHCQXAGW-WIOPSUGQSA-N 1 0 457.688 4.654 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(C)C)CC1)[NH+](C)C ZINC001545805422 1067119791 /nfs/dbraw/zinc/11/97/91/1067119791.db2.gz MWHIPQYPMXNFHM-XMMPIXPASA-N 1 0 489.730 4.587 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCOC[C@@H](C2CCC2)C1)[NH+](C)C ZINC001545805550 1067120242 /nfs/dbraw/zinc/12/02/42/1067120242.db2.gz OXAWZVNXKYFIKN-ZCYQVOJMSA-N 1 0 469.674 4.573 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCOC[C@H]1C)[NH+](C)C ZINC001545805532 1067120260 /nfs/dbraw/zinc/12/02/60/1067120260.db2.gz OUTSCEAJCBXAIT-NQIIRXRSSA-N 1 0 459.704 4.867 20 0 JJADRO CC(C)Cc1ccc([C@H](CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)[NH+](C)C)cc1 ZINC001450786113 1067121023 /nfs/dbraw/zinc/12/10/23/1067121023.db2.gz LZEDHANLMHJOEJ-DEOSSOPVSA-N 1 0 453.627 4.943 20 0 JJADRO CC(C)Cc1ccc([C@H](CNC(=O)c2nc(NCc3ccco3)ncc2Cl)[NH+](C)C)cc1 ZINC001450786442 1067121214 /nfs/dbraw/zinc/12/12/14/1067121214.db2.gz MYQXBIIXJVKUND-NRFANRHFSA-N 1 0 455.990 4.566 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC001545805847 1067121564 /nfs/dbraw/zinc/12/15/64/1067121564.db2.gz TUAWAVADVZTCCV-PKTZIBPZSA-N 1 0 489.108 4.706 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC[C@@H]1c1ccc(O)cc1)[NH+]1CCOCC1 ZINC001545805767 1067121619 /nfs/dbraw/zinc/12/16/19/1067121619.db2.gz RUTXHKBMQZNNDK-RPWUZVMVSA-N 1 0 455.647 4.586 20 0 JJADRO Cc1ccccc1-n1ccnc1SCC(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450793531 1067121854 /nfs/dbraw/zinc/12/18/54/1067121854.db2.gz VYVJMJOSVIVXLP-XMMPIXPASA-N 1 0 450.652 4.890 20 0 JJADRO C[C@H]1[C@@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001450796599 1067122513 /nfs/dbraw/zinc/12/25/13/1067122513.db2.gz OYKZQCYYPJEJMR-SBUREZEXSA-N 1 0 452.549 4.976 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](COC)C1)[NH+](C)C ZINC001545806152 1067122906 /nfs/dbraw/zinc/12/29/06/1067122906.db2.gz ZWIRFBXENPJFFC-XMSQKQJNSA-N 1 0 492.506 4.937 20 0 JJADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450802733 1067123289 /nfs/dbraw/zinc/12/32/89/1067123289.db2.gz NOASOBYTDNNFKY-FQEVSTJZSA-N 1 0 457.416 4.636 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC001545807185 1067124339 /nfs/dbraw/zinc/12/43/39/1067124339.db2.gz CIHCJVPOHRPKTK-DRLORSAXSA-N 1 0 497.728 4.993 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](COC)C1)[NH+](C)C ZINC001545807317 1067125021 /nfs/dbraw/zinc/12/50/21/1067125021.db2.gz GDKARAFVVATRGB-HRAATJIYSA-N 1 0 452.018 4.577 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(C)C)C1)[NH+](C)C ZINC001545807349 1067125596 /nfs/dbraw/zinc/12/55/96/1067125596.db2.gz GUKWRMWZIRILDU-VXKWHMMOSA-N 1 0 492.506 4.935 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)[NH+](C)C ZINC001545807398 1067125604 /nfs/dbraw/zinc/12/56/04/1067125604.db2.gz HKNJERDVPNCKQU-LXFBAYGMSA-N 1 0 496.700 4.640 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC001545807613 1067127063 /nfs/dbraw/zinc/12/70/63/1067127063.db2.gz LHJRVCUWKMNHQJ-KNKQGSTJSA-N 1 0 457.663 4.811 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C)CC1)[NH+](C)C ZINC001545807747 1067128192 /nfs/dbraw/zinc/12/81/92/1067128192.db2.gz NRANZXNYDFKWBE-SIKLNZKXSA-N 1 0 455.647 4.709 20 0 JJADRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)O2 ZINC001450846970 1067131776 /nfs/dbraw/zinc/13/17/76/1067131776.db2.gz KQYWCKDPLOZBSC-LXFBAYGMSA-N 1 0 450.623 4.820 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001545808160 1067132372 /nfs/dbraw/zinc/13/23/72/1067132372.db2.gz TZTRLEYOUDLYRL-FGZHOGPDSA-N 1 0 478.106 4.677 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545808255 1067133044 /nfs/dbraw/zinc/13/30/44/1067133044.db2.gz VNXFCOLKYPTMTN-HBGVWJBISA-N 1 0 467.580 4.955 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545808256 1067133055 /nfs/dbraw/zinc/13/30/55/1067133055.db2.gz VNXFCOLKYPTMTN-MAODMQOUSA-N 1 0 467.580 4.955 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545808477 1067135073 /nfs/dbraw/zinc/13/50/73/1067135073.db2.gz ZSUOFLYKBHDNIH-DEOSSOPVSA-N 1 0 497.684 4.646 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC001545809545 1067136293 /nfs/dbraw/zinc/13/62/93/1067136293.db2.gz FXRJDFYMCIVWLT-HXUWFJFHSA-N 1 0 467.992 4.581 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCc2cccc(F)c2[C@H]1C)[NH+](C)C ZINC001545809865 1067137035 /nfs/dbraw/zinc/13/70/35/1067137035.db2.gz LSOWXUSTQDRNQJ-WZONZLPQSA-N 1 0 450.606 4.969 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545810124 1067137578 /nfs/dbraw/zinc/13/75/78/1067137578.db2.gz PYYDHBXLZWZNGB-QPPBQGQZSA-N 1 0 452.622 4.783 20 0 JJADRO CC[N@@H+]1CCCN(C(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)[C@H](C)C1 ZINC001450973965 1067138021 /nfs/dbraw/zinc/13/80/21/1067138021.db2.gz GIOPHUJTCVSLEN-MRXNPFEDSA-N 1 0 451.430 4.954 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001545810472 1067138063 /nfs/dbraw/zinc/13/80/63/1067138063.db2.gz XCUQEHZGQOCYCE-GBXCKJPGSA-N 1 0 483.730 4.595 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC[C@@H](C)C1)[NH+](C)C ZINC001545811974 1067140027 /nfs/dbraw/zinc/14/00/27/1067140027.db2.gz GJHLQMHFKGHIHO-GCJKJVERSA-N 1 0 465.646 4.587 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001451029418 1067140693 /nfs/dbraw/zinc/14/06/93/1067140693.db2.gz HTBDYCVPRZXXLD-RBZQAINGSA-N 1 0 455.643 4.583 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccccc2C)C1)[NH+](C)C ZINC001545812389 1067140631 /nfs/dbraw/zinc/14/06/31/1067140631.db2.gz NYJKVXSDGZVBIK-CLJLJLNGSA-N 1 0 476.669 4.901 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1)[NH+](C)C ZINC001545812398 1067140679 /nfs/dbraw/zinc/14/06/79/1067140679.db2.gz OEJHRYJRCBBICZ-FGZHOGPDSA-N 1 0 490.490 4.862 20 0 JJADRO CC[C@@H](C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](CC)C1 ZINC001451028379 1067140811 /nfs/dbraw/zinc/14/08/11/1067140811.db2.gz FVYBKKLXZZKCKX-KWXIBIRDSA-N 1 0 455.687 4.559 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001545812478 1067141137 /nfs/dbraw/zinc/14/11/37/1067141137.db2.gz PFNLSNUAOJEAQG-DNQXCXABSA-N 1 0 457.638 4.611 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC001545812487 1067141245 /nfs/dbraw/zinc/14/12/45/1067141245.db2.gz PIYLRNAFHMFJOC-AVRDEDQJSA-N 1 0 479.673 4.833 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001545812480 1067141316 /nfs/dbraw/zinc/14/13/16/1067141316.db2.gz PFNLSNUAOJEAQG-ZEQRLZLVSA-N 1 0 457.638 4.611 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545812873 1067141834 /nfs/dbraw/zinc/14/18/34/1067141834.db2.gz WTCWNECVBUWYKW-DENIHFKCSA-N 1 0 476.710 4.605 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)[NH+](C)C ZINC001545813053 1067141948 /nfs/dbraw/zinc/14/19/48/1067141948.db2.gz ZFCSAABRYYJCBU-MHECFPHRSA-N 1 0 474.644 4.683 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001546028119 1067141954 /nfs/dbraw/zinc/14/19/54/1067141954.db2.gz XBFTXRBLWLNPTF-JTHBVZDNSA-N 1 0 469.674 4.594 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)[NH+](C)C ZINC001545814848 1067142997 /nfs/dbraw/zinc/14/29/97/1067142997.db2.gz IDBSQQPNDNHSPF-VJBMBRPKSA-N 1 0 494.055 4.519 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001545814624 1067143017 /nfs/dbraw/zinc/14/30/17/1067143017.db2.gz DRNBUCCVLWGRIA-DEOSSOPVSA-N 1 0 472.722 4.531 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1)[NH+](C)C ZINC001545814645 1067143066 /nfs/dbraw/zinc/14/30/66/1067143066.db2.gz FAHFVKJZEKKZQG-CUYJMHBOSA-N 1 0 469.674 4.541 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC001545814902 1067143441 /nfs/dbraw/zinc/14/34/41/1067143441.db2.gz IUCRFCIXESYBCH-VABKMULXSA-N 1 0 488.721 4.748 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N(C)Cc1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC001545815048 1067144111 /nfs/dbraw/zinc/14/41/11/1067144111.db2.gz LNPNUBFELKIOMM-HSZRJFAPSA-N 1 0 461.601 4.597 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2CC1)[NH+](C)C ZINC001545815370 1067144708 /nfs/dbraw/zinc/14/47/08/1067144708.db2.gz PTJWXOHRFRUCAU-BJKOFHAPSA-N 1 0 499.700 4.509 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(c2cnn(CC)c2)CC1)[NH+](C)C ZINC001545815865 1067145303 /nfs/dbraw/zinc/14/53/03/1067145303.db2.gz WSSKZGLSSYMMFZ-XMMPIXPASA-N 1 0 455.695 4.903 20 0 JJADRO COc1cc(C[NH+](C)C)ccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC001451085294 1067145365 /nfs/dbraw/zinc/14/53/65/1067145365.db2.gz CNOGMWLRNHBLBQ-UHFFFAOYSA-N 1 0 452.938 4.659 20 0 JJADRO COc1ccc(CCNc2nnc(S[C@@H]3CC[N@H+](Cc4ccccc4)C3)s2)cc1OC ZINC001458784689 1067145991 /nfs/dbraw/zinc/14/59/91/1067145991.db2.gz VFGCPCVHKBXDJZ-LJQANCHMSA-N 1 0 456.637 4.577 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCc2cc(F)cc(F)c2C1)[NH+](C)C ZINC001545817081 1067146631 /nfs/dbraw/zinc/14/66/31/1067146631.db2.gz DICBBSHHZUZBSP-HSZRJFAPSA-N 1 0 488.652 4.841 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001451106519 1067146817 /nfs/dbraw/zinc/14/68/17/1067146817.db2.gz IBGMAERETPNGEM-VYKTZEHYSA-N 1 0 481.612 4.557 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](SC)C1)[NH+](C)C ZINC001545817203 1067147310 /nfs/dbraw/zinc/14/73/10/1067147310.db2.gz GJMVBDUJLWESSP-LEWJYISDSA-N 1 0 464.749 4.722 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccco1)[NH+]1CCOCC1 ZINC001545817223 1067147376 /nfs/dbraw/zinc/14/73/76/1067147376.db2.gz GQYPORQPPFJTGL-FCHUYYIVSA-N 1 0 457.663 4.938 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)[NH+](C)C ZINC001545817181 1067147395 /nfs/dbraw/zinc/14/73/95/1067147395.db2.gz FXPQAEWBHBUWTE-GOSISDBHSA-N 1 0 473.691 4.580 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)[NH+](C)C ZINC001545817214 1067147431 /nfs/dbraw/zinc/14/74/31/1067147431.db2.gz GNLOPLPTDGLBCG-XZOQPEGZSA-N 1 0 457.711 4.888 20 0 JJADRO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)sc1Br ZINC001451125426 1067148076 /nfs/dbraw/zinc/14/80/76/1067148076.db2.gz JRYIBECXMPQJQR-RBUKOAKNSA-N 1 0 474.399 4.751 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545817371 1067148650 /nfs/dbraw/zinc/14/86/50/1067148650.db2.gz IUUYLOAKZVRXJK-GMAHTHKFSA-N 1 0 488.746 4.643 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545817370 1067148710 /nfs/dbraw/zinc/14/87/10/1067148710.db2.gz IUUYLOAKZVRXJK-GGAORHGYSA-N 1 0 488.746 4.643 20 0 JJADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC001451131094 1067148790 /nfs/dbraw/zinc/14/87/90/1067148790.db2.gz IZZBJZDGBGFFOP-UHFFFAOYSA-N 1 0 458.356 4.914 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001545817557 1067149897 /nfs/dbraw/zinc/14/98/97/1067149897.db2.gz LQWBSPOPUVVKTO-AREMUKBSSA-N 1 0 458.654 4.924 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001545817713 1067151126 /nfs/dbraw/zinc/15/11/26/1067151126.db2.gz OKVKMBGOIYAZPR-AREMUKBSSA-N 1 0 458.654 4.924 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001545817726 1067151244 /nfs/dbraw/zinc/15/12/44/1067151244.db2.gz OMNBCCLIUOLDLJ-CVDCTZTESA-N 1 0 488.746 4.643 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001545817714 1067151310 /nfs/dbraw/zinc/15/13/10/1067151310.db2.gz OKVKMBGOIYAZPR-SANMLTNESA-N 1 0 458.654 4.924 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1)[NH+](C)C ZINC001545817857 1067151787 /nfs/dbraw/zinc/15/17/87/1067151787.db2.gz QSJQQLHDQUTCDW-JOCHJYFZSA-N 1 0 478.689 4.512 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2ccco2)C1)[NH+]1CCOCC1 ZINC001545817889 1067151818 /nfs/dbraw/zinc/15/18/18/1067151818.db2.gz RLUCIFHFUDUSSM-FCHUYYIVSA-N 1 0 457.663 4.591 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1)[NH+](C)C ZINC001545818225 1067152461 /nfs/dbraw/zinc/15/24/61/1067152461.db2.gz YAQPBOGNIQGCNM-BWKNWUBXSA-N 1 0 489.655 4.766 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1)[NH+](C)C ZINC001545818066 1067152617 /nfs/dbraw/zinc/15/26/17/1067152617.db2.gz VGYOSVDIVBDVJI-QFIPXVFZSA-N 1 0 484.737 4.545 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCC2)C1)[NH+](C)C ZINC001545819132 1067153273 /nfs/dbraw/zinc/15/32/73/1067153273.db2.gz AJNCMNNSQPBAFV-BHIFYINESA-N 1 0 488.721 4.796 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(c2cc(C)ccc2C)CC1)[NH+](C)C ZINC001545819451 1067154736 /nfs/dbraw/zinc/15/47/36/1067154736.db2.gz GIESYXKKXQLODF-RUZDIDTESA-N 1 0 452.691 4.540 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CCC[C@H]2c2ccc(COC)o2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819442 1067154821 /nfs/dbraw/zinc/15/48/21/1067154821.db2.gz FZLNGCLHSBJYAU-GOTSBHOMSA-N 1 0 487.689 4.794 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001545819611 1067155484 /nfs/dbraw/zinc/15/54/84/1067155484.db2.gz JIFFNDLNACERDA-DYESRHJHSA-N 1 0 466.095 4.819 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2cccc(F)c2)C1)[NH+](C)C ZINC001545819642 1067155490 /nfs/dbraw/zinc/15/54/90/1067155490.db2.gz JXDIDNUEWTWYCE-NOZRDPDXSA-N 1 0 481.664 4.639 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545819738 1067156158 /nfs/dbraw/zinc/15/61/58/1067156158.db2.gz LGPDKGAMUYZQST-NVQXNPDNSA-N 1 0 476.109 4.779 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C)[NH+](C)C ZINC001545820006 1067156436 /nfs/dbraw/zinc/15/64/36/1067156436.db2.gz PYFYFRNOCRNNHP-BHIFYINESA-N 1 0 460.066 4.969 20 0 JJADRO CCC(CC)[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001545820109 1067157135 /nfs/dbraw/zinc/15/71/35/1067157135.db2.gz RCQWPHAGBJDAQG-JTAQYXEDSA-N 1 0 459.704 4.859 20 0 JJADRO CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001545820259 1067158546 /nfs/dbraw/zinc/15/85/46/1067158546.db2.gz UVHZUAXIYNHMBS-BVYCBKJFSA-N 1 0 481.607 4.586 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545820278 1067158558 /nfs/dbraw/zinc/15/85/58/1067158558.db2.gz VCSTWNKIQPYSHJ-YKSBVNFPSA-N 1 0 466.674 4.651 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)[NH+](C)C ZINC001545820482 1067159251 /nfs/dbraw/zinc/15/92/51/1067159251.db2.gz YIOKTNNNUAXAOV-VJTSUQJLSA-N 1 0 469.674 4.537 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)C[C@@H]1CC)[NH+]1CCOCC1 ZINC001545820515 1067159882 /nfs/dbraw/zinc/15/98/82/1067159882.db2.gz YSMBDLSJNILVBG-OIBXWCBGSA-N 1 0 459.704 4.692 20 0 JJADRO CC1CCC(C)(C(=O)NCC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001451325877 1067160090 /nfs/dbraw/zinc/16/00/90/1067160090.db2.gz HXVKNHJDJRMKAN-UHFFFAOYSA-N 1 0 457.659 4.879 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+](C)C ZINC001545821377 1067160435 /nfs/dbraw/zinc/16/04/35/1067160435.db2.gz BUOJPBMYTNCGIM-BDKRGJGYSA-N 1 0 463.711 4.567 20 0 JJADRO CC(C)n1c(=O)c2ccccc2nc1SCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001458830504 1067161438 /nfs/dbraw/zinc/16/14/38/1067161438.db2.gz APADVFPPYWEFKJ-UHFFFAOYSA-N 1 0 457.043 4.935 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001545822188 1067163008 /nfs/dbraw/zinc/16/30/08/1067163008.db2.gz VXJANEXJXUIAAX-KHFRZORUSA-N 1 0 475.722 4.568 20 0 JJADRO COC(=O)Cc1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)c(F)c1 ZINC001458838150 1067166368 /nfs/dbraw/zinc/16/63/68/1067166368.db2.gz MFTSOEUBGUXOBX-BJKOFHAPSA-N 1 0 461.533 4.671 20 0 JJADRO CC(C)([C@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458839801 1067166763 /nfs/dbraw/zinc/16/67/63/1067166763.db2.gz UQSIDAREIZNYAZ-ZJSXRUAMSA-N 1 0 458.549 4.868 20 0 JJADRO CC(C)([C@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458839936 1067166844 /nfs/dbraw/zinc/16/68/44/1067166844.db2.gz VLDFLCSWDHJOAD-JOCHJYFZSA-N 1 0 456.562 4.758 20 0 JJADRO CCC(CC)c1cc(Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)on1 ZINC001545824591 1067169335 /nfs/dbraw/zinc/16/93/35/1067169335.db2.gz COXMVXXHBZDBRK-UHFFFAOYSA-N 1 0 479.673 4.762 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001545826143 1067173517 /nfs/dbraw/zinc/17/35/17/1067173517.db2.gz GZRUGUWXSXVEQW-VGOFRKELSA-N 1 0 490.643 4.793 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001545826997 1067177229 /nfs/dbraw/zinc/17/72/29/1067177229.db2.gz YQNPQCKGVFEBKB-GHTZIAJQSA-N 1 0 470.637 4.550 20 0 JJADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC001451571741 1067178381 /nfs/dbraw/zinc/17/83/81/1067178381.db2.gz YCRRWJJFGKCSAQ-UHFFFAOYSA-N 1 0 452.957 4.903 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001451585660 1067179630 /nfs/dbraw/zinc/17/96/30/1067179630.db2.gz JFDVQGASNSIHGF-BELIEFIBSA-N 1 0 469.670 4.734 20 0 JJADRO CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001458877087 1067183076 /nfs/dbraw/zinc/18/30/76/1067183076.db2.gz NXLMSYZYKKMYQK-PKTZIBPZSA-N 1 0 453.593 4.824 20 0 JJADRO CCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c(OCCC)c1 ZINC001458879168 1067184428 /nfs/dbraw/zinc/18/44/28/1067184428.db2.gz RGBDSCLDWTVIAK-RPBOFIJWSA-N 1 0 459.675 4.673 20 0 JJADRO COc1cc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)ccc1OCC[NH+](C)C ZINC001451664800 1067184745 /nfs/dbraw/zinc/18/47/45/1067184745.db2.gz GCNTVBQBEQPALW-UHFFFAOYSA-N 1 0 452.001 4.655 20 0 JJADRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)CC2)CC1 ZINC001451671895 1067185539 /nfs/dbraw/zinc/18/55/39/1067185539.db2.gz GPGDRQYCYCDSMK-UHFFFAOYSA-N 1 0 459.993 4.904 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001545835183 1067186469 /nfs/dbraw/zinc/18/64/69/1067186469.db2.gz NZKLIOQAAFJVPH-UHFFFAOYSA-N 1 0 493.071 4.890 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001546104561 1067189799 /nfs/dbraw/zinc/18/97/99/1067189799.db2.gz BENAXMLUYCGBAF-GOSISDBHSA-N 1 0 477.495 4.795 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001545836633 1067190044 /nfs/dbraw/zinc/19/00/44/1067190044.db2.gz SWOUXARWGQDGNG-BCHFMIIMSA-N 1 0 489.108 4.997 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(CC)C2CCCC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545843782 1067195612 /nfs/dbraw/zinc/19/56/12/1067195612.db2.gz ITMPZWKTJXRBTO-QHCPKHFHSA-N 1 0 458.695 4.763 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)C1CCCCC1 ZINC001451877610 1067195886 /nfs/dbraw/zinc/19/58/86/1067195886.db2.gz FKJCDZJIYIRDRF-GOSISDBHSA-N 1 0 450.649 4.712 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001451950210 1067200433 /nfs/dbraw/zinc/20/04/33/1067200433.db2.gz MHQXZKOWAFRIHZ-KEZOAJOQSA-N 1 0 469.670 4.733 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001451950607 1067200506 /nfs/dbraw/zinc/20/05/06/1067200506.db2.gz MHQXZKOWAFRIHZ-OLKYXYMISA-N 1 0 469.670 4.733 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001545848906 1067201749 /nfs/dbraw/zinc/20/17/49/1067201749.db2.gz HVJZRBAESWJNCM-QENXHYHDSA-N 1 0 494.728 4.980 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001545849153 1067202653 /nfs/dbraw/zinc/20/26/53/1067202653.db2.gz LBZRQFPQCVNMNG-RTWAWAEBSA-N 1 0 460.711 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@H]2C)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001545849427 1067203140 /nfs/dbraw/zinc/20/31/40/1067203140.db2.gz OLDBDTHSDOWWAU-LEWJYISDSA-N 1 0 468.690 4.710 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001545849481 1067203295 /nfs/dbraw/zinc/20/32/95/1067203295.db2.gz PEIMIEHFUQKROR-QPPBQGQZSA-N 1 0 480.701 4.906 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545849946 1067204698 /nfs/dbraw/zinc/20/46/98/1067204698.db2.gz XAUYDSPBKYTWPH-BKSPAHHJSA-N 1 0 480.701 4.516 20 0 JJADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC001452066635 1067206061 /nfs/dbraw/zinc/20/60/61/1067206061.db2.gz LDLKYBPWUOXZPX-UHFFFAOYSA-N 1 0 454.398 4.512 20 0 JJADRO CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001546036888 1067212018 /nfs/dbraw/zinc/21/20/18/1067212018.db2.gz MFIZSZQMHMMWQO-XMMPIXPASA-N 1 0 467.702 4.821 20 0 JJADRO C[N@@H+]1C[C@@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)[C@H](c2ccccc2)C1 ZINC001452178695 1067212166 /nfs/dbraw/zinc/21/21/66/1067212166.db2.gz JYPOFMQUYSKIDC-SMIHKQSGSA-N 1 0 457.659 4.559 20 0 JJADRO Cc1cc2cc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)oc2c(Br)c1 ZINC001458972863 1067213602 /nfs/dbraw/zinc/21/36/02/1067213602.db2.gz JILIUFDIUVRTMB-IBGZPJMESA-N 1 0 457.368 4.525 20 0 JJADRO CC1(C(=O)Oc2cc(F)cc(I)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001458984872 1067219282 /nfs/dbraw/zinc/21/92/82/1067219282.db2.gz YCMQEQSTNRAAOT-UHFFFAOYSA-N 1 0 453.295 4.638 20 0 JJADRO CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001546104937 1067220592 /nfs/dbraw/zinc/22/05/92/1067220592.db2.gz OEWDXFPRMSYCNW-KCWPFWIISA-N 1 0 469.674 4.638 20 0 JJADRO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001546038292 1067221945 /nfs/dbraw/zinc/22/19/45/1067221945.db2.gz IFPPGDMOXYKHGD-OAQYLSRUSA-N 1 0 473.731 4.962 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001452528503 1067231579 /nfs/dbraw/zinc/23/15/79/1067231579.db2.gz DEDOWLHSYYYXQQ-QHCPKHFHSA-N 1 0 455.643 4.681 20 0 JJADRO CCC(O)(CC)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001546041612 1067240287 /nfs/dbraw/zinc/24/02/87/1067240287.db2.gz INQACNZDRAUTDT-UHFFFAOYSA-N 1 0 471.690 4.761 20 0 JJADRO CCC(O)(CC)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001546041606 1067240326 /nfs/dbraw/zinc/24/03/26/1067240326.db2.gz ILXCPLLBRWGMPU-UHFFFAOYSA-N 1 0 484.472 4.682 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001546106163 1067241916 /nfs/dbraw/zinc/24/19/16/1067241916.db2.gz LJUSOKRKMFKYFT-NRFANRHFSA-N 1 0 467.614 4.875 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)[NH+](C)C ZINC001459072380 1067244742 /nfs/dbraw/zinc/24/47/42/1067244742.db2.gz MSCCCUQEIGEGEG-MHWRTBLVSA-N 1 0 459.634 4.639 20 0 JJADRO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001546043667 1067249470 /nfs/dbraw/zinc/24/94/70/1067249470.db2.gz ZUKJVXYZGJZBQU-UEQSERJNSA-N 1 0 489.749 4.839 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC([NH2+]C(C)C)CC2)O1 ZINC001546045104 1067258528 /nfs/dbraw/zinc/25/85/28/1067258528.db2.gz KYIFKPLDHMZKGN-JDRJUVJTSA-N 1 0 473.637 4.872 20 0 JJADRO O=C(CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccnn1Cc1ccccc1Cl ZINC001459141412 1067259507 /nfs/dbraw/zinc/25/95/07/1067259507.db2.gz KDMSWKBXSBYXSG-OAQYLSRUSA-N 1 0 455.027 4.921 20 0 JJADRO C[NH+](C)CCc1ccccc1NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 ZINC001459147750 1067261032 /nfs/dbraw/zinc/26/10/32/1067261032.db2.gz MVMKNVQWLJIUBQ-UHFFFAOYSA-N 1 0 453.652 4.832 20 0 JJADRO COc1cccc(N2CC[NH+](CCS[C@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001459253506 1067277645 /nfs/dbraw/zinc/27/76/45/1067277645.db2.gz XLEZRJSOTVOPNP-HXUWFJFHSA-N 1 0 455.668 4.875 20 0 JJADRO COc1cccc(-c2nc(CSCC[NH+]3CCN(c4cccc(OC)c4)CC3)cs2)c1 ZINC001459253735 1067277826 /nfs/dbraw/zinc/27/78/26/1067277826.db2.gz ZJEPAHNKZMDTOW-UHFFFAOYSA-N 1 0 455.649 4.883 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)OC(C)C ZINC001459291190 1067283599 /nfs/dbraw/zinc/28/35/99/1067283599.db2.gz UIIMIFFFSDMZOA-OYRHQHFDSA-N 1 0 479.646 4.650 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)OC(C)C ZINC001459291194 1067283635 /nfs/dbraw/zinc/28/36/35/1067283635.db2.gz UIIMIFFFSDMZOA-VDKIKQQVSA-N 1 0 479.646 4.650 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001453169605 1067285405 /nfs/dbraw/zinc/28/54/05/1067285405.db2.gz JZCNLRSCKHNJHO-FQEVSTJZSA-N 1 0 452.039 4.656 20 0 JJADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001453174392 1067285810 /nfs/dbraw/zinc/28/58/10/1067285810.db2.gz VZQVWCZTXYEHFF-UHFFFAOYSA-N 1 0 452.561 4.915 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1 ZINC001453317336 1067296903 /nfs/dbraw/zinc/29/69/03/1067296903.db2.gz DFPJNKKPOVXKNE-QGZVFWFLSA-N 1 0 453.384 4.662 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC2)C1 ZINC001453320519 1067297253 /nfs/dbraw/zinc/29/72/53/1067297253.db2.gz CXANRBMGAPGBOK-NRFANRHFSA-N 1 0 459.631 4.765 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350430 1067300551 /nfs/dbraw/zinc/30/05/51/1067300551.db2.gz XQGGRMHTCNVDBP-AZGAKELHSA-N 1 0 452.595 4.861 20 0 JJADRO Cc1cc(I)ccc1NC(=O)C[N@@H+](CCc1ccccc1)CC(C)C ZINC001459361927 1067303404 /nfs/dbraw/zinc/30/34/04/1067303404.db2.gz DKIGCYOEOSKAMV-UHFFFAOYSA-N 1 0 450.364 4.739 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2)C1 ZINC001453400581 1067304486 /nfs/dbraw/zinc/30/44/86/1067304486.db2.gz NRRGLWZONFIKJT-REWPJTCUSA-N 1 0 457.615 4.588 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001453496719 1067309389 /nfs/dbraw/zinc/30/93/89/1067309389.db2.gz NVIALTXBMLWMRQ-DEOSSOPVSA-N 1 0 451.611 4.945 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)O1 ZINC001546052163 1067310439 /nfs/dbraw/zinc/31/04/39/1067310439.db2.gz SJKPBMPGJBZPNX-FQRUVTKNSA-N 1 0 455.647 4.612 20 0 JJADRO COCc1ccccc1CNC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@H]1C ZINC001459392047 1067311486 /nfs/dbraw/zinc/31/14/86/1067311486.db2.gz LBRVZVJNASGKDB-DCLXLUIPSA-N 1 0 452.595 4.505 20 0 JJADRO C[C@@H]1CCC[C@H]([N@H+](CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001459392852 1067312161 /nfs/dbraw/zinc/31/21/61/1067312161.db2.gz LVPATRCIGNGRIF-MSYCTHLASA-N 1 0 459.608 4.525 20 0 JJADRO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001459394926 1067312550 /nfs/dbraw/zinc/31/25/50/1067312550.db2.gz ZVSXOSJWKZXBKY-WZONZLPQSA-N 1 0 452.599 4.673 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001459395022 1067312835 /nfs/dbraw/zinc/31/28/35/1067312835.db2.gz GHHWSOAAZSBCFC-DQEYMECFSA-N 1 0 452.639 4.839 20 0 JJADRO FC(F)(F)c1cc(CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccc1Cl ZINC001459398368 1067313425 /nfs/dbraw/zinc/31/34/25/1067313425.db2.gz YNXDFGDRHYMWRD-LJQANCHMSA-N 1 0 452.952 4.788 20 0 JJADRO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC001459410892 1067316020 /nfs/dbraw/zinc/31/60/20/1067316020.db2.gz GYTFFNVQRYHGIL-QGZVFWFLSA-N 1 0 455.580 4.780 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(F)(F)c1ccc(Br)cc1 ZINC001459416256 1067318925 /nfs/dbraw/zinc/31/89/25/1067318925.db2.gz MEEWJGAGPYFVCM-IBGZPJMESA-N 1 0 451.355 4.958 20 0 JJADRO Cc1cc(C(=O)NC2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC2)c(C)o1 ZINC001459417601 1067319705 /nfs/dbraw/zinc/31/97/05/1067319705.db2.gz WYADAZZMOGYZOE-XDNSSPFJSA-N 1 0 459.631 4.659 20 0 JJADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@H+](CCc3ccccc3)C3CCCC3)nc2c1 ZINC001459458076 1067328431 /nfs/dbraw/zinc/32/84/31/1067328431.db2.gz ZZHMTHXIRYYTHF-UHFFFAOYSA-N 1 0 454.640 4.581 20 0 JJADRO C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459473897 1067334460 /nfs/dbraw/zinc/33/44/60/1067334460.db2.gz HCXQWSYNQAUNST-RZQQEMMASA-N 1 0 463.418 4.559 20 0 JJADRO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C3CCOCC3)C2=O)cc(C)c1OCc1ccccc1Cl ZINC001459506801 1067340644 /nfs/dbraw/zinc/34/06/44/1067340644.db2.gz YYBCABQVOBKICM-XMMPIXPASA-N 1 0 457.014 4.748 20 0 JJADRO CO[C@@H](Cc1ccccc1)C[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC001459522388 1067343856 /nfs/dbraw/zinc/34/38/56/1067343856.db2.gz COLIACQNWFBUSM-FQEVSTJZSA-N 1 0 452.492 4.552 20 0 JJADRO COc1ccccc1CCC[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC001459523033 1067344115 /nfs/dbraw/zinc/34/41/15/1067344115.db2.gz DPUYZGPEMXZNAB-UHFFFAOYSA-N 1 0 452.492 4.936 20 0 JJADRO CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459554998 1067350214 /nfs/dbraw/zinc/35/02/14/1067350214.db2.gz BIIQKKQNURAQCK-HLULCQHTSA-N 1 0 451.611 4.594 20 0 JJADRO CC[N@H+](CCOc1ccc(Br)cc1)Cc1cc2c(c(Br)c1)OCO2 ZINC001459578856 1067355978 /nfs/dbraw/zinc/35/59/78/1067355978.db2.gz STHVVTYYPJBXMS-UHFFFAOYSA-N 1 0 457.162 4.841 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001459583331 1067357026 /nfs/dbraw/zinc/35/70/26/1067357026.db2.gz QYHSUNZXSYVVQW-FQEVSTJZSA-N 1 0 457.640 4.645 20 0 JJADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001459593722 1067359425 /nfs/dbraw/zinc/35/94/25/1067359425.db2.gz MEOSSGIOFARUMM-HXUWFJFHSA-N 1 0 458.444 4.991 20 0 JJADRO CC[NH+](CC)[C@@H]1CCN(CC(=O)N(Cc2ccccc2)c2nc3c(ccc(C)c3C)s2)C1 ZINC001459598109 1067360182 /nfs/dbraw/zinc/36/01/82/1067360182.db2.gz QJTGOZGHFXLNHB-JOCHJYFZSA-N 1 0 450.652 4.862 20 0 JJADRO CC(C)[N@H+](CCOc1ccc2cc(Br)ccc2c1)C[C@H](O)CC1(O)CCCC1 ZINC001459599068 1067360428 /nfs/dbraw/zinc/36/04/28/1067360428.db2.gz WEPUTXQROVRANB-OAQYLSRUSA-N 1 0 450.417 4.748 20 0 JJADRO COc1cc(CNC(=O)C[N@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)cc(OC)c1OC ZINC001459601684 1067360668 /nfs/dbraw/zinc/36/06/68/1067360668.db2.gz XVBNGHVYHYPORS-XZOQPEGZSA-N 1 0 458.643 4.932 20 0 JJADRO CC(=O)N(c1nc(CN2CC[C@H]([NH+]3CCCCC3)C2)cs1)c1cccc(C(F)(F)F)c1 ZINC001459605069 1067361195 /nfs/dbraw/zinc/36/11/95/1067361195.db2.gz XOQKUCVBULNLNC-FQEVSTJZSA-N 1 0 452.546 4.907 20 0 JJADRO O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC001459604568 1067361405 /nfs/dbraw/zinc/36/14/05/1067361405.db2.gz AJWBHFHNGVZOQO-IEBWSBKVSA-N 1 0 456.530 4.631 20 0 JJADRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)C1 ZINC001459606781 1067361637 /nfs/dbraw/zinc/36/16/37/1067361637.db2.gz HJVUPLFGNLYLDT-QHCPKHFHSA-N 1 0 459.638 4.758 20 0 JJADRO Cc1cc(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611898 1067363719 /nfs/dbraw/zinc/36/37/19/1067363719.db2.gz YTSTVFXNNKGQGR-SFTDATJTSA-N 1 0 456.587 4.688 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)C[C@H]1C ZINC001459613039 1067364185 /nfs/dbraw/zinc/36/41/85/1067364185.db2.gz JJBCXRGUPHPFFY-VWNXMTODSA-N 1 0 459.638 4.899 20 0 JJADRO NS(=O)(=O)c1ccc(CC[N@H+](CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)cc1 ZINC001459619851 1067365954 /nfs/dbraw/zinc/36/59/54/1067365954.db2.gz GOXQDDJWMDTTJS-UHFFFAOYSA-N 1 0 453.435 4.770 20 0 JJADRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC001459627487 1067367721 /nfs/dbraw/zinc/36/77/21/1067367721.db2.gz RTTHPQPVDZJJHA-RPWUZVMVSA-N 1 0 453.627 4.510 20 0 JJADRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC001459627482 1067367841 /nfs/dbraw/zinc/36/78/41/1067367841.db2.gz RTTHPQPVDZJJHA-DNQXCXABSA-N 1 0 453.627 4.510 20 0 JJADRO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)ccc1Br ZINC001459636819 1067369536 /nfs/dbraw/zinc/36/95/36/1067369536.db2.gz QDPMLWXWNPQGTI-OAHLLOKOSA-N 1 0 456.425 4.567 20 0 JJADRO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459664535 1067375923 /nfs/dbraw/zinc/37/59/23/1067375923.db2.gz AFQIBKRKXCLXPN-NKKJXINNSA-N 1 0 454.611 4.639 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001459667362 1067376631 /nfs/dbraw/zinc/37/66/31/1067376631.db2.gz INDNSEZJWFFBSA-FXAWDEMLSA-N 1 0 457.640 4.501 20 0 JJADRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC001459667049 1067376657 /nfs/dbraw/zinc/37/66/57/1067376657.db2.gz RLQCHEDWYIFLRH-UHFFFAOYSA-N 1 0 453.384 4.545 20 0 JJADRO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666065 1067376733 /nfs/dbraw/zinc/37/67/33/1067376733.db2.gz YJMWYATULWASHF-HKUYNNGSSA-N 1 0 459.999 4.731 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001459667370 1067377205 /nfs/dbraw/zinc/37/72/05/1067377205.db2.gz INDNSEZJWFFBSA-XLIONFOSSA-N 1 0 457.640 4.501 20 0 JJADRO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459668487 1067377656 /nfs/dbraw/zinc/37/76/56/1067377656.db2.gz HIEAUNUXGBUZQT-FJIJXJHWSA-N 1 0 454.611 4.558 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)[C@H](C)C1 ZINC001459671933 1067379374 /nfs/dbraw/zinc/37/93/74/1067379374.db2.gz WTZCSELQTGIOOS-ATIYNZHBSA-N 1 0 459.638 4.757 20 0 JJADRO COc1cc(N[C@H]2CCC[N@H+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)C2)cc(OC)c1 ZINC001459696238 1067386573 /nfs/dbraw/zinc/38/65/73/1067386573.db2.gz RNCIGGJEVWMEAT-NRFANRHFSA-N 1 0 457.590 4.547 20 0 JJADRO CC(C)(C)OC(=O)N1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C2(CCCCC2)C1 ZINC001459696988 1067386821 /nfs/dbraw/zinc/38/68/21/1067386821.db2.gz JRGIWSDPDVGUBG-LJQANCHMSA-N 1 0 456.549 4.864 20 0 JJADRO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706983 1067389757 /nfs/dbraw/zinc/38/97/57/1067389757.db2.gz HHLXEWQSFHTJOW-HOYKHHGWSA-N 1 0 452.549 4.592 20 0 JJADRO CCCCn1c(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459706943 1067389980 /nfs/dbraw/zinc/38/99/80/1067389980.db2.gz BZFYRUVJKFATEI-TZIWHRDSSA-N 1 0 451.615 4.548 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc4[nH]c(C(F)F)nc4c3)c(OCC)c2)CC1 ZINC001459711289 1067391711 /nfs/dbraw/zinc/39/17/11/1067391711.db2.gz VARYETHVJTWHRE-UHFFFAOYSA-N 1 0 457.525 4.684 20 0 JJADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC001459712459 1067391928 /nfs/dbraw/zinc/39/19/28/1067391928.db2.gz DOPAUKWBNKKEEN-IBGZPJMESA-N 1 0 455.755 4.626 20 0 JJADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001459712935 1067392327 /nfs/dbraw/zinc/39/23/27/1067392327.db2.gz HLTAVKQUFSGVIS-UHFFFAOYSA-N 1 0 458.393 4.617 20 0 JJADRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001459714856 1067393398 /nfs/dbraw/zinc/39/33/98/1067393398.db2.gz HJSVHJIXQOPPSX-NRFANRHFSA-N 1 0 450.501 4.972 20 0 JJADRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001459722940 1067395978 /nfs/dbraw/zinc/39/59/78/1067395978.db2.gz UDAWZOAXSUDYNQ-FQRUVTKNSA-N 1 0 458.647 4.679 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001459724775 1067396175 /nfs/dbraw/zinc/39/61/75/1067396175.db2.gz XRWQLENIPFSFKB-SRGWNRLKSA-N 1 0 453.574 4.547 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001459723990 1067396296 /nfs/dbraw/zinc/39/62/96/1067396296.db2.gz XRWQLENIPFSFKB-HOZJOUCCSA-N 1 0 453.574 4.547 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC001459741454 1067401944 /nfs/dbraw/zinc/40/19/44/1067401944.db2.gz IYOBFAKHWCDWRB-SFHVURJKSA-N 1 0 457.537 4.509 20 0 JJADRO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Cl)cc1-n1cncn1 ZINC001459756016 1067408503 /nfs/dbraw/zinc/40/85/03/1067408503.db2.gz ZGWHSDKJFDEKLV-UHFFFAOYSA-N 1 0 451.880 4.789 20 0 JJADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@H](O)c2cccc3ccccc32)CC1 ZINC001459756230 1067408922 /nfs/dbraw/zinc/40/89/22/1067408922.db2.gz SDGIGWOPHDQWFZ-QHCPKHFHSA-N 1 0 453.380 4.986 20 0 JJADRO CCn1c(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001459770796 1067415007 /nfs/dbraw/zinc/41/50/07/1067415007.db2.gz QPVBBAXBSJWSTL-VWLOTQADSA-N 1 0 454.640 4.718 20 0 JJADRO CC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001459771839 1067415554 /nfs/dbraw/zinc/41/55/54/1067415554.db2.gz MGDJCKZFEDQQEP-FQEVSTJZSA-N 1 0 452.595 4.547 20 0 JJADRO CCC[C@@H]1CN(CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)CC[N@@H+]1CCOC ZINC001459783561 1067420559 /nfs/dbraw/zinc/42/05/59/1067420559.db2.gz CMSIJBIOOJPNDP-HSZRJFAPSA-N 1 0 455.668 4.826 20 0 JJADRO CCOC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccc(OC)c(OC)c2)C2CCCCC2)cc1 ZINC001459786947 1067422200 /nfs/dbraw/zinc/42/22/00/1067422200.db2.gz RXRCFMUYPXFQRE-UHFFFAOYSA-N 1 0 454.567 4.654 20 0 JJADRO O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790042 1067423345 /nfs/dbraw/zinc/42/33/45/1067423345.db2.gz ZKKJHUSHDZXZJE-OLZOCXBDSA-N 1 0 454.436 4.800 20 0 JJADRO CC(C)([C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccc(F)c(F)c1)N1CCCC1 ZINC001459812888 1067434398 /nfs/dbraw/zinc/43/43/98/1067434398.db2.gz HKBUULJYWMRURJ-RTWAWAEBSA-N 1 0 453.371 4.966 20 0 JJADRO COc1ccc(CN2CCCN(C(=O)C[NH2+][C@H](CC(C)(C)C)c3ccc(F)cc3)CC2)cc1 ZINC001459830824 1067443758 /nfs/dbraw/zinc/44/37/58/1067443758.db2.gz MOILUQGKOQTRSK-RUZDIDTESA-N 1 0 455.618 4.636 20 0 JJADRO COc1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001459832130 1067444351 /nfs/dbraw/zinc/44/43/51/1067444351.db2.gz FAAFBHWHRUAIPZ-DYESRHJHSA-N 1 0 455.986 4.946 20 0 JJADRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2c(Br)cc(C)cc2Br)c1 ZINC001459837010 1067446803 /nfs/dbraw/zinc/44/68/03/1067446803.db2.gz CYWHVMLFMMYFIV-GFCCVEGCSA-N 1 0 456.178 4.818 20 0 JJADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCCO2 ZINC001459837888 1067446888 /nfs/dbraw/zinc/44/68/88/1067446888.db2.gz WNZCCNIOEGBOEZ-FZKQIMNGSA-N 1 0 459.518 4.927 20 0 JJADRO C[N@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[C@H]1CCCC[C@@H]1O ZINC001459840134 1067448072 /nfs/dbraw/zinc/44/80/72/1067448072.db2.gz LMSNEAJCVUYVHR-OIBXWCBGSA-N 1 0 452.422 4.943 20 0 JJADRO C[N@H+](C[C@H](O)CN[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br)C1CC1 ZINC001459842184 1067449092 /nfs/dbraw/zinc/44/90/92/1067449092.db2.gz FUBANWLUGOTIPN-QVKFZJNVSA-N 1 0 455.799 4.570 20 0 JJADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 ZINC001459843959 1067450629 /nfs/dbraw/zinc/45/06/29/1067450629.db2.gz YVADTEZDBSFYFJ-IIBYNOLFSA-N 1 0 458.400 4.871 20 0 JJADRO Cc1nc(-c2ccc([C@H](C)[NH2+]CC(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2)cs1 ZINC001459845826 1067451423 /nfs/dbraw/zinc/45/14/23/1067451423.db2.gz ZHKUSLYRYCLAQY-AWEZNQCLSA-N 1 0 452.971 4.642 20 0 JJADRO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH2+][C@H](C)C1CCOCC1 ZINC001459847213 1067452620 /nfs/dbraw/zinc/45/26/20/1067452620.db2.gz CLFSQPNDBSFTIB-CQSZACIVSA-N 1 0 450.988 4.588 20 0 JJADRO CC[C@@H](C)[C@@H]([NH2+]Cc1ccnc(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459847755 1067453159 /nfs/dbraw/zinc/45/31/59/1067453159.db2.gz BNPQWUCIRRBRLX-WZONZLPQSA-N 1 0 458.444 4.830 20 0 JJADRO CN(C)c1ncc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC001459848976 1067454108 /nfs/dbraw/zinc/45/41/08/1067454108.db2.gz VOWFWWBHHAOZRO-QFIPXVFZSA-N 1 0 456.512 4.773 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@@H](c2ccccc2C)C(C)C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459850087 1067455071 /nfs/dbraw/zinc/45/50/71/1067455071.db2.gz NASRGFJXJXYMMQ-PKTZIBPZSA-N 1 0 455.986 4.806 20 0 JJADRO O=C1[C@H]([NH2+][C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CCN1C1CCOCC1 ZINC001459850094 1067455096 /nfs/dbraw/zinc/45/50/96/1067455096.db2.gz NELFJFGBUJAGSZ-FGZHOGPDSA-N 1 0 451.369 4.786 20 0 JJADRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC001459851801 1067456049 /nfs/dbraw/zinc/45/60/49/1067456049.db2.gz HGZOOBJSQFNWGE-NHCUHLMSSA-N 1 0 451.394 4.769 20 0 JJADRO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001459851319 1067456236 /nfs/dbraw/zinc/45/62/36/1067456236.db2.gz QJNSUWSVFZSJMA-FQEVSTJZSA-N 1 0 456.942 4.796 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459865753 1067463689 /nfs/dbraw/zinc/46/36/89/1067463689.db2.gz YROVUKJTIHHNLX-GJZGRUSLSA-N 1 0 450.377 4.839 20 0 JJADRO C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC001459866759 1067464001 /nfs/dbraw/zinc/46/40/01/1067464001.db2.gz VKBUBRGEZILHSX-KZULUSFZSA-N 1 0 457.290 4.994 20 0 JJADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC001459867717 1067464654 /nfs/dbraw/zinc/46/46/54/1067464654.db2.gz LCTRIBBYESUTFB-HTAPYJJXSA-N 1 0 459.512 4.674 20 0 JJADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC001459868960 1067465679 /nfs/dbraw/zinc/46/56/79/1067465679.db2.gz RTCBTXGBFPYZGN-PIIWDFAUSA-N 1 0 459.565 4.851 20 0 JJADRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC001459869720 1067466313 /nfs/dbraw/zinc/46/63/13/1067466313.db2.gz WFDCIPGTPKIKCB-XMMPIXPASA-N 1 0 450.510 4.523 20 0 JJADRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1ccc(Cl)cc1 ZINC001459870416 1067467260 /nfs/dbraw/zinc/46/72/60/1067467260.db2.gz NRWPGDMZEUGKBM-LWLIDHTLSA-N 1 0 454.739 4.870 20 0 JJADRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)cc1OC ZINC001459885482 1067472990 /nfs/dbraw/zinc/47/29/90/1067472990.db2.gz NLCOHWKEOHXDFT-CYFREDJKSA-N 1 0 450.554 4.902 20 0 JJADRO CC[C@H]1C[N@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459893111 1067476360 /nfs/dbraw/zinc/47/63/60/1067476360.db2.gz UAHNTHFMQKRCQN-URXFXBBRSA-N 1 0 457.659 4.926 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001459895133 1067477197 /nfs/dbraw/zinc/47/71/97/1067477197.db2.gz PLNRFYHVECLAID-UHFFFAOYSA-N 1 0 453.917 4.581 20 0 JJADRO CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001546112584 1067478661 /nfs/dbraw/zinc/47/86/61/1067478661.db2.gz XDGFAYQRFYUSEW-OYRHEFFESA-N 1 0 488.721 4.940 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546112590 1067480680 /nfs/dbraw/zinc/48/06/80/1067480680.db2.gz XFVQGKDFZNCSFM-SFTDATJTSA-N 1 0 473.637 4.512 20 0 JJADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC001459903703 1067481363 /nfs/dbraw/zinc/48/13/63/1067481363.db2.gz LYBCJTPGZMWQKH-DZGCQCFKSA-N 1 0 454.983 4.796 20 0 JJADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC001459906074 1067483040 /nfs/dbraw/zinc/48/30/40/1067483040.db2.gz NECUAUCWYHCHHG-CYBMUJFWSA-N 1 0 455.381 4.740 20 0 JJADRO COc1ccc(CNC(=O)CC[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)c(OC)c1 ZINC001459905789 1067483080 /nfs/dbraw/zinc/48/30/80/1067483080.db2.gz RGRIORAWVRZFAS-OAHLLOKOSA-N 1 0 457.571 4.632 20 0 JJADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC001459906498 1067483600 /nfs/dbraw/zinc/48/36/00/1067483600.db2.gz UYWANCPQOAXOES-CQSZACIVSA-N 1 0 456.999 4.859 20 0 JJADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459907231 1067483622 /nfs/dbraw/zinc/48/36/22/1067483622.db2.gz YVOUNAZVNFGUQU-SFHVURJKSA-N 1 0 452.599 4.565 20 0 JJADRO COc1ccc(NC(=O)c2c(NC(=O)C[NH2+][C@@H]3CCCC[C@H]3C)sc3c2CCCC3)cc1 ZINC001459916015 1067488838 /nfs/dbraw/zinc/48/88/38/1067488838.db2.gz UTPPXZBTYIFVEG-OXQOHEQNSA-N 1 0 455.624 4.995 20 0 JJADRO COc1ccccc1C[C@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C(C)C ZINC001459921787 1067492333 /nfs/dbraw/zinc/49/23/33/1067492333.db2.gz IKUQNCNYAMVOFH-NRFANRHFSA-N 1 0 451.592 4.804 20 0 JJADRO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC001459927066 1067494804 /nfs/dbraw/zinc/49/48/04/1067494804.db2.gz WUJRRVJMGPVCAQ-WMZOPIPTSA-N 1 0 450.988 4.731 20 0 JJADRO COC(=O)c1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c(C)cc1Br ZINC001459927497 1067494869 /nfs/dbraw/zinc/49/48/69/1067494869.db2.gz XECJEXXMMHGDJG-UHFFFAOYSA-N 1 0 459.384 4.785 20 0 JJADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)cc1 ZINC001459935570 1067498476 /nfs/dbraw/zinc/49/84/76/1067498476.db2.gz WMMNCJYQXXFUNY-UHFFFAOYSA-N 1 0 458.546 4.619 20 0 JJADRO Cc1cc(Br)c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1Br ZINC001459939061 1067499614 /nfs/dbraw/zinc/49/96/14/1067499614.db2.gz HIZVEJBDTYSNIX-UHFFFAOYSA-N 1 0 458.194 4.707 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)c1cnn(-c2ccccc2OC)c1CC)c1ccc(Cl)cc1 ZINC001459944988 1067501838 /nfs/dbraw/zinc/50/18/38/1067501838.db2.gz IWRXDLHNTUDAHN-QHCPKHFHSA-N 1 0 455.002 4.910 20 0 JJADRO CCS[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC001459958920 1067507441 /nfs/dbraw/zinc/50/74/41/1067507441.db2.gz CXPVVNDTSJAXAS-GGAORHGYSA-N 1 0 455.624 4.930 20 0 JJADRO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[NH2+][C@@](C)(CO)c3ccccc3)nc2c1C ZINC001459959313 1067507585 /nfs/dbraw/zinc/50/75/85/1067507585.db2.gz DZEZDGLTCZSHTP-MHZLTWQESA-N 1 0 459.615 4.944 20 0 JJADRO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1=O ZINC001459961827 1067508382 /nfs/dbraw/zinc/50/83/82/1067508382.db2.gz LZOPUGLVYNDIDC-OLMNPRSZSA-N 1 0 452.498 4.585 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cc(Cl)c(F)cc3Br)cc2)CC1 ZINC001459962671 1067509252 /nfs/dbraw/zinc/50/92/52/1067509252.db2.gz QXGDXFPJGOMNTO-UHFFFAOYSA-N 1 0 455.755 4.645 20 0 JJADRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001459965495 1067510044 /nfs/dbraw/zinc/51/00/44/1067510044.db2.gz IMKBGUJHQYQQBW-YADHBBJMSA-N 1 0 456.384 4.585 20 0 JJADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC001459978264 1067513634 /nfs/dbraw/zinc/51/36/34/1067513634.db2.gz CVTZFERDLZWLPB-YKSBVNFPSA-N 1 0 459.428 4.978 20 0 JJADRO COc1ccc2c(c1)C[C@@H](C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1)O2 ZINC001459978965 1067513854 /nfs/dbraw/zinc/51/38/54/1067513854.db2.gz CPSYWIXCDOHHTO-BJKOFHAPSA-N 1 0 455.501 4.836 20 0 JJADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001459992008 1067518116 /nfs/dbraw/zinc/51/81/16/1067518116.db2.gz FASGZZVZCVNVMW-QRWLVFNGSA-N 1 0 456.414 4.504 20 0 JJADRO O=C(C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001459999887 1067521431 /nfs/dbraw/zinc/52/14/31/1067521431.db2.gz VGTVNCXYBQNJTD-SFHVURJKSA-N 1 0 457.246 4.589 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](C[NH+]3CCC(Cc4ccc(F)c(F)c4)CC3)C2)C1 ZINC001460002263 1067521847 /nfs/dbraw/zinc/52/18/47/1067521847.db2.gz NDVAEALYKIPFNM-CPJSRVTESA-N 1 0 450.570 4.635 20 0 JJADRO COc1ccc(C(NC(=O)C[NH2+][C@H](C)c2ccc(SC)cc2)c2ccc(OC)cc2)cc1 ZINC001460005187 1067523548 /nfs/dbraw/zinc/52/35/48/1067523548.db2.gz JRGMIKOMCDGMEH-GOSISDBHSA-N 1 0 450.604 4.982 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001460020303 1067530994 /nfs/dbraw/zinc/53/09/94/1067530994.db2.gz VSKMVHJAGWWGKS-NRFANRHFSA-N 1 0 459.631 4.662 20 0 JJADRO FC(F)(F)Oc1cccc(C2([NH2+]Cc3ccc(Cl)cc3-n3cncn3)CCOCC2)c1 ZINC001460032527 1067534821 /nfs/dbraw/zinc/53/48/21/1067534821.db2.gz YKKRJZZPMDJAII-UHFFFAOYSA-N 1 0 452.864 4.615 20 0 JJADRO O=C(CC[NH+]1CCC(O)(Cc2ccccc2F)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC001460032374 1067534913 /nfs/dbraw/zinc/53/49/13/1067534913.db2.gz YANBRCMVLHUPGV-RUZDIDTESA-N 1 0 452.595 4.553 20 0 JJADRO O=C(CC[NH+]1CCC(O)(Cc2ccccc2F)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC001460032386 1067535036 /nfs/dbraw/zinc/53/50/36/1067535036.db2.gz YANBRCMVLHUPGV-VWLOTQADSA-N 1 0 452.595 4.553 20 0 JJADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC001460041501 1067536473 /nfs/dbraw/zinc/53/64/73/1067536473.db2.gz SGJBPPAAFRUFBA-FQEVSTJZSA-N 1 0 458.400 4.566 20 0 JJADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC001460046893 1067538853 /nfs/dbraw/zinc/53/88/53/1067538853.db2.gz ACLYBQKVUZCHSD-CUVVAGTFSA-N 1 0 472.651 4.873 20 0 JJADRO FC(F)(F)c1ccc(C[C@@]2([NH2+]Cc3cc4c(cc3Br)OCO4)CCOC2)cc1 ZINC001460068468 1067545083 /nfs/dbraw/zinc/54/50/83/1067545083.db2.gz IDYIJHOSAZPKHM-IBGZPJMESA-N 1 0 458.274 4.688 20 0 JJADRO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CCOc2cc(F)cc(Br)c2)C1 ZINC001460068133 1067545217 /nfs/dbraw/zinc/54/52/17/1067545217.db2.gz DIPZLIZLNYYEBS-APWZRJJASA-N 1 0 457.384 4.690 20 0 JJADRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001460081661 1067548907 /nfs/dbraw/zinc/54/89/07/1067548907.db2.gz PUTLVFPZONEHSD-LJQANCHMSA-N 1 0 458.427 4.857 20 0 JJADRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001460083685 1067549388 /nfs/dbraw/zinc/54/93/88/1067549388.db2.gz ZOJLJJHPZUGJAS-GOSISDBHSA-N 1 0 457.290 4.776 20 0 JJADRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(OCc4ccccc4F)cc3)CC2)c1C ZINC001460086249 1067550385 /nfs/dbraw/zinc/55/03/85/1067550385.db2.gz UOGLRDUYLILFHH-UHFFFAOYSA-N 1 0 451.542 4.923 20 0 JJADRO CCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@H](C)[C@H](Cc3ccccc3)C(=O)OC)ccc21 ZINC001460093408 1067552771 /nfs/dbraw/zinc/55/27/71/1067552771.db2.gz KLJZXSDMTLSDQR-XXBNENTESA-N 1 0 457.574 4.763 20 0 JJADRO O=C(C[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1)NCc1ccc(N2CCCC2=O)cc1 ZINC001460100527 1067555233 /nfs/dbraw/zinc/55/52/33/1067555233.db2.gz OJQPXMBGLCUCPQ-ZEQRLZLVSA-N 1 0 454.014 4.789 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC001460126520 1067560543 /nfs/dbraw/zinc/56/05/43/1067560543.db2.gz VDAAZYJTRBRDET-DLBZAZTESA-N 1 0 450.988 4.587 20 0 JJADRO O[C@H](C[NH+]1CCN(c2ccnc(F)c2)CC1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001460136015 1067562111 /nfs/dbraw/zinc/56/21/11/1067562111.db2.gz QHMWSYDFDDNXBN-JOCHJYFZSA-N 1 0 456.359 4.506 20 0 JJADRO C[C@@](O)(C[NH2+]C1(Cc2cccc(F)c2)CCOCC1)c1ccc(Br)cc1Cl ZINC001460141379 1067563602 /nfs/dbraw/zinc/56/36/02/1067563602.db2.gz GCGOBMZWUUKHKL-HXUWFJFHSA-N 1 0 456.783 4.831 20 0 JJADRO CCC1(CC)CN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC001546114185 1067564267 /nfs/dbraw/zinc/56/42/67/1067564267.db2.gz YFHKVIRAVBDGGL-HSZRJFAPSA-N 1 0 485.742 4.979 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)C2)C1 ZINC001460146578 1067564537 /nfs/dbraw/zinc/56/45/37/1067564537.db2.gz YTPGHDVXYJDYKO-QMHWCDLVSA-N 1 0 453.048 4.923 20 0 JJADRO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460155828 1067566560 /nfs/dbraw/zinc/56/65/60/1067566560.db2.gz BRMILBCSABPLIP-PCCBWWKXSA-N 1 0 459.631 4.771 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)CCc1cccc(Br)c1 ZINC001460169163 1067569048 /nfs/dbraw/zinc/56/90/48/1067569048.db2.gz GZMFRJHDZWUGBR-SFHVURJKSA-N 1 0 455.400 4.753 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CCc1cccc(Br)c1 ZINC001460169159 1067569237 /nfs/dbraw/zinc/56/92/37/1067569237.db2.gz GZMFRJHDZWUGBR-GOSISDBHSA-N 1 0 455.400 4.753 20 0 JJADRO COc1ccc(-c2csc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c3ccc(OC)c(OC)c3C)n2)cc1 ZINC001460171837 1067569849 /nfs/dbraw/zinc/56/98/49/1067569849.db2.gz BNRGCUQDQCTNGQ-JKSUJKDBSA-N 1 0 455.580 4.822 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460173330 1067570072 /nfs/dbraw/zinc/57/00/72/1067570072.db2.gz HUQRGPABYKADLS-BQJUDKOJSA-N 1 0 451.652 4.791 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1 ZINC001460177653 1067571908 /nfs/dbraw/zinc/57/19/08/1067571908.db2.gz IUKMIGXUEYNXJM-KELGSRBJSA-N 1 0 471.642 4.707 20 0 JJADRO O[C@H](C[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001460182538 1067573340 /nfs/dbraw/zinc/57/33/40/1067573340.db2.gz AKEUWEQQYOEQLJ-PWIZWCRZSA-N 1 0 458.318 4.947 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@@H](CN[C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184438 1067573861 /nfs/dbraw/zinc/57/38/61/1067573861.db2.gz XVJXWNVQCBCEPW-NOZRDPDXSA-N 1 0 453.424 4.988 20 0 JJADRO O=C(CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC001460183716 1067573898 /nfs/dbraw/zinc/57/38/98/1067573898.db2.gz VDXYHTFTAIBHMR-LJAQVGFWSA-N 1 0 456.586 4.563 20 0 JJADRO CN1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001460192555 1067575610 /nfs/dbraw/zinc/57/56/10/1067575610.db2.gz NJERACJHWBQPMI-XJUOHMSHSA-N 1 0 450.385 4.831 20 0 JJADRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460192925 1067575682 /nfs/dbraw/zinc/57/56/82/1067575682.db2.gz AXKVHWRMFBXXDH-RJGXRXQPSA-N 1 0 458.643 4.971 20 0 JJADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 ZINC001460194617 1067576188 /nfs/dbraw/zinc/57/61/88/1067576188.db2.gz HXHCPILJMWAQAN-RUZDIDTESA-N 1 0 458.537 4.841 20 0 JJADRO CC(C)[C@H](CNC(=O)C[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001460196263 1067576388 /nfs/dbraw/zinc/57/63/88/1067576388.db2.gz KGBLTTQSLJVIOF-RPWUZVMVSA-N 1 0 457.659 4.511 20 0 JJADRO C[C@](O)(C[NH+]1CCC(c2noc3cc(F)ccc32)CC1)c1ccc(Br)cc1F ZINC001460197582 1067577003 /nfs/dbraw/zinc/57/70/03/1067577003.db2.gz NTJHYRKANCJXHI-NRFANRHFSA-N 1 0 451.311 4.956 20 0 JJADRO CSc1ccc(OCC[NH+]2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001460200020 1067578006 /nfs/dbraw/zinc/57/80/06/1067578006.db2.gz WKHLKVWUKGHKTF-FCHUYYIVSA-N 1 0 450.645 4.572 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC001460209180 1067579667 /nfs/dbraw/zinc/57/96/67/1067579667.db2.gz RRJHOCIMNCITAV-FQEVSTJZSA-N 1 0 456.549 4.722 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4ccc(F)cc4)s3)CC2)cc1 ZINC001460210267 1067580031 /nfs/dbraw/zinc/58/00/31/1067580031.db2.gz AGGRXAKBGNHMRY-UHFFFAOYSA-N 1 0 451.567 4.907 20 0 JJADRO O=C(C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001460211518 1067580522 /nfs/dbraw/zinc/58/05/22/1067580522.db2.gz CECAQFUOBYULEX-SANMLTNESA-N 1 0 457.574 4.761 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)CCCOc3cccc4ccccc43)CC2)cc1 ZINC001460214046 1067580981 /nfs/dbraw/zinc/58/09/81/1067580981.db2.gz SIGVYRXHSTYXEE-UHFFFAOYSA-N 1 0 459.590 4.738 20 0 JJADRO CCC1(CC)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCCCC2)CCS1 ZINC001546114762 1067582093 /nfs/dbraw/zinc/58/20/93/1067582093.db2.gz FPMSJNYYDMVDFN-ATIYNZHBSA-N 1 0 493.762 4.553 20 0 JJADRO C[C@@H](NC(=O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001460228646 1067584502 /nfs/dbraw/zinc/58/45/02/1067584502.db2.gz CGNKDDWIUGPDBY-OAHLLOKOSA-N 1 0 456.455 4.995 20 0 JJADRO O=C(CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)Nc1ccccc1C(F)(F)F ZINC001460232349 1067585675 /nfs/dbraw/zinc/58/56/75/1067585675.db2.gz BYCICJQAPPNUKD-QFBILLFUSA-N 1 0 459.434 4.654 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)[C@@H]2C1 ZINC001460233709 1067586308 /nfs/dbraw/zinc/58/63/08/1067586308.db2.gz MNPADANQGNTOJX-WMZHIEFXSA-N 1 0 451.567 4.749 20 0 JJADRO COc1cc(Br)ccc1CCC[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC001460240126 1067588677 /nfs/dbraw/zinc/58/86/77/1067588677.db2.gz WXDUZUQGCDQYPA-GOSISDBHSA-N 1 0 457.206 4.818 20 0 JJADRO Cc1sc(NC(=O)CN2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1-c1ccc(Cl)cc1 ZINC001460240646 1067589227 /nfs/dbraw/zinc/58/92/27/1067589227.db2.gz MPBFMVJQZRGQOI-KRWDZBQOSA-N 1 0 455.027 4.917 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3)n2CC2(SC)CC[NH+](C)CC2)CCS1 ZINC001546115044 1067590741 /nfs/dbraw/zinc/59/07/41/1067590741.db2.gz PQINLHPNBRUIOZ-UHFFFAOYSA-N 1 0 489.755 4.893 20 0 JJADRO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC001460270126 1067594577 /nfs/dbraw/zinc/59/45/77/1067594577.db2.gz IDPYCDPFSIRHTB-UHFFFAOYSA-N 1 0 457.640 4.645 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1c1ccc(F)cc1F ZINC001460277606 1067596072 /nfs/dbraw/zinc/59/60/72/1067596072.db2.gz NBSDYGXQAPEGQM-RBUKOAKNSA-N 1 0 461.306 4.664 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)CCS1 ZINC001546115207 1067596124 /nfs/dbraw/zinc/59/61/24/1067596124.db2.gz WEURVINRYXIJIV-UHFFFAOYSA-N 1 0 478.504 4.915 20 0 JJADRO C[C@H]1CC2(C[N@@H+]1C[C@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279164 1067596683 /nfs/dbraw/zinc/59/66/83/1067596683.db2.gz YCQSPBDXJZFBDT-LPHOPBHVSA-N 1 0 453.421 4.594 20 0 JJADRO C[C@H]1CC2(C[N@@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279595 1067597139 /nfs/dbraw/zinc/59/71/39/1067597139.db2.gz ZUCBDFQYRLMBMU-PMACEKPBSA-N 1 0 451.652 4.745 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001546115265 1067598815 /nfs/dbraw/zinc/59/88/15/1067598815.db2.gz YGWVDOGZDFSXJG-OAQYLSRUSA-N 1 0 478.106 4.557 20 0 JJADRO O=C(C[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1)NCc1ccc(F)cc1 ZINC001460302266 1067602294 /nfs/dbraw/zinc/60/22/94/1067602294.db2.gz PIRVXPIQWOHYLL-HSZRJFAPSA-N 1 0 459.565 4.997 20 0 JJADRO CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001460319877 1067607222 /nfs/dbraw/zinc/60/72/22/1067607222.db2.gz ZCKIHPIXFVLNNW-DXBBTUNJSA-N 1 0 453.023 4.954 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC001460327156 1067609509 /nfs/dbraw/zinc/60/95/09/1067609509.db2.gz UKXXGIUDXWICOS-UFUIAINPSA-N 1 0 479.640 4.788 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460340483 1067611951 /nfs/dbraw/zinc/61/19/51/1067611951.db2.gz TWHVFCUCLUAEJP-WMZHIEFXSA-N 1 0 455.599 4.725 20 0 JJADRO CC(C)COc1ncccc1C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460350578 1067614439 /nfs/dbraw/zinc/61/44/39/1067614439.db2.gz RNTXXIXYNVZKAS-VWLOTQADSA-N 1 0 458.606 4.818 20 0 JJADRO CCOc1ccccc1OCC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460350477 1067614479 /nfs/dbraw/zinc/61/44/79/1067614479.db2.gz QWXKTGCHGRAJQU-RUZDIDTESA-N 1 0 459.590 4.553 20 0 JJADRO O=C(c1ccc(Br)o1)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460353462 1067615401 /nfs/dbraw/zinc/61/54/01/1067615401.db2.gz ZITJZTQWJYOHBR-HXUWFJFHSA-N 1 0 454.368 4.744 20 0 JJADRO O=C(CN1CCCC[C@@H]1Cc1ccccc1F)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356175 1067616428 /nfs/dbraw/zinc/61/64/28/1067616428.db2.gz KTEIWQAZNQGKCR-BWKNWUBXSA-N 1 0 458.021 4.829 20 0 JJADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001460356997 1067616847 /nfs/dbraw/zinc/61/68/47/1067616847.db2.gz UDNUPTBCAZMSTH-RXVVDRJESA-N 1 0 455.624 4.535 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360595 1067617929 /nfs/dbraw/zinc/61/79/29/1067617929.db2.gz CWMKWJSCJYESRH-DBXWQHBBSA-N 1 0 459.562 4.765 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362390 1067618421 /nfs/dbraw/zinc/61/84/21/1067618421.db2.gz OWSONFACWFNPFA-JWQCQUIFSA-N 1 0 452.645 4.805 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](CCc1cc(Cl)c3c(c1)OCCCO3)C2 ZINC001460364049 1067619133 /nfs/dbraw/zinc/61/91/33/1067619133.db2.gz SVSXDUTVUGFJLF-UUOWRZLLSA-N 1 0 451.007 4.671 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@H](O)c2c(F)cccc2F)cc1 ZINC001460392100 1067624979 /nfs/dbraw/zinc/62/49/79/1067624979.db2.gz REIDTTDLWDXHTM-VJBMBRPKSA-N 1 0 476.564 4.780 20 0 JJADRO Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC001460392956 1067625225 /nfs/dbraw/zinc/62/52/25/1067625225.db2.gz UUOPTTRDKFYICC-TZRRMPRUSA-N 1 0 467.585 4.622 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC001460393754 1067625686 /nfs/dbraw/zinc/62/56/86/1067625686.db2.gz XAYXTXLITRJAKI-DNVJHFABSA-N 1 0 462.993 4.765 20 0 JJADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001460402826 1067627272 /nfs/dbraw/zinc/62/72/72/1067627272.db2.gz CAOYVGNETJSKKR-FGZHOGPDSA-N 1 0 455.574 4.764 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC001460401315 1067627321 /nfs/dbraw/zinc/62/73/21/1067627321.db2.gz BSOKHWOVBVTMJJ-FTBPSBKWSA-N 1 0 463.622 4.532 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCS1 ZINC001546116071 1067629189 /nfs/dbraw/zinc/62/91/89/1067629189.db2.gz GKNVPBMJMSKCLR-QFIPXVFZSA-N 1 0 468.646 4.894 20 0 JJADRO O=C(C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCCOC1)NCC1(c2ccc(F)cc2)CCCC1 ZINC001460411604 1067629659 /nfs/dbraw/zinc/62/96/59/1067629659.db2.gz RDPQCJMYNVKJGJ-SANMLTNESA-N 1 0 459.005 4.789 20 0 JJADRO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC001460458059 1067638097 /nfs/dbraw/zinc/63/80/97/1067638097.db2.gz MQKHPZYKEYFKLE-RUZDIDTESA-N 1 0 458.624 4.760 20 0 JJADRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 ZINC001460484541 1067643629 /nfs/dbraw/zinc/64/36/29/1067643629.db2.gz GCXLUSOZFJZLMB-SFTDATJTSA-N 1 0 453.631 4.716 20 0 JJADRO COC1(c2noc(CC3CC[NH+](Cc4cccc(SC(=O)N(C)C)c4)CC3)n2)CCCC1 ZINC001460487871 1067644161 /nfs/dbraw/zinc/64/41/61/1067644161.db2.gz XPAQTNSKWAGPOW-UHFFFAOYSA-N 1 0 458.628 4.714 20 0 JJADRO COc1ccc(N=c2scc(C[N@@H+]3CC[C@H](C)[C@H](CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001460501941 1067645635 /nfs/dbraw/zinc/64/56/35/1067645635.db2.gz FCOXTJAQTFUPRP-VWPQPMDRSA-N 1 0 451.636 4.850 20 0 JJADRO C[C@@H](c1ccccc1Br)[NH+]1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC001460533815 1067652581 /nfs/dbraw/zinc/65/25/81/1067652581.db2.gz FWSCOZNXTRVHBR-AWEZNQCLSA-N 1 0 456.306 4.965 20 0 JJADRO CC1(C)[C@H]2[C@H](CCC[N@@H+]2C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@@H]1O ZINC001460620909 1067675313 /nfs/dbraw/zinc/67/53/13/1067675313.db2.gz WBCUOVJJUIWWJW-ZQRMPTRQSA-N 1 0 464.433 4.942 20 0 JJADRO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001460627938 1067677371 /nfs/dbraw/zinc/67/73/71/1067677371.db2.gz WRQOULVJYQWPTJ-FQEVSTJZSA-N 1 0 458.883 4.702 20 0 JJADRO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C[C@H](C)CC2 ZINC001460627209 1067677463 /nfs/dbraw/zinc/67/74/63/1067677463.db2.gz RDFBNDRLWDGZJQ-ZXNZOMRRSA-N 1 0 480.989 4.510 20 0 JJADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460632265 1067678949 /nfs/dbraw/zinc/67/89/49/1067678949.db2.gz UVAZTNCVFYPVTB-UHFFFAOYSA-N 1 0 453.384 4.545 20 0 JJADRO Cc1cc(NC(=O)CN2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)ccc1Br ZINC001460644465 1067684069 /nfs/dbraw/zinc/68/40/69/1067684069.db2.gz TXRNRXVBOALNHW-ZEQRLZLVSA-N 1 0 456.428 4.540 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647539 1067685353 /nfs/dbraw/zinc/68/53/53/1067685353.db2.gz ACEYUVUWDQNDRO-ZEQKJWHPSA-N 1 0 458.549 4.743 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3cc(=O)oc4cc(C)ccc34)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460651513 1067687181 /nfs/dbraw/zinc/68/71/81/1067687181.db2.gz NDHHPSMOKVPHTH-XZOQPEGZSA-N 1 0 464.562 4.603 20 0 JJADRO CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCS1 ZINC001546117993 1067689902 /nfs/dbraw/zinc/68/99/02/1067689902.db2.gz UQRQDZZOWWERAL-LGVFNWMJSA-N 1 0 463.736 4.795 20 0 JJADRO CCOc1ccc(-c2nc(C(=O)Nc3cccc(NC(=O)C[NH+](CC)CC)c3)cs2)cc1 ZINC001460657490 1067690724 /nfs/dbraw/zinc/69/07/24/1067690724.db2.gz ZRVZTCBLOGYDAR-UHFFFAOYSA-N 1 0 452.580 4.741 20 0 JJADRO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001460659420 1067691384 /nfs/dbraw/zinc/69/13/84/1067691384.db2.gz HQPXIRFDOREJIS-ATIYNZHBSA-N 1 0 451.588 4.623 20 0 JJADRO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001460659426 1067691507 /nfs/dbraw/zinc/69/15/07/1067691507.db2.gz HQPXIRFDOREJIS-NVQXNPDNSA-N 1 0 451.588 4.623 20 0 JJADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001460671831 1067695003 /nfs/dbraw/zinc/69/50/03/1067695003.db2.gz SOJKHUPJXPAZQJ-GGAORHGYSA-N 1 0 456.428 4.689 20 0 JJADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001460707555 1067705887 /nfs/dbraw/zinc/70/58/87/1067705887.db2.gz IRWGYEPSOFDXKP-KRWDZBQOSA-N 1 0 458.466 4.549 20 0 JJADRO CCOC(=O)c1sc([C@H]2CC[N@H+](CC3(COc4cccc(COC)c4)CCC3)C2)nc1C ZINC001460717452 1067708457 /nfs/dbraw/zinc/70/84/57/1067708457.db2.gz KOBFEHIVDLKFMN-FQEVSTJZSA-N 1 0 458.624 4.813 20 0 JJADRO COc1cccc([C@@H]2CC[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460720014 1067708823 /nfs/dbraw/zinc/70/88/23/1067708823.db2.gz QBRIRUFLIXLMLJ-XZOQPEGZSA-N 1 0 452.595 4.644 20 0 JJADRO COc1cccc([C@H]2CC[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460719997 1067708845 /nfs/dbraw/zinc/70/88/45/1067708845.db2.gz QBRIRUFLIXLMLJ-DHIUTWEWSA-N 1 0 452.595 4.644 20 0 JJADRO CN(C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H](c1ccccc1)c1ccccc1Br ZINC001460732391 1067711692 /nfs/dbraw/zinc/71/16/92/1067711692.db2.gz RYRNJHUNXVBZGH-RCZVLFRGSA-N 1 0 453.424 4.963 20 0 JJADRO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)CCCC2 ZINC001460747961 1067714841 /nfs/dbraw/zinc/71/48/41/1067714841.db2.gz XIJMHYMYDSAOFI-LBPRGKRZSA-N 1 0 456.486 4.601 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c(OC)c1 ZINC001460747919 1067715177 /nfs/dbraw/zinc/71/51/77/1067715177.db2.gz XFJPOJDNELCXQP-QRWLVFNGSA-N 1 0 452.473 4.617 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC001460751840 1067716128 /nfs/dbraw/zinc/71/61/28/1067716128.db2.gz RCGKFXVNWYLYBY-ACIOBRDBSA-N 1 0 450.664 4.900 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC001460754108 1067716903 /nfs/dbraw/zinc/71/69/03/1067716903.db2.gz LBBFFODTNQLULE-UHFFFAOYSA-N 1 0 457.537 4.981 20 0 JJADRO Cc1ccc(CN(C(=O)C[N@@H+]2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C2CC2)cc1 ZINC001460778272 1067721395 /nfs/dbraw/zinc/72/13/95/1067721395.db2.gz NYGCPOMJNXSUEA-MHZLTWQESA-N 1 0 455.643 4.599 20 0 JJADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C(=O)Nc1ccc(Br)cc1Br ZINC001460789670 1067723958 /nfs/dbraw/zinc/72/39/58/1067723958.db2.gz CWLNMHPIXXAAOD-MGPLVRAMSA-N 1 0 456.153 4.955 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC001460808728 1067727843 /nfs/dbraw/zinc/72/78/43/1067727843.db2.gz HJBNCQOGOAPOMF-INIZCTEOSA-N 1 0 453.489 4.905 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@@]2(C)CCOc3ccccc32)cc1 ZINC001460826324 1067730256 /nfs/dbraw/zinc/73/02/56/1067730256.db2.gz ZBZFROHQFWHRHS-MHZLTWQESA-N 1 0 459.546 4.564 20 0 JJADRO CN(C(=O)Cn1c2ccccc2nc1Cc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001460855514 1067735207 /nfs/dbraw/zinc/73/52/07/1067735207.db2.gz NOCSRVWMGOKXHH-UHFFFAOYSA-N 1 0 458.528 4.502 20 0 JJADRO CN(C(=O)CSCc1ccc(Br)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001460855892 1067735525 /nfs/dbraw/zinc/73/55/25/1067735525.db2.gz QDXPSKUDMXKFFZ-UHFFFAOYSA-N 1 0 453.368 4.558 20 0 JJADRO CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC001460860211 1067736066 /nfs/dbraw/zinc/73/60/66/1067736066.db2.gz QQCCJODBCMZHJQ-IBGZPJMESA-N 1 0 455.437 4.745 20 0 JJADRO CCOC(=O)C1(C(F)(F)F)CC[NH+](CCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001460860352 1067736347 /nfs/dbraw/zinc/73/63/47/1067736347.db2.gz NTFLFSBKSJTZPV-UHFFFAOYSA-N 1 0 450.542 4.621 20 0 JJADRO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[N@@H+](Cc1ccccc1)C[C@@H](CC(C)C)OC ZINC001460862743 1067736709 /nfs/dbraw/zinc/73/67/09/1067736709.db2.gz ICKVYCHNBGEPJR-SMIHKQSGSA-N 1 0 476.658 4.738 20 0 JJADRO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001460871510 1067739562 /nfs/dbraw/zinc/73/95/62/1067739562.db2.gz PEXXLDXAUULOTN-AOMKIAJQSA-N 1 0 458.521 4.596 20 0 JJADRO C[C@@]1(NCC(=O)NCc2ccc(OC(F)F)cc2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460873953 1067740164 /nfs/dbraw/zinc/74/01/64/1067740164.db2.gz PBEFMPVRBUGVJT-LBNVMWSVSA-N 1 0 479.571 4.552 20 0 JJADRO C[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460879807 1067741338 /nfs/dbraw/zinc/74/13/38/1067741338.db2.gz BWWDJHVXLDCOIP-MEKIYTOJSA-N 1 0 472.029 4.638 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCS1 ZINC001546119838 1067741671 /nfs/dbraw/zinc/74/16/71/1067741671.db2.gz SCIXAYNUGUQZPJ-NRFANRHFSA-N 1 0 470.731 4.886 20 0 JJADRO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC001460930762 1067749933 /nfs/dbraw/zinc/74/99/33/1067749933.db2.gz BQQDOSIBUXXPQK-IBGZPJMESA-N 1 0 451.592 4.518 20 0 JJADRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@@H]1C ZINC001460936889 1067750922 /nfs/dbraw/zinc/75/09/22/1067750922.db2.gz HTWIYIBXTSPYQT-MTVYNVTBSA-N 1 0 454.636 4.520 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001460948330 1067752282 /nfs/dbraw/zinc/75/22/82/1067752282.db2.gz NFUARTIUZCWJPO-NBGIEHNGSA-N 1 0 451.652 4.889 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001460972646 1067755242 /nfs/dbraw/zinc/75/52/42/1067755242.db2.gz WNWWVMGGSUPQQV-NFBKMPQASA-N 1 0 476.539 4.660 20 0 JJADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C)C(=O)N1CCSc2ccccc21 ZINC001460983199 1067756980 /nfs/dbraw/zinc/75/69/80/1067756980.db2.gz UVCCHNOPSXPWJO-ZCLUNYJNSA-N 1 0 459.656 4.528 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc3ccccc32)CC1 ZINC001460986574 1067757646 /nfs/dbraw/zinc/75/76/46/1067757646.db2.gz PHFHXKREEPHMBB-QFIPXVFZSA-N 1 0 458.002 4.537 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001460994897 1067759208 /nfs/dbraw/zinc/75/92/08/1067759208.db2.gz IQGRPKOERFHYCO-DEOSSOPVSA-N 1 0 452.574 4.559 20 0 JJADRO Fc1ccc([C@H](C[NH2+]Cc2ccccc2OCc2ccc(F)cc2F)N2CCOCC2)cc1 ZINC001460996173 1067759691 /nfs/dbraw/zinc/75/96/91/1067759691.db2.gz SCNVVHPGBZRAQW-VWLOTQADSA-N 1 0 456.508 4.846 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[N@H+](C)C2CC2)CCS1 ZINC001546120981 1067766345 /nfs/dbraw/zinc/76/63/45/1067766345.db2.gz GPLNVXAJFSFJBU-HXUWFJFHSA-N 1 0 457.688 4.760 20 0 JJADRO COc1cc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)ccc1OCc1c(C)noc1C ZINC001461049272 1067769536 /nfs/dbraw/zinc/76/95/36/1067769536.db2.gz URZXFDQXSZDKOJ-UHFFFAOYSA-N 1 0 451.445 4.505 20 0 JJADRO Cc1ccc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC001461050939 1067769796 /nfs/dbraw/zinc/76/97/96/1067769796.db2.gz OBRHJTOFXCTDIX-MHECFPHRSA-N 1 0 456.993 4.740 20 0 JJADRO C[C@@H]1CN([C@H](C[NH2+]Cc2cc(Br)ccc2F)c2c(F)cccc2Cl)CCO1 ZINC001461053120 1067770591 /nfs/dbraw/zinc/77/05/91/1067770591.db2.gz ZZLPVJWPJTYUTJ-BFUOFWGJSA-N 1 0 459.762 4.932 20 0 JJADRO COc1cc(C[NH2+][C@H](C)CN2CCOCC2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461053451 1067771064 /nfs/dbraw/zinc/77/10/64/1067771064.db2.gz NWMJHOVZRHUFDL-JOCHJYFZSA-N 1 0 454.655 4.999 20 0 JJADRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001461054189 1067771080 /nfs/dbraw/zinc/77/10/80/1067771080.db2.gz DGKDSHSCJRZAGB-QGZVFWFLSA-N 1 0 457.640 4.859 20 0 JJADRO O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001461055378 1067771449 /nfs/dbraw/zinc/77/14/49/1067771449.db2.gz VITQGARYVACAKD-BEFAXECRSA-N 1 0 464.201 4.558 20 0 JJADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3cc4nc(Cl)ccc4s3)cc2)C1 ZINC001461061914 1067773165 /nfs/dbraw/zinc/77/31/65/1067773165.db2.gz IUNUOVGSKCKEDF-OAHLLOKOSA-N 1 0 450.029 4.660 20 0 JJADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)/C=C\c1ccc2ccccc2n1 ZINC001461062999 1067773447 /nfs/dbraw/zinc/77/34/47/1067773447.db2.gz HFDOASGVVJWDBT-QBFSEMIESA-N 1 0 453.384 4.647 20 0 JJADRO CC(C)c1nc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)nn1-c1ccccc1Cl ZINC001461063924 1067773833 /nfs/dbraw/zinc/77/38/33/1067773833.db2.gz SHDSZMWMEXYIOV-UHFFFAOYSA-N 1 0 459.019 4.910 20 0 JJADRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(F)c(Br)c1)NC(=O)OC(C)(C)C ZINC001461064733 1067774211 /nfs/dbraw/zinc/77/42/11/1067774211.db2.gz PZONSHSXCRWJFY-SFHVURJKSA-N 1 0 453.352 4.952 20 0 JJADRO Cc1cccc(CSCC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)c1 ZINC001461066105 1067774563 /nfs/dbraw/zinc/77/45/63/1067774563.db2.gz UXBPZRIYPMGQHM-UHFFFAOYSA-N 1 0 450.446 4.627 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C2CC2)[NH+](C)C)CCS1 ZINC001546121299 1067775383 /nfs/dbraw/zinc/77/53/83/1067775383.db2.gz RXLSNJJNACQTKI-HSZRJFAPSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1ccc([C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)N2CCOCC2)cc1 ZINC001461083833 1067778286 /nfs/dbraw/zinc/77/82/86/1067778286.db2.gz BFTFJNBKDJPTMY-HXUWFJFHSA-N 1 0 457.334 4.939 20 0 JJADRO CO[C@](C)(C(=O)Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1)C(=O)OC(C)(C)C ZINC001461084214 1067778301 /nfs/dbraw/zinc/77/83/01/1067778301.db2.gz ZVSCRZMLWVIVNC-HHHXNRCGSA-N 1 0 452.595 4.752 20 0 JJADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(Br)c(Cl)c3)cc2)C[C@H](C)O1 ZINC001461093414 1067780737 /nfs/dbraw/zinc/78/07/37/1067780737.db2.gz RLURKVMCIOVMLI-GJZGRUSLSA-N 1 0 451.792 4.642 20 0 JJADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001461093799 1067780976 /nfs/dbraw/zinc/78/09/76/1067780976.db2.gz GFLZJQQGKZPWPQ-CQSZACIVSA-N 1 0 457.338 4.545 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001461114571 1067784168 /nfs/dbraw/zinc/78/41/68/1067784168.db2.gz ZKEKKFVOQJTLAW-UHFFFAOYSA-N 1 0 456.384 4.782 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]C[C@@H](O)c3ccccc3C(F)(F)F)cc2C1 ZINC001461119321 1067784817 /nfs/dbraw/zinc/78/48/17/1067784817.db2.gz FJCUWTADUWEKCR-GOSISDBHSA-N 1 0 456.530 4.883 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC001461123137 1067785601 /nfs/dbraw/zinc/78/56/01/1067785601.db2.gz YFTDETMBRPLDNW-LJQANCHMSA-N 1 0 454.290 4.785 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]CCc3coc(-c4ccccc4)n3)o2)C1 ZINC001461126993 1067786294 /nfs/dbraw/zinc/78/62/94/1067786294.db2.gz BBMPHBUVWIASBM-FQEVSTJZSA-N 1 0 451.567 4.825 20 0 JJADRO Cn1cc(C[NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)c(-c2cc(F)ccc2F)n1 ZINC001461127703 1067786775 /nfs/dbraw/zinc/78/67/75/1067786775.db2.gz CRPFFIADIPTJNP-UHFFFAOYSA-N 1 0 456.537 4.722 20 0 JJADRO COc1cc(Br)c(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)cc1OC ZINC001461135631 1067787516 /nfs/dbraw/zinc/78/75/16/1067787516.db2.gz BJEIIIOISAYZDP-UHFFFAOYSA-N 1 0 457.409 4.784 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)c3ccc4ccccc4c3)o2)C1 ZINC001461148669 1067789487 /nfs/dbraw/zinc/78/94/87/1067789487.db2.gz WYQQKQAEYRYBIN-UPVQGACJSA-N 1 0 450.579 4.814 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+]CCNC(=O)c1cccs1 ZINC001461166850 1067791741 /nfs/dbraw/zinc/79/17/41/1067791741.db2.gz OGDNLFSVKDHDMW-UHFFFAOYSA-N 1 0 457.814 4.781 20 0 JJADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)C1 ZINC001461181807 1067794340 /nfs/dbraw/zinc/79/43/40/1067794340.db2.gz QBBZSEADYQRQSJ-QGZVFWFLSA-N 1 0 457.908 4.878 20 0 JJADRO COC(=O)c1cc(C[NH2+][C@@H](c2ccccc2)c2ccc(OC)c(Br)c2)n(C)c1C ZINC001461190081 1067796130 /nfs/dbraw/zinc/79/61/30/1067796130.db2.gz NTDGKTLJDUWBIC-QFIPXVFZSA-N 1 0 457.368 4.770 20 0 JJADRO COc1ccc(C(=O)N2CCC([NH2+]Cc3cc4cccc(C)c4nc3Cl)CC2)cc1OC ZINC001461192266 1067796419 /nfs/dbraw/zinc/79/64/19/1067796419.db2.gz QKEAVZLQPJODCU-UHFFFAOYSA-N 1 0 453.970 4.608 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C1CCCCC1 ZINC001461194333 1067796774 /nfs/dbraw/zinc/79/67/74/1067796774.db2.gz GCRBKQBMHOPBSJ-HSZRJFAPSA-N 1 0 455.599 4.935 20 0 JJADRO CCOc1cc(C[NH2+]Cc2ccc(C3OCCO3)cc2)cc(Br)c1OC(F)F ZINC001461202187 1067798726 /nfs/dbraw/zinc/79/87/26/1067798726.db2.gz KTNCKBFDPDVIIL-UHFFFAOYSA-N 1 0 458.299 4.784 20 0 JJADRO O=C1[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCCN1c1ccc(OC(F)F)cc1 ZINC001461209110 1067799704 /nfs/dbraw/zinc/79/97/04/1067799704.db2.gz KEDRUNUPQFJCIA-QHCPKHFHSA-N 1 0 453.489 4.547 20 0 JJADRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)c2)cc1 ZINC001461209028 1067799784 /nfs/dbraw/zinc/79/97/84/1067799784.db2.gz PGDFXCATZAGUNW-IFMALSPDSA-N 1 0 451.592 4.707 20 0 JJADRO COc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(OC)c1OCc1ccccc1 ZINC001461213691 1067800139 /nfs/dbraw/zinc/80/01/39/1067800139.db2.gz ATKMLWDRTUVWKI-NRFANRHFSA-N 1 0 456.583 4.772 20 0 JJADRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(I)c(OC)c(OC)c2)C12CCCCC2 ZINC001461215014 1067800594 /nfs/dbraw/zinc/80/05/94/1067800594.db2.gz OENQWZQNMVSRBN-MSOLQXFVSA-N 1 0 459.368 4.526 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC001461217410 1067801539 /nfs/dbraw/zinc/80/15/39/1067801539.db2.gz DXNAWNWCYIZGPX-UHFFFAOYSA-N 1 0 457.405 4.959 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC001461216903 1067801677 /nfs/dbraw/zinc/80/16/77/1067801677.db2.gz LPDNGWPJUDDDER-FPOVZHCZSA-N 1 0 450.558 4.849 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cc(Br)sc1Br)C1CC1 ZINC001461237217 1067806913 /nfs/dbraw/zinc/80/69/13/1067806913.db2.gz XAEADWOKWURFHL-NSHDSACASA-N 1 0 454.228 4.666 20 0 JJADRO CCOc1cc(C[NH2+][C@H](c2ccc(F)cc2F)C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC001461257615 1067812108 /nfs/dbraw/zinc/81/21/08/1067812108.db2.gz ZMSPNHOLGLEMOU-SANMLTNESA-N 1 0 458.549 4.996 20 0 JJADRO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@H](O)c1c(F)cccc1F ZINC001461258091 1067812384 /nfs/dbraw/zinc/81/23/84/1067812384.db2.gz PLBSMQUBWXDDJA-NQIIRXRSSA-N 1 0 450.327 4.823 20 0 JJADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001461260763 1067812829 /nfs/dbraw/zinc/81/28/29/1067812829.db2.gz JGYXPMCRQDOBOZ-UTKZUKDTSA-N 1 0 452.039 4.655 20 0 JJADRO O=C(OCc1ccccc1)c1cc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c[nH]1 ZINC001461262522 1067813490 /nfs/dbraw/zinc/81/34/90/1067813490.db2.gz MBQSQQQONVXHQP-NRFANRHFSA-N 1 0 452.860 4.565 20 0 JJADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001461266585 1067813999 /nfs/dbraw/zinc/81/39/99/1067813999.db2.gz ZEFSUHJDKKQIMP-WZONZLPQSA-N 1 0 450.583 4.876 20 0 JJADRO CCNC(=O)COc1cccc(C[NH2+]Cc2ccc(-c3ccccc3Br)cc2)c1 ZINC001461265844 1067814157 /nfs/dbraw/zinc/81/41/57/1067814157.db2.gz PCXZVFXDSTWFSA-UHFFFAOYSA-N 1 0 453.380 4.921 20 0 JJADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001461266582 1067814197 /nfs/dbraw/zinc/81/41/97/1067814197.db2.gz ZEFSUHJDKKQIMP-MBSDFSHPSA-N 1 0 450.583 4.876 20 0 JJADRO Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272368 1067815564 /nfs/dbraw/zinc/81/55/64/1067815564.db2.gz MKEATNJPWMTPER-WNJJXGMVSA-N 1 0 455.602 4.637 20 0 JJADRO CCc1cc(N2CCC([NH2+]Cc3c(Cl)n(Cc4ccccc4)nc3C(C)C)CC2)ncn1 ZINC001461275373 1067816164 /nfs/dbraw/zinc/81/61/64/1067816164.db2.gz LYJFPJADEQOIGU-UHFFFAOYSA-N 1 0 453.034 4.819 20 0 JJADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001461282019 1067817649 /nfs/dbraw/zinc/81/76/49/1067817649.db2.gz BDDDNRMHJRHLFB-AWEZNQCLSA-N 1 0 456.509 4.545 20 0 JJADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001461282020 1067817671 /nfs/dbraw/zinc/81/76/71/1067817671.db2.gz BDDDNRMHJRHLFB-CQSZACIVSA-N 1 0 456.509 4.545 20 0 JJADRO CCOCCOc1cc(C)ccc1C[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001461287651 1067818417 /nfs/dbraw/zinc/81/84/17/1067818417.db2.gz OWBRYTQXSJGTOW-UHFFFAOYSA-N 1 0 454.611 4.993 20 0 JJADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC001461287534 1067818542 /nfs/dbraw/zinc/81/85/42/1067818542.db2.gz XUEGLHQNHCZATM-UHFFFAOYSA-N 1 0 452.046 4.735 20 0 JJADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](C[C@H](C)O)c2ccccc2)CC1 ZINC001461302538 1067822591 /nfs/dbraw/zinc/82/25/91/1067822591.db2.gz FSNKIXWGHOSIGJ-ICSRJNTNSA-N 1 0 459.428 4.506 20 0 JJADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)CC1 ZINC001461302548 1067823280 /nfs/dbraw/zinc/82/32/80/1067823280.db2.gz FSNKIXWGHOSIGJ-UYAOXDASSA-N 1 0 459.428 4.506 20 0 JJADRO OC[C@@H](C[NH2+]Cc1ccc(Br)c2cccnc12)Cc1ccc(C(F)(F)F)cc1 ZINC001461312530 1067825596 /nfs/dbraw/zinc/82/55/96/1067825596.db2.gz JUOPMDSTQSZJJJ-OAHLLOKOSA-N 1 0 453.302 4.957 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cn1 ZINC001461317003 1067826601 /nfs/dbraw/zinc/82/66/01/1067826601.db2.gz WQGDVXLCUUHXSC-UHFFFAOYSA-N 1 0 453.587 4.855 20 0 JJADRO COc1cc(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461316817 1067826933 /nfs/dbraw/zinc/82/69/33/1067826933.db2.gz JZYXWMMOVOBVPB-JIPXPUAJSA-N 1 0 454.655 4.997 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NCc3cccc(Br)c3OC(F)F)nc2)CC1 ZINC001461324629 1067827945 /nfs/dbraw/zinc/82/79/45/1067827945.db2.gz SSFXZKIPMLITER-UHFFFAOYSA-N 1 0 455.347 4.588 20 0 JJADRO FC(F)(F)c1cccnc1OCC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC001461354351 1067836756 /nfs/dbraw/zinc/83/67/56/1067836756.db2.gz ZHJUREVWTHTJOU-UHFFFAOYSA-N 1 0 454.084 4.794 20 0 JJADRO Cc1ccc(Cl)cc1Oc1ccccc1C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC001461356992 1067837296 /nfs/dbraw/zinc/83/72/96/1067837296.db2.gz LWQACFNGFPDVIV-UHFFFAOYSA-N 1 0 451.013 4.913 20 0 JJADRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3c(Cl)n(-c4ccccc4)nc3C(C)(C)C)nc2)C1 ZINC001461357454 1067837770 /nfs/dbraw/zinc/83/77/70/1067837770.db2.gz SCKOEYZRNWPCTP-FQEVSTJZSA-N 1 0 453.034 4.971 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC001461360089 1067838581 /nfs/dbraw/zinc/83/85/81/1067838581.db2.gz UYNJKKIKYBGCQL-FQEVSTJZSA-N 1 0 459.425 4.694 20 0 JJADRO Brc1cc(Br)c(OCc2ccccc2)c(C[NH2+]CCN2CCC2)c1 ZINC001461373162 1067840548 /nfs/dbraw/zinc/84/05/48/1067840548.db2.gz DVNRKNGYNHFSQW-UHFFFAOYSA-N 1 0 454.206 4.586 20 0 JJADRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(Br)sc2Br)CCC1 ZINC001461382399 1067843182 /nfs/dbraw/zinc/84/31/82/1067843182.db2.gz WKZLIFSCYRLNKF-UHFFFAOYSA-N 1 0 454.228 4.810 20 0 JJADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC001461382639 1067843415 /nfs/dbraw/zinc/84/34/15/1067843415.db2.gz MZMDMAPJCNXMMI-KZULUSFZSA-N 1 0 453.178 4.725 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001461394669 1067845534 /nfs/dbraw/zinc/84/55/34/1067845534.db2.gz VEICCJONFZYWOE-NFBKMPQASA-N 1 0 451.485 4.721 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001461403020 1067847302 /nfs/dbraw/zinc/84/73/02/1067847302.db2.gz PWFCBHKNSBIHLV-HXUWFJFHSA-N 1 0 452.755 4.867 20 0 JJADRO FC(F)(F)c1cc(Br)ccc1OCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC001461405600 1067847505 /nfs/dbraw/zinc/84/75/05/1067847505.db2.gz PSKZHOUOJHHOMF-UHFFFAOYSA-N 1 0 454.290 4.881 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001461411173 1067849028 /nfs/dbraw/zinc/84/90/28/1067849028.db2.gz HLJLUUFKTCTURR-LJQANCHMSA-N 1 0 457.405 4.685 20 0 JJADRO CC(C)(C)OC(=O)NC1CCC([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001461412601 1067849458 /nfs/dbraw/zinc/84/94/58/1067849458.db2.gz DLUUJUWJXWHAMV-UHFFFAOYSA-N 1 0 451.917 4.948 20 0 JJADRO CCOc1c(Br)cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)cc1Br ZINC001461435140 1067855943 /nfs/dbraw/zinc/85/59/43/1067855943.db2.gz WHICQLJLNVPJPV-INIZCTEOSA-N 1 0 457.206 4.612 20 0 JJADRO O=C1[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCN1Cc1ccc(F)cc1F ZINC001461436953 1067856307 /nfs/dbraw/zinc/85/63/07/1067856307.db2.gz RVIHYEYXJHVDKJ-HXUWFJFHSA-N 1 0 453.316 4.828 20 0 JJADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461435677 1067856318 /nfs/dbraw/zinc/85/63/18/1067856318.db2.gz KNXQAGYNUYZBQD-YPMHNXCESA-N 1 0 455.315 4.954 20 0 JJADRO COc1cc(C[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc2c1OCCO2 ZINC001461444058 1067858080 /nfs/dbraw/zinc/85/80/80/1067858080.db2.gz LZLAQALXIUTVHS-FQEVSTJZSA-N 1 0 455.352 4.698 20 0 JJADRO COc1cc(Br)c(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c(OC)c1 ZINC001461445891 1067858491 /nfs/dbraw/zinc/85/84/91/1067858491.db2.gz WOEYJBYWNQKTCL-CYBMUJFWSA-N 1 0 459.306 4.854 20 0 JJADRO CCOc1cc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc(Br)c1OC ZINC001461446680 1067858576 /nfs/dbraw/zinc/85/85/76/1067858576.db2.gz FRNSSXUDQODKKD-UHFFFAOYSA-N 1 0 455.393 4.513 20 0 JJADRO Cn1cc(CC[NH2+]Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)c2ccc(F)cc21 ZINC001461453149 1067860286 /nfs/dbraw/zinc/86/02/86/1067860286.db2.gz KVVMVSRDJNBFMI-IBGZPJMESA-N 1 0 455.574 4.801 20 0 JJADRO Fc1ccc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)c(I)c1 ZINC001461456642 1067861323 /nfs/dbraw/zinc/86/13/23/1067861323.db2.gz NBBILBHACWXIIE-UHFFFAOYSA-N 1 0 453.217 4.704 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2OC)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461461371 1067862792 /nfs/dbraw/zinc/86/27/92/1067862792.db2.gz RMLWVVCNHMHCEG-PMACEKPBSA-N 1 0 450.938 4.552 20 0 JJADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001461464242 1067863258 /nfs/dbraw/zinc/86/32/58/1067863258.db2.gz PIHIFLJPHQEMMH-BJRSVTDJSA-N 1 0 451.311 4.849 20 0 JJADRO COc1cccc(C2([NH2+]Cc3ccc(OCc4ccncc4)c(OC)c3)CCOCC2)c1F ZINC001461467935 1067864803 /nfs/dbraw/zinc/86/48/03/1067864803.db2.gz WTQCZZHWRWZDMR-UHFFFAOYSA-N 1 0 452.526 4.612 20 0 JJADRO COc1ccc(-c2ccnc(NC(=O)[C@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC001461483665 1067871601 /nfs/dbraw/zinc/87/16/01/1067871601.db2.gz IUZBEGKQWOPBTL-QHCPKHFHSA-N 1 0 456.468 4.545 20 0 JJADRO COc1ccc(-c2ccnc(NC(=O)[C@@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC001461483659 1067871713 /nfs/dbraw/zinc/87/17/13/1067871713.db2.gz IUZBEGKQWOPBTL-HSZRJFAPSA-N 1 0 456.468 4.545 20 0 JJADRO COc1cc(C[NH2+]Cc2cccc(OCC(F)(F)F)n2)ccc1OCc1c(C)noc1C ZINC001461485400 1067872301 /nfs/dbraw/zinc/87/23/01/1067872301.db2.gz KJEHUZOTFCJVFN-UHFFFAOYSA-N 1 0 451.445 4.505 20 0 JJADRO CC(C)C1CCC(C[NH2+][C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC001461486546 1067872648 /nfs/dbraw/zinc/87/26/48/1067872648.db2.gz RREDYRYUJYSAFI-QLOJAFMTSA-N 1 0 457.478 4.654 20 0 JJADRO CC[C@]1([NH2+]Cc2ccc(OCCOc3cccc(Br)c3)c(OC)c2)CCOC1 ZINC001461488890 1067873381 /nfs/dbraw/zinc/87/33/81/1067873381.db2.gz PYVJZVKZVJIMEP-QFIPXVFZSA-N 1 0 450.373 4.574 20 0 JJADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)C1=O ZINC001461496610 1067876229 /nfs/dbraw/zinc/87/62/29/1067876229.db2.gz XMIWDNDKQMCUTI-SFHVURJKSA-N 1 0 453.327 4.953 20 0 JJADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001461496847 1067876281 /nfs/dbraw/zinc/87/62/81/1067876281.db2.gz VAQRXQUSYWIMFH-INIZCTEOSA-N 1 0 451.514 4.595 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2cccc(I)c2C)CC1)CC(C)C ZINC001546124883 1067876416 /nfs/dbraw/zinc/87/64/16/1067876416.db2.gz NSBIEBGJWOJIAI-UHFFFAOYSA-N 1 0 456.412 4.820 20 0 JJADRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001461503246 1067877724 /nfs/dbraw/zinc/87/77/24/1067877724.db2.gz GMBJMLZXWHTUBL-JUVJEOJQSA-N 1 0 455.643 4.616 20 0 JJADRO O[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC001461507947 1067878665 /nfs/dbraw/zinc/87/86/65/1067878665.db2.gz SRIMHRPUVFJWDK-QGZVFWFLSA-N 1 0 456.262 4.561 20 0 JJADRO COc1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)cc(C(F)(F)F)c1 ZINC001461509872 1067878990 /nfs/dbraw/zinc/87/89/90/1067878990.db2.gz CWAMHOMQQXUNSZ-CQSZACIVSA-N 1 0 450.270 4.556 20 0 JJADRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC001461510359 1067879206 /nfs/dbraw/zinc/87/92/06/1067879206.db2.gz DZLNGWNJLQNISX-IBGZPJMESA-N 1 0 458.375 4.692 20 0 JJADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC001461512178 1067879707 /nfs/dbraw/zinc/87/97/07/1067879707.db2.gz FGSPSTGVFYXHPQ-GOSISDBHSA-N 1 0 455.649 4.529 20 0 JJADRO CCOc1cc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)ccc1OC ZINC001461529926 1067882307 /nfs/dbraw/zinc/88/23/07/1067882307.db2.gz RLDQJGFDAVRUQZ-UHFFFAOYSA-N 1 0 452.364 4.877 20 0 JJADRO COc1cccc(COc2cccc(Cl)c2C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC001461532641 1067882665 /nfs/dbraw/zinc/88/26/65/1067882665.db2.gz OFFKURDDDHMUOF-UHFFFAOYSA-N 1 0 452.016 4.621 20 0 JJADRO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc2cnn(C)c2c1 ZINC001461534270 1067883127 /nfs/dbraw/zinc/88/31/27/1067883127.db2.gz WAHKIVRBTOECNP-UHFFFAOYSA-N 1 0 453.178 4.787 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H]3CCN(c4ccccc4F)C3)o2)C1 ZINC001461537435 1067883867 /nfs/dbraw/zinc/88/38/67/1067883867.db2.gz AXZUYIKZFRKFCK-PMACEKPBSA-N 1 0 457.590 4.593 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H]3CCN(c4ccccc4F)C3)o2)C1 ZINC001461537458 1067883875 /nfs/dbraw/zinc/88/38/75/1067883875.db2.gz AXZUYIKZFRKFCK-WOJBJXKFSA-N 1 0 457.590 4.593 20 0 JJADRO Cc1ccccc1C(=O)N1CCC([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 ZINC001461540711 1067884716 /nfs/dbraw/zinc/88/47/16/1067884716.db2.gz HYIUUXXRIWYOLZ-UHFFFAOYSA-N 1 0 458.484 4.544 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1C[NH2+]C[C@H](O)C1CCC1 ZINC001461574701 1067891757 /nfs/dbraw/zinc/89/17/57/1067891757.db2.gz HQILGIWHSIMOHP-QFIPXVFZSA-N 1 0 456.384 4.986 20 0 JJADRO Cn1cc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)c(-c2ccc(F)cc2)n1 ZINC001461582731 1067893471 /nfs/dbraw/zinc/89/34/71/1067893471.db2.gz PGIRQHLCEQPMQO-UHFFFAOYSA-N 1 0 457.391 4.743 20 0 JJADRO CCOc1cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)ccc1OCc1c(Cl)cccc1Cl ZINC001461583586 1067894170 /nfs/dbraw/zinc/89/41/70/1067894170.db2.gz VMCXBQFMRDAJLO-UTKZUKDTSA-N 1 0 454.394 4.848 20 0 JJADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1OC ZINC001461589265 1067895383 /nfs/dbraw/zinc/89/53/83/1067895383.db2.gz OYTVRVQOKXCFMS-RHSMWYFYSA-N 1 0 457.409 4.734 20 0 JJADRO CC(C)(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C1(O)CCOCC1 ZINC001461589286 1067895395 /nfs/dbraw/zinc/89/53/95/1067895395.db2.gz PKUKDFVKWAXLPO-UHFFFAOYSA-N 1 0 454.014 4.909 20 0 JJADRO CNC(=O)[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1)Cc1ccc(F)cc1C ZINC001461602510 1067899535 /nfs/dbraw/zinc/89/95/35/1067899535.db2.gz VDKBPMKLWHXUGK-JOCHJYFZSA-N 1 0 450.554 4.513 20 0 JJADRO C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001461610822 1067901249 /nfs/dbraw/zinc/90/12/49/1067901249.db2.gz ZUYIHIKFBRBHPD-PCCBWWKXSA-N 1 0 453.030 4.839 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cnc([C@@H]3CCCO3)s2)cc1 ZINC001461624260 1067904172 /nfs/dbraw/zinc/90/41/72/1067904172.db2.gz GIMCJCSCKLNITP-FKBYEOEOSA-N 1 0 473.639 4.886 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccnn2CC2CCC2)cc1 ZINC001461625455 1067904442 /nfs/dbraw/zinc/90/44/42/1067904442.db2.gz JESAMZYDMVZRTG-ZEQRLZLVSA-N 1 0 454.615 4.575 20 0 JJADRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)cc1 ZINC001461643687 1067908408 /nfs/dbraw/zinc/90/84/08/1067908408.db2.gz QEZXUDJESLMGSG-IBGZPJMESA-N 1 0 458.425 4.945 20 0 JJADRO CN(CCOCC[NH2+]Cc1sc(Sc2ccccc2)nc1Cl)C(=O)OC(C)(C)C ZINC001461649629 1067909484 /nfs/dbraw/zinc/90/94/84/1067909484.db2.gz TXLRPJNANCVSQS-UHFFFAOYSA-N 1 0 458.049 4.921 20 0 JJADRO COc1cc(CC[NH2+]Cc2cnc3ccc(Cl)cn23)cc(OC)c1OCc1ccccc1 ZINC001461656197 1067911310 /nfs/dbraw/zinc/91/13/10/1067911310.db2.gz DWQMZDHWCIGRTE-UHFFFAOYSA-N 1 0 451.954 4.916 20 0 JJADRO COc1cc(Br)c(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001461665425 1067913316 /nfs/dbraw/zinc/91/33/16/1067913316.db2.gz UGFXKMIMAUMFDW-HXUWFJFHSA-N 1 0 459.428 4.858 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NCc3ncc(-c4ccccc4)s3)c2)CC1 ZINC001461666675 1067913916 /nfs/dbraw/zinc/91/39/16/1067913916.db2.gz FZQFPYMSWFCQEX-UHFFFAOYSA-N 1 0 451.596 4.874 20 0 JJADRO COc1cc(CCC[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc(OC)c1O ZINC001461668276 1067914231 /nfs/dbraw/zinc/91/42/31/1067914231.db2.gz ICCWNERDBOFPJI-UHFFFAOYSA-N 1 0 450.366 4.933 20 0 JJADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCCc2cc(OC)c(O)c(OC)c2)c1 ZINC001461669277 1067914581 /nfs/dbraw/zinc/91/45/81/1067914581.db2.gz KBWWRVWCRHSGTJ-UHFFFAOYSA-N 1 0 453.583 4.759 20 0 JJADRO COc1c(Br)cccc1C[NH2+][C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C ZINC001461669441 1067914708 /nfs/dbraw/zinc/91/47/08/1067914708.db2.gz PRFXQMWXWBUFNF-ATZDWAIDSA-N 1 0 453.421 4.971 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC001461675146 1067915934 /nfs/dbraw/zinc/91/59/34/1067915934.db2.gz DELUPPHPACBMRU-UHFFFAOYSA-N 1 0 457.833 4.938 20 0 JJADRO COc1cc(C[NH2+]Cc2ccsc2C(F)(F)F)cc(I)c1OC ZINC001461675738 1067915946 /nfs/dbraw/zinc/91/59/46/1067915946.db2.gz OFNIYBGFEHAIRX-UHFFFAOYSA-N 1 0 457.255 4.679 20 0 JJADRO CC(C)(C)OC(=O)NCCCOCC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001461676083 1067915972 /nfs/dbraw/zinc/91/59/72/1067915972.db2.gz BPIJMFUYOKJANJ-UHFFFAOYSA-N 1 0 459.534 4.850 20 0 JJADRO Cc1ccccc1CN1CCO[C@@H](C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC001461699109 1067920899 /nfs/dbraw/zinc/92/08/99/1067920899.db2.gz URBNSKRTJLYNNV-FQEVSTJZSA-N 1 0 457.334 4.767 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001461711972 1067923126 /nfs/dbraw/zinc/92/31/26/1067923126.db2.gz IXPJIWSPZXRFLT-LAUBAEHRSA-N 1 0 450.549 4.535 20 0 JJADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCc2cnc3ccccc3c2)CC1 ZINC001461743310 1067929148 /nfs/dbraw/zinc/92/91/48/1067929148.db2.gz YDSZIDVDHKGTGO-UHFFFAOYSA-N 1 0 452.396 4.743 20 0 JJADRO COc1ccc2ccccc2c1CC[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001461747950 1067929844 /nfs/dbraw/zinc/92/98/44/1067929844.db2.gz IJWWPEYIEFPFTG-OAQYLSRUSA-N 1 0 454.611 4.929 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1c(F)ccc(I)c1F ZINC001461754025 1067930998 /nfs/dbraw/zinc/93/09/98/1067930998.db2.gz NRFWLBXFZVIMTP-CHWSQXEVSA-N 1 0 480.337 4.552 20 0 JJADRO CCCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC001461754824 1067931056 /nfs/dbraw/zinc/93/10/56/1067931056.db2.gz OACOROMBCPQKQB-JWRPGUFASA-N 1 0 451.636 4.795 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH2+]C[C@H](O)Cc3ccc(F)cc3)n2)cc1 ZINC001461756860 1067931433 /nfs/dbraw/zinc/93/14/33/1067931433.db2.gz WMVWPHKVIQWCPP-HSZRJFAPSA-N 1 0 451.542 4.928 20 0 JJADRO COc1cc(Cl)ccc1NC(=O)COc1ccc(C[NH2+]C(C)(C)/C=C/Cl)cc1OC ZINC001461771091 1067933892 /nfs/dbraw/zinc/93/38/92/1067933892.db2.gz UZVPENONVWJISL-MDZDMXLPSA-N 1 0 453.366 4.995 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001461774139 1067934963 /nfs/dbraw/zinc/93/49/63/1067934963.db2.gz HHOBBCCTMNRQPU-QFBILLFUSA-N 1 0 463.420 4.726 20 0 JJADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1 ZINC001461803162 1067939313 /nfs/dbraw/zinc/93/93/13/1067939313.db2.gz YAKIDZLQGMDWGV-NRFANRHFSA-N 1 0 452.530 4.627 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCS[C@H](C)C2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461803029 1067939447 /nfs/dbraw/zinc/93/94/47/1067939447.db2.gz XVFYFSJGNYPPPR-GDBMZVCRSA-N 1 0 452.979 4.879 20 0 JJADRO COc1cc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)ccc1OCc1ccccc1 ZINC001461821794 1067941984 /nfs/dbraw/zinc/94/19/84/1067941984.db2.gz FQFYBMCHAZCNBZ-GOSISDBHSA-N 1 0 455.576 4.537 20 0 JJADRO COc1nc(C(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)cc2ccccc21 ZINC001461827754 1067942888 /nfs/dbraw/zinc/94/28/88/1067942888.db2.gz GNMCMNMASBQOQL-SFHVURJKSA-N 1 0 454.368 4.529 20 0 JJADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2cc3ccc(F)cc3[nH]c2=O)CC1 ZINC001461847004 1067946172 /nfs/dbraw/zinc/94/61/72/1067946172.db2.gz RCRORQFJGHFANM-UHFFFAOYSA-N 1 0 458.331 4.693 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)n2)cc1 ZINC001461849739 1067946574 /nfs/dbraw/zinc/94/65/74/1067946574.db2.gz NBPBJTOVNLJPGV-PMACEKPBSA-N 1 0 451.489 4.983 20 0 JJADRO COc1ccc(Br)cc1C[N@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461860129 1067949063 /nfs/dbraw/zinc/94/90/63/1067949063.db2.gz ACVMSFRNTHSSEK-AWEZNQCLSA-N 1 0 455.315 4.735 20 0 JJADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001461870541 1067951314 /nfs/dbraw/zinc/95/13/14/1067951314.db2.gz RMFONHUFOHMVOW-HSZRJFAPSA-N 1 0 457.659 4.687 20 0 JJADRO CC(=O)Nc1cc(Br)ccc1C[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001461883378 1067954204 /nfs/dbraw/zinc/95/42/04/1067954204.db2.gz QKAJAVGZCOGQJI-UHFFFAOYSA-N 1 0 454.409 4.675 20 0 JJADRO CCC[N@H+](Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001461898509 1067957107 /nfs/dbraw/zinc/95/71/07/1067957107.db2.gz NSAUXQWFWAZZDN-UHFFFAOYSA-N 1 0 451.974 4.671 20 0 JJADRO COCc1ccccc1/C=C(\C)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001461899207 1067957638 /nfs/dbraw/zinc/95/76/38/1067957638.db2.gz ODOGUCOIWHQIPF-XYSGSMRZSA-N 1 0 458.400 4.745 20 0 JJADRO Cc1c(Br)cc(C[N@H+](C)C[C@H](O)COCc2ccccc2)cc1Br ZINC001461906810 1067958866 /nfs/dbraw/zinc/95/88/66/1067958866.db2.gz LVDFGCPIZDRWFH-KRWDZBQOSA-N 1 0 457.206 4.530 20 0 JJADRO COc1ccc(OC2CC[NH+](Cc3cn(-c4cccc(Br)c4)nc3C)CC2)cc1 ZINC001461920606 1067961369 /nfs/dbraw/zinc/96/13/69/1067961369.db2.gz PDDWMVXLYXWWCA-UHFFFAOYSA-N 1 0 456.384 4.995 20 0 JJADRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC001461928509 1067962877 /nfs/dbraw/zinc/96/28/77/1067962877.db2.gz UQEYOSJHSVJJCP-UHFFFAOYSA-N 1 0 456.409 4.592 20 0 JJADRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461943016 1067965619 /nfs/dbraw/zinc/96/56/19/1067965619.db2.gz QYLCCFVSKKDTJQ-GOSISDBHSA-N 1 0 458.500 4.926 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC001461947938 1067966748 /nfs/dbraw/zinc/96/67/48/1067966748.db2.gz DUNJYBSWBZFNHC-VWLOTQADSA-N 1 0 456.656 4.575 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC001461963001 1067969827 /nfs/dbraw/zinc/96/98/27/1067969827.db2.gz HLKRJGFHALLCSS-DMKHAHDWSA-N 1 0 477.649 4.725 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461981438 1067974476 /nfs/dbraw/zinc/97/44/76/1067974476.db2.gz GESCRYNHCCTLPG-NRFANRHFSA-N 1 0 453.428 4.897 20 0 JJADRO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1F ZINC001461995832 1067977065 /nfs/dbraw/zinc/97/70/65/1067977065.db2.gz PSTDVOKASRCZMH-KKSFZXQISA-N 1 0 452.492 4.813 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(F)F)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001462009045 1067979564 /nfs/dbraw/zinc/97/95/64/1067979564.db2.gz TZQZLLIQCWJEAT-JOCHJYFZSA-N 1 0 459.581 4.942 20 0 JJADRO CCOc1ccccc1N1CC[NH+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001462011811 1067980099 /nfs/dbraw/zinc/98/00/99/1067980099.db2.gz AMALPHOHFQVKNF-UHFFFAOYSA-N 1 0 451.611 4.701 20 0 JJADRO CC(C)(C)[C@@]1(CN2CCCN(C(=O)c3cccc(F)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001462015406 1067981356 /nfs/dbraw/zinc/98/13/56/1067981356.db2.gz SOUJIFYEQNLGIM-MUUNZHRXSA-N 1 0 451.630 4.912 20 0 JJADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+](Cc2ccco2)Cc2cccs2)cnn1C ZINC001462036056 1067985554 /nfs/dbraw/zinc/98/55/54/1067985554.db2.gz CZLVVTNHMCMWPD-LJQANCHMSA-N 1 0 458.628 4.769 20 0 JJADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)Cc2ccccc2C(F)(F)F)cnn1C ZINC001462038051 1067986670 /nfs/dbraw/zinc/98/66/70/1067986670.db2.gz BLNYTLUDHZXIFE-KRWDZBQOSA-N 1 0 454.537 4.563 20 0 JJADRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC001462045223 1067988366 /nfs/dbraw/zinc/98/83/66/1067988366.db2.gz BZBLKBYTZDTYDW-GAJHUEQPSA-N 1 0 450.970 4.608 20 0 JJADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC001462045234 1067989002 /nfs/dbraw/zinc/98/90/02/1067989002.db2.gz BZBLKBYTZDTYDW-UZUQRXQVSA-N 1 0 450.970 4.608 20 0 JJADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)COC1(C)C ZINC001462047135 1067989461 /nfs/dbraw/zinc/98/94/61/1067989461.db2.gz IITZWYMSPPXLQP-RTBURBONSA-N 1 0 457.640 4.877 20 0 JJADRO COc1sc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)cc1Br ZINC001462056401 1067992454 /nfs/dbraw/zinc/99/24/54/1067992454.db2.gz BAOYMPZDVJYDEQ-UHFFFAOYSA-N 1 0 459.207 4.570 20 0 JJADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC001462081664 1067998315 /nfs/dbraw/zinc/99/83/15/1067998315.db2.gz GZQJCYZBHNSQTH-YLJYHZDGSA-N 1 0 455.234 4.974 20 0 JJADRO O=C(OCc1ccccc1)N1CCC(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC001462085933 1067998976 /nfs/dbraw/zinc/99/89/76/1067998976.db2.gz IVQJJVCOLHCPPU-BDYUSTAISA-N 1 0 454.586 4.538 20 0 JJADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C2CC(c3ccc(Cl)cc3)C2)c1 ZINC001462089419 1067999637 /nfs/dbraw/zinc/99/96/37/1067999637.db2.gz JWHJEOUUXYABDL-UHFFFAOYSA-N 1 0 451.792 4.767 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)COc2cc(C)ccc2Cl)cc1 ZINC001462108253 1068005064 /nfs/dbraw/zinc/00/50/64/1068005064.db2.gz MUGJWONHTMPQSO-UKILVPOCSA-N 1 0 464.993 4.820 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ncsc2C(F)(F)F)cc1 ZINC001462108354 1068005189 /nfs/dbraw/zinc/00/51/89/1068005189.db2.gz NKLCLZDCCPHRPU-RBUKOAKNSA-N 1 0 461.509 4.569 20 0 JJADRO CCc1nc(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC001462109816 1068005576 /nfs/dbraw/zinc/00/55/76/1068005576.db2.gz BZXFZVHDXPEPEG-HXUWFJFHSA-N 1 0 452.002 4.658 20 0 JJADRO Cc1ccc(-n2ncc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)cc1 ZINC001462115401 1068007460 /nfs/dbraw/zinc/00/74/60/1068007460.db2.gz DMKMNMJMDQQZCL-AZUAARDMSA-N 1 0 456.512 4.697 20 0 JJADRO Cc1ccc(-n2ncc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)cc1 ZINC001462115402 1068007490 /nfs/dbraw/zinc/00/74/90/1068007490.db2.gz DMKMNMJMDQQZCL-ICSRJNTNSA-N 1 0 456.512 4.697 20 0 JJADRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC001462118862 1068007655 /nfs/dbraw/zinc/00/76/55/1068007655.db2.gz IWESXXLJVKKLJE-APWZRJJASA-N 1 0 457.405 4.985 20 0 JJADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)c1nc(-c2cccc(F)c2)no1 ZINC001462119831 1068008334 /nfs/dbraw/zinc/00/83/34/1068008334.db2.gz MHHVRRCDYBKSOT-OAHLLOKOSA-N 1 0 459.363 4.953 20 0 JJADRO CC[NH+]1CCN(c2cccc(N[C@H]3CCN(C)[C@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122795 1068010140 /nfs/dbraw/zinc/01/01/40/1068010140.db2.gz AQVDTXFWFHHJON-UPVQGACJSA-N 1 0 457.460 4.838 20 0 JJADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC001462143515 1068014085 /nfs/dbraw/zinc/01/40/85/1068014085.db2.gz BMPYXQRCYACNGJ-QFYYESIMSA-N 1 0 457.727 4.691 20 0 JJADRO CCC[N@H+](CCOc1c(Cl)cc(Cl)cc1Cl)Cc1cccc(S(N)(=O)=O)c1 ZINC001462146540 1068015150 /nfs/dbraw/zinc/01/51/50/1068015150.db2.gz DOOIPLLGBREVDZ-UHFFFAOYSA-N 1 0 451.803 4.585 20 0 JJADRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1 ZINC001462150309 1068016184 /nfs/dbraw/zinc/01/61/84/1068016184.db2.gz IWSGWNMVPVJLQZ-OXJNMPFZSA-N 1 0 452.355 4.616 20 0 JJADRO CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CCC1 ZINC001546129707 1068018353 /nfs/dbraw/zinc/01/83/53/1068018353.db2.gz PQBJYIXXGZMUQZ-QGZVFWFLSA-N 1 0 494.453 4.584 20 0 JJADRO COc1sc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cc1Br ZINC001462163334 1068019677 /nfs/dbraw/zinc/01/96/77/1068019677.db2.gz FKERKLXKRVXSRI-UHFFFAOYSA-N 1 0 457.191 4.757 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCO[C@@H](c2ccccc2OC)C1)c1cccc(C(F)(F)F)c1 ZINC001462167014 1068020560 /nfs/dbraw/zinc/02/05/60/1068020560.db2.gz KWKALJRRYWGFLM-YADHBBJMSA-N 1 0 450.501 4.697 20 0 JJADRO CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[NH+](C(C)(C)C)CC2)CCCC1 ZINC001546129912 1068024167 /nfs/dbraw/zinc/02/41/67/1068024167.db2.gz YKUWUDQNJFXPGB-UHFFFAOYSA-N 1 0 477.495 4.937 20 0 JJADRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)CCc2ccc(I)cc2)cc1OC ZINC001462188858 1068025358 /nfs/dbraw/zinc/02/53/58/1068025358.db2.gz GUPZLMHWGSXWKM-HZPDHXFCSA-N 1 0 453.364 4.850 20 0 JJADRO COCCc1ccc(OC[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001462189736 1068025724 /nfs/dbraw/zinc/02/57/24/1068025724.db2.gz PWENTTPYMLZCKU-IIBYNOLFSA-N 1 0 451.394 4.735 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC001462192542 1068026293 /nfs/dbraw/zinc/02/62/93/1068026293.db2.gz XFOYBOLLAGIUJN-SJLPKXTDSA-N 1 0 456.414 4.868 20 0 JJADRO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001462198879 1068027347 /nfs/dbraw/zinc/02/73/47/1068027347.db2.gz FNSNFZGMTOACPS-RDTXWAMCSA-N 1 0 455.393 4.503 20 0 JJADRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC001462224305 1068032064 /nfs/dbraw/zinc/03/20/64/1068032064.db2.gz GEJOSEFAJARTGU-NRFANRHFSA-N 1 0 456.384 4.995 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001462234293 1068035018 /nfs/dbraw/zinc/03/50/18/1068035018.db2.gz ZIIIMEUQBPKUCO-PKTZIBPZSA-N 1 0 455.643 4.585 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)(c2ccccc2)C1 ZINC001462239812 1068035690 /nfs/dbraw/zinc/03/56/90/1068035690.db2.gz BUYHEMOAKBADRM-WHCXKFMVSA-N 1 0 455.643 4.525 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001462249099 1068037983 /nfs/dbraw/zinc/03/79/83/1068037983.db2.gz RKNVPKWJCVGXPK-HBMCJLEFSA-N 1 0 451.652 4.603 20 0 JJADRO CC[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C ZINC001462258501 1068040107 /nfs/dbraw/zinc/04/01/07/1068040107.db2.gz JKLMLTQGUOHPKK-CHWSQXEVSA-N 1 0 451.917 4.969 20 0 JJADRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462272519 1068042225 /nfs/dbraw/zinc/04/22/25/1068042225.db2.gz CMEZJEMDYJXNST-RBUKOAKNSA-N 1 0 455.599 4.814 20 0 JJADRO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(C(=O)OC)cc3C(F)(F)F)CC2)cc1 ZINC001462276104 1068042655 /nfs/dbraw/zinc/04/26/55/1068042655.db2.gz NSGHEALZPTZEIC-JOCHJYFZSA-N 1 0 451.485 4.836 20 0 JJADRO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280782 1068043033 /nfs/dbraw/zinc/04/30/33/1068043033.db2.gz GULDXVAWNOYZFR-IERDGZPVSA-N 1 0 451.485 4.998 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC001462284234 1068043498 /nfs/dbraw/zinc/04/34/98/1068043498.db2.gz QAPCKAZCGQHMMP-XMMPIXPASA-N 1 0 454.412 4.760 20 0 JJADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC001462282911 1068043558 /nfs/dbraw/zinc/04/35/58/1068043558.db2.gz IIPXLBDAJHSSSU-BMFZPTHFSA-N 1 0 455.304 4.822 20 0 JJADRO C[NH+](C)C1(C)CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC001462287010 1068044197 /nfs/dbraw/zinc/04/41/97/1068044197.db2.gz COGBEAORBCFSCO-DKTYTTGXSA-N 1 0 457.537 4.650 20 0 JJADRO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001462300742 1068046843 /nfs/dbraw/zinc/04/68/43/1068046843.db2.gz WXVQEIPXCMVREM-HSZRJFAPSA-N 1 0 453.583 4.643 20 0 JJADRO CC(C)(C)OC(=O)NCCC[C@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001462300745 1068046940 /nfs/dbraw/zinc/04/69/40/1068046940.db2.gz WXVQEIPXCMVREM-QHCPKHFHSA-N 1 0 453.583 4.643 20 0 JJADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462302185 1068047272 /nfs/dbraw/zinc/04/72/72/1068047272.db2.gz CSCRHVCNNVQHQI-AREMUKBSSA-N 1 0 455.599 4.876 20 0 JJADRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1Cn1cccn1 ZINC001462330309 1068052475 /nfs/dbraw/zinc/05/24/75/1068052475.db2.gz HRUUHYNAWNVGOC-UHFFFAOYSA-N 1 0 454.615 4.553 20 0 JJADRO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1OCC(F)F ZINC001462333487 1068053072 /nfs/dbraw/zinc/05/30/72/1068053072.db2.gz OJDPSSZRGXMWBL-KRWDZBQOSA-N 1 0 453.448 4.529 20 0 JJADRO C[C@H]1C[C@H](C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001462336835 1068053354 /nfs/dbraw/zinc/05/33/54/1068053354.db2.gz XAQYTHWXFJEYRZ-IZZBFERCSA-N 1 0 455.565 4.642 20 0 JJADRO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001462336847 1068053375 /nfs/dbraw/zinc/05/33/75/1068053375.db2.gz XAQYTHWXFJEYRZ-YXYSEUPNSA-N 1 0 455.565 4.642 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001462335721 1068053560 /nfs/dbraw/zinc/05/35/60/1068053560.db2.gz UXILTRUYYPKHGT-XMMPIXPASA-N 1 0 451.652 4.747 20 0 JJADRO CC[C@](C[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)(C(=O)OC)c1ccccc1 ZINC001462337407 1068053676 /nfs/dbraw/zinc/05/36/76/1068053676.db2.gz YTLVMKHYRPOQEB-HSZRJFAPSA-N 1 0 456.384 4.554 20 0 JJADRO COc1ccc([C@@H](O)C[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)[C@@H](C)Cc2ccccc2)cc1 ZINC001462339002 1068053906 /nfs/dbraw/zinc/05/39/06/1068053906.db2.gz FIONXWVJCRTPGM-KMRXNPHXSA-N 1 0 458.602 4.771 20 0 JJADRO COc1ccc([C@H](O)C[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)[C@H](C)Cc2ccccc2)cc1 ZINC001462339005 1068054216 /nfs/dbraw/zinc/05/42/16/1068054216.db2.gz FIONXWVJCRTPGM-LYZGTLIUSA-N 1 0 458.602 4.771 20 0 JJADRO Clc1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001462355257 1068058227 /nfs/dbraw/zinc/05/82/27/1068058227.db2.gz LPGPWCPNGBGSPV-HNNXBMFYSA-N 1 0 456.837 4.603 20 0 JJADRO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001462361134 1068059604 /nfs/dbraw/zinc/05/96/04/1068059604.db2.gz VZGYUZKZXAXWHZ-NNMXDRDESA-N 1 0 457.615 4.609 20 0 JJADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)c(Cl)c1 ZINC001462361194 1068059663 /nfs/dbraw/zinc/05/96/63/1068059663.db2.gz MBSMVXGEXRNCRT-FXAWDEMLSA-N 1 0 450.808 4.775 20 0 JJADRO CC(C)[C@H](C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)ONC(=O)OC(C)(C)C ZINC001462362298 1068060259 /nfs/dbraw/zinc/06/02/59/1068060259.db2.gz YDLQRAVQECQORI-IBGZPJMESA-N 1 0 456.509 4.521 20 0 JJADRO CNC(=O)[C@H](C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)Cc1ccc(OC)c(F)c1 ZINC001462366622 1068061026 /nfs/dbraw/zinc/06/10/26/1068061026.db2.gz ODEWVCCTJQFNIV-CUWPLCDZSA-N 1 0 452.492 4.684 20 0 JJADRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Br)ncc1Br ZINC001462403265 1068066524 /nfs/dbraw/zinc/06/65/24/1068066524.db2.gz NKYFGUFIUIOCAV-UHFFFAOYSA-N 1 0 453.178 4.845 20 0 JJADRO CNC(=O)[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406076 1068067025 /nfs/dbraw/zinc/06/70/25/1068067025.db2.gz AWQQHHGOLDFTPF-FJIJXJHWSA-N 1 0 459.556 4.568 20 0 JJADRO Cc1ccc(-n2c(Cl)c(CN3CC[C@@H]([N@H+](C)CCc4ccccc4)C3)nc2N(C)C)cc1 ZINC001462411246 1068068912 /nfs/dbraw/zinc/06/89/12/1068068912.db2.gz FGPIIAOQPPJYKB-HSZRJFAPSA-N 1 0 452.046 4.649 20 0 JJADRO CCOC(=O)c1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)[nH]c1C ZINC001462419493 1068070649 /nfs/dbraw/zinc/07/06/49/1068070649.db2.gz STEVAWPDAQZHSE-IFMALSPDSA-N 1 0 459.562 4.522 20 0 JJADRO CC[C@@H]1[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CCN1C(=O)OC(C)(C)C ZINC001462435039 1068073768 /nfs/dbraw/zinc/07/37/68/1068073768.db2.gz GVXSTZKMAMKFES-FHLIZLRMSA-N 1 0 454.409 4.544 20 0 JJADRO COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001462437013 1068074122 /nfs/dbraw/zinc/07/41/22/1068074122.db2.gz ITDZTXNCUUSHNX-XXBNENTESA-N 1 0 453.579 4.852 20 0 JJADRO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001462449425 1068076771 /nfs/dbraw/zinc/07/67/71/1068076771.db2.gz SFIJRBLQKWTJHA-NIJXNBFTSA-N 1 0 461.606 4.562 20 0 JJADRO CN(Cc1cc(Br)cc(C(F)(F)F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462477623 1068082052 /nfs/dbraw/zinc/08/20/52/1068082052.db2.gz HXCJLRYRGJXOSM-FQEVSTJZSA-N 1 0 457.334 4.537 20 0 JJADRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC001462479263 1068082417 /nfs/dbraw/zinc/08/24/17/1068082417.db2.gz KJXUPMIGMVJKFW-LCWAXJCOSA-N 1 0 451.652 4.646 20 0 JJADRO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)[nH]n1 ZINC001462562013 1068098722 /nfs/dbraw/zinc/09/87/22/1068098722.db2.gz KNKGEPNGLSYYNB-LJQANCHMSA-N 1 0 457.619 4.563 20 0 JJADRO C[C@@H](C[NH2+]Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1cc(F)cc(F)c1 ZINC001462575997 1068102243 /nfs/dbraw/zinc/10/22/43/1068102243.db2.gz IQEUUQPSBVKZSP-IBGZPJMESA-N 1 0 459.581 4.911 20 0 JJADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001462599050 1068108703 /nfs/dbraw/zinc/10/87/03/1068108703.db2.gz XHEGHPPIUFIOGD-LEWJYISDSA-N 1 0 474.914 4.681 20 0 JJADRO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001462601863 1068109577 /nfs/dbraw/zinc/10/95/77/1068109577.db2.gz FYVBCRWFKVDGQM-OHUGHZGNSA-N 1 0 451.652 4.888 20 0 JJADRO COc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)cc1O ZINC001462602983 1068110262 /nfs/dbraw/zinc/11/02/62/1068110262.db2.gz IKPIPCUGECGVSY-FBIATWESSA-N 1 0 454.611 4.937 20 0 JJADRO C[C@H](NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1nc(-c2ccc(Cl)cc2)no1 ZINC001462606991 1068110847 /nfs/dbraw/zinc/11/08/47/1068110847.db2.gz BNXWDCWUFZUSAZ-LBPRGKRZSA-N 1 0 450.873 4.624 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H](C)[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC001462614586 1068112290 /nfs/dbraw/zinc/11/22/90/1068112290.db2.gz QJZVFKZAOCCDEW-SEIFXHLTSA-N 1 0 478.614 4.947 20 0 JJADRO CC(C)(C)OC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC001462616318 1068112956 /nfs/dbraw/zinc/11/29/56/1068112956.db2.gz GNOCVBDQGGTCBM-QFIPXVFZSA-N 1 0 458.002 4.759 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC001462623768 1068115561 /nfs/dbraw/zinc/11/55/61/1068115561.db2.gz CGNFSCRXFDRXRI-SFHVURJKSA-N 1 0 452.521 4.687 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC001462623763 1068115712 /nfs/dbraw/zinc/11/57/12/1068115712.db2.gz CGNFSCRXFDRXRI-GOSISDBHSA-N 1 0 452.521 4.687 20 0 JJADRO COC(=O)C1CCC([NH2+]Cc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001462633332 1068118801 /nfs/dbraw/zinc/11/88/01/1068118801.db2.gz HHOASVXZOJCSFE-UHFFFAOYSA-N 1 0 455.502 4.668 20 0 JJADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001462645690 1068122960 /nfs/dbraw/zinc/12/29/60/1068122960.db2.gz ULWVDTDTEHGKGC-MRXNPFEDSA-N 1 0 450.753 4.876 20 0 JJADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001462645679 1068123015 /nfs/dbraw/zinc/12/30/15/1068123015.db2.gz ULWVDTDTEHGKGC-INIZCTEOSA-N 1 0 450.753 4.876 20 0 JJADRO CC(C)[C@@H]1CCC[C@](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001462648461 1068123799 /nfs/dbraw/zinc/12/37/99/1068123799.db2.gz RHZQGMDOPWFWMF-LCKKVJLRSA-N 1 0 456.597 4.888 20 0 JJADRO COC(=O)c1ccc2cc(CC[NH2+]Cc3c[nH]nc3-c3ccc(Br)cc3)oc2c1 ZINC001462649312 1068123910 /nfs/dbraw/zinc/12/39/10/1068123910.db2.gz AOSGTHBBBUJJHB-UHFFFAOYSA-N 1 0 454.324 4.704 20 0 JJADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)s1 ZINC001462656739 1068125698 /nfs/dbraw/zinc/12/56/98/1068125698.db2.gz XXEFQOHLVGDNPF-UHFFFAOYSA-N 1 0 452.621 4.759 20 0 JJADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1ccccc1 ZINC001462740513 1068150493 /nfs/dbraw/zinc/15/04/93/1068150493.db2.gz JVTCRZJNYQWBDX-QFIPXVFZSA-N 1 0 450.551 4.578 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2csc3ccc(Cl)cc32)cc1 ZINC001462831330 1068181941 /nfs/dbraw/zinc/18/19/41/1068181941.db2.gz HSSILEUYKWZHAR-UHFFFAOYSA-N 1 0 453.029 4.754 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccc(F)cc3C(F)(F)F)cc2)C1 ZINC001462837375 1068185165 /nfs/dbraw/zinc/18/51/65/1068185165.db2.gz NXSSFZDPTHDBLE-HZPDHXFCSA-N 1 0 458.521 4.801 20 0 JJADRO CC(C)n1ncc2cc(S(=O)(=O)NCc3ccc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)ccc21 ZINC001462839880 1068186331 /nfs/dbraw/zinc/18/63/31/1068186331.db2.gz WJTKOMCOCLWHKW-BGYRXZFFSA-N 1 0 454.640 4.574 20 0 JJADRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894898 1068206392 /nfs/dbraw/zinc/20/63/92/1068206392.db2.gz GOCZKGPULNKXIX-PKOBYXMFSA-N 1 0 451.430 4.604 20 0 JJADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC001462904532 1068210513 /nfs/dbraw/zinc/21/05/13/1068210513.db2.gz CTTADOLYHLDJCR-LLVKDONJSA-N 1 0 458.249 4.545 20 0 JJADRO CC[C@H](C)Oc1cccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001462912963 1068212531 /nfs/dbraw/zinc/21/25/31/1068212531.db2.gz QYKKILBYKGLWFX-KRWDZBQOSA-N 1 0 458.546 4.635 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001546135187 1068215523 /nfs/dbraw/zinc/21/55/23/1068215523.db2.gz QFMLMSXRGMPZNX-LADGPHEKSA-N 1 0 459.993 4.801 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(F)cccc1F ZINC001462949435 1068225508 /nfs/dbraw/zinc/22/55/08/1068225508.db2.gz YEQQCYLSSDZYRP-UHFFFAOYSA-N 1 0 451.366 4.804 20 0 JJADRO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1-c1ccccc1 ZINC001462954388 1068228076 /nfs/dbraw/zinc/22/80/76/1068228076.db2.gz KCVUFMYRXQUIMA-VWLOTQADSA-N 1 0 450.604 4.786 20 0 JJADRO O=S(=O)(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001463031641 1068257671 /nfs/dbraw/zinc/25/76/71/1068257671.db2.gz BLRNJXRJQSRYNS-IBGZPJMESA-N 1 0 454.061 4.787 20 0 JJADRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccc(F)cc2Br)CCCC1)c1ccccc1 ZINC001463035629 1068258872 /nfs/dbraw/zinc/25/88/72/1068258872.db2.gz MOWCEVVIKQCUFD-OAHLLOKOSA-N 1 0 455.393 4.530 20 0 JJADRO Cc1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)ccc1OC(C)C ZINC001463048284 1068265008 /nfs/dbraw/zinc/26/50/08/1068265008.db2.gz SIGQCNWIKBJWGS-UHFFFAOYSA-N 1 0 451.032 4.626 20 0 JJADRO CC(C)C[C@H](CNS(=O)(=O)c1c2ncsc2ccc1Cl)[NH2+][C@H](C)c1ccccc1 ZINC001463073761 1068277856 /nfs/dbraw/zinc/27/78/56/1068277856.db2.gz KICUAPYEHMMCRL-NVXWUHKLSA-N 1 0 452.045 4.994 20 0 JJADRO C[C@@H](C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1ccc(C(F)(F)F)n1 ZINC001463145781 1068302206 /nfs/dbraw/zinc/30/22/06/1068302206.db2.gz DWDLWECUWVYWIJ-NSXLHWASSA-N 1 0 456.512 4.637 20 0 JJADRO C[C@@]1(NC(=O)[C@@H](C[C@@H]2CCCO2)C(F)(F)F)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463149617 1068303487 /nfs/dbraw/zinc/30/34/87/1068303487.db2.gz OQLPSEZQRUNFOG-ONTNHIFESA-N 1 0 460.540 4.909 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC001463152159 1068304701 /nfs/dbraw/zinc/30/47/01/1068304701.db2.gz BPFAXPNNIZHSIA-SJCJKPOMSA-N 1 0 452.951 4.782 20 0 JJADRO CN(CCc1cccs1)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001463215473 1068322957 /nfs/dbraw/zinc/32/29/57/1068322957.db2.gz GBUDEAKYIJFYMO-BJKOFHAPSA-N 1 0 475.079 4.874 20 0 JJADRO CCCOc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1CC ZINC001463278437 1068342232 /nfs/dbraw/zinc/34/22/32/1068342232.db2.gz GLHNJVHCTLANMD-NOZRDPDXSA-N 1 0 456.652 4.713 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463344346 1068364476 /nfs/dbraw/zinc/36/44/76/1068364476.db2.gz UAPWTOONIDRODP-SBFWRKJZSA-N 1 0 469.670 4.829 20 0 JJADRO COc1ccc([C@H](CNC(=O)c2cc3c(ccc(C)c3Br)[nH]2)[NH+]2CCCC2)cc1 ZINC001463561779 1068444200 /nfs/dbraw/zinc/44/42/00/1068444200.db2.gz FKRAIMZIEVENOJ-NRFANRHFSA-N 1 0 456.384 4.814 20 0 JJADRO COc1ccc([C@H](CNC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC001463562003 1068444441 /nfs/dbraw/zinc/44/44/41/1068444441.db2.gz GQFBLHCNMMFALK-JTSKRJEESA-N 1 0 450.501 4.726 20 0 JJADRO COc1ccc([C@H](CNC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC001463562924 1068445093 /nfs/dbraw/zinc/44/50/93/1068445093.db2.gz IOFWTHAGJWFCLE-GPXNEJASSA-N 1 0 457.412 4.689 20 0 JJADRO COc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2Br)[NH+]2CCCC2)cc1 ZINC001463566063 1068447540 /nfs/dbraw/zinc/44/75/40/1068447540.db2.gz PRZXGQLUFBSEAB-HXUWFJFHSA-N 1 0 451.792 4.607 20 0 JJADRO O=S(=O)(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(OCC(F)F)c2ccccc21 ZINC001463614739 1068467070 /nfs/dbraw/zinc/46/70/70/1068467070.db2.gz VXWGOZNOPAWWEE-GOSISDBHSA-N 1 0 452.567 4.559 20 0 JJADRO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC001463646102 1068479492 /nfs/dbraw/zinc/47/94/92/1068479492.db2.gz GZAMGMDJQINLDS-INIZCTEOSA-N 1 0 453.992 4.790 20 0 JJADRO COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)NCC[NH+](C)C)c1OC ZINC001463658988 1068485622 /nfs/dbraw/zinc/48/56/22/1068485622.db2.gz ONJVLOYCERIIOE-ONZPZFSWSA-N 1 0 459.590 4.666 20 0 JJADRO Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C[NH+]4CCCC4)o3)ccc2C)c1 ZINC001463674201 1068490416 /nfs/dbraw/zinc/49/04/16/1068490416.db2.gz IIJICAFBSGSMMP-UHFFFAOYSA-N 1 0 453.564 4.545 20 0 JJADRO CC(C)N1C(=O)C[C@@H](C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463707850 1068501422 /nfs/dbraw/zinc/50/14/22/1068501422.db2.gz BVNDTMWEWGQXBL-GCJKJVERSA-N 1 0 452.014 4.548 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001463731286 1068506723 /nfs/dbraw/zinc/50/67/23/1068506723.db2.gz QWJLJSBNEDCTNU-NRFANRHFSA-N 1 0 457.659 4.871 20 0 JJADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1Br ZINC001463761325 1068515802 /nfs/dbraw/zinc/51/58/02/1068515802.db2.gz HKJUDOFBDAGDTK-GOSISDBHSA-N 1 0 457.290 4.915 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)[NH+](C)C)cc1 ZINC001463764004 1068516500 /nfs/dbraw/zinc/51/65/00/1068516500.db2.gz PFNUYOMGMCXGRU-JOCHJYFZSA-N 1 0 455.400 4.538 20 0 JJADRO O=C(NCCC[NH+]1CCCCCC1)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC001463767294 1068517794 /nfs/dbraw/zinc/51/77/94/1068517794.db2.gz WZNVUWVHQCPCEK-UHFFFAOYSA-N 1 0 459.432 4.510 20 0 JJADRO COc1cc(C)c(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C(C)C ZINC001463769458 1068518860 /nfs/dbraw/zinc/51/88/60/1068518860.db2.gz VGSLLBMDVNXRLC-NOTZXAQLSA-N 1 0 456.652 4.991 20 0 JJADRO Cc1nc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)nn1-c1c(Cl)cccc1Cl ZINC001463770246 1068519286 /nfs/dbraw/zinc/51/92/86/1068519286.db2.gz CDKOGIDFERGFLT-UHFFFAOYSA-N 1 0 458.393 4.798 20 0 JJADRO Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c(=O)[nH]1 ZINC001463771111 1068519403 /nfs/dbraw/zinc/51/94/03/1068519403.db2.gz UPEHBAHCVPIRLD-DEOSSOPVSA-N 1 0 458.606 4.621 20 0 JJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(I)cc(C)c1C ZINC001463772421 1068519843 /nfs/dbraw/zinc/51/98/43/1068519843.db2.gz BWWSBLKVZILZPH-UHFFFAOYSA-N 1 0 450.364 4.680 20 0 JJADRO CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)c2C1 ZINC001463773233 1068520628 /nfs/dbraw/zinc/52/06/28/1068520628.db2.gz BCEBQEQJUUSGJT-SFTDATJTSA-N 1 0 451.655 4.863 20 0 JJADRO CC(C)c1ncc(OCc2ccccc2)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC001463784963 1068523170 /nfs/dbraw/zinc/52/31/70/1068523170.db2.gz VLWYBHPSHVIGLZ-FQEVSTJZSA-N 1 0 450.608 4.807 20 0 JJADRO CCc1ccc([C@@H](CNS(=O)(=O)c2cc(Br)ccc2C)[NH+](CC)CC)cc1 ZINC001463790567 1068525176 /nfs/dbraw/zinc/52/51/76/1068525176.db2.gz DTJSGCRXKGWUQD-HXUWFJFHSA-N 1 0 453.446 4.681 20 0 JJADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001463813231 1068533967 /nfs/dbraw/zinc/53/39/67/1068533967.db2.gz UMOKEJDLBPTFHK-QFIPXVFZSA-N 1 0 459.428 4.557 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001463812808 1068534013 /nfs/dbraw/zinc/53/40/13/1068534013.db2.gz REDIUZSNXWMKBC-ZTCOLXNVSA-N 1 0 455.643 4.714 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)nc2cc(Br)ccc21)Cc1ccccc1 ZINC001463836763 1068542379 /nfs/dbraw/zinc/54/23/79/1068542379.db2.gz QMZLXYSBCOHZJD-HXUWFJFHSA-N 1 0 454.412 4.989 20 0 JJADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001463839342 1068543526 /nfs/dbraw/zinc/54/35/26/1068543526.db2.gz MIAZISIJQBVYGF-UEVCKROQSA-N 1 0 451.577 4.940 20 0 JJADRO O=C(CC[C@H]1CCc2ccccc21)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463841843 1068544620 /nfs/dbraw/zinc/54/46/20/1068544620.db2.gz VVHFNRNDGTXKPM-OAQYLSRUSA-N 1 0 459.556 4.844 20 0 JJADRO Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ncccc12 ZINC001463842742 1068545345 /nfs/dbraw/zinc/54/53/45/1068545345.db2.gz YZTHKKPWKYTDII-UHFFFAOYSA-N 1 0 456.512 4.504 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C3(c4ccc(C(F)(F)F)cc4)CCC3)CC2)c1 ZINC001463873092 1068551801 /nfs/dbraw/zinc/55/18/01/1068551801.db2.gz LYECPHDSEPDPKS-UHFFFAOYSA-N 1 0 459.556 4.764 20 0 JJADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001463874667 1068553482 /nfs/dbraw/zinc/55/34/82/1068553482.db2.gz QFFUPVMVCBOTMH-QGZVFWFLSA-N 1 0 459.403 4.816 20 0 JJADRO COc1ccc(C[N@@H+]2CCCN(C(=O)/C(=C/c3ccccc3OC)c3ccccc3)CC2)cc1 ZINC001463900308 1068559849 /nfs/dbraw/zinc/55/98/49/1068559849.db2.gz WENMZDOLFKZVBV-SZXQPVLSSA-N 1 0 456.586 4.979 20 0 JJADRO CC1(C)CC(NC(=O)c2cc3cc(Br)cc(Br)c3o2)CC(C)(C)[NH2+]1 ZINC001463901277 1068560619 /nfs/dbraw/zinc/56/06/19/1068560619.db2.gz VUDNXXLCXYKSOS-UHFFFAOYSA-N 1 0 458.194 4.997 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](OC)c1ccccc1Br)c1ccccc1Cl ZINC001463912153 1068563111 /nfs/dbraw/zinc/56/31/11/1068563111.db2.gz HETXAAKSIPTLCI-WOJBJXKFSA-N 1 0 453.808 4.989 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1)c1ccccc1Cl ZINC001463915539 1068564316 /nfs/dbraw/zinc/56/43/16/1068564316.db2.gz RHRXTEIVDOPFOS-JOCHJYFZSA-N 1 0 456.974 4.560 20 0 JJADRO CCc1c(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)cnn1-c1cccc(Cl)c1 ZINC001463920177 1068566009 /nfs/dbraw/zinc/56/60/09/1068566009.db2.gz VZVCVSRSRHQDBY-XMMPIXPASA-N 1 0 455.002 4.910 20 0 JJADRO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001463988467 1068581867 /nfs/dbraw/zinc/58/18/67/1068581867.db2.gz VUOGSCUEXKSQDN-NRFANRHFSA-N 1 0 451.640 4.705 20 0 JJADRO CCc1ccc([C@@H](NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)c2cccc(F)c2)cc1 ZINC001464014606 1068589375 /nfs/dbraw/zinc/58/93/75/1068589375.db2.gz IXQCRMRTYYQQLY-HHHXNRCGSA-N 1 0 451.630 4.790 20 0 JJADRO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c(Br)c1 ZINC001464016361 1068589844 /nfs/dbraw/zinc/58/98/44/1068589844.db2.gz BMRDKBUCASVHRP-UHFFFAOYSA-N 1 0 459.428 4.939 20 0 JJADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001464071788 1068604987 /nfs/dbraw/zinc/60/49/87/1068604987.db2.gz HAWDERYEWDVUJO-QGZVFWFLSA-N 1 0 457.500 4.557 20 0 JJADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 ZINC001464087629 1068610404 /nfs/dbraw/zinc/61/04/04/1068610404.db2.gz QGSOIBOGFGKHBT-UHFFFAOYSA-N 1 0 458.484 4.632 20 0 JJADRO CC[C@@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC001464099783 1068615313 /nfs/dbraw/zinc/61/53/13/1068615313.db2.gz LHRBOVVTWNZFFC-NRFANRHFSA-N 1 0 456.030 4.569 20 0 JJADRO O=C(CC1(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1)Nc1nccs1 ZINC001464108181 1068618283 /nfs/dbraw/zinc/61/82/83/1068618283.db2.gz WKRNRHRQZXCLGQ-OAQYLSRUSA-N 1 0 454.640 4.593 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Cc3ccc(OCc4ccccc4)cc3)cc2)C[C@H](C)O1 ZINC001464121224 1068622449 /nfs/dbraw/zinc/62/24/49/1068622449.db2.gz MAIWLCBARXJRFS-ZRZAMGCNSA-N 1 0 458.602 4.734 20 0 JJADRO COc1ccc(/C(C)=C/C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001464124365 1068623580 /nfs/dbraw/zinc/62/35/80/1068623580.db2.gz IPHOAFKSHGDNFF-BSYVCWPDSA-N 1 0 455.602 4.737 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3c(Cl)cccc3Br)cc2)C[C@@H](C)O1 ZINC001464124948 1068624226 /nfs/dbraw/zinc/62/42/26/1068624226.db2.gz XHOSZOORKHKYDO-HUUCEWRRSA-N 1 0 451.792 4.642 20 0 JJADRO COc1ccc(/C=C/C(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)cc1O ZINC001464135809 1068629413 /nfs/dbraw/zinc/62/94/13/1068629413.db2.gz ZPBXZVLMEVCVLB-UKTHLTGXSA-N 1 0 457.574 4.683 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001464154630 1068635846 /nfs/dbraw/zinc/63/58/46/1068635846.db2.gz HFPGJDQHJSZRGF-PCGJDWNTSA-N 1 0 455.643 4.857 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)cc1 ZINC001464156833 1068636200 /nfs/dbraw/zinc/63/62/00/1068636200.db2.gz LFNVPINWKKNFKB-UHFFFAOYSA-N 1 0 455.599 4.709 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001464157740 1068637056 /nfs/dbraw/zinc/63/70/56/1068637056.db2.gz YROJAPLHAZWHLO-HYBUGGRVSA-N 1 0 451.611 4.801 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2(OCc3ccccc3)CCOCC2)C1 ZINC001464191742 1068650139 /nfs/dbraw/zinc/65/01/39/1068650139.db2.gz BXCDIKRCVATBJE-ZRZAMGCNSA-N 1 0 450.623 4.547 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(OCc3ccccc3)CCOCC2)C1 ZINC001464191740 1068650219 /nfs/dbraw/zinc/65/02/19/1068650219.db2.gz BXCDIKRCVATBJE-DHIUTWEWSA-N 1 0 450.623 4.547 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001464203672 1068655422 /nfs/dbraw/zinc/65/54/22/1068655422.db2.gz PMMXYKLQFOVQRV-IBPRQYQWSA-N 1 0 457.659 4.864 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)cc1 ZINC001464206257 1068656863 /nfs/dbraw/zinc/65/68/63/1068656863.db2.gz OHVXQDOIQBOMLG-UHFFFAOYSA-N 1 0 454.521 4.612 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001464220055 1068662423 /nfs/dbraw/zinc/66/24/23/1068662423.db2.gz SJDZUGCUISTNSJ-NHCUHLMSSA-N 1 0 457.659 4.510 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)C1 ZINC001464220216 1068662478 /nfs/dbraw/zinc/66/24/78/1068662478.db2.gz QZANVYYNHQTDLO-IYBDPMFKSA-N 1 0 456.940 4.701 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC001464222532 1068663692 /nfs/dbraw/zinc/66/36/92/1068663692.db2.gz YYRZKAUCJHNDFZ-OKILXGFUSA-N 1 0 451.327 4.836 20 0 JJADRO Cc1cccn2cc(-c3ccc(NC(=O)Cc4csc(SCC[NH+](C)C)n4)cc3)nc12 ZINC001464227055 1068665823 /nfs/dbraw/zinc/66/58/23/1068665823.db2.gz CVWHTNQGQLCESS-UHFFFAOYSA-N 1 0 451.621 4.601 20 0 JJADRO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464234104 1068667721 /nfs/dbraw/zinc/66/77/21/1068667721.db2.gz IYUAHWWBLIEUNG-DFBJGRDBSA-N 1 0 451.586 4.981 20 0 JJADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001464236896 1068669153 /nfs/dbraw/zinc/66/91/53/1068669153.db2.gz URXOEQOGOXDHHE-XZOQPEGZSA-N 1 0 480.621 4.654 20 0 JJADRO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)c2)n1 ZINC001464243605 1068673458 /nfs/dbraw/zinc/67/34/58/1068673458.db2.gz XRTHGQVMOBBMBC-NRFANRHFSA-N 1 0 452.505 4.508 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC001464263738 1068680702 /nfs/dbraw/zinc/68/07/02/1068680702.db2.gz ALCXJAOBFBFIAM-UHFFFAOYSA-N 1 0 459.428 4.908 20 0 JJADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001464274972 1068685484 /nfs/dbraw/zinc/68/54/84/1068685484.db2.gz VLZGFDLBNLDWDZ-XMMPIXPASA-N 1 0 453.558 4.974 20 0 JJADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001464278022 1068686803 /nfs/dbraw/zinc/68/68/03/1068686803.db2.gz WVYZQBBKVHPYBH-LVXARBLLSA-N 1 0 456.652 4.835 20 0 JJADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001464281093 1068689415 /nfs/dbraw/zinc/68/94/15/1068689415.db2.gz KWNGEBBKMDATRZ-VWNXMTODSA-N 1 0 458.021 4.687 20 0 JJADRO C[C@@H](C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464299926 1068697031 /nfs/dbraw/zinc/69/70/31/1068697031.db2.gz QPAKBJDQYAUHFJ-QPPBQGQZSA-N 1 0 453.627 4.521 20 0 JJADRO CCCOc1cc(C)ccc1NC(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001464311799 1068701262 /nfs/dbraw/zinc/70/12/62/1068701262.db2.gz KJNCJCKKTOFGEC-QFIPXVFZSA-N 1 0 455.599 4.748 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)[NH+]1CCCCC1 ZINC001464327325 1068707297 /nfs/dbraw/zinc/70/72/97/1068707297.db2.gz CJQDOYXUNKGBNC-JRVPOQSUSA-N 1 0 454.567 4.600 20 0 JJADRO COc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1NC(=O)c1ccc(Cl)cc1F ZINC001464332206 1068708913 /nfs/dbraw/zinc/70/89/13/1068708913.db2.gz HKWSNOQGBXGDDG-UHFFFAOYSA-N 1 0 459.949 4.943 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)C1 ZINC001464365656 1068720518 /nfs/dbraw/zinc/72/05/18/1068720518.db2.gz VFAZDPBMRGZCQF-QGZVFWFLSA-N 1 0 456.662 4.637 20 0 JJADRO C[C@@H]1CCC[C@@](CNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)([NH+](C)C)C1 ZINC001464394708 1068729780 /nfs/dbraw/zinc/72/97/80/1068729780.db2.gz ASRZWDLYPBVMIC-LFGPKHSOSA-N 1 0 452.639 4.952 20 0 JJADRO C[C@@H]1CCC[C@@](CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)([NH+](C)C)C1 ZINC001464399589 1068732504 /nfs/dbraw/zinc/73/25/04/1068732504.db2.gz JKHQDFQJDTYYIB-IVZQSRNASA-N 1 0 453.414 4.993 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001464399466 1068732582 /nfs/dbraw/zinc/73/25/82/1068732582.db2.gz KSYBFPAIWGHEKO-NRFANRHFSA-N 1 0 458.393 4.777 20 0 JJADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccc(Br)cc2)no1 ZINC001464409084 1068736195 /nfs/dbraw/zinc/73/61/95/1068736195.db2.gz NLKHAKZJTROHPZ-UHFFFAOYSA-N 1 0 454.368 4.746 20 0 JJADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001464412793 1068737166 /nfs/dbraw/zinc/73/71/66/1068737166.db2.gz GWEAGVMPNPKCBF-ZBNTXBBCSA-N 1 0 456.030 4.684 20 0 JJADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001464412792 1068737326 /nfs/dbraw/zinc/73/73/26/1068737326.db2.gz GWEAGVMPNPKCBF-VKDGWMQASA-N 1 0 456.030 4.684 20 0 JJADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001464434936 1068743900 /nfs/dbraw/zinc/74/39/00/1068743900.db2.gz UGHDGEXLODVQRO-CEXWTWQISA-N 1 0 459.660 4.618 20 0 JJADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001464434939 1068744006 /nfs/dbraw/zinc/74/40/06/1068744006.db2.gz UGHDGEXLODVQRO-GUDVDZBRSA-N 1 0 459.660 4.618 20 0 JJADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001464452640 1068751306 /nfs/dbraw/zinc/75/13/06/1068751306.db2.gz XTIDKYOVMPXORJ-ROUUACIJSA-N 1 0 459.516 4.532 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)C1 ZINC001464453591 1068752010 /nfs/dbraw/zinc/75/20/10/1068752010.db2.gz REUNRFMVLAAAFC-QFIPXVFZSA-N 1 0 455.046 4.721 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](O)c3ccc(Cl)c(Cl)c3)cc2Cl)CC1 ZINC001464464985 1068755920 /nfs/dbraw/zinc/75/59/20/1068755920.db2.gz KHKQJEYLKYMGTL-FQEVSTJZSA-N 1 0 456.801 4.851 20 0 JJADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc(Br)sc1Br ZINC001464478208 1068760794 /nfs/dbraw/zinc/76/07/94/1068760794.db2.gz PDSPOGAWZYRHQW-UHFFFAOYSA-N 1 0 452.256 4.857 20 0 JJADRO CCCOc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(OCCC)c1 ZINC001464489418 1068764180 /nfs/dbraw/zinc/76/41/80/1068764180.db2.gz RPWYODSTEVYKBH-QHCPKHFHSA-N 1 0 452.595 4.982 20 0 JJADRO CC(C)(CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001464492755 1068765609 /nfs/dbraw/zinc/76/56/09/1068765609.db2.gz NDFYRGOIQCJBOV-SANMLTNESA-N 1 0 455.602 4.501 20 0 JJADRO CC(=O)N/C(=C\c1cccs1)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC001464493379 1068765631 /nfs/dbraw/zinc/76/56/31/1068765631.db2.gz QVXFYONQLRUERW-MOSHPQCFSA-N 1 0 454.423 4.512 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC001464501482 1068766679 /nfs/dbraw/zinc/76/66/79/1068766679.db2.gz XILWZBMYCDQZEL-APWZRJJASA-N 1 0 459.553 4.850 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC001464496244 1068766755 /nfs/dbraw/zinc/76/67/55/1068766755.db2.gz ZPUAKIYEKAXZGS-HXUWFJFHSA-N 1 0 451.394 4.755 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001464536312 1068774975 /nfs/dbraw/zinc/77/49/75/1068774975.db2.gz AKISDNOMAYNSJP-XMMPIXPASA-N 1 0 455.643 4.924 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1)c1ccco1 ZINC001464544801 1068777886 /nfs/dbraw/zinc/77/78/86/1068777886.db2.gz CEJGBHGSAGSMMZ-IBGZPJMESA-N 1 0 459.388 4.658 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCCCC(=O)c2ccc(F)cc2)CC1 ZINC001464560459 1068781753 /nfs/dbraw/zinc/78/17/53/1068781753.db2.gz LVBWCOCQKGIVIW-IBGZPJMESA-N 1 0 457.565 4.727 20 0 JJADRO Cc1c(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cccc1C(=O)Nc1ccccc1 ZINC001464563953 1068782932 /nfs/dbraw/zinc/78/29/32/1068782932.db2.gz WBRLVDGBXXHXNS-UHFFFAOYSA-N 1 0 457.574 4.704 20 0 JJADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001464563976 1068783080 /nfs/dbraw/zinc/78/30/80/1068783080.db2.gz WQHVMPUOHDIPCB-FQEVSTJZSA-N 1 0 459.656 4.520 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)[NH+]2CCCC2)cc1 ZINC001464598800 1068794770 /nfs/dbraw/zinc/79/47/70/1068794770.db2.gz UFIMEQHIEUKGGE-YLJYHZDGSA-N 1 0 458.628 4.604 20 0 JJADRO Cc1nc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001464649667 1068810864 /nfs/dbraw/zinc/81/08/64/1068810864.db2.gz MKWRZPDMDHCMBV-UHFFFAOYSA-N 1 0 450.414 4.657 20 0 JJADRO CCCN(C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464675494 1068820948 /nfs/dbraw/zinc/82/09/48/1068820948.db2.gz NVJGDHLZSGNTCA-RPWUZVMVSA-N 1 0 454.014 4.596 20 0 JJADRO CCCN(C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464675486 1068821071 /nfs/dbraw/zinc/82/10/71/1068821071.db2.gz NVJGDHLZSGNTCA-BJKOFHAPSA-N 1 0 454.014 4.596 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccoc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001464683173 1068823619 /nfs/dbraw/zinc/82/36/19/1068823619.db2.gz ATEINERFETTXPY-UHFFFAOYSA-N 1 0 456.543 4.693 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2Br)[NH+]2CCCC2)o1 ZINC001464686599 1068825038 /nfs/dbraw/zinc/82/50/38/1068825038.db2.gz VYAGWECKANDORS-INIZCTEOSA-N 1 0 456.178 4.680 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2cc(Br)cc(Br)c2)[NH+]2CCCC2)o1 ZINC001464687096 1068825725 /nfs/dbraw/zinc/82/57/25/1068825725.db2.gz YYPSAEGLMQWWNZ-INIZCTEOSA-N 1 0 456.178 4.680 20 0 JJADRO Cc1cc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c(C)n1C1CCOCC1 ZINC001464691708 1068826852 /nfs/dbraw/zinc/82/68/52/1068826852.db2.gz UUHOBCDFVAACAG-UHFFFAOYSA-N 1 0 452.599 4.523 20 0 JJADRO OCC[C@H]1CC12CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)CC2 ZINC001164393734 718811197 /nfs/dbraw/zinc/81/11/97/718811197.db2.gz VAJPGGWGXSRRQL-NRFANRHFSA-N 1 0 468.041 4.745 20 0 JJADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CCC(F)(C[NH3+])CC3)n2)CC1 ZINC001164389396 718813323 /nfs/dbraw/zinc/81/33/23/718813323.db2.gz VWQDSAVDBQOKJQ-UHFFFAOYSA-N 1 0 459.660 4.919 20 0 JJADRO FC(F)(F)[C@@H]1N(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CCC12CC[NH2+]CC2 ZINC001164388895 718814645 /nfs/dbraw/zinc/81/46/45/718814645.db2.gz RHXSRAXNQUXHOE-CQSZACIVSA-N 1 0 455.258 4.992 20 0 JJADRO FC(F)(F)[C@H]1N(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CCC12CC[NH2+]CC2 ZINC001164388538 718814669 /nfs/dbraw/zinc/81/46/69/718814669.db2.gz PKJRCLGDEOMCRI-HNNXBMFYSA-N 1 0 455.258 4.992 20 0 JJADRO FC(F)(F)[C@@H]1N(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)CCC12CC[NH2+]CC2 ZINC001164389279 718814709 /nfs/dbraw/zinc/81/47/09/718814709.db2.gz UOQGPOAIGCPIQQ-CQSZACIVSA-N 1 0 455.258 4.992 20 0 JJADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCC5(CC[NH2+]CC5)[C@H]4C(F)(F)F)c32)C1 ZINC001164389350 718815489 /nfs/dbraw/zinc/81/54/89/718815489.db2.gz VJZKCAVCXCRVKI-MWTRTKDXSA-N 1 0 493.643 4.923 20 0 JJADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)n1 ZINC001164388215 718815540 /nfs/dbraw/zinc/81/55/40/718815540.db2.gz NJXDXLXDAXDWGV-QFIPXVFZSA-N 1 0 475.584 4.931 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c2c1C ZINC001164389340 718815573 /nfs/dbraw/zinc/81/55/73/718815573.db2.gz VEUBHLGHLPLZQR-OAQYLSRUSA-N 1 0 467.605 4.805 20 0 JJADRO Fc1ccccc1-c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c(Cl)nn1 ZINC001164388245 718815807 /nfs/dbraw/zinc/81/58/07/718815807.db2.gz NRYFGUQZMNGULR-QGZVFWFLSA-N 1 0 464.841 4.992 20 0 JJADRO COc1ccccc1-c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c(Cl)nn1 ZINC001164386828 718815864 /nfs/dbraw/zinc/81/58/64/718815864.db2.gz ASXMWQDCVATPMT-SFHVURJKSA-N 1 0 476.877 4.861 20 0 JJADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)cnc1Cl ZINC001164406372 718865185 /nfs/dbraw/zinc/86/51/85/718865185.db2.gz GMPAQWCYOKIHEV-UGSOOPFHSA-N 1 0 461.862 4.780 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H](c3ncn4c3cccc4Br)C2)nc1 ZINC001164420309 718891246 /nfs/dbraw/zinc/89/12/46/718891246.db2.gz TZAIITGWYOQOIL-UYAOXDASSA-N 1 0 470.415 4.617 20 0 JJADRO c1sc2nc(CN3CCOCC3)nc(N3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1-c1ccccc1 ZINC001164419768 718892493 /nfs/dbraw/zinc/89/24/93/718892493.db2.gz RARRVZLGIDYFRQ-HSZRJFAPSA-N 1 0 477.678 4.549 20 0 JJADRO Clc1ncc2c(c1N1CC[C@@H]3CCCO[C@@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164419858 718901215 /nfs/dbraw/zinc/90/12/15/718901215.db2.gz CYUOCKHMRHXGBC-NZQKXSOJSA-N 1 0 454.014 4.762 20 0 JJADRO O=C1CC2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)c2cc(F)ccc21 ZINC001164422705 718938984 /nfs/dbraw/zinc/93/89/84/718938984.db2.gz BLXMDTUBGABCFP-UHFFFAOYSA-N 1 0 461.915 4.920 20 0 JJADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)c2ccccc21 ZINC001164424006 718943436 /nfs/dbraw/zinc/94/34/36/718943436.db2.gz MDGNHHGMFKHEOM-WIYYLYMNSA-N 1 0 465.935 4.909 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164615603 719009431 /nfs/dbraw/zinc/00/94/31/719009431.db2.gz JDWKAGHPJXKLCE-KSFYIVLOSA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)nc4sc5c(c43)CCCCC5)CC2)CC1 ZINC001164617988 719032025 /nfs/dbraw/zinc/03/20/25/719032025.db2.gz QKIPOVRROSFCDU-UHFFFAOYSA-N 1 0 456.656 4.513 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(-c4ccc(F)cc4)c4ccccc43)CC2)CC1 ZINC001164617578 719032260 /nfs/dbraw/zinc/03/22/60/719032260.db2.gz MDZCPFCIOCOGMI-UHFFFAOYSA-N 1 0 462.569 4.680 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3)CC2)CC1 ZINC001164616466 719034557 /nfs/dbraw/zinc/03/45/57/719034557.db2.gz CTGYBPVHGQMWOW-UHFFFAOYSA-N 1 0 471.045 4.582 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164624808 719049499 /nfs/dbraw/zinc/04/94/99/719049499.db2.gz PBEFNTNHZZHOBI-ZJSXRUAMSA-N 1 0 470.951 4.934 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164630151 719095662 /nfs/dbraw/zinc/09/56/62/719095662.db2.gz VPVMXYCMZBVLMK-VQTJNVASSA-N 1 0 455.940 4.838 20 0 JJADRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@H]3O2)n1 ZINC001164634975 719264003 /nfs/dbraw/zinc/26/40/03/719264003.db2.gz HGPPRMKWWQYYMI-BULFRSBZSA-N 1 0 489.998 4.927 20 0 JJADRO Fc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164656411 719296533 /nfs/dbraw/zinc/29/65/33/719296533.db2.gz XCJWPEBSPSEABD-CUNXSJBXSA-N 1 0 494.014 4.834 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)nc1 ZINC001164654284 719323429 /nfs/dbraw/zinc/32/34/29/719323429.db2.gz JVPRHVUEZHCRNW-AREMUKBSSA-N 1 0 472.637 4.772 20 0 JJADRO CC(C)N(C)Cc1nn(-c2nc(-c3cccs3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164680235 719641735 /nfs/dbraw/zinc/64/17/35/719641735.db2.gz SWTRACDRIPHQAZ-UHFFFAOYSA-N 1 0 464.664 4.580 20 0 JJADRO Cc1cccc2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc12 ZINC001164681703 719655442 /nfs/dbraw/zinc/65/54/42/719655442.db2.gz QEDWFQBBTRXQHD-HSZRJFAPSA-N 1 0 456.634 4.637 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3ccnc(Cl)c3F)CC2)c2ccccc21 ZINC001164681390 719657481 /nfs/dbraw/zinc/65/74/81/719657481.db2.gz NLTXRYHXYSZARK-KRWDZBQOSA-N 1 0 494.989 4.512 20 0 JJADRO Cc1cc2c(nc(Cl)nc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)s1 ZINC001164683948 719663352 /nfs/dbraw/zinc/66/33/52/719663352.db2.gz VUAIBNSIYBSQPK-GOSISDBHSA-N 1 0 498.096 4.747 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4cccc(Cl)c43)CC2)c2ccccc21 ZINC001164685957 719670504 /nfs/dbraw/zinc/67/05/04/719670504.db2.gz WGRMZDWSFZZQRP-OAQYLSRUSA-N 1 0 477.052 4.982 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4ccc(Cl)cc4n3)CC2)c2ccccc21 ZINC001164681871 719673197 /nfs/dbraw/zinc/67/31/97/719673197.db2.gz NVINDPKBJGTBLQ-NRFANRHFSA-N 1 0 477.052 4.982 20 0 JJADRO Cc1c[nH]c2nc(Cl)cc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164684684 719676242 /nfs/dbraw/zinc/67/62/42/719676242.db2.gz VDWRKVBPSRGQNY-IBGZPJMESA-N 1 0 480.056 4.618 20 0 JJADRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(-c2cccs2)n1 ZINC001164681062 719679075 /nfs/dbraw/zinc/67/90/75/719679075.db2.gz JEOAUSCDCAEUDY-NRFANRHFSA-N 1 0 489.689 4.607 20 0 JJADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164687961 719684382 /nfs/dbraw/zinc/68/43/82/719684382.db2.gz WXZOVSLNUZIRFM-RTWAWAEBSA-N 1 0 488.680 4.565 20 0 JJADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3cccnc3)nc3scc(-c4ccccc4)c31)CC2 ZINC001164689335 719738706 /nfs/dbraw/zinc/73/87/06/719738706.db2.gz BIUTZOUTGLVHSN-UHFFFAOYSA-N 1 0 498.656 4.601 20 0 JJADRO COc1cccc(Oc2cncc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)n2)c1 ZINC001164691618 719811858 /nfs/dbraw/zinc/81/18/58/719811858.db2.gz INGHZAYSGQRLNL-UHFFFAOYSA-N 1 0 451.596 4.677 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4oc(-c5ccc(C)cc5)nc42)CC3)cs1 ZINC001164691317 719814087 /nfs/dbraw/zinc/81/40/87/719814087.db2.gz FWODHYKNLCGLLT-UHFFFAOYSA-N 1 0 460.607 4.993 20 0 JJADRO CSc1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164696645 719894729 /nfs/dbraw/zinc/89/47/29/719894729.db2.gz GMAGMOLUFGGFAS-UHFFFAOYSA-N 1 0 460.015 4.935 20 0 JJADRO CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164698237 719896739 /nfs/dbraw/zinc/89/67/39/719896739.db2.gz QBZJPKCTKLLJSB-UHFFFAOYSA-N 1 0 460.015 4.935 20 0 JJADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nc(-c5ccccn5)nc5sccc54)CC3)C2)c1 ZINC001164707568 719903503 /nfs/dbraw/zinc/90/35/03/719903503.db2.gz UJTKCQIZQWIJMS-UHFFFAOYSA-N 1 0 463.632 4.686 20 0 JJADRO CC(C)(C)OC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164707084 719903665 /nfs/dbraw/zinc/90/36/65/719903665.db2.gz NEMPABNBGFOUSQ-UHFFFAOYSA-N 1 0 464.031 4.623 20 0 JJADRO COc1ccc(Oc2cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc(C)n2)cc1 ZINC001164705923 719904125 /nfs/dbraw/zinc/90/41/25/719904125.db2.gz FWTLOHLMOQHBTE-UHFFFAOYSA-N 1 0 466.607 4.519 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3nc(C(=O)Nc4cccc(OC)c4)sc3CC2)nc1 ZINC001164715023 720088932 /nfs/dbraw/zinc/08/89/32/720088932.db2.gz XYYDNPZLZLQBEZ-HSZRJFAPSA-N 1 0 491.661 4.951 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164815836 720093789 /nfs/dbraw/zinc/09/37/89/720093789.db2.gz ZZOPADVQWHJJQG-REWPJTCUSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(OC)cc3)nc3ccc(F)cc31)C2 ZINC001164809760 720093862 /nfs/dbraw/zinc/09/38/62/720093862.db2.gz JYKNMLMYRRDXDZ-RBTNQOKQSA-N 1 0 476.596 4.629 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164806710 720101406 /nfs/dbraw/zinc/10/14/06/720101406.db2.gz DAZPDCKURDNZPT-HRAATJIYSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164715589 720112340 /nfs/dbraw/zinc/11/23/40/720112340.db2.gz IFXCOIQWPFEISU-HSZRJFAPSA-N 1 0 478.040 4.623 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164715513 720114009 /nfs/dbraw/zinc/11/40/09/720114009.db2.gz GSWVRYLFMSUESZ-SFHVURJKSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164714262 720116385 /nfs/dbraw/zinc/11/63/85/720116385.db2.gz BGGIEWRSWRCXKM-QFIPXVFZSA-N 1 0 468.605 4.527 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164719545 720117843 /nfs/dbraw/zinc/11/78/43/720117843.db2.gz YUFVDTODHBDHQQ-IBGZPJMESA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3cc(OC)ccc31)CC2 ZINC001164716927 720118147 /nfs/dbraw/zinc/11/81/47/720118147.db2.gz LQDXFQWGQRQZBB-HXUWFJFHSA-N 1 0 467.013 4.799 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(OC)c3ccc(Cl)cc31)CC2 ZINC001164719568 720118237 /nfs/dbraw/zinc/11/82/37/720118237.db2.gz ZCLPOGIQDMGXEO-NRFANRHFSA-N 1 0 467.013 4.799 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164717366 720126523 /nfs/dbraw/zinc/12/65/23/720126523.db2.gz NRTGQYNHOJPCAD-NRFANRHFSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CC2 ZINC001164711760 720138312 /nfs/dbraw/zinc/13/83/12/720138312.db2.gz JUYQEQLRPFSJEL-JOCHJYFZSA-N 1 0 465.686 4.974 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(C)(C)C)nc(C(C)C)n1)CC2 ZINC001164713571 720148295 /nfs/dbraw/zinc/14/82/95/720148295.db2.gz SDMAMJPABRNFIY-JOCHJYFZSA-N 1 0 451.659 4.800 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164713085 720148703 /nfs/dbraw/zinc/14/87/03/720148703.db2.gz QMLGRIQNOHJOIK-NRFANRHFSA-N 1 0 482.003 4.839 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)C2 ZINC001164814261 720161683 /nfs/dbraw/zinc/16/16/83/720161683.db2.gz FIEBEFHKHPIDII-KBMIEXCESA-N 1 0 452.599 4.682 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164817747 720173151 /nfs/dbraw/zinc/17/31/51/720173151.db2.gz QEAIQFYCTADJFH-HRAATJIYSA-N 1 0 469.001 4.588 20 0 JJADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164812427 720184223 /nfs/dbraw/zinc/18/42/23/720184223.db2.gz ANYPVHXUQYAJHE-KDYSTLNUSA-N 1 0 478.662 4.689 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)C2 ZINC001164813663 720193635 /nfs/dbraw/zinc/19/36/35/720193635.db2.gz DDRXPYMBELTDDR-SBUREZEXSA-N 1 0 465.400 4.774 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)C2 ZINC001164810752 720198201 /nfs/dbraw/zinc/19/82/01/720198201.db2.gz CNAOYXDFWDTQKN-GAJHUEQPSA-N 1 0 463.409 4.760 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3OC)nnc1Cl)C2 ZINC001164814620 720203042 /nfs/dbraw/zinc/20/30/42/720203042.db2.gz VLJSKRQWZNGKHM-KOSHJBKYSA-N 1 0 492.998 4.535 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3OC)nnc1Cl)C2 ZINC001164814619 720203700 /nfs/dbraw/zinc/20/37/00/720203700.db2.gz VLJSKRQWZNGKHM-HOYKHHGWSA-N 1 0 492.998 4.535 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164811708 720204584 /nfs/dbraw/zinc/20/45/84/720204584.db2.gz JVQLBBOWCGMFLR-FDDCHVKYSA-N 1 0 480.962 4.666 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164810322 720205235 /nfs/dbraw/zinc/20/52/35/720205235.db2.gz CBRRUDYELJCJBR-PGRDOPGGSA-N 1 0 451.945 4.725 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164810320 720205684 /nfs/dbraw/zinc/20/56/84/720205684.db2.gz CBRRUDYELJCJBR-AVRDEDQJSA-N 1 0 451.945 4.725 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164815781 720259305 /nfs/dbraw/zinc/25/93/05/720259305.db2.gz FBPJJJBTHDTFSN-XPWALMASSA-N 1 0 453.656 4.553 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164815779 720259417 /nfs/dbraw/zinc/25/94/17/720259417.db2.gz FBPJJJBTHDTFSN-VJBWXMMDSA-N 1 0 453.656 4.553 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3cc(OCc4ccccc4)ccc3n2)CC1 ZINC001164830313 720325102 /nfs/dbraw/zinc/32/51/02/720325102.db2.gz PNZHPPVDTSPULF-IZLXSDGUSA-N 1 0 484.644 4.725 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC001164824697 720325314 /nfs/dbraw/zinc/32/53/14/720325314.db2.gz CTQGMXKGKZWREE-JWQCQUIFSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC001164827966 720337138 /nfs/dbraw/zinc/33/71/38/720337138.db2.gz NIHJKWCDTVEFEJ-KAYWLYCHSA-N 1 0 454.618 4.813 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC001164824998 720337323 /nfs/dbraw/zinc/33/73/23/720337323.db2.gz IKYTYQYRDNVDIF-JWQCQUIFSA-N 1 0 490.051 4.862 20 0 JJADRO Cc1sc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1-c1ccccc1 ZINC001164831618 720339296 /nfs/dbraw/zinc/33/92/96/720339296.db2.gz ZFIDEUCCCRHLBQ-FGZHOGPDSA-N 1 0 475.662 4.578 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164725612 720359050 /nfs/dbraw/zinc/35/90/50/720359050.db2.gz OKGRWNQHSOGERA-DQEYMECFSA-N 1 0 455.537 4.693 20 0 JJADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729787 720392228 /nfs/dbraw/zinc/39/22/28/720392228.db2.gz WKMWJUQPGSGZCK-DLBZAZTESA-N 1 0 450.320 4.730 20 0 JJADRO c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730925 720433858 /nfs/dbraw/zinc/43/38/58/720433858.db2.gz JUBFXCZRUVUPTN-VXKWHMMOSA-N 1 0 468.630 4.880 20 0 JJADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735949 720459375 /nfs/dbraw/zinc/45/93/75/720459375.db2.gz ZTZXVCDRDUOJOL-VXKWHMMOSA-N 1 0 457.603 4.753 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842037 720538813 /nfs/dbraw/zinc/53/88/13/720538813.db2.gz WEOHCJJCKQGOSY-OXFYSEKESA-N 1 0 478.950 4.542 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834224 720544800 /nfs/dbraw/zinc/54/48/00/720544800.db2.gz CWTZEDLOPMRACB-IEIRFRATSA-N 1 0 497.018 4.701 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164732695 720548335 /nfs/dbraw/zinc/54/83/35/720548335.db2.gz DQHGMCACGYOQMW-KRWDZBQOSA-N 1 0 468.951 4.997 20 0 JJADRO CSc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1Cl ZINC001164837393 720557288 /nfs/dbraw/zinc/55/72/88/720557288.db2.gz MFSQJVHOWIFWGD-GVDBMIGSSA-N 1 0 456.006 4.576 20 0 JJADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164728090 720566024 /nfs/dbraw/zinc/56/60/24/720566024.db2.gz JETHFFUBOCIXNI-UHFFFAOYSA-N 1 0 486.023 4.714 20 0 JJADRO Clc1nc2sc(-c3ccccc3)cc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736478 720575034 /nfs/dbraw/zinc/57/50/34/720575034.db2.gz LGVDNGWVTWQWKL-UHFFFAOYSA-N 1 0 465.026 4.867 20 0 JJADRO Cc1ccc(-c2nnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c3ccccc32)cc1C ZINC001164736623 720581112 /nfs/dbraw/zinc/58/11/12/720581112.db2.gz PHBJALLMBRLFLI-UHFFFAOYSA-N 1 0 452.606 4.769 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC[C@@H]21 ZINC001164842184 720583164 /nfs/dbraw/zinc/58/31/64/720583164.db2.gz UIIKYVRKWNMANW-PVHODMMVSA-N 1 0 487.648 4.758 20 0 JJADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164844215 720600899 /nfs/dbraw/zinc/60/08/99/720600899.db2.gz ZZLQGJYNGZIILE-NNMXDRDESA-N 1 0 482.028 4.639 20 0 JJADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164836144 720605537 /nfs/dbraw/zinc/60/55/37/720605537.db2.gz DVPPBORPQPWQJQ-YTFSRNRJSA-N 1 0 487.677 4.944 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837331 720633157 /nfs/dbraw/zinc/63/31/57/720633157.db2.gz IAYFQNYOBHAZPR-OXFYSEKESA-N 1 0 460.960 4.795 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837333 720634574 /nfs/dbraw/zinc/63/45/74/720634574.db2.gz IAYFQNYOBHAZPR-RIFZZMRRSA-N 1 0 460.960 4.795 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccccc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839251 720640116 /nfs/dbraw/zinc/64/01/16/720640116.db2.gz MWGXDSXJKYLXOD-CMKODMSKSA-N 1 0 470.980 4.636 20 0 JJADRO CSc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842646 720663878 /nfs/dbraw/zinc/66/38/78/720663878.db2.gz SXVPPPMUVNCWIK-KRWDZBQOSA-N 1 0 469.001 4.657 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164840549 720672586 /nfs/dbraw/zinc/67/25/86/720672586.db2.gz NJCAMHKTCKSDQV-QHCPKHFHSA-N 1 0 483.056 4.621 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164843827 720689659 /nfs/dbraw/zinc/68/96/59/720689659.db2.gz REVOBBWNIZGBII-JOCHJYFZSA-N 1 0 453.590 4.885 20 0 JJADRO CCOc1cc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OCC ZINC001164841842 720690144 /nfs/dbraw/zinc/69/01/44/720690144.db2.gz JJQIJBVMFDHNQX-JOCHJYFZSA-N 1 0 476.621 4.687 20 0 JJADRO CCOC(=O)c1cc2ccccc2nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844954 720701311 /nfs/dbraw/zinc/70/13/11/720701311.db2.gz WXVHWBXBPBGSPN-QHCPKHFHSA-N 1 0 459.590 4.671 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164838208 720706680 /nfs/dbraw/zinc/70/66/80/720706680.db2.gz HMTVSIHMZHJNGZ-QFIPXVFZSA-N 1 0 461.610 4.689 20 0 JJADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840292 720708166 /nfs/dbraw/zinc/70/81/66/720708166.db2.gz OQRUEUODISCKOE-FQEVSTJZSA-N 1 0 454.018 4.926 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164839013 720711164 /nfs/dbraw/zinc/71/11/64/720711164.db2.gz KHBMYRJIYJUVEP-XMMPIXPASA-N 1 0 465.601 4.952 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164836978 720717843 /nfs/dbraw/zinc/71/78/43/720717843.db2.gz CFWYIFYUJDFFBJ-XMMPIXPASA-N 1 0 486.616 4.565 20 0 JJADRO CCOc1ccc(-c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164840910 720719262 /nfs/dbraw/zinc/71/92/62/720719262.db2.gz SIIBOCPFLABCPB-DEOSSOPVSA-N 1 0 458.606 4.802 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CC2 ZINC001164838395 720723347 /nfs/dbraw/zinc/72/33/47/720723347.db2.gz IXWMSWCAUSYGJM-IBGZPJMESA-N 1 0 489.954 4.590 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164837658 720725918 /nfs/dbraw/zinc/72/59/18/720725918.db2.gz FWZZPSPWTIGSQZ-XMMPIXPASA-N 1 0 479.024 4.969 20 0 JJADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838106 720738297 /nfs/dbraw/zinc/73/82/97/720738297.db2.gz SDMOTGQWDMMRCS-UHFFFAOYSA-N 1 0 467.351 4.730 20 0 JJADRO FC(F)(c1cc2ccccc2nc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843068 720742501 /nfs/dbraw/zinc/74/25/01/720742501.db2.gz HTELYKOKLSBBTP-UHFFFAOYSA-N 1 0 480.950 4.791 20 0 JJADRO CC[C@H]1N(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CCC[C@@]12CCC(=O)N2 ZINC001164847809 720754367 /nfs/dbraw/zinc/75/43/67/720754367.db2.gz NKOAAMISKJTTDT-YIXXDRMTSA-N 1 0 495.067 4.784 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)nc1 ZINC001164844347 720779802 /nfs/dbraw/zinc/77/98/02/720779802.db2.gz BMTJOBIMMMYBMY-QUMGSSFMSA-N 1 0 450.627 4.757 20 0 JJADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745138 720821986 /nfs/dbraw/zinc/82/19/86/720821986.db2.gz WPWFTVWSKLVHGO-DJPFJPOOSA-N 1 0 457.409 4.513 20 0 JJADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164737703 720826846 /nfs/dbraw/zinc/82/68/46/720826846.db2.gz CDRAZVYFMXSGIM-KWXIBIRDSA-N 1 0 491.643 4.782 20 0 JJADRO COC[C@]12CCCO[C@H]1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164846023 720827260 /nfs/dbraw/zinc/82/72/60/720827260.db2.gz COUCEAPTAYEJRE-RPLLCQBOSA-N 1 0 498.067 4.778 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164745159 720836726 /nfs/dbraw/zinc/83/67/26/720836726.db2.gz MAELMRLXHVLCPK-FKCDAAJZSA-N 1 0 479.632 4.576 20 0 JJADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748289 720837207 /nfs/dbraw/zinc/83/72/07/720837207.db2.gz SXCUKBITBKPMLH-ABSDTBQOSA-N 1 0 487.435 4.521 20 0 JJADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748304 720837265 /nfs/dbraw/zinc/83/72/65/720837265.db2.gz SXCUKBITBKPMLH-SQGPQFPESA-N 1 0 487.435 4.521 20 0 JJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742474 720844997 /nfs/dbraw/zinc/84/49/97/720844997.db2.gz GQJUUSSFIWCYPU-GRDNDAEWSA-N 1 0 491.801 4.558 20 0 JJADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746551 720845799 /nfs/dbraw/zinc/84/57/99/720845799.db2.gz OLKGYZHPMKCIAN-IBGGVINMSA-N 1 0 464.617 4.873 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164750274 720845937 /nfs/dbraw/zinc/84/59/37/720845937.db2.gz WYSCEFBHGBUKPJ-CLCZQPDDSA-N 1 0 479.632 4.576 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)s1 ZINC001164740568 720850716 /nfs/dbraw/zinc/85/07/16/720850716.db2.gz CTOJXHHKDSTBHH-ZFGGDYGUSA-N 1 0 485.661 4.638 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164753087 720851421 /nfs/dbraw/zinc/85/14/21/720851421.db2.gz WIGGRJSFVGZRIB-VDKIKQQVSA-N 1 0 497.672 4.843 20 0 JJADRO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2n1 ZINC001164751134 720856683 /nfs/dbraw/zinc/85/66/83/720856683.db2.gz QHMGHXUVKQLJGW-QWFCFKBJSA-N 1 0 457.409 4.513 20 0 JJADRO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2n1 ZINC001164751133 720856783 /nfs/dbraw/zinc/85/67/83/720856783.db2.gz QHMGHXUVKQLJGW-NLWGTHIKSA-N 1 0 457.409 4.513 20 0 JJADRO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc12 ZINC001164747145 720857019 /nfs/dbraw/zinc/85/70/19/720857019.db2.gz HZPWCMYHWILWHL-LLGFUMIMSA-N 1 0 457.409 4.513 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164753058 720861716 /nfs/dbraw/zinc/86/17/16/720861716.db2.gz VSUICSNHJFEIMZ-SFYKDHMMSA-N 1 0 491.030 4.520 20 0 JJADRO Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164754318 720871591 /nfs/dbraw/zinc/87/15/91/720871591.db2.gz REEXZNFSPFAKHB-UPVQGACJSA-N 1 0 476.999 4.738 20 0 JJADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752898 720872892 /nfs/dbraw/zinc/87/28/92/720872892.db2.gz NJMNZAIAMYYYSG-CVDCTZTESA-N 1 0 480.962 4.569 20 0 JJADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(Cl)c(Cl)c4)c4ccccc43)CC[C@@H]2C1 ZINC001164863928 720882631 /nfs/dbraw/zinc/88/26/31/720882631.db2.gz UYOFKQAVFUDSKM-JPYJTQIMSA-N 1 0 487.431 4.777 20 0 JJADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754432 720882824 /nfs/dbraw/zinc/88/28/24/720882824.db2.gz IWBTZJRZVZZSHZ-AMGIVPHBSA-N 1 0 478.040 4.742 20 0 JJADRO c1cn(C2CCCC2)c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164757446 720893223 /nfs/dbraw/zinc/89/32/23/720893223.db2.gz USUYSICRRVVRTL-PWUYWRBVSA-N 1 0 486.664 4.697 20 0 JJADRO Cc1c(Cl)cnc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749491 720903799 /nfs/dbraw/zinc/90/37/99/720903799.db2.gz AFOYLAGHJSNUHA-HYBUGGRVSA-N 1 0 461.437 4.847 20 0 JJADRO Cc1c(Cl)cnc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749492 720904251 /nfs/dbraw/zinc/90/42/51/720904251.db2.gz AFOYLAGHJSNUHA-RDPSFJRHSA-N 1 0 461.437 4.847 20 0 JJADRO Cc1c[nH]c2nc(Cl)cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754663 720907033 /nfs/dbraw/zinc/90/70/33/720907033.db2.gz WWCJPVUVIFFCKJ-HFZDXXHNSA-N 1 0 466.029 4.675 20 0 JJADRO c1ccc(COc2cccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1 ZINC001164752922 720909052 /nfs/dbraw/zinc/90/90/52/720909052.db2.gz PKCYUOLOBQFUOT-POURPWNDSA-N 1 0 484.644 4.811 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C2CC2)n1 ZINC001164747801 720937038 /nfs/dbraw/zinc/93/70/38/720937038.db2.gz DJYMSTFMVZSMLJ-CJFMBICVSA-N 1 0 488.463 4.811 20 0 JJADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863245 720937309 /nfs/dbraw/zinc/93/73/09/720937309.db2.gz ZBEQYGOQCBMDIT-HXUWFJFHSA-N 1 0 486.620 4.835 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)[C@@H]2C ZINC001164859763 720991618 /nfs/dbraw/zinc/99/16/18/720991618.db2.gz MLMINDRSOZDSDU-HXUWFJFHSA-N 1 0 461.610 4.802 20 0 JJADRO COc1ccc(-c2csc3ncnc(N4CCn5c(C[N@H+](C)C(C)C)cnc5[C@@H]4C)c23)cc1 ZINC001164857200 721001107 /nfs/dbraw/zinc/00/11/07/721001107.db2.gz DAJLDYFQJLJIEZ-KRWDZBQOSA-N 1 0 462.623 4.985 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)[C@@H]2C ZINC001164857991 721011168 /nfs/dbraw/zinc/01/11/68/721011168.db2.gz FAOZISCAFVTUJE-MWTRTKDXSA-N 1 0 458.969 4.542 20 0 JJADRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164861547 721016398 /nfs/dbraw/zinc/01/63/98/721016398.db2.gz OVDMEWAHJTVVHE-LJQANCHMSA-N 1 0 453.034 4.956 20 0 JJADRO COc1ccccc1-c1cc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c(Cl)nn1 ZINC001164858074 721022910 /nfs/dbraw/zinc/02/29/10/721022910.db2.gz FUERKONETWODGR-MRXNPFEDSA-N 1 0 490.986 4.968 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164759846 721031855 /nfs/dbraw/zinc/03/18/55/721031855.db2.gz AEKAXTFDPCABKP-WEWMWRJBSA-N 1 0 450.627 4.758 20 0 JJADRO Cc1ccc(C[NH+]2CCC3(CCN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)CC3)CC2)cc1 ZINC001164759950 721046145 /nfs/dbraw/zinc/04/61/45/721046145.db2.gz RVKSDUNIBCSPEY-UHFFFAOYSA-N 1 0 460.960 4.694 20 0 JJADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760555 721047157 /nfs/dbraw/zinc/04/71/57/721047157.db2.gz WBSXIUKBTWBJOW-IBGZPJMESA-N 1 0 457.018 4.598 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3CC)[C@H]2COCc2ccccc2)nc1 ZINC001164771573 721049077 /nfs/dbraw/zinc/04/90/77/721049077.db2.gz MVQSJFKHRRZHCM-AZGAKELHSA-N 1 0 474.653 4.951 20 0 JJADRO Clc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164865682 721084511 /nfs/dbraw/zinc/08/45/11/721084511.db2.gz OGZMMXVLZGBRNW-DHIUTWEWSA-N 1 0 471.992 4.825 20 0 JJADRO Clc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164865685 721084564 /nfs/dbraw/zinc/08/45/64/721084564.db2.gz OGZMMXVLZGBRNW-XZOQPEGZSA-N 1 0 471.992 4.825 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@H]3C2)cn1 ZINC001164769466 721097034 /nfs/dbraw/zinc/09/70/34/721097034.db2.gz ORECQLRQYWQGEV-NHCUHLMSSA-N 1 0 457.956 4.639 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164767427 721100195 /nfs/dbraw/zinc/10/01/95/721100195.db2.gz LSCFQPVYOZCCCR-RTBURBONSA-N 1 0 476.987 4.781 20 0 JJADRO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864415 721102542 /nfs/dbraw/zinc/10/25/42/721102542.db2.gz FVFHNASMSNZBOB-DHIUTWEWSA-N 1 0 489.982 4.964 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc(-c5ccc(-c6ccccc6)cc5)n4)C[C@@H]3C2)cn1 ZINC001164772788 721134819 /nfs/dbraw/zinc/13/48/19/721134819.db2.gz WXWGCZJSDGVWNQ-RPWUZVMVSA-N 1 0 486.023 4.551 20 0 JJADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164762130 721153894 /nfs/dbraw/zinc/15/38/94/721153894.db2.gz CCATUTNQZIATPZ-LEWJYISDSA-N 1 0 489.023 4.651 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@H]3C2)cn1 ZINC001164769073 721154994 /nfs/dbraw/zinc/15/49/94/721154994.db2.gz PHYMBTHHVFFANH-JWQCQUIFSA-N 1 0 453.590 4.506 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)s1 ZINC001164871481 721159728 /nfs/dbraw/zinc/15/97/28/721159728.db2.gz DWVFHNFGHQGSHN-LEWJYISDSA-N 1 0 457.603 4.541 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164873622 721160464 /nfs/dbraw/zinc/16/04/64/721160464.db2.gz JHKRMRLWRATGSI-XZOQPEGZSA-N 1 0 469.614 4.747 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164873621 721161002 /nfs/dbraw/zinc/16/10/02/721161002.db2.gz JHKRMRLWRATGSI-PKTZIBPZSA-N 1 0 469.614 4.747 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@H]3C2)cn1 ZINC001164774417 721179584 /nfs/dbraw/zinc/17/95/84/721179584.db2.gz YZXVLQWLHGPQFB-XZOQPEGZSA-N 1 0 494.039 4.529 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164763267 721217660 /nfs/dbraw/zinc/21/76/60/721217660.db2.gz FBKLSJTUVXMNJQ-VXKWHMMOSA-N 1 0 470.646 4.928 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164869152 721225048 /nfs/dbraw/zinc/22/50/48/721225048.db2.gz CGETZPHOVWWIJS-LOSJGSFVSA-N 1 0 493.696 4.505 20 0 JJADRO O=C(NC[C@@H]1CCC[C@]2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164874155 721255975 /nfs/dbraw/zinc/25/59/75/721255975.db2.gz JHEKYKQPTHYERN-JTSJOTPCSA-N 1 0 496.655 4.588 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164879782 721259825 /nfs/dbraw/zinc/25/98/25/721259825.db2.gz YXPVPXKZOPTIBC-INNMJMHTSA-N 1 0 462.638 4.577 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ccnn3C[C@@H](COCc3csc(C)n3)C2)nc1 ZINC001164876314 721332358 /nfs/dbraw/zinc/33/23/58/721332358.db2.gz NYGKOXSREBHISU-SQJMNOBHSA-N 1 0 480.682 4.833 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cc(F)ccc43)C2)C1 ZINC001164777767 721332317 /nfs/dbraw/zinc/33/23/17/721332317.db2.gz QKVDBFMOTLMSPV-XMMPIXPASA-N 1 0 458.965 4.751 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc4nc(Cl)cnc4cc3Cl)C2)C1 ZINC001164779044 721347783 /nfs/dbraw/zinc/34/77/83/721347783.db2.gz PMPZDKXHFUDAMC-HSZRJFAPSA-N 1 0 476.408 4.660 20 0 JJADRO COc1ccc2c(c1)nc(Cl)cc2N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778808 721349539 /nfs/dbraw/zinc/34/95/39/721349539.db2.gz OTHVOQKFGSDMGM-RUZDIDTESA-N 1 0 471.001 4.621 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nnc3-c3ccccc3)C2)C1 ZINC001164779688 721350610 /nfs/dbraw/zinc/35/06/10/721350610.db2.gz UWASQMAYXUZQMD-RUZDIDTESA-N 1 0 468.001 4.521 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)c4ccc(Cl)cc4n3)C2)C1 ZINC001164784310 721357694 /nfs/dbraw/zinc/35/76/94/721357694.db2.gz RGYBWJRKPPOQHW-RUZDIDTESA-N 1 0 455.002 4.920 20 0 JJADRO COc1ccc2c(cc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780691 721358896 /nfs/dbraw/zinc/35/88/96/721358896.db2.gz GOAJBLVUEIPKDU-RUZDIDTESA-N 1 0 471.001 4.621 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(Cl)c(Cl)cc43)C2)C1 ZINC001164782289 721360779 /nfs/dbraw/zinc/36/07/79/721360779.db2.gz MIMURAWOGPKKKJ-HSZRJFAPSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4cc(F)c(Cl)cc43)C2)C1 ZINC001164784268 721373543 /nfs/dbraw/zinc/37/35/43/721373543.db2.gz RCNVMBIMSVTIHF-XMMPIXPASA-N 1 0 458.965 4.751 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cccc(C)c43)C2)C1 ZINC001164786991 721374081 /nfs/dbraw/zinc/37/40/81/721374081.db2.gz WNWNWHQAWRMAHM-VWLOTQADSA-N 1 0 455.002 4.920 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C3)O2)CC1 ZINC001164890500 721396244 /nfs/dbraw/zinc/39/62/44/721396244.db2.gz NQTPZXGHEBGFCX-ZCYQVOJMSA-N 1 0 491.026 4.712 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164886789 721398291 /nfs/dbraw/zinc/39/82/91/721398291.db2.gz GIBPXZDIGQBJBJ-FREGXXQWSA-N 1 0 483.660 4.576 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164892465 721409470 /nfs/dbraw/zinc/40/94/70/721409470.db2.gz YJBMYLCWTJJNJK-FIPFOOKPSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887711 721419910 /nfs/dbraw/zinc/41/99/10/721419910.db2.gz MNVBXRNOPHPDDI-LXFBAYGMSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887712 721419985 /nfs/dbraw/zinc/41/99/85/721419985.db2.gz MNVBXRNOPHPDDI-NEKDWFFYSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164892319 721443913 /nfs/dbraw/zinc/44/39/13/721443913.db2.gz ICXLXXBFDVFPSR-POURPWNDSA-N 1 0 489.708 4.957 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164898708 721444354 /nfs/dbraw/zinc/44/43/54/721444354.db2.gz WPFDZLONRIQFBS-BHBYDHKZSA-N 1 0 499.659 4.701 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164783654 721454615 /nfs/dbraw/zinc/45/46/15/721454615.db2.gz CNUOTLPMRQTZBT-INIZCTEOSA-N 1 0 462.849 4.776 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164785706 721460064 /nfs/dbraw/zinc/46/00/64/721460064.db2.gz MXJNDUDHBZBANZ-OAQYLSRUSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164785728 721460248 /nfs/dbraw/zinc/46/02/48/721460248.db2.gz NERJVFGOUDLDMN-JOCHJYFZSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(SC)cnc1Cl)CC2 ZINC001164787908 721464945 /nfs/dbraw/zinc/46/49/45/721464945.db2.gz SWEWVKGAYNPGCJ-GOSISDBHSA-N 1 0 490.060 4.736 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164789883 721473875 /nfs/dbraw/zinc/47/38/75/721473875.db2.gz OYKBXFSEJCBWDS-OAQYLSRUSA-N 1 0 484.031 4.589 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](NC(=O)NC)c4cc(C)ccc43)CC2)nc1 ZINC001164900936 721492982 /nfs/dbraw/zinc/49/29/82/721492982.db2.gz SPWSRZSYPKUZSK-DQEYMECFSA-N 1 0 461.654 4.849 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)CC2 ZINC001164795020 721499587 /nfs/dbraw/zinc/49/95/87/721499587.db2.gz AOJDWNGEHZRVCE-UHFFFAOYSA-N 1 0 477.613 4.581 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1C(=O)N1CCc3ccccc31)CC2 ZINC001164795009 721500439 /nfs/dbraw/zinc/50/04/39/721500439.db2.gz AITFUKUZXPWXKJ-UHFFFAOYSA-N 1 0 467.617 4.561 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164795705 721500798 /nfs/dbraw/zinc/50/07/98/721500798.db2.gz JTOXRRAEVUPJCM-UHFFFAOYSA-N 1 0 468.045 4.683 20 0 JJADRO COc1ccc(Oc2cc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc(C)n2)cc1 ZINC001164797000 721502911 /nfs/dbraw/zinc/50/29/11/721502911.db2.gz WLSMMHCWFXWAST-UHFFFAOYSA-N 1 0 459.594 4.862 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)nc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164810788 721577467 /nfs/dbraw/zinc/57/74/67/721577467.db2.gz WEIVLNVKZTZMKV-NXCFDTQHSA-N 1 0 469.564 4.699 20 0 JJADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810113 721589462 /nfs/dbraw/zinc/58/94/62/721589462.db2.gz UJGKVFZOMJJNGE-ZRCGQRJVSA-N 1 0 458.940 4.738 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1Cl ZINC001164908490 721694148 /nfs/dbraw/zinc/69/41/48/721694148.db2.gz ZLJAPAOFZWMZKF-OAQYLSRUSA-N 1 0 485.362 4.698 20 0 JJADRO Fc1cccc(Oc2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164908728 721718592 /nfs/dbraw/zinc/71/85/92/721718592.db2.gz YUSCYFLTRUXKPV-QHCPKHFHSA-N 1 0 455.484 4.541 20 0 JJADRO FC1(F)CCN(c2ncnc3[nH]c4ccc(Cl)cc4c32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907376 721720115 /nfs/dbraw/zinc/72/01/15/721720115.db2.gz RGSSNWGNEGKOFP-QHCPKHFHSA-N 1 0 468.939 4.897 20 0 JJADRO Cc1ccc(-c2nc3c(ncnc3N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)o2)cc1 ZINC001164909767 721725512 /nfs/dbraw/zinc/72/55/12/721725512.db2.gz DMSVPDHVRZBXHP-VWLOTQADSA-N 1 0 476.531 4.726 20 0 JJADRO Fc1ccc(Oc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164910553 721728762 /nfs/dbraw/zinc/72/87/62/721728762.db2.gz FXNUVAIPKQCIEB-HSZRJFAPSA-N 1 0 455.484 4.541 20 0 JJADRO FC1(F)CCN(c2ncc(Cl)nc2-c2ccccc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911244 721728985 /nfs/dbraw/zinc/72/89/85/721728985.db2.gz JJEWEJLXEZJNLB-HSZRJFAPSA-N 1 0 455.940 4.930 20 0 JJADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913543 721736252 /nfs/dbraw/zinc/73/62/52/721736252.db2.gz WXJAIDBMRRLGIP-SFHVURJKSA-N 1 0 479.305 4.946 20 0 JJADRO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1-c1ccccc1F ZINC001164912772 721736402 /nfs/dbraw/zinc/73/64/02/721736402.db2.gz QAFBJARXUSYORH-DEOSSOPVSA-N 1 0 453.512 4.724 20 0 JJADRO FC(F)(N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164909147 721736617 /nfs/dbraw/zinc/73/66/17/721736617.db2.gz CLOVEEBMMZOHJE-FQEVSTJZSA-N 1 0 468.926 4.988 20 0 JJADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164909966 721751665 /nfs/dbraw/zinc/75/16/65/721751665.db2.gz VHFSHSCLJKWFAY-UHFFFAOYSA-N 1 0 479.628 4.823 20 0 JJADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165014132 721767225 /nfs/dbraw/zinc/76/72/25/721767225.db2.gz DKUHZINKEXXGHQ-UHFFFAOYSA-N 1 0 499.905 4.753 20 0 JJADRO CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028539 721802362 /nfs/dbraw/zinc/80/23/62/721802362.db2.gz ZEZRSMUSAIXEIN-UAGQMJEPSA-N 1 0 453.990 4.529 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@@H]21 ZINC001165026962 721805462 /nfs/dbraw/zinc/80/54/62/721805462.db2.gz SYDGXKIHUSFJFJ-IEZKXTBUSA-N 1 0 490.051 4.797 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C[C@@H]21 ZINC001165018706 721806801 /nfs/dbraw/zinc/80/68/01/721806801.db2.gz BZTYFSNRSADTTM-ACIOBRDBSA-N 1 0 488.039 4.660 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)C[C@H]21 ZINC001165026802 721813486 /nfs/dbraw/zinc/81/34/86/721813486.db2.gz RFZAWXFWZDMAGZ-MDNUFGMLSA-N 1 0 464.013 4.841 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)C[C@@H]21 ZINC001165029005 721814833 /nfs/dbraw/zinc/81/48/33/721814833.db2.gz YPHSXYUJYIJSLO-OUIFVKKZSA-N 1 0 470.596 4.751 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@@H]21 ZINC001165025957 721816600 /nfs/dbraw/zinc/81/66/00/721816600.db2.gz OMUGZPXQEQDZDG-PIPMEXSNSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@H]21 ZINC001165025956 721816671 /nfs/dbraw/zinc/81/66/71/721816671.db2.gz OMUGZPXQEQDZDG-NQSCKRDGSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@@H]21 ZINC001165025958 721816829 /nfs/dbraw/zinc/81/68/29/721816829.db2.gz OMUGZPXQEQDZDG-RBDMOPTHSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@H]21 ZINC001165022715 721817271 /nfs/dbraw/zinc/81/72/71/721817271.db2.gz GVRJTDGRGMYRQR-YRISNDGFSA-N 1 0 457.956 4.960 20 0 JJADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165026295 721821480 /nfs/dbraw/zinc/82/14/80/721821480.db2.gz OQJYEBNRMIHPMZ-MDKPJZGXSA-N 1 0 478.971 4.589 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)C[C@@H]21 ZINC001165023998 721823651 /nfs/dbraw/zinc/82/36/51/721823651.db2.gz JGAJPOCHWSYAHH-PMWMKWCKSA-N 1 0 450.590 4.824 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)C[C@H]21 ZINC001165029063 721824592 /nfs/dbraw/zinc/82/45/92/721824592.db2.gz WURDTMLGZGSHNG-CEMLEFRQSA-N 1 0 456.619 4.885 20 0 JJADRO COc1ccc(Oc2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc(C)n2)cc1 ZINC001165019156 721829151 /nfs/dbraw/zinc/82/91/51/721829151.db2.gz BFALVMCVSNIPRT-BUUDZMLXSA-N 1 0 459.594 4.718 20 0 JJADRO COc1ccc(Oc2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc(C)n2)cc1 ZINC001165019157 721829298 /nfs/dbraw/zinc/82/92/98/721829298.db2.gz BFALVMCVSNIPRT-KSNOWIBYSA-N 1 0 459.594 4.718 20 0 JJADRO COc1ccc(Cc2c(C)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2C)cc1 ZINC001165022332 721829753 /nfs/dbraw/zinc/82/97/53/721829753.db2.gz GXMRIUJCSRHGFF-MLKSZZLFSA-N 1 0 471.649 4.825 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@@H]21 ZINC001165028230 721830251 /nfs/dbraw/zinc/83/02/51/721830251.db2.gz UYXRHOYFFAASPN-XKGZKEIXSA-N 1 0 479.959 4.504 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933568 721879131 /nfs/dbraw/zinc/87/91/31/721879131.db2.gz MYMLUDMBTJBXPQ-GOTSBHOMSA-N 1 0 470.646 4.635 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934411 721879474 /nfs/dbraw/zinc/87/94/74/721879474.db2.gz RLNLGODVTXKLMM-RTWAWAEBSA-N 1 0 479.719 4.687 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930935 721879502 /nfs/dbraw/zinc/87/95/02/721879502.db2.gz DLCXIWCEPPKEJL-XZOQPEGZSA-N 1 0 470.646 4.635 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932636 721880011 /nfs/dbraw/zinc/88/00/11/721880011.db2.gz JUQDQFSEHZHSPV-RTWAWAEBSA-N 1 0 496.750 4.620 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932635 721880081 /nfs/dbraw/zinc/88/00/81/721880081.db2.gz JUQDQFSEHZHSPV-NHCUHLMSSA-N 1 0 496.750 4.620 20 0 JJADRO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@@H]5[C@@H]4CC[N@H+]5CCN(C)C)c23)cc1 ZINC001164935059 721880111 /nfs/dbraw/zinc/88/01/11/721880111.db2.gz VERRTMCQHVIRBY-RPWUZVMVSA-N 1 0 484.673 4.943 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934428 721884319 /nfs/dbraw/zinc/88/43/19/721884319.db2.gz RPEBISLUDVGJGW-YADHBBJMSA-N 1 0 456.421 4.818 20 0 JJADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929271 721890002 /nfs/dbraw/zinc/89/00/02/721890002.db2.gz AZJHOZUYSDWYAU-FCHUYYIVSA-N 1 0 471.983 4.710 20 0 JJADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929272 721890067 /nfs/dbraw/zinc/89/00/67/721890067.db2.gz AZJHOZUYSDWYAU-FGZHOGPDSA-N 1 0 471.983 4.710 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5c(F)cccc5F)nn4)CC3)C2)cc1 ZINC001164939083 721931881 /nfs/dbraw/zinc/93/18/81/721931881.db2.gz IMJZJJKUCGXTED-UHFFFAOYSA-N 1 0 450.533 4.602 20 0 JJADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC(CCc3ccccc3)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165045151 721939720 /nfs/dbraw/zinc/93/97/20/721939720.db2.gz VZODZYKJGCMTKI-XMMPIXPASA-N 1 0 478.681 4.730 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)nc1 ZINC001164959018 722027396 /nfs/dbraw/zinc/02/73/96/722027396.db2.gz HMTSRXKHNWOICB-GTNKKZTPSA-N 1 0 464.654 4.924 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)nc1 ZINC001164963589 722038734 /nfs/dbraw/zinc/03/87/34/722038734.db2.gz QOEHEDZMSPBKJR-PPLMLPQLSA-N 1 0 452.668 4.511 20 0 JJADRO CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164963267 722058898 /nfs/dbraw/zinc/05/88/98/722058898.db2.gz UXSUYMRSEQYOAT-UHFFFAOYSA-N 1 0 469.001 4.516 20 0 JJADRO COc1cccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)c1 ZINC001164963471 722060912 /nfs/dbraw/zinc/06/09/12/722060912.db2.gz ZKEAVHAOWWDWJA-UHFFFAOYSA-N 1 0 495.627 4.819 20 0 JJADRO Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164966708 722061566 /nfs/dbraw/zinc/06/15/66/722061566.db2.gz XDAQQAGTMWCJDR-UHFFFAOYSA-N 1 0 492.067 4.852 20 0 JJADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973364 722109991 /nfs/dbraw/zinc/10/99/91/722109991.db2.gz HDGWZCVVLMOHAI-UZLBHIALSA-N 1 0 494.373 4.604 20 0 JJADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973346 722110149 /nfs/dbraw/zinc/11/01/49/722110149.db2.gz HDGWZCVVLMOHAI-JXFKEZNVSA-N 1 0 494.373 4.604 20 0 JJADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981484 722122531 /nfs/dbraw/zinc/12/25/31/722122531.db2.gz UFNUOLKORDNEOJ-OXQOHEQNSA-N 1 0 494.373 4.604 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980451 722125935 /nfs/dbraw/zinc/12/59/35/722125935.db2.gz REWDLKSZGNYJJL-CUNXSJBXSA-N 1 0 483.591 4.867 20 0 JJADRO c1ccc(COc2ccc3nc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc3c2)cc1 ZINC001164983208 722126191 /nfs/dbraw/zinc/12/61/91/722126191.db2.gz YMDBCYIVRGEEHH-LITSAYRRSA-N 1 0 480.612 4.936 20 0 JJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981177 722126567 /nfs/dbraw/zinc/12/65/67/722126567.db2.gz UCCNWHMXTWSPIS-PZJWPPBQSA-N 1 0 458.940 4.555 20 0 JJADRO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975192 722130759 /nfs/dbraw/zinc/13/07/59/722130759.db2.gz FKCAVJHFHPOTAZ-SIKLNZKXSA-N 1 0 458.940 4.555 20 0 JJADRO Fc1ccc(-c2csc3ncnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164985047 722138992 /nfs/dbraw/zinc/13/89/92/722138992.db2.gz YXZZDVIVEQDSBA-NZQKXSOJSA-N 1 0 475.593 4.620 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164973229 722141396 /nfs/dbraw/zinc/14/13/96/722141396.db2.gz BNVAKLATDQXLAJ-PZJWPPBQSA-N 1 0 477.659 4.851 20 0 JJADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976258 722154049 /nfs/dbraw/zinc/15/40/49/722154049.db2.gz WJWJSARZHBIQEH-DYESRHJHSA-N 1 0 458.940 4.597 20 0 JJADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973988 722155453 /nfs/dbraw/zinc/15/54/53/722155453.db2.gz NUYBPVHSNNGFMV-XUZZJYLKSA-N 1 0 480.012 4.607 20 0 JJADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164977186 722155980 /nfs/dbraw/zinc/15/59/80/722155980.db2.gz YEVPTYQZNMXSAA-QPPBQGQZSA-N 1 0 480.012 4.607 20 0 JJADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164977194 722156314 /nfs/dbraw/zinc/15/63/14/722156314.db2.gz YEVPTYQZNMXSAA-XUZZJYLKSA-N 1 0 480.012 4.607 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971568 722159050 /nfs/dbraw/zinc/15/90/50/722159050.db2.gz BSTRDMCODGEIMK-AUSIDOKSSA-N 1 0 476.999 4.671 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)c2cc(C(=O)NC(C)C)ccc2NC3=O)nc1 ZINC001164990771 722187925 /nfs/dbraw/zinc/18/79/25/722187925.db2.gz NTIBLWMQMOHVIY-VWLOTQADSA-N 1 0 489.664 4.647 20 0 JJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c(Cl)nc(Cl)nc42)C3)c1 ZINC001164994926 722196163 /nfs/dbraw/zinc/19/61/63/722196163.db2.gz QXINFQYZOVIXIJ-FQEVSTJZSA-N 1 0 467.763 4.764 20 0 JJADRO Fc1ccc(Oc2nc(Cl)nc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164995020 722203156 /nfs/dbraw/zinc/20/31/56/722203156.db2.gz KLCCSDSQVHPCDX-QHCPKHFHSA-N 1 0 457.912 4.840 20 0 JJADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995978 722205035 /nfs/dbraw/zinc/20/50/35/722205035.db2.gz QZFQXTIHYDYBJH-MRDYAVBSSA-N 1 0 494.611 4.636 20 0 JJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)C3)c1 ZINC001164996614 722210032 /nfs/dbraw/zinc/21/00/32/722210032.db2.gz UKQMJXQMNLRMJL-MHZLTWQESA-N 1 0 460.553 4.689 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccc(F)cc3)nc3ccc(Cl)cc31)CCC2 ZINC001165000212 722252321 /nfs/dbraw/zinc/25/23/21/722252321.db2.gz MDIBCUNKXODOAY-UHFFFAOYSA-N 1 0 495.002 4.774 20 0 JJADRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001359712112 1064260484 /nfs/dbraw/zinc/26/04/84/1064260484.db2.gz GPIXNZGRERXMQL-UHFFFAOYSA-N 1 0 488.652 4.558 20 0 JJADRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359712210 1064261127 /nfs/dbraw/zinc/26/11/27/1064261127.db2.gz KBNQOXSBKDLDJS-UHFFFAOYSA-N 1 0 475.685 4.834 20 0 JJADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850854 1064261667 /nfs/dbraw/zinc/26/16/67/1064261667.db2.gz SAXUWBMZFTZMMJ-SQJMNOBHSA-N 1 0 450.966 4.745 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001545857024 1064265460 /nfs/dbraw/zinc/26/54/60/1064265460.db2.gz NCOUGORGMNBUKJ-RTWAWAEBSA-N 1 0 466.674 4.932 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001545857240 1064265961 /nfs/dbraw/zinc/26/59/61/1064265961.db2.gz RYZUKNUVRLBINL-NTKDMRAZSA-N 1 0 466.674 4.788 20 0 JJADRO CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359719072 1064266315 /nfs/dbraw/zinc/26/63/15/1064266315.db2.gz AWPXXNFXUILAFA-VWNXMTODSA-N 1 0 496.700 4.759 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001545858970 1064267093 /nfs/dbraw/zinc/26/70/93/1064267093.db2.gz AOYXYGFQSYYJKV-RFDPFLLZSA-N 1 0 472.722 4.866 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCN(c2ccccc2F)C1 ZINC001359719893 1064267268 /nfs/dbraw/zinc/26/72/68/1064267268.db2.gz BBNUDQYZUAOBLB-NRFANRHFSA-N 1 0 456.654 4.625 20 0 JJADRO CC(C)c1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359719793 1064267472 /nfs/dbraw/zinc/26/74/72/1064267472.db2.gz YDPNJBGWAHYQBB-UHFFFAOYSA-N 1 0 487.762 4.600 20 0 JJADRO CC(C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001359720791 1064268137 /nfs/dbraw/zinc/26/81/37/1064268137.db2.gz DSHOFJLGXMDIAW-WXFUMESZSA-N 1 0 452.691 4.590 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001545862206 1064270137 /nfs/dbraw/zinc/27/01/37/1064270137.db2.gz CHFNKTSIZYNAML-SFTDATJTSA-N 1 0 460.711 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001545862759 1064270652 /nfs/dbraw/zinc/27/06/52/1064270652.db2.gz RUUYRAXBJXBBBQ-ISKFKSNPSA-N 1 0 480.701 4.906 20 0 JJADRO CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359723670 1064270693 /nfs/dbraw/zinc/27/06/93/1064270693.db2.gz WPYIBYYMIQLINK-DHIUTWEWSA-N 1 0 461.601 4.768 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001545862760 1064270739 /nfs/dbraw/zinc/27/07/39/1064270739.db2.gz RUUYRAXBJXBBBQ-LADGPHEKSA-N 1 0 480.701 4.906 20 0 JJADRO CC(C)c1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359725039 1064272781 /nfs/dbraw/zinc/27/27/81/1064272781.db2.gz YYRKMXUYBCMKBR-OAQYLSRUSA-N 1 0 477.600 4.703 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001359728345 1064275428 /nfs/dbraw/zinc/27/54/28/1064275428.db2.gz BOXYGABCZHTAKL-IBGZPJMESA-N 1 0 478.504 4.629 20 0 JJADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001545867041 1064276848 /nfs/dbraw/zinc/27/68/48/1064276848.db2.gz RUJWRRMVXHCGFM-UTKZUKDTSA-N 1 0 459.403 4.938 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001545867435 1064276862 /nfs/dbraw/zinc/27/68/62/1064276862.db2.gz BPYGJFORNGLDGH-VXKWHMMOSA-N 1 0 472.722 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001545868446 1064279312 /nfs/dbraw/zinc/27/93/12/1064279312.db2.gz QNIZPKJOJXAOCY-UXHICEINSA-N 1 0 486.730 4.653 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3)[C@H]2C)n1CCC1CC[NH+](CC)CC1 ZINC001545870413 1064283964 /nfs/dbraw/zinc/28/39/64/1064283964.db2.gz NHVQRGCYVIEOQU-PXDATVDWSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545870843 1064286288 /nfs/dbraw/zinc/28/62/88/1064286288.db2.gz YAAUGIXMRGZRQJ-FUDKSRODSA-N 1 0 498.691 4.698 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+](C)Cc1ccccc1 ZINC001359733554 1064291087 /nfs/dbraw/zinc/29/10/87/1064291087.db2.gz BGKAAWIRZNDHKH-NRFANRHFSA-N 1 0 471.447 4.793 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2ccccc2Br)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359734023 1064292687 /nfs/dbraw/zinc/29/26/87/1064292687.db2.gz LBXIGQTXOAJAGV-UGKGYDQZSA-N 1 0 478.504 4.770 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(Cc2ccsc2)n1Cc1ccccc1OCC[NH+](C)C ZINC001359736493 1064297195 /nfs/dbraw/zinc/29/71/95/1064297195.db2.gz DZXFHFKVALCXJN-QFIPXVFZSA-N 1 0 453.656 4.544 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359737583 1064298803 /nfs/dbraw/zinc/29/88/03/1064298803.db2.gz AQNBKDZEBJVIRU-MBDNFAEBSA-N 1 0 488.721 4.794 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C[NH+](C)C ZINC001359737929 1064300506 /nfs/dbraw/zinc/30/05/06/1064300506.db2.gz JLIMAKDYAHPYCH-PMACEKPBSA-N 1 0 462.683 4.563 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001545885030 1064301755 /nfs/dbraw/zinc/30/17/55/1064301755.db2.gz LGQLIZWFHKSSBJ-QFIPXVFZSA-N 1 0 472.722 4.725 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001545886881 1064303684 /nfs/dbraw/zinc/30/36/84/1064303684.db2.gz OXQUYWPLXDEUNZ-FQEVSTJZSA-N 1 0 498.691 4.719 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+](C)C(C)C)C1 ZINC001359739006 1064304563 /nfs/dbraw/zinc/30/45/63/1064304563.db2.gz JGHLTHQLAXQHFQ-MRXNPFEDSA-N 1 0 452.416 4.669 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001359739275 1064305642 /nfs/dbraw/zinc/30/56/42/1064305642.db2.gz PEHLQOZSJNZTQQ-CABCVRRESA-N 1 0 452.466 4.734 20 0 JJADRO CC(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001359739325 1064307159 /nfs/dbraw/zinc/30/71/59/1064307159.db2.gz PZWNEVKMVBIUQF-QHCPKHFHSA-N 1 0 460.066 4.708 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001359739551 1064307797 /nfs/dbraw/zinc/30/77/97/1064307797.db2.gz XAUHNKKZELQGAO-ROUUACIJSA-N 1 0 463.468 4.783 20 0 JJADRO CC(C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCCC1 ZINC001359744256 1064315617 /nfs/dbraw/zinc/31/56/17/1064315617.db2.gz CLRFZSZXRTYTSV-RUZDIDTESA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001359744786 1064317356 /nfs/dbraw/zinc/31/73/56/1064317356.db2.gz SBHCVUJOUJLPII-HSZRJFAPSA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001359745238 1064318144 /nfs/dbraw/zinc/31/81/44/1064318144.db2.gz DBBIUCNVBNRQFE-HSZRJFAPSA-N 1 0 496.744 4.663 20 0 JJADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC001434893005 1064322136 /nfs/dbraw/zinc/32/21/36/1064322136.db2.gz CKBQMXNYVKTLGO-UHFFFAOYSA-N 1 0 457.199 4.689 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001359747409 1064328057 /nfs/dbraw/zinc/32/80/57/1064328057.db2.gz APTNINUBKKTPTL-GJZUVCINSA-N 1 0 471.715 4.541 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)CCS1 ZINC001359747478 1064328178 /nfs/dbraw/zinc/32/81/78/1064328178.db2.gz CJMHSLGWGYUOCG-UGKGYDQZSA-N 1 0 496.096 4.552 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001359747555 1064329021 /nfs/dbraw/zinc/32/90/21/1064329021.db2.gz DOLZSHPXGLABHP-PZJWPPBQSA-N 1 0 461.054 4.509 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](C)[NH+]2CCCCC2)CCS1 ZINC001359747582 1064329678 /nfs/dbraw/zinc/32/96/78/1064329678.db2.gz DZCNYAUIWQQPDV-ICSRJNTNSA-N 1 0 463.095 4.836 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)[N@H+](C)C2CC2)CCS1 ZINC001359747769 1064331430 /nfs/dbraw/zinc/33/14/30/1064331430.db2.gz IALWZRQDLINLAY-QRWLVFNGSA-N 1 0 496.494 4.907 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC001359752436 1064340879 /nfs/dbraw/zinc/34/08/79/1064340879.db2.gz SPZYNJIRQFGZIU-XMMPIXPASA-N 1 0 453.675 4.762 20 0 JJADRO CC(C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCS[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001359752798 1064341639 /nfs/dbraw/zinc/34/16/39/1064341639.db2.gz XZVDROWBDXLXRU-XZOQPEGZSA-N 1 0 477.669 4.845 20 0 JJADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC001434918657 1064345763 /nfs/dbraw/zinc/34/57/63/1064345763.db2.gz UQDYONVRDCDUMV-UHFFFAOYSA-N 1 0 456.999 4.819 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@H+](C)C2CCCCC2)CCO1 ZINC001359754929 1064345732 /nfs/dbraw/zinc/34/57/32/1064345732.db2.gz OTEYYUFVHKANDT-RUZDIDTESA-N 1 0 453.675 4.579 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC001434921093 1064348752 /nfs/dbraw/zinc/34/87/52/1064348752.db2.gz NVEQKDWQWINTAX-SZTZYQKNSA-N 1 0 455.521 4.939 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+](C)C2CCCCC2)CCO1 ZINC001359756422 1064354193 /nfs/dbraw/zinc/35/41/93/1064354193.db2.gz QZSUSWWJQWHZSJ-XMMPIXPASA-N 1 0 473.637 4.512 20 0 JJADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cccn4ncc(Br)c34)ccc21 ZINC001434947369 1064368100 /nfs/dbraw/zinc/36/81/00/1064368100.db2.gz WCLOOVFMPNYKCK-UHFFFAOYSA-N 1 0 454.372 4.646 20 0 JJADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)Cc3cc(OC)ccc3Br)ccc21 ZINC001434947624 1064368187 /nfs/dbraw/zinc/36/81/87/1064368187.db2.gz YUCFXGUHICHJQW-UHFFFAOYSA-N 1 0 458.400 4.935 20 0 JJADRO CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001359760765 1064370318 /nfs/dbraw/zinc/37/03/18/1064370318.db2.gz YXKQGTRXUMQQSM-OZXSUGGESA-N 1 0 471.665 4.626 20 0 JJADRO CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359761421 1064371783 /nfs/dbraw/zinc/37/17/83/1064371783.db2.gz HFEUZBBQDXFXIS-SIKLNZKXSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359762116 1064374238 /nfs/dbraw/zinc/37/42/38/1064374238.db2.gz QEBMQIGVTLUDQM-JTHBVZDNSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001359765193 1064386746 /nfs/dbraw/zinc/38/67/46/1064386746.db2.gz ROJSVCDNFFQUBW-IFMALSPDSA-N 1 0 473.637 4.683 20 0 JJADRO CC(C)C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001359765442 1064387467 /nfs/dbraw/zinc/38/74/67/1064387467.db2.gz WUIKJDFSUBXGOE-IRLDBZIGSA-N 1 0 489.108 4.710 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001359765298 1064387510 /nfs/dbraw/zinc/38/75/10/1064387510.db2.gz ULVNOTUIAFQBMV-RCLSDMTESA-N 1 0 463.667 4.864 20 0 JJADRO CC(C)CC(=O)Nc1cccc(Cn2c(N3CC[C@H]([NH+]4CCCCC4)C3)nnc2C(C)(C)C)c1 ZINC001359765336 1064387587 /nfs/dbraw/zinc/38/75/87/1064387587.db2.gz VAZBEBKNNWVDLL-QHCPKHFHSA-N 1 0 466.674 4.673 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccon1)[NH+](C)C ZINC001359766183 1064390158 /nfs/dbraw/zinc/39/01/58/1064390158.db2.gz JBULFYRQWXHDNQ-FXAWDEMLSA-N 1 0 456.660 4.732 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCCOC1)[NH+](C)C ZINC001359766047 1064390214 /nfs/dbraw/zinc/39/02/14/1064390214.db2.gz HHXVPPBKYOWQAU-RBUKOAKNSA-N 1 0 478.479 4.547 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCCOC1)[NH+](C)C ZINC001359766046 1064390244 /nfs/dbraw/zinc/39/02/44/1064390244.db2.gz HHXVPPBKYOWQAU-OALUTQOASA-N 1 0 478.479 4.547 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCCCO1)[NH+](C)C ZINC001359766263 1064390999 /nfs/dbraw/zinc/39/09/99/1064390999.db2.gz KKGSXOUCCQILGL-MOPGFXCFSA-N 1 0 496.469 4.828 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(F)(F)C1)[NH+](C)C ZINC001359766424 1064392068 /nfs/dbraw/zinc/39/20/68/1064392068.db2.gz NNQDBYVCBITOBQ-QGZVFWFLSA-N 1 0 456.379 4.529 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001359766519 1064392653 /nfs/dbraw/zinc/39/26/53/1064392653.db2.gz PCUSNLCEAWAWFK-BZUAXINKSA-N 1 0 454.482 4.838 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CCCO)CC1)[NH+](C)C ZINC001359766993 1064395104 /nfs/dbraw/zinc/39/51/04/1064395104.db2.gz YIYNLICYHTYMSS-JOCHJYFZSA-N 1 0 453.631 4.657 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)[NH+](C)C ZINC001359766969 1064395168 /nfs/dbraw/zinc/39/51/68/1064395168.db2.gz YAXDUGWSUBEDBO-FCEUIQTBSA-N 1 0 490.490 4.689 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359767421 1064395984 /nfs/dbraw/zinc/39/59/84/1064395984.db2.gz HNTIUHAPFJHHGO-OALUTQOASA-N 1 0 491.080 4.678 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)[NH+](C)C ZINC001359767199 1064396111 /nfs/dbraw/zinc/39/61/11/1064396111.db2.gz CLEVYLKPJDWZEW-AVRDEDQJSA-N 1 0 475.012 4.620 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001359767664 1064397002 /nfs/dbraw/zinc/39/70/02/1064397002.db2.gz MJAUPMIGVBAWDJ-QHCPKHFHSA-N 1 0 478.616 4.555 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cscn1)[NH+](C)C ZINC001359768021 1064397244 /nfs/dbraw/zinc/39/72/44/1064397244.db2.gz SBIWBSCLPFADBN-FQEVSTJZSA-N 1 0 465.627 4.669 20 0 JJADRO COC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c(Cl)c1 ZINC001434980661 1064397206 /nfs/dbraw/zinc/39/72/06/1064397206.db2.gz DXYXYXMLSVLARG-UHFFFAOYSA-N 1 0 458.946 4.585 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N(C)CCc1ccc(Br)cc1)[NH+](C)C ZINC001359768165 1064397674 /nfs/dbraw/zinc/39/76/74/1064397674.db2.gz VMHVOHIMVUWXRH-JOCHJYFZSA-N 1 0 485.474 4.758 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001359769176 1064399134 /nfs/dbraw/zinc/39/91/34/1064399134.db2.gz LWRAPIHEJDRVJG-TYPHKJRUSA-N 1 0 496.469 4.668 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)[NH+](C)C ZINC001359769727 1064400255 /nfs/dbraw/zinc/40/02/55/1064400255.db2.gz UDYUUZPLUBLHBT-QPTUXGOLSA-N 1 0 485.648 4.734 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(Cc1ccco1)C(C)C)[NH+](C)C ZINC001359770454 1064401982 /nfs/dbraw/zinc/40/19/82/1064401982.db2.gz GAQPDYZTBBQTNS-HYBUGGRVSA-N 1 0 467.614 4.775 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1c(F)cccc1Cl)[NH+](C)C ZINC001359770308 1064402003 /nfs/dbraw/zinc/40/20/03/1064402003.db2.gz CNYRYRGURHTJSI-LJQANCHMSA-N 1 0 459.013 4.669 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1)[NH+](C)C ZINC001359770758 1064402571 /nfs/dbraw/zinc/40/25/71/1064402571.db2.gz LIBCDUWHPCCAGZ-UYAOXDASSA-N 1 0 481.582 4.995 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001359771143 1064403627 /nfs/dbraw/zinc/40/36/27/1064403627.db2.gz RCKVKOWXACDYFD-OFNKIYASSA-N 1 0 489.636 4.763 20 0 JJADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359771354 1064404231 /nfs/dbraw/zinc/40/42/31/1064404231.db2.gz VGBJQYBTXPPAAS-FGZHOGPDSA-N 1 0 492.753 4.926 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1)[NH+](C)C ZINC001359771332 1064404262 /nfs/dbraw/zinc/40/42/62/1064404262.db2.gz UTSYRKRTJUXNRO-QHCPKHFHSA-N 1 0 484.092 4.616 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001359771330 1064404425 /nfs/dbraw/zinc/40/44/25/1064404425.db2.gz UTSMBEOYGLZURA-XMMPIXPASA-N 1 0 484.092 4.612 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001359771144 1064404451 /nfs/dbraw/zinc/40/44/51/1064404451.db2.gz RCKVKOWXACDYFD-REWPJTCUSA-N 1 0 489.636 4.763 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccccc1)[NH+](C)C ZINC001359771408 1064405160 /nfs/dbraw/zinc/40/51/60/1064405160.db2.gz WMSXBDMLYSZXDZ-ZJSXRUAMSA-N 1 0 459.642 4.690 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001359771452 1064405176 /nfs/dbraw/zinc/40/51/76/1064405176.db2.gz XNOIRMSDNHXPLJ-SQJMNOBHSA-N 1 0 498.716 4.929 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCc2ccc(Br)cc2C1)[NH+](C)C ZINC001359771393 1064405212 /nfs/dbraw/zinc/40/52/12/1064405212.db2.gz WFWXMZOPOSONAN-HSZRJFAPSA-N 1 0 497.485 4.565 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)C1)[NH+](C)C ZINC001359772227 1064407268 /nfs/dbraw/zinc/40/72/68/1064407268.db2.gz LSCVIUSXNZAASQ-MRXNPFEDSA-N 1 0 476.399 4.986 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1)[NH+](C)C ZINC001359772362 1064408257 /nfs/dbraw/zinc/40/82/57/1064408257.db2.gz OAQVJRCNXIQXPV-KJJMTIBFSA-N 1 0 476.710 4.809 20 0 JJADRO CC(C)C[C@H](Cn1c(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001359772490 1064408294 /nfs/dbraw/zinc/40/82/94/1064408294.db2.gz QGJBOFVEQYTMOX-NHCUHLMSSA-N 1 0 478.726 4.635 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccccc1F)[NH+](C)C ZINC001359772711 1064408917 /nfs/dbraw/zinc/40/89/17/1064408917.db2.gz UULANBSCIVOJBL-WMTXJRDZSA-N 1 0 473.681 4.991 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001359772624 1064409081 /nfs/dbraw/zinc/40/90/81/1064409081.db2.gz SYCHXSJRZXWUDJ-RBZQAINGSA-N 1 0 490.092 4.709 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001359772993 1064409963 /nfs/dbraw/zinc/40/99/63/1064409963.db2.gz ZZYTWAIVZBOWPU-CMKODMSKSA-N 1 0 466.095 4.817 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359774928 1064416563 /nfs/dbraw/zinc/41/65/63/1064416563.db2.gz FJZNFJKKHJYAHT-DUWIECCJSA-N 1 0 459.704 4.676 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359775131 1064417163 /nfs/dbraw/zinc/41/71/63/1064417163.db2.gz JEJOREFZRSRTAB-NKSHGSGZSA-N 1 0 459.704 4.532 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359775130 1064417247 /nfs/dbraw/zinc/41/72/47/1064417247.db2.gz JEJOREFZRSRTAB-IPTDAMJFSA-N 1 0 459.704 4.532 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359775405 1064418135 /nfs/dbraw/zinc/41/81/35/1064418135.db2.gz PAGBWIWRXOBOTG-YADHBBJMSA-N 1 0 482.673 4.751 20 0 JJADRO CC(C)Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001359776513 1064419847 /nfs/dbraw/zinc/41/98/47/1064419847.db2.gz MJNKYJZXOUOIGM-AIZNXBIQSA-N 1 0 488.721 4.575 20 0 JJADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001359777210 1064420491 /nfs/dbraw/zinc/42/04/91/1064420491.db2.gz DOCGQLNRCFWMHH-DHIUTWEWSA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CCOc1ncccc1F ZINC001359777744 1064422234 /nfs/dbraw/zinc/42/22/34/1064422234.db2.gz QIOTXYGULKFDOB-GMAHTHKFSA-N 1 0 480.632 4.579 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359778132 1064422922 /nfs/dbraw/zinc/42/29/22/1064422922.db2.gz ZQHCCDJWDZJDMC-DGWZTRNLSA-N 1 0 453.675 4.639 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccccc2Br)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359780922 1064430429 /nfs/dbraw/zinc/43/04/29/1064430429.db2.gz NXXYFIAZGCESGF-OAQYLSRUSA-N 1 0 462.480 4.996 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccc(Br)o2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359780549 1064430575 /nfs/dbraw/zinc/43/05/75/1064430575.db2.gz ZWPRTWKSIGPHHC-QGZVFWFLSA-N 1 0 452.441 4.733 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2nccs2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359782325 1064434123 /nfs/dbraw/zinc/43/41/23/1064434123.db2.gz PNYUSVPEJKSQKG-UNMCSNQZSA-N 1 0 452.672 4.870 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2nccs2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359782324 1064434255 /nfs/dbraw/zinc/43/42/55/1064434255.db2.gz PNYUSVPEJKSQKG-RBBKRZOGSA-N 1 0 452.672 4.870 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359784101 1064437044 /nfs/dbraw/zinc/43/70/44/1064437044.db2.gz RIONPKNHVQDZMK-OHSXHVKISA-N 1 0 467.702 4.886 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001359788955 1064444941 /nfs/dbraw/zinc/44/49/41/1064444941.db2.gz KOXONXFVFSNKAK-GPUOULLFSA-N 1 0 453.675 4.675 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359792119 1064449381 /nfs/dbraw/zinc/44/93/81/1064449381.db2.gz HRKWIRMKLQXEIJ-OQLXKQOESA-N 1 0 459.704 4.873 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359795372 1064453592 /nfs/dbraw/zinc/45/35/92/1064453592.db2.gz IGEYHLBXBZCYJF-IBGZPJMESA-N 1 0 479.591 4.735 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2cccc(COC3CCOCC3)c2)c1 ZINC001435038079 1064453836 /nfs/dbraw/zinc/45/38/36/1064453836.db2.gz HPNDFPQTMRVHHE-UHFFFAOYSA-N 1 0 458.602 4.944 20 0 JJADRO CO[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)c1ccccc1C(F)(F)F ZINC001435041921 1064458096 /nfs/dbraw/zinc/45/80/96/1064458096.db2.gz WLLWLLAJGMPLST-NRFANRHFSA-N 1 0 453.480 4.701 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001359800513 1064467879 /nfs/dbraw/zinc/46/78/79/1064467879.db2.gz HPIMBASIFMSBCA-NTKDMRAZSA-N 1 0 460.066 4.564 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001359800514 1064467939 /nfs/dbraw/zinc/46/79/39/1064467939.db2.gz HPIMBASIFMSBCA-YADARESESA-N 1 0 460.066 4.564 20 0 JJADRO CC(C)Cc1nnc(N2CCC(c3nccs3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001359804592 1064473334 /nfs/dbraw/zinc/47/33/34/1064473334.db2.gz CKNDKSZJAOUJJY-OAQYLSRUSA-N 1 0 456.635 4.759 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cccc(-c4cscn4)c3)CC2)c1C ZINC001435056064 1064474665 /nfs/dbraw/zinc/47/46/65/1064474665.db2.gz FASVBHKJHFIHDT-UHFFFAOYSA-N 1 0 450.608 4.567 20 0 JJADRO Cc1ccccc1COc1cccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC001435061969 1064479894 /nfs/dbraw/zinc/47/98/94/1064479894.db2.gz BEFDDIAKWITISC-UHFFFAOYSA-N 1 0 452.545 4.985 20 0 JJADRO Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001435062437 1064480956 /nfs/dbraw/zinc/48/09/56/1064480956.db2.gz WZSGIDUDWMGUQK-RUZDIDTESA-N 1 0 459.615 4.781 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001435062892 1064481560 /nfs/dbraw/zinc/48/15/60/1064481560.db2.gz AUHLWDBNJHWIAC-INIZCTEOSA-N 1 0 454.364 4.548 20 0 JJADRO Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3F)cc12 ZINC001435062972 1064481634 /nfs/dbraw/zinc/48/16/34/1064481634.db2.gz BGJOVRDCATURAP-UHFFFAOYSA-N 1 0 454.546 4.878 20 0 JJADRO CC(C)Cc1nnc(N2CCC(COc3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359809170 1064482623 /nfs/dbraw/zinc/48/26/23/1064482623.db2.gz IUAZHOIXIPXFAI-QHCPKHFHSA-N 1 0 453.675 4.894 20 0 JJADRO O=C(COc1ccccc1Br)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001435065165 1064484245 /nfs/dbraw/zinc/48/42/45/1064484245.db2.gz BJPMEYHFBXXDJV-UHFFFAOYSA-N 1 0 451.792 4.606 20 0 JJADRO O=C(Cc1csc(CCC(F)(F)F)n1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001435065940 1064485970 /nfs/dbraw/zinc/48/59/70/1064485970.db2.gz DYYSCXDGAAYMEX-UHFFFAOYSA-N 1 0 459.965 4.959 20 0 JJADRO COC(=O)CC1(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)CCCC1 ZINC001435067973 1064489267 /nfs/dbraw/zinc/48/92/67/1064489267.db2.gz YYNNTWFAZFNCRE-UHFFFAOYSA-N 1 0 455.426 4.931 20 0 JJADRO CC(C)Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCCSc1ccccc1 ZINC001359812484 1064489313 /nfs/dbraw/zinc/48/93/13/1064489313.db2.gz NGDMJNAJDNIVLM-UHFFFAOYSA-N 1 0 484.758 4.654 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359815673 1064497149 /nfs/dbraw/zinc/49/71/49/1064497149.db2.gz RTTALELJSQEYRF-ZEQRLZLVSA-N 1 0 467.702 4.723 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359815881 1064498122 /nfs/dbraw/zinc/49/81/22/1064498122.db2.gz YLNJBOHVBVOETL-PUUVEUEGSA-N 1 0 488.120 4.824 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359815786 1064498148 /nfs/dbraw/zinc/49/81/48/1064498148.db2.gz VHBLJBRHOKBQSF-UHFFFAOYSA-N 1 0 453.675 4.709 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCc3ccccc3F)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001359818139 1064501736 /nfs/dbraw/zinc/50/17/36/1064501736.db2.gz UCFLTWBLRKCOCC-OAQYLSRUSA-N 1 0 457.638 4.533 20 0 JJADRO COc1cc[nH+]c(N2CCN(C(=O)/C(=C/c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)c1 ZINC001435082183 1064503796 /nfs/dbraw/zinc/50/37/96/1064503796.db2.gz CAPAXONCRVGSFS-XQNSMLJCSA-N 1 0 451.929 4.772 20 0 JJADRO CC(C)Cc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359825938 1064508367 /nfs/dbraw/zinc/50/83/67/1064508367.db2.gz MELOIXWIUAKRMT-SFHVURJKSA-N 1 0 479.595 4.503 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001359830042 1064512011 /nfs/dbraw/zinc/51/20/11/1064512011.db2.gz CFLOWXNPEQPOTH-FYYLOGMGSA-N 1 0 488.721 4.577 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001359833357 1064518347 /nfs/dbraw/zinc/51/83/47/1064518347.db2.gz WTYLCAKYJHUGBZ-NRFANRHFSA-N 1 0 476.616 4.614 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359833309 1064518396 /nfs/dbraw/zinc/51/83/96/1064518396.db2.gz WBVKZTLUANLQPK-WOJBJXKFSA-N 1 0 481.611 4.654 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359835409 1064522432 /nfs/dbraw/zinc/52/24/32/1064522432.db2.gz WIGYGLPWXDWBHW-JTHBVZDNSA-N 1 0 480.632 4.579 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@]3(CC=CCC3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001359838517 1064525444 /nfs/dbraw/zinc/52/54/44/1064525444.db2.gz CNVNEUYUHCDJMY-HHHXNRCGSA-N 1 0 451.659 4.792 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCC[NH+]1CCCCC1 ZINC001359842966 1064529543 /nfs/dbraw/zinc/52/95/43/1064529543.db2.gz HXUWVPFOBWPPAV-JOCHJYFZSA-N 1 0 476.710 4.626 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC001435127307 1064533410 /nfs/dbraw/zinc/53/34/10/1064533410.db2.gz QPPWWERVXNORMU-UHFFFAOYSA-N 1 0 457.530 4.786 20 0 JJADRO O=C([C@H]1COc2ccc(F)cc2C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001359847716 1064534029 /nfs/dbraw/zinc/53/40/29/1064534029.db2.gz UBZKUGNAVWKUHQ-GOSISDBHSA-N 1 0 451.369 4.808 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2cncc(-c3ccc(Cl)cc3)c2)cc1 ZINC001435128473 1064534627 /nfs/dbraw/zinc/53/46/27/1064534627.db2.gz QISCCWGYLLWXCE-UHFFFAOYSA-N 1 0 451.954 4.693 20 0 JJADRO CCOC(=O)c1cc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)[nH]c1C ZINC001359851029 1064537815 /nfs/dbraw/zinc/53/78/15/1064537815.db2.gz DOCREICTPOKULF-UHFFFAOYSA-N 1 0 452.382 4.545 20 0 JJADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001359852390 1064539673 /nfs/dbraw/zinc/53/96/73/1064539673.db2.gz YMQCJDYCHQBCLA-AWEZNQCLSA-N 1 0 457.384 4.798 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001359852837 1064540000 /nfs/dbraw/zinc/54/00/00/1064540000.db2.gz WTPXIHBLRMZFIX-JOCHJYFZSA-N 1 0 473.109 4.969 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359852644 1064540209 /nfs/dbraw/zinc/54/02/09/1064540209.db2.gz RIESGQXYDGIZAY-OAQYLSRUSA-N 1 0 456.654 4.595 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001359852839 1064540237 /nfs/dbraw/zinc/54/02/37/1064540237.db2.gz WXFLQWFQEPRQES-UHFFFAOYSA-N 1 0 456.654 4.599 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCCCC2)nc1 ZINC001435140991 1064541460 /nfs/dbraw/zinc/54/14/60/1064541460.db2.gz YRGWXOIPSNDWHX-UHFFFAOYSA-N 1 0 452.599 4.664 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001359859911 1064548629 /nfs/dbraw/zinc/54/86/29/1064548629.db2.gz JVQQFFHFLRPTDQ-RUZDIDTESA-N 1 0 493.618 4.629 20 0 JJADRO CC(C)Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[C@H](C)c1ccccc1 ZINC001359860286 1064549688 /nfs/dbraw/zinc/54/96/88/1064549688.db2.gz ONHHLRMPKPFAHP-CCDWMCETSA-N 1 0 466.718 4.665 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359860884 1064550245 /nfs/dbraw/zinc/55/02/45/1064550245.db2.gz YAIRNYBVNXKGNC-UHFFFAOYSA-N 1 0 492.615 4.559 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001359864220 1064554305 /nfs/dbraw/zinc/55/43/05/1064554305.db2.gz IFDMZPDRDYGSOG-NWSQWKLXSA-N 1 0 459.704 4.873 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359866089 1064557007 /nfs/dbraw/zinc/55/70/07/1064557007.db2.gz NDROJHIMKKUBGT-JOCHJYFZSA-N 1 0 478.056 4.969 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359868932 1064561302 /nfs/dbraw/zinc/56/13/02/1064561302.db2.gz PHEQVKQATNMPFY-ZJSXRUAMSA-N 1 0 457.638 4.848 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001359878218 1064569583 /nfs/dbraw/zinc/56/95/83/1064569583.db2.gz HMOKNZGVKJALNA-QGZVFWFLSA-N 1 0 465.484 4.506 20 0 JJADRO Cc1c(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)cnn1-c1cccc(Br)c1 ZINC001435180757 1064572138 /nfs/dbraw/zinc/57/21/38/1064572138.db2.gz VXNLPZLDCDZQLA-UHFFFAOYSA-N 1 0 457.372 4.526 20 0 JJADRO COC1CC[NH+](C2(CNC(=O)c3cc(-c4ccc(Cl)cc4Cl)on3)CCCC2)CC1 ZINC001435188353 1064577143 /nfs/dbraw/zinc/57/71/43/1064577143.db2.gz HBWUVOUNSLBIGZ-UHFFFAOYSA-N 1 0 452.382 4.802 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001359886436 1064581999 /nfs/dbraw/zinc/58/19/99/1064581999.db2.gz LXWLZAHUZKAFDT-FCHUYYIVSA-N 1 0 486.730 4.510 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001359887819 1064584492 /nfs/dbraw/zinc/58/44/92/1064584492.db2.gz YKRMQILBKYNRAA-ACESQOTJSA-N 1 0 488.721 4.653 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001435208522 1064593220 /nfs/dbraw/zinc/59/32/20/1064593220.db2.gz WATBLKXJRJBSRH-QHCPKHFHSA-N 1 0 458.650 4.912 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001359891879 1064593583 /nfs/dbraw/zinc/59/35/83/1064593583.db2.gz YQGPJQAYERELAG-WNCULLNHSA-N 1 0 497.087 4.891 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001359895025 1064596851 /nfs/dbraw/zinc/59/68/51/1064596851.db2.gz WBCHVDDNTGDARA-QQNWGBJXSA-N 1 0 483.701 4.808 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359899671 1064607065 /nfs/dbraw/zinc/60/70/65/1064607065.db2.gz QLKQNEKBZZWUCE-LOYIFYEOSA-N 1 0 477.738 4.695 20 0 JJADRO C[NH+](C)CCn1ccc2ccc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)cc21 ZINC001435237149 1064617361 /nfs/dbraw/zinc/61/73/61/1064617361.db2.gz DGDAHXBXLWVJAK-UHFFFAOYSA-N 1 0 451.958 4.868 20 0 JJADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)cc21 ZINC001435238762 1064618943 /nfs/dbraw/zinc/61/89/43/1064618943.db2.gz WMVRYORDLWRJME-UHFFFAOYSA-N 1 0 455.002 4.771 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)cc1 ZINC001359906168 1064620988 /nfs/dbraw/zinc/62/09/88/1064620988.db2.gz NZGMJFUHJLFQJA-UKTHLTGXSA-N 1 0 450.579 4.730 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3coc(/C=C\C(=O)OC(C)(C)C)c3)cc2F)CC1 ZINC001359906814 1064622439 /nfs/dbraw/zinc/62/24/39/1064622439.db2.gz JUDAXQJHYCZVFB-CLFYSBASSA-N 1 0 457.546 4.556 20 0 JJADRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OCc1ccc(Cl)cc1Cl ZINC001435253041 1064629276 /nfs/dbraw/zinc/62/92/76/1064629276.db2.gz ACSDUQZLCXIEPQ-FOIQADDNSA-N 1 0 451.394 4.993 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)[C@@H]1c1cccs1 ZINC001435260954 1064637662 /nfs/dbraw/zinc/63/76/62/1064637662.db2.gz LQUNHEKSWQXTSW-DOTOQJQBSA-N 1 0 450.486 4.630 20 0 JJADRO CCOC(=O)N1[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC[C@H]1c1ccc(C)o1 ZINC001435262090 1064638196 /nfs/dbraw/zinc/63/81/96/1064638196.db2.gz ROOISJSBICWJBO-OZIGNCPNSA-N 1 0 459.612 4.511 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(Cl)cc2Br)[C@@H]1c1cccs1 ZINC001435263289 1064639789 /nfs/dbraw/zinc/63/97/89/1064639789.db2.gz ZRLSTPOEVJIEIZ-BFUOFWGJSA-N 1 0 457.821 4.742 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359918092 1064640192 /nfs/dbraw/zinc/64/01/92/1064640192.db2.gz YXDCZRFPHURKQO-OAQYLSRUSA-N 1 0 466.630 4.583 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359918624 1064641647 /nfs/dbraw/zinc/64/16/47/1064641647.db2.gz LOFLLHLOFXWADS-FCHUYYIVSA-N 1 0 478.726 4.851 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359918487 1064641843 /nfs/dbraw/zinc/64/18/43/1064641843.db2.gz IWWSXXSHUYGFSX-PKTZIBPZSA-N 1 0 490.737 4.995 20 0 JJADRO CC(C)CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CC[C@H](C)C1 ZINC001359921525 1064647675 /nfs/dbraw/zinc/64/76/75/1064647675.db2.gz LDEKUFMJQZRPFI-BJKOFHAPSA-N 1 0 452.691 4.561 20 0 JJADRO CC(C)CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001359921527 1064647828 /nfs/dbraw/zinc/64/78/28/1064647828.db2.gz LDEKUFMJQZRPFI-RPWUZVMVSA-N 1 0 452.691 4.561 20 0 JJADRO C[NH+](C)C1(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)Cc2ccccc2C1 ZINC001435271250 1064649460 /nfs/dbraw/zinc/64/94/60/1064649460.db2.gz SMEBLTMWYPMXBC-UHFFFAOYSA-N 1 0 459.537 4.587 20 0 JJADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001435273533 1064651510 /nfs/dbraw/zinc/65/15/10/1064651510.db2.gz JVJZJLPEQFUVCP-UTCJRWHESA-N 1 0 459.390 4.537 20 0 JJADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001435273900 1064652274 /nfs/dbraw/zinc/65/22/74/1064652274.db2.gz PRTIVGARIMNAPD-UHFFFAOYSA-N 1 0 458.349 4.545 20 0 JJADRO CN(C)c1ccc(N2CCC(NC(=O)c3cc(Cl)c(F)cc3Br)CC2)cc1 ZINC001435288676 1064664789 /nfs/dbraw/zinc/66/47/89/1064664789.db2.gz CREHTDRWVLCNCP-UHFFFAOYSA-N 1 0 454.771 4.706 20 0 JJADRO CN1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c2cc(Cl)ccc21 ZINC001435300486 1064675915 /nfs/dbraw/zinc/67/59/15/1064675915.db2.gz FIHPCSNREFLUSB-QFIPXVFZSA-N 1 0 451.920 4.968 20 0 JJADRO CC(C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001359934096 1064677140 /nfs/dbraw/zinc/67/71/40/1064677140.db2.gz VWVVKVXJLFXXCY-OAQYLSRUSA-N 1 0 453.034 4.998 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)ccc1OC(F)F ZINC001435304735 1064679455 /nfs/dbraw/zinc/67/94/55/1064679455.db2.gz OKFAYBWSLCUHGX-INIZCTEOSA-N 1 0 453.327 4.645 20 0 JJADRO CCOCc1nc(C)c(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)s1 ZINC001435314960 1064687364 /nfs/dbraw/zinc/68/73/64/1064687364.db2.gz CTQWGDTVZNLUCA-SFHVURJKSA-N 1 0 455.546 4.515 20 0 JJADRO CC(C)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001359943532 1064688226 /nfs/dbraw/zinc/68/82/26/1064688226.db2.gz CLFLJXCUGSGBRD-XMMPIXPASA-N 1 0 452.691 4.561 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001359947662 1064697219 /nfs/dbraw/zinc/69/72/19/1064697219.db2.gz COAVGRRBUGUUAT-RUZDIDTESA-N 1 0 487.664 4.616 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1ccnc(OCC(F)(F)F)c1)Cc1ccccc1 ZINC001435325611 1064697938 /nfs/dbraw/zinc/69/79/38/1064697938.db2.gz RAKFGNCNGXPZGU-UHFFFAOYSA-N 1 0 457.496 4.797 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001359947901 1064698631 /nfs/dbraw/zinc/69/86/31/1064698631.db2.gz GGNDZUPQOPXTOF-UHFFFAOYSA-N 1 0 482.623 4.937 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CCOc3ccccc3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001359948333 1064700078 /nfs/dbraw/zinc/70/00/78/1064700078.db2.gz LUPCQNRFUVWHDV-XZOQPEGZSA-N 1 0 485.742 4.988 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CC1 ZINC001359948394 1064700203 /nfs/dbraw/zinc/70/02/03/1064700203.db2.gz MLSXWRFVUYONKD-HSZRJFAPSA-N 1 0 498.691 4.583 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001359948524 1064700220 /nfs/dbraw/zinc/70/02/20/1064700220.db2.gz NEHUGONLVPCCJY-JOCHJYFZSA-N 1 0 475.678 4.696 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001359948573 1064700275 /nfs/dbraw/zinc/70/02/75/1064700275.db2.gz OKAYOSIVCDYSEB-QHCPKHFHSA-N 1 0 490.737 4.728 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N(C)CC(F)(F)F)CC1 ZINC001359948805 1064700913 /nfs/dbraw/zinc/70/09/13/1064700913.db2.gz RCSIABUUPKVKAZ-UHFFFAOYSA-N 1 0 455.544 4.765 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N3CCN(Cc4cccs4)CC3)nnc2C(C)(C)C)CC1 ZINC001359950053 1064703149 /nfs/dbraw/zinc/70/31/49/1064703149.db2.gz DDBLMJYYKGDNMS-UHFFFAOYSA-N 1 0 472.747 4.717 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N3CCCN(C(=O)OCC(C)C)CC3)nnc2C(C)(C)C)CC1 ZINC001359950298 1064704360 /nfs/dbraw/zinc/70/43/60/1064704360.db2.gz HFJHKGJBQJVZFX-UHFFFAOYSA-N 1 0 490.737 4.638 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)nnc2C(C)(C)C)CC1 ZINC001359950588 1064705985 /nfs/dbraw/zinc/70/59/85/1064705985.db2.gz KQVOARMBGRDBIL-HSZRJFAPSA-N 1 0 496.744 4.990 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N3CC[C@H](C)[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001359951025 1064707773 /nfs/dbraw/zinc/70/77/73/1064707773.db2.gz RIWZBXQZPGJLAF-OBTVHEKISA-N 1 0 475.722 4.559 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)s2)c(F)c1 ZINC001435339269 1064709475 /nfs/dbraw/zinc/70/94/75/1064709475.db2.gz MFCSUICILNUBFV-OPAMFIHVSA-N 1 0 453.583 4.907 20 0 JJADRO O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001435344983 1064713529 /nfs/dbraw/zinc/71/35/29/1064713529.db2.gz GQYMEBUOEDYKRK-XMMPIXPASA-N 1 0 455.643 4.634 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCOCC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001359954389 1064719592 /nfs/dbraw/zinc/71/95/92/1064719592.db2.gz GFYNWQBTDZYFEC-HSZRJFAPSA-N 1 0 469.655 4.571 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001435357365 1064721521 /nfs/dbraw/zinc/72/15/21/1064721521.db2.gz JHAHWAQSFPVGQF-QTGUNEKASA-N 1 0 450.558 4.847 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2ccccn2)cc1 ZINC001359955141 1064723302 /nfs/dbraw/zinc/72/33/02/1064723302.db2.gz RBSKVNQWPOOSMT-UHFFFAOYSA-N 1 0 476.669 4.928 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)cc1 ZINC001359955120 1064723463 /nfs/dbraw/zinc/72/34/63/1064723463.db2.gz QKUBDKKIVMHUAZ-UPVQGACJSA-N 1 0 469.674 4.573 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359955291 1064724615 /nfs/dbraw/zinc/72/46/15/1064724615.db2.gz YZDXDXRSJACRKF-QFIPXVFZSA-N 1 0 454.663 4.636 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)nc1 ZINC001359957500 1064725637 /nfs/dbraw/zinc/72/56/37/1064725637.db2.gz VGQUWSVKBAIUDR-FQEVSTJZSA-N 1 0 458.990 4.867 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001435379785 1064731156 /nfs/dbraw/zinc/73/11/56/1064731156.db2.gz TZVSKFZLEZJIBT-OXQOHEQNSA-N 1 0 454.368 4.887 20 0 JJADRO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001359966981 1064742027 /nfs/dbraw/zinc/74/20/27/1064742027.db2.gz IPCREKWZPSMGAF-SMIHKQSGSA-N 1 0 461.695 4.673 20 0 JJADRO CC(C)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359970788 1064746550 /nfs/dbraw/zinc/74/65/50/1064746550.db2.gz DMXWUUUGQDNLLO-HSALFYBXSA-N 1 0 464.054 4.663 20 0 JJADRO Cc1cc(I)cc(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC001435426163 1064750857 /nfs/dbraw/zinc/75/08/57/1064750857.db2.gz YTWCCTMIVYVMEO-INIZCTEOSA-N 1 0 450.364 4.548 20 0 JJADRO CC(C)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359973459 1064751052 /nfs/dbraw/zinc/75/10/52/1064751052.db2.gz SOUVBTXZVDIJJT-MRXNPFEDSA-N 1 0 454.482 4.982 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359976396 1064753093 /nfs/dbraw/zinc/75/30/93/1064753093.db2.gz PWSPKERDAWOBLD-DHIUTWEWSA-N 1 0 463.674 4.981 20 0 JJADRO CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359981484 1064756994 /nfs/dbraw/zinc/75/69/94/1064756994.db2.gz XXNDHULHBCNCQL-IBGZPJMESA-N 1 0 476.419 4.608 20 0 JJADRO CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359981485 1064757122 /nfs/dbraw/zinc/75/71/22/1064757122.db2.gz XXNDHULHBCNCQL-LJQANCHMSA-N 1 0 476.419 4.608 20 0 JJADRO CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)[NH+]1CCC(C)CC1)C1CCCC1 ZINC001359983250 1064759880 /nfs/dbraw/zinc/75/98/80/1064759880.db2.gz MXKIETHHIHUGLM-HOFKKMOUSA-N 1 0 475.722 4.844 20 0 JJADRO CC(C)CN(c1nnc(-c2c[nH]c3ccccc23)n1CCC[N@@H+]1CCCO[C@H](C)C1)C(C)C ZINC001359987157 1064768072 /nfs/dbraw/zinc/76/80/72/1064768072.db2.gz MAYKOLIGKGFOSZ-OAQYLSRUSA-N 1 0 452.647 4.798 20 0 JJADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC001435457558 1064768527 /nfs/dbraw/zinc/76/85/27/1064768527.db2.gz HMEGYYZBPKVWHG-UHFFFAOYSA-N 1 0 457.014 4.932 20 0 JJADRO CC(C)CN(c1nnc(Cc2ccccc2F)n1CC1([NH+]2CCOCC2)CCCCC1)C(C)C ZINC001359990536 1064772085 /nfs/dbraw/zinc/77/20/85/1064772085.db2.gz NHEIJXAJHKQZGO-UHFFFAOYSA-N 1 0 471.665 4.914 20 0 JJADRO CC(C)CN(c1nnc(Cc2ccccn2)n1C[C@H](c1ccco1)[NH+]1CCCCC1)C(C)C ZINC001359990641 1064772294 /nfs/dbraw/zinc/77/22/94/1064772294.db2.gz OAXUAXGKAREANB-HSZRJFAPSA-N 1 0 450.631 4.955 20 0 JJADRO COC(=O)[C@@H]1CCC[C@H](C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)C1 ZINC001435473646 1064778549 /nfs/dbraw/zinc/77/85/49/1064778549.db2.gz ZETMLHXBAQVDRC-UEXGIBASSA-N 1 0 457.442 4.888 20 0 JJADRO CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001359995462 1064780734 /nfs/dbraw/zinc/78/07/34/1064780734.db2.gz STCRIVVATRZEKA-KRWDZBQOSA-N 1 0 464.427 4.815 20 0 JJADRO CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001360004545 1064791173 /nfs/dbraw/zinc/79/11/73/1064791173.db2.gz ONXLALGTICOCMP-IBGZPJMESA-N 1 0 476.463 4.588 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360007233 1064794680 /nfs/dbraw/zinc/79/46/80/1064794680.db2.gz ARADLRBBDIFYKC-NFBKMPQASA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001360007505 1064795051 /nfs/dbraw/zinc/79/50/51/1064795051.db2.gz DGJQMWADZFTCCL-NJYVYQBISA-N 1 0 476.065 4.665 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360008112 1064796401 /nfs/dbraw/zinc/79/64/01/1064796401.db2.gz KYPHAQIUASZKDY-WOJBJXKFSA-N 1 0 478.056 4.968 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CC(F)(F)F)C1 ZINC001360008275 1064796794 /nfs/dbraw/zinc/79/67/94/1064796794.db2.gz OIHCBWLUXKOKEN-GOSISDBHSA-N 1 0 475.563 4.702 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)C1 ZINC001360008140 1064796873 /nfs/dbraw/zinc/79/68/73/1064796873.db2.gz LNGGISHUPJAPSE-ZFGGDYGUSA-N 1 0 457.638 4.875 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)C1 ZINC001360008501 1064797317 /nfs/dbraw/zinc/79/73/17/1064797317.db2.gz SBXZUQPNKTZNET-GOSISDBHSA-N 1 0 466.457 4.847 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001360008380 1064797475 /nfs/dbraw/zinc/79/74/75/1064797475.db2.gz QAKBIBOIWVCFGD-ZWKOTPCHSA-N 1 0 496.519 4.752 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)C1 ZINC001360008297 1064797505 /nfs/dbraw/zinc/79/75/05/1064797505.db2.gz OYFOYBJPTMOEKD-FSSWDIPSSA-N 1 0 487.664 4.929 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360008662 1064797970 /nfs/dbraw/zinc/79/79/70/1064797970.db2.gz VFVURUKPEUKLRM-REWPJTCUSA-N 1 0 491.627 4.920 20 0 JJADRO COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1 ZINC001435515008 1064799349 /nfs/dbraw/zinc/79/93/49/1064799349.db2.gz VOXCIXINNPTTGY-HSZRJFAPSA-N 1 0 453.583 4.804 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2cccs2)C1 ZINC001360009945 1064800002 /nfs/dbraw/zinc/80/00/02/1064800002.db2.gz HSLLHUYRMAZYRK-NHCUHLMSSA-N 1 0 452.672 4.891 20 0 JJADRO CN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435519553 1064802736 /nfs/dbraw/zinc/80/27/36/1064802736.db2.gz SCFKVIHUKQOSRZ-ZEQRLZLVSA-N 1 0 451.611 4.766 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)F)C1 ZINC001360010608 1064803667 /nfs/dbraw/zinc/80/36/67/1064803667.db2.gz SNLBXOJTQTVFIO-IBGZPJMESA-N 1 0 458.601 4.896 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001360010797 1064804634 /nfs/dbraw/zinc/80/46/34/1064804634.db2.gz WIWYLTXEQQEHSZ-OAQYLSRUSA-N 1 0 486.611 4.889 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCOC(C)(C)C)C1 ZINC001360010987 1064805509 /nfs/dbraw/zinc/80/55/09/1064805509.db2.gz ZKLTWCUSUBPNKF-QHCPKHFHSA-N 1 0 493.700 4.750 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](C)CC2)C1 ZINC001360011905 1064807287 /nfs/dbraw/zinc/80/72/87/1064807287.db2.gz KBXCGNABLNBIIB-BJKOFHAPSA-N 1 0 453.675 4.894 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N(C)[C@@H](C)c3cccs3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001360012355 1064808992 /nfs/dbraw/zinc/80/89/92/1064808992.db2.gz QFNMNWQOZCRATF-MCEYFSPLSA-N 1 0 489.730 4.946 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CC[C@H](C)C2)C1 ZINC001360012386 1064809025 /nfs/dbraw/zinc/80/90/25/1064809025.db2.gz QZGSDCIZLIHOJM-PMACEKPBSA-N 1 0 490.490 4.834 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CC3CC3)nnc2N(C)Cc2ccc(Br)cc2)C1 ZINC001360012561 1064810133 /nfs/dbraw/zinc/81/01/33/1064810133.db2.gz SQYUXIRNSQOWOO-NRFANRHFSA-N 1 0 474.491 4.998 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(N3CCC(C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001360012900 1064811224 /nfs/dbraw/zinc/81/12/24/1064811224.db2.gz ZBYGHHOWDUIPCE-KCWPFWIISA-N 1 0 475.722 4.559 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360014476 1064813219 /nfs/dbraw/zinc/81/32/19/1064813219.db2.gz GISVTNYORKUABW-SFHLNBCPSA-N 1 0 464.029 4.988 20 0 JJADRO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCCC2)[C@@H](C)C1=O ZINC001360017200 1064817171 /nfs/dbraw/zinc/81/71/71/1064817171.db2.gz BKHGHUYQZNXFQK-FQEVSTJZSA-N 1 0 487.092 4.556 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(Cl)cc2)CC1 ZINC001360017497 1064817900 /nfs/dbraw/zinc/81/79/00/1064817900.db2.gz GJSBCCJQQQVYLN-UHFFFAOYSA-N 1 0 491.865 4.710 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC2CCCC2)CC1 ZINC001360018217 1064819583 /nfs/dbraw/zinc/81/95/83/1064819583.db2.gz NMBHNXXUEPAPLA-UHFFFAOYSA-N 1 0 464.029 4.865 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2nccs2)CC1 ZINC001360018487 1064820175 /nfs/dbraw/zinc/82/01/75/1064820175.db2.gz QOIHWSHQIRSHHR-UHFFFAOYSA-N 1 0 465.454 4.729 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCC(=O)NC(C)C)CC1 ZINC001360019020 1064822018 /nfs/dbraw/zinc/82/20/18/1064822018.db2.gz ZYCTWIDGPDPVLQ-UHFFFAOYSA-N 1 0 498.672 4.505 20 0 JJADRO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCCCC2)[C@H](C)C1=O ZINC001360022020 1064825896 /nfs/dbraw/zinc/82/58/96/1064825896.db2.gz XRWPMGQTPYZRGA-HXUWFJFHSA-N 1 0 487.092 4.556 20 0 JJADRO Cc1cc(Br)cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1 ZINC001360028774 1064830043 /nfs/dbraw/zinc/83/00/43/1064830043.db2.gz VJYKIRGAKFQDRW-UHFFFAOYSA-N 1 0 454.206 4.724 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C ZINC001360028896 1064831142 /nfs/dbraw/zinc/83/11/42/1064831142.db2.gz ZULCAYAECZEPOY-UHFFFAOYSA-N 1 0 459.553 4.679 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001435565087 1064836266 /nfs/dbraw/zinc/83/62/66/1064836266.db2.gz HWQQOESYYIGCKO-LEWJYISDSA-N 1 0 455.643 4.535 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)C1 ZINC001360033945 1064837909 /nfs/dbraw/zinc/83/79/09/1064837909.db2.gz ANJJRHFJIYALFZ-LGVFNWMJSA-N 1 0 487.664 4.786 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(C)CCCO2)CC1 ZINC001360034308 1064838277 /nfs/dbraw/zinc/83/82/77/1064838277.db2.gz SPWRHGSBKYMRAT-QHCPKHFHSA-N 1 0 464.079 4.571 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@@H](C)C2)C1 ZINC001360035142 1064840373 /nfs/dbraw/zinc/84/03/73/1064840373.db2.gz KKWHFNDUTANDAS-BZSNNMDCSA-N 1 0 496.519 4.608 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)[C@H]2CCC[C@H](C)C2)C1 ZINC001360036043 1064843368 /nfs/dbraw/zinc/84/33/68/1064843368.db2.gz RSRVTENZPWXMIE-ACRUOGEOSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)C1 ZINC001360036174 1064844104 /nfs/dbraw/zinc/84/41/04/1064844104.db2.gz UWAPWJUIIFUGGW-KNQAVFIVSA-N 1 0 491.627 4.776 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)C1 ZINC001360036173 1064844797 /nfs/dbraw/zinc/84/47/97/1064844797.db2.gz UWAPWJUIIFUGGW-DENIHFKCSA-N 1 0 491.627 4.776 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)C2CCCCC2)C1 ZINC001360036409 1064845330 /nfs/dbraw/zinc/84/53/30/1064845330.db2.gz ZNGCKIGBADYLLH-RBBKRZOGSA-N 1 0 457.638 4.846 20 0 JJADRO CC(C)(C)C(=O)NCc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC001360037754 1064848057 /nfs/dbraw/zinc/84/80/57/1064848057.db2.gz STNWVRAEJARHTA-UHFFFAOYSA-N 1 0 456.030 4.741 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)c2ccccc2CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001435586354 1064850582 /nfs/dbraw/zinc/85/05/82/1064850582.db2.gz MIADKKYAVZNGTB-IRLDBZIGSA-N 1 0 451.611 4.742 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360038690 1064850628 /nfs/dbraw/zinc/85/06/28/1064850628.db2.gz GXRBSPDLHREGDG-GOSISDBHSA-N 1 0 496.519 4.753 20 0 JJADRO C[C@H]1C[C@@H](CCNC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001435588016 1064852863 /nfs/dbraw/zinc/85/28/63/1064852863.db2.gz USPZEDPNWZRLKZ-DOTOQJQBSA-N 1 0 454.464 4.920 20 0 JJADRO CCOc1ccc(Cl)cc1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001435589673 1064855274 /nfs/dbraw/zinc/85/52/74/1064855274.db2.gz LQGHMPXBTWPIGD-LOSJGSFVSA-N 1 0 464.009 4.708 20 0 JJADRO CC(C)CN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)C1CCCC1 ZINC001360041088 1064856899 /nfs/dbraw/zinc/85/68/99/1064856899.db2.gz WEZMHBVZIRRNGF-VWLOTQADSA-N 1 0 471.665 4.770 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1Cl ZINC001435594148 1064860113 /nfs/dbraw/zinc/86/01/13/1064860113.db2.gz YOSHFVHYKIAVRH-UHFFFAOYSA-N 1 0 455.908 4.612 20 0 JJADRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc(OCC(=O)OC(C)(C)C)cc3)c2)CC1 ZINC001435601314 1064865872 /nfs/dbraw/zinc/86/58/72/1064865872.db2.gz VKHKYKKVBQHGJU-UHFFFAOYSA-N 1 0 452.595 4.934 20 0 JJADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC001435604342 1064868111 /nfs/dbraw/zinc/86/81/11/1064868111.db2.gz GTNRHAWLQRFKNA-YJBOKZPZSA-N 1 0 456.015 4.543 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1OC ZINC001435603720 1064868136 /nfs/dbraw/zinc/86/81/36/1064868136.db2.gz JLDWHOKEDLRHIH-RPBOFIJWSA-N 1 0 459.590 4.662 20 0 JJADRO CC(C)COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001360050444 1064875296 /nfs/dbraw/zinc/87/52/96/1064875296.db2.gz SPHMCPMVGUJFLM-HSZRJFAPSA-N 1 0 455.647 4.523 20 0 JJADRO CC(C)COc1cccc(Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001360051326 1064878056 /nfs/dbraw/zinc/87/80/56/1064878056.db2.gz AVYZHONSRLGXKE-QFIPXVFZSA-N 1 0 453.675 4.870 20 0 JJADRO CCCO[C@@H](C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1C ZINC001435616627 1064879252 /nfs/dbraw/zinc/87/92/52/1064879252.db2.gz FRLWMHGSOMUIEN-WIOPSUGQSA-N 1 0 450.558 4.884 20 0 JJADRO CCC[N@H+](CC)Cc1ccc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cc1 ZINC001435622205 1064884268 /nfs/dbraw/zinc/88/42/68/1064884268.db2.gz PUVRQLKVXJZRLP-QFIPXVFZSA-N 1 0 454.615 4.785 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001360056338 1064887035 /nfs/dbraw/zinc/88/70/35/1064887035.db2.gz BISNAOOJHRXQGR-JOCHJYFZSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001360056454 1064887850 /nfs/dbraw/zinc/88/78/50/1064887850.db2.gz CQLGQPUOBTWBRX-VQIMIIECSA-N 1 0 466.457 4.986 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001360056614 1064888629 /nfs/dbraw/zinc/88/86/29/1064888629.db2.gz DJLKDJQPXJJWQQ-PZJWPPBQSA-N 1 0 461.054 4.509 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001360056672 1064888686 /nfs/dbraw/zinc/88/86/86/1064888686.db2.gz FAKPKSMQEIHPBC-ZRCGQRJVSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C2CCCC2)C1 ZINC001360058598 1064895226 /nfs/dbraw/zinc/89/52/26/1064895226.db2.gz TWIWDRBWSVUEDX-FQEVSTJZSA-N 1 0 464.029 4.863 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001360061841 1064901789 /nfs/dbraw/zinc/90/17/89/1064901789.db2.gz CWKCKEZMSOVCSC-XXBNENTESA-N 1 0 475.628 4.519 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001360062086 1064901857 /nfs/dbraw/zinc/90/18/57/1064901857.db2.gz FVCUKGMCZBPPDF-DEOSSOPVSA-N 1 0 467.702 4.955 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001360065388 1064907071 /nfs/dbraw/zinc/90/70/71/1064907071.db2.gz CXQKTYGHDIJPFI-ZJSXRUAMSA-N 1 0 490.092 4.882 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)C1 ZINC001360067350 1064912408 /nfs/dbraw/zinc/91/24/08/1064912408.db2.gz VVVFYSVANPDKIP-FQEVSTJZSA-N 1 0 496.483 4.901 20 0 JJADRO CC(C)COCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001360072967 1064918096 /nfs/dbraw/zinc/91/80/96/1064918096.db2.gz DCHWAFDALHNDEI-HXUWFJFHSA-N 1 0 475.628 4.520 20 0 JJADRO CC(C)COCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001360074252 1064920491 /nfs/dbraw/zinc/92/04/91/1064920491.db2.gz LDUVDJGGYQLHCT-DEOSSOPVSA-N 1 0 483.701 4.892 20 0 JJADRO CC(=O)N[C@H](CC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1)c1cccs1 ZINC001435672387 1064925951 /nfs/dbraw/zinc/92/59/51/1064925951.db2.gz GDWDNJBIKJYQQE-XZOQPEGZSA-N 1 0 457.640 4.734 20 0 JJADRO CC(=O)N[C@H](CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1)c1cccs1 ZINC001435672380 1064925976 /nfs/dbraw/zinc/92/59/76/1064925976.db2.gz GDWDNJBIKJYQQE-DHIUTWEWSA-N 1 0 457.640 4.734 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)cc1)C[C@@H]1CCCCO1 ZINC001435674754 1064927309 /nfs/dbraw/zinc/92/73/09/1064927309.db2.gz SGWQEDJGHFVNIG-SFTDATJTSA-N 1 0 452.521 4.795 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)o1 ZINC001360078684 1064932222 /nfs/dbraw/zinc/93/22/22/1064932222.db2.gz CWBWQYTVLFFMNK-UHFFFAOYSA-N 1 0 454.954 4.967 20 0 JJADRO CC(C)CSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360079218 1064933119 /nfs/dbraw/zinc/93/31/19/1064933119.db2.gz DYWFLYPJZLTAFW-NHCUHLMSSA-N 1 0 465.752 4.897 20 0 JJADRO CC(C)CSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001360082963 1064943850 /nfs/dbraw/zinc/94/38/50/1064943850.db2.gz RERODDUWPWHKAG-GOSISDBHSA-N 1 0 463.095 4.693 20 0 JJADRO CC(C)CSCCn1c(C2CCCC2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001360083896 1064945836 /nfs/dbraw/zinc/94/58/36/1064945836.db2.gz VKORXQCEVVSZST-JTHBVZDNSA-N 1 0 473.735 4.578 20 0 JJADRO CC(C)CSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001360086012 1064949463 /nfs/dbraw/zinc/94/94/63/1064949463.db2.gz OAKWPKAWRVUXHP-QPTUXGOLSA-N 1 0 471.715 4.661 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc(Br)cc1Cl ZINC001435713022 1064951412 /nfs/dbraw/zinc/95/14/12/1064951412.db2.gz YSCYVJISNKQNEG-UHFFFAOYSA-N 1 0 450.808 4.805 20 0 JJADRO CC(C)CSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001360087145 1064951482 /nfs/dbraw/zinc/95/14/82/1064951482.db2.gz MQYAFZFFBIAOQB-PKTZIBPZSA-N 1 0 470.731 4.744 20 0 JJADRO CC(C)CSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360087146 1064951604 /nfs/dbraw/zinc/95/16/04/1064951604.db2.gz MQYAFZFFBIAOQB-XZOQPEGZSA-N 1 0 470.731 4.744 20 0 JJADRO Cc1c(C(=O)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cccc1-c1ccccn1 ZINC001435722562 1064955089 /nfs/dbraw/zinc/95/50/89/1064955089.db2.gz DGBDINDQJDGOPN-FGZHOGPDSA-N 1 0 457.618 4.996 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccc([C@@H]4CCCOC4)cc3)cc2)C[C@H]1C ZINC001435723545 1064955574 /nfs/dbraw/zinc/95/55/74/1064955574.db2.gz JPGNTACCZVUKBO-TVZXLZGTSA-N 1 0 450.623 4.520 20 0 JJADRO COc1ccc(/C=C(\C)C(=O)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cc1F ZINC001435723447 1064955749 /nfs/dbraw/zinc/95/57/49/1064955749.db2.gz IOUCRTYMMZGPJF-PHSADPEKSA-N 1 0 454.586 4.563 20 0 JJADRO Cc1cccc(-c2ccc(C(=O)NCCc3ccc(OCC[NH+]4C[C@H](C)[C@@H](C)C4)cc3)n2C)c1 ZINC001435724412 1064956889 /nfs/dbraw/zinc/95/68/89/1064956889.db2.gz PWQLGZNJWPTFOK-GOTSBHOMSA-N 1 0 459.634 4.940 20 0 JJADRO Cc1cccc(-c2ccc(C(=O)NCCc3ccc(OCC[NH+]4C[C@@H](C)[C@H](C)C4)cc3)n2C)c1 ZINC001435724409 1064957081 /nfs/dbraw/zinc/95/70/81/1064957081.db2.gz PWQLGZNJWPTFOK-DHIUTWEWSA-N 1 0 459.634 4.940 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccc(Cl)c4ncccc34)cc2)C[C@H]1C ZINC001435726527 1064958991 /nfs/dbraw/zinc/95/89/91/1064958991.db2.gz ZOJWXXYUNGXEJZ-KDURUIRLSA-N 1 0 451.998 4.827 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360091841 1064959110 /nfs/dbraw/zinc/95/91/10/1064959110.db2.gz IHZLZYHDSDCKQI-QFIPXVFZSA-N 1 0 454.569 4.710 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001360092298 1064960542 /nfs/dbraw/zinc/96/05/42/1064960542.db2.gz AFQDKKUQIQWAIY-QFIPXVFZSA-N 1 0 490.737 4.779 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nccs2)CC1 ZINC001360092458 1064961254 /nfs/dbraw/zinc/96/12/54/1064961254.db2.gz GSFLYYUFUWMXEG-UHFFFAOYSA-N 1 0 489.487 4.769 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(F)(F)Br)CC1 ZINC001360092532 1064962284 /nfs/dbraw/zinc/96/22/84/1064962284.db2.gz IZESTLOPKJGTRQ-UHFFFAOYSA-N 1 0 491.812 4.538 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C)CCOCC2)CC1 ZINC001360092674 1064962794 /nfs/dbraw/zinc/96/27/94/1064962794.db2.gz OBJGWYAMUCDGQF-UHFFFAOYSA-N 1 0 491.627 4.920 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001435733788 1064963654 /nfs/dbraw/zinc/96/36/54/1064963654.db2.gz WECXXDFGAQCKCM-MSNJVRRCSA-N 1 0 457.659 4.542 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2Cc2cccc(Br)n2)CC1 ZINC001360092828 1064963734 /nfs/dbraw/zinc/96/37/34/1064963734.db2.gz URUUGJWFBWCCTI-UHFFFAOYSA-N 1 0 483.458 4.708 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001360092717 1064963876 /nfs/dbraw/zinc/96/38/76/1064963876.db2.gz POMVPZFHPBZWCU-UHFFFAOYSA-N 1 0 469.722 4.853 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001435733789 1064963942 /nfs/dbraw/zinc/96/39/42/1064963942.db2.gz WECXXDFGAQCKCM-MZURWIMNSA-N 1 0 457.659 4.542 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C1CCC1 ZINC001360092739 1064964121 /nfs/dbraw/zinc/96/41/21/1064964121.db2.gz QNZILEUDUDLEJF-ZRZAMGCNSA-N 1 0 496.700 4.926 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC001360092960 1064964618 /nfs/dbraw/zinc/96/46/18/1064964618.db2.gz YXOLZTKVNCBUEB-UHFFFAOYSA-N 1 0 494.728 4.807 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001360092861 1064964693 /nfs/dbraw/zinc/96/46/93/1064964693.db2.gz VJKJZYWXCDZZFW-GDLZYMKVSA-N 1 0 490.696 4.794 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001360094524 1064965871 /nfs/dbraw/zinc/96/58/71/1064965871.db2.gz CQKHEGINXPWVNC-JYFHCDHNSA-N 1 0 490.092 4.637 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N2CCCCC2)CC1 ZINC001360094599 1064966051 /nfs/dbraw/zinc/96/60/51/1064966051.db2.gz GFIQOPJPHXPXBO-UHFFFAOYSA-N 1 0 487.092 4.558 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC001360094523 1064966073 /nfs/dbraw/zinc/96/60/73/1064966073.db2.gz CQKHEGINXPWVNC-BVAGGSTKSA-N 1 0 490.092 4.637 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CC3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001360094745 1064966837 /nfs/dbraw/zinc/96/68/37/1064966837.db2.gz KXQMLGFPSJFNOD-UHFFFAOYSA-N 1 0 451.537 4.501 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC=CO2)CC1 ZINC001360094882 1064967549 /nfs/dbraw/zinc/96/75/49/1064967549.db2.gz OIUKKSLDGDMFGX-HXUWFJFHSA-N 1 0 488.474 4.957 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCOC2CCCCCC2)CC1 ZINC001360094978 1064967781 /nfs/dbraw/zinc/96/77/81/1064967781.db2.gz RTGWZSZUWXSELO-UHFFFAOYSA-N 1 0 454.663 4.636 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC=CO2)CC1 ZINC001360094881 1064967955 /nfs/dbraw/zinc/96/79/55/1064967955.db2.gz OIUKKSLDGDMFGX-FQEVSTJZSA-N 1 0 488.474 4.957 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CC3)n2Cc2cc(Br)cs2)CC1 ZINC001360095058 1064968229 /nfs/dbraw/zinc/96/82/29/1064968229.db2.gz VPYBXFHGFIINNN-UHFFFAOYSA-N 1 0 452.466 4.584 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cnn(C)c2)CC1 ZINC001360095836 1064970639 /nfs/dbraw/zinc/97/06/39/1064970639.db2.gz QLGQYDZMQOEGFY-UHFFFAOYSA-N 1 0 488.105 4.562 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)c2ccc(F)cc2)CC1 ZINC001360096049 1064971699 /nfs/dbraw/zinc/97/16/99/1064971699.db2.gz VTRPYQGVEAPVIU-HSZRJFAPSA-N 1 0 457.638 4.803 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749546 1064972871 /nfs/dbraw/zinc/97/28/71/1064972871.db2.gz NSWDWOJUALHIMO-UUOWRZLLSA-N 1 0 458.002 4.878 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)cc1 ZINC001360097440 1064974800 /nfs/dbraw/zinc/97/48/00/1064974800.db2.gz HWMCZOWHVRIHHR-UHFFFAOYSA-N 1 0 463.399 4.542 20 0 JJADRO Cc1cc(Br)c(CC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC001435750004 1064974702 /nfs/dbraw/zinc/97/47/02/1064974702.db2.gz WPFBHIMJYSQTOG-ORAYPTAESA-N 1 0 459.812 4.963 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001360097652 1064975315 /nfs/dbraw/zinc/97/53/15/1064975315.db2.gz OYWYTJSQQLBYAJ-NHCUHLMSSA-N 1 0 450.002 4.616 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360097565 1064975565 /nfs/dbraw/zinc/97/55/65/1064975565.db2.gz LRCQVNFBUZVNSW-CVEARBPZSA-N 1 0 452.466 4.878 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001360098252 1064977386 /nfs/dbraw/zinc/97/73/86/1064977386.db2.gz MBQLYKOHWZTTFA-UHFFFAOYSA-N 1 0 468.049 4.805 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001360098371 1064978229 /nfs/dbraw/zinc/97/82/29/1064978229.db2.gz PNWKDDXOBPFRRW-UHFFFAOYSA-N 1 0 488.467 4.704 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001360100069 1064979167 /nfs/dbraw/zinc/97/91/67/1064979167.db2.gz GJANSYZEZJIBEI-HXUWFJFHSA-N 1 0 464.452 4.649 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001360099936 1064979272 /nfs/dbraw/zinc/97/92/72/1064979272.db2.gz DUEGGBHQIFKSIL-NRFANRHFSA-N 1 0 493.700 4.535 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001360101334 1064980595 /nfs/dbraw/zinc/98/05/95/1064980595.db2.gz LIAWWZXGDZCBKJ-NRFANRHFSA-N 1 0 466.045 4.967 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001360101224 1064981015 /nfs/dbraw/zinc/98/10/15/1064981015.db2.gz ITPSOWOARRWJFP-GOTSBHOMSA-N 1 0 474.093 4.896 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001360101409 1064981727 /nfs/dbraw/zinc/98/17/27/1064981727.db2.gz ODRKYZGYLFRLNL-UHFFFAOYSA-N 1 0 483.657 4.899 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001360101625 1064981883 /nfs/dbraw/zinc/98/18/83/1064981883.db2.gz VHDFGJIKXZDZSY-NRFANRHFSA-N 1 0 455.647 4.869 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cn2ccc3ccccc32)nnc1N1CCC=C(Br)C1 ZINC001360103474 1064983124 /nfs/dbraw/zinc/98/31/24/1064983124.db2.gz NAEZVNJYIJLXFI-UHFFFAOYSA-N 1 0 471.447 4.500 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC2CC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360103482 1064983369 /nfs/dbraw/zinc/98/33/69/1064983369.db2.gz NIVWDIUCURUAGR-KRWDZBQOSA-N 1 0 470.609 4.820 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(Cl)cccc2C1 ZINC001360103879 1064983993 /nfs/dbraw/zinc/98/39/93/1064983993.db2.gz BKYREECVRJJERU-UHFFFAOYSA-N 1 0 477.838 4.592 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001360103572 1064984015 /nfs/dbraw/zinc/98/40/15/1064984015.db2.gz QVBPGNLUDYGNLL-UBFVSLLYSA-N 1 0 467.702 4.996 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360103811 1064984352 /nfs/dbraw/zinc/98/43/52/1064984352.db2.gz YTCQSCUPIGOKFN-HSZRJFAPSA-N 1 0 453.675 4.730 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360104225 1064984752 /nfs/dbraw/zinc/98/47/52/1064984752.db2.gz NQGZHOWJOJGFTQ-UHFFFAOYSA-N 1 0 490.343 4.886 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360103942 1064984904 /nfs/dbraw/zinc/98/49/04/1064984904.db2.gz DYCVHKJCKBKKFW-CQSZACIVSA-N 1 0 474.369 4.668 20 0 JJADRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccc(F)cc1OC(F)F ZINC001435771568 1064985391 /nfs/dbraw/zinc/98/53/91/1064985391.db2.gz ZTXOWOPXUSDJBX-MQNAVGNWSA-N 1 0 469.507 4.915 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360104736 1064986542 /nfs/dbraw/zinc/98/65/42/1064986542.db2.gz WLWAQWGJDWMEBT-UHFFFAOYSA-N 1 0 491.080 4.774 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCOC2(CCCCC2)C1 ZINC001360106418 1064987179 /nfs/dbraw/zinc/98/71/79/1064987179.db2.gz CCQIYWKNBWTRHV-UHFFFAOYSA-N 1 0 476.463 4.587 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N(C)CC1CC(F)(F)C1 ZINC001360106825 1064988826 /nfs/dbraw/zinc/98/88/26/1064988826.db2.gz SNKBBDQJABHHOV-UHFFFAOYSA-N 1 0 456.379 4.529 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360106806 1064989102 /nfs/dbraw/zinc/98/91/02/1064989102.db2.gz RVOABUSSDHRELR-UHFFFAOYSA-N 1 0 472.353 4.747 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001360111113 1064992310 /nfs/dbraw/zinc/99/23/10/1064992310.db2.gz YXDMZGURSZVFTN-YTFSRNRJSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001360111111 1064992435 /nfs/dbraw/zinc/99/24/35/1064992435.db2.gz YXDMZGURSZVFTN-RJGXRXQPSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360113269 1064994728 /nfs/dbraw/zinc/99/47/28/1064994728.db2.gz VIWWNYVNOBFADC-QHCPKHFHSA-N 1 0 471.690 4.746 20 0 JJADRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H](Oc3ccc(Br)cc3)c3ccccc3)C2)CC1 ZINC001435797180 1064995288 /nfs/dbraw/zinc/99/52/88/1064995288.db2.gz LVDAZSGNDNSYQV-NFBKMPQASA-N 1 0 457.412 4.760 20 0 JJADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360113450 1064995494 /nfs/dbraw/zinc/99/54/94/1064995494.db2.gz BJJAYTBFSSTNGI-UHFFFAOYSA-N 1 0 467.637 4.887 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCSC2)C1 ZINC001360113349 1064995585 /nfs/dbraw/zinc/99/55/85/1064995585.db2.gz XTCFNWUCCCOHKL-SANMLTNESA-N 1 0 471.715 4.828 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001360113812 1064996181 /nfs/dbraw/zinc/99/61/81/1064996181.db2.gz PLJQLEKHHJUCQY-NHCUHLMSSA-N 1 0 479.616 4.775 20 0 JJADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360115654 1064998304 /nfs/dbraw/zinc/99/83/04/1064998304.db2.gz FJIYTDRMQNXSJF-DEOSSOPVSA-N 1 0 464.633 4.938 20 0 JJADRO Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(NC(=O)CC[NH+](C)C)c3)c3c2CCCC3)cc1 ZINC001435802160 1064998795 /nfs/dbraw/zinc/99/87/95/1064998795.db2.gz LUAYSNUXBLXYHP-UHFFFAOYSA-N 1 0 459.594 4.510 20 0 JJADRO Cc1ccc(NC(=O)c2cc(C)c(Br)c(Cl)c2)cc1NC(=O)CC[NH+](C)C ZINC001435803046 1065000015 /nfs/dbraw/zinc/00/00/15/1065000015.db2.gz TXYWNZNMNLBCAL-UHFFFAOYSA-N 1 0 452.780 4.862 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+](C)C1CCCC1 ZINC001360118755 1065005329 /nfs/dbraw/zinc/00/53/29/1065005329.db2.gz PWFRRRUTJIKHQC-UHFFFAOYSA-N 1 0 475.435 4.918 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360121103 1065009329 /nfs/dbraw/zinc/00/93/29/1065009329.db2.gz KIEGFBJAICMDKM-LJQANCHMSA-N 1 0 495.678 4.766 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@H]1CCCO1)C(C)C ZINC001360123361 1065014180 /nfs/dbraw/zinc/01/41/80/1065014180.db2.gz GCGFKSLTWMYYKK-LEWJYISDSA-N 1 0 493.494 4.692 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001360123383 1065014210 /nfs/dbraw/zinc/01/42/10/1065014210.db2.gz GUKNCXBSNJBOIB-UHFFFAOYSA-N 1 0 471.646 4.595 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2Br)nnc1N1CCOCC2(CC2)C1)C(C)C ZINC001360123528 1065014362 /nfs/dbraw/zinc/01/43/62/1065014362.db2.gz IEVYZAHSYSBACF-UHFFFAOYSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C(C)C ZINC001360123613 1065014925 /nfs/dbraw/zinc/01/49/25/1065014925.db2.gz KWUJEWHGPNLUIC-UHFFFAOYSA-N 1 0 489.108 4.802 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360123941 1065015746 /nfs/dbraw/zinc/01/57/46/1065015746.db2.gz QCSXEVOJINBTQT-JOCHJYFZSA-N 1 0 452.672 4.861 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(F)F)C1)C(C)C ZINC001360124291 1065016650 /nfs/dbraw/zinc/01/66/50/1065016650.db2.gz ZPDJJZOELANEMB-FQEVSTJZSA-N 1 0 477.600 4.707 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001360124254 1065016773 /nfs/dbraw/zinc/01/67/73/1065016773.db2.gz ZAEQDNCTWUWWCZ-BGYRXZFFSA-N 1 0 488.702 4.621 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1)C(C)C ZINC001360125813 1065018882 /nfs/dbraw/zinc/01/88/82/1065018882.db2.gz WGRSRYNHNLZJFR-HXUWFJFHSA-N 1 0 484.048 4.555 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(Br)o1)C(C)C ZINC001360126093 1065019093 /nfs/dbraw/zinc/01/90/93/1065019093.db2.gz HADFXTAPAHXKLN-GOSISDBHSA-N 1 0 468.440 4.630 20 0 JJADRO CC(C)[NH+](CCCn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1C(C)(C)C)C(C)C ZINC001360126350 1065019910 /nfs/dbraw/zinc/01/99/10/1065019910.db2.gz OTASYEKCXKPEDV-UHFFFAOYSA-N 1 0 486.680 4.576 20 0 JJADRO CC(C)[NH+](CCCn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1C(C)(C)C)C(C)C ZINC001360126840 1065020704 /nfs/dbraw/zinc/02/07/04/1065020704.db2.gz WXOVGVZFQNSKCJ-HXUWFJFHSA-N 1 0 464.699 4.530 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1)C(C)C ZINC001360128775 1065023603 /nfs/dbraw/zinc/02/36/03/1065023603.db2.gz IYKRVCBTRPNNMY-DEOSSOPVSA-N 1 0 466.674 4.807 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C)C(C)C ZINC001360128909 1065023744 /nfs/dbraw/zinc/02/37/44/1065023744.db2.gz PBXWJUIXKIVEDK-BGYRXZFFSA-N 1 0 460.464 4.919 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(F)cc2Br)nnc1N(C)C1CCC1)C(C)C ZINC001360129076 1065024128 /nfs/dbraw/zinc/02/41/28/1065024128.db2.gz RLQPZKAQVGBLKW-UHFFFAOYSA-N 1 0 452.416 4.954 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2Cl)nnc1N(C)C1CCC2(CC1)OCCO2)C(C)C ZINC001360128957 1065024253 /nfs/dbraw/zinc/02/42/53/1065024253.db2.gz PYUUFOVZRIOYNK-UHFFFAOYSA-N 1 0 476.065 4.839 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@@H]1CCCCO1)C(C)C ZINC001360128884 1065024336 /nfs/dbraw/zinc/02/43/36/1065024336.db2.gz KTKSFAHPTFVDBG-QFIPXVFZSA-N 1 0 466.630 4.724 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001360129504 1065025280 /nfs/dbraw/zinc/02/52/80/1065025280.db2.gz WNIXRDFZVWRMGZ-SZPZYZBQSA-N 1 0 481.641 4.850 20 0 JJADRO CCCOc1c(Br)cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC001435853880 1065025523 /nfs/dbraw/zinc/02/55/23/1065025523.db2.gz XQCKJAMABSBIQJ-CVEARBPZSA-N 1 0 453.421 4.629 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1)C(C)C ZINC001360132761 1065027615 /nfs/dbraw/zinc/02/76/15/1065027615.db2.gz LVXSFQYBYPKOHP-HXUWFJFHSA-N 1 0 474.719 4.996 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ccsc1)C(C)C ZINC001360132648 1065027691 /nfs/dbraw/zinc/02/76/91/1065027691.db2.gz LBZXKFPRPYVYFV-JOCHJYFZSA-N 1 0 455.628 4.607 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C2CC2)C1)C(C)C ZINC001360133412 1065028647 /nfs/dbraw/zinc/02/86/47/1065028647.db2.gz RPEPMVLYJFWYQA-PKTZIBPZSA-N 1 0 488.721 4.748 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1)C(C)C ZINC001360133435 1065028855 /nfs/dbraw/zinc/02/88/55/1065028855.db2.gz RXIMSFTYXCYWDM-VXKWHMMOSA-N 1 0 460.066 4.504 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCCC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001360133684 1065029091 /nfs/dbraw/zinc/02/90/91/1065029091.db2.gz XVTBKOPTFZMNPW-NRFANRHFSA-N 1 0 462.683 4.548 20 0 JJADRO CC(C)[NH+](CCn1c(Cn2ccc3ccccc32)nnc1N(C)CC1CC(F)(F)C1)C(C)C ZINC001360134727 1065031076 /nfs/dbraw/zinc/03/10/76/1065031076.db2.gz NNJHYESGVKMPOB-UHFFFAOYSA-N 1 0 458.601 4.881 20 0 JJADRO CC(C)[NH+](CCn1c(COc2ccc(F)cc2)nnc1N1CCc2sccc2C1)C(C)C ZINC001360135084 1065031675 /nfs/dbraw/zinc/03/16/75/1065031675.db2.gz REVMCRXFTWIOCN-UHFFFAOYSA-N 1 0 457.619 4.739 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCO2)nnc1N1Cc2cccc(Br)c2C1)C(C)C ZINC001360135188 1065031710 /nfs/dbraw/zinc/03/17/10/1065031710.db2.gz RZZXGESMGMWFSB-HXUWFJFHSA-N 1 0 462.436 4.531 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(CCc3ccccc3)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001360136203 1065032499 /nfs/dbraw/zinc/03/24/99/1065032499.db2.gz IGFAAPMVVPUYTK-NRFANRHFSA-N 1 0 467.683 4.558 20 0 JJADRO CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435865428 1065033375 /nfs/dbraw/zinc/03/33/75/1065033375.db2.gz MJDZDYGIRDCFGK-DQEYMECFSA-N 1 0 455.046 4.811 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccccc2)C1 ZINC001360139339 1065036127 /nfs/dbraw/zinc/03/61/27/1065036127.db2.gz QJECCRUJMAMZGA-IBGZPJMESA-N 1 0 471.447 4.793 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3F)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001360140221 1065036861 /nfs/dbraw/zinc/03/68/61/1065036861.db2.gz ZMZDPPMETLRUCB-QGZVFWFLSA-N 1 0 493.553 4.593 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC001360140642 1065038257 /nfs/dbraw/zinc/03/82/57/1065038257.db2.gz HZIYHPQUBYZJPA-CCLJQVCVSA-N 1 0 499.750 4.986 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC3CC3)nnc2N(C)CCc2ccc(Br)cc2)C1 ZINC001360140662 1065038372 /nfs/dbraw/zinc/03/83/72/1065038372.db2.gz IJSPVOLXJMBKAR-NRFANRHFSA-N 1 0 474.491 4.792 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)C1 ZINC001360141298 1065039414 /nfs/dbraw/zinc/03/94/14/1065039414.db2.gz NVQAEYSSKMIFCA-SFHVURJKSA-N 1 0 475.062 4.724 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccccc3F)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)C1 ZINC001360141422 1065040200 /nfs/dbraw/zinc/04/02/00/1065040200.db2.gz OXNFPARWOMXBOH-WSTZPKSXSA-N 1 0 467.555 4.763 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001360141590 1065040493 /nfs/dbraw/zinc/04/04/93/1065040493.db2.gz QMYJJDZFERLLRS-WSTZPKSXSA-N 1 0 451.631 4.778 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)s2)C1 ZINC001360142154 1065041658 /nfs/dbraw/zinc/04/16/58/1065041658.db2.gz UNKZHEIFWWNCSP-LJQANCHMSA-N 1 0 459.063 4.736 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360142190 1065041829 /nfs/dbraw/zinc/04/18/29/1065041829.db2.gz UXPOFYACCWMFBV-FGZHOGPDSA-N 1 0 460.066 4.506 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@](O)(Cc3cccc(Cl)c3)C2)C1 ZINC001360142231 1065041964 /nfs/dbraw/zinc/04/19/64/1065041964.db2.gz VOTWSVOOPZPGPK-AMGIVPHBSA-N 1 0 488.120 4.824 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360142465 1065042585 /nfs/dbraw/zinc/04/25/85/1065042585.db2.gz WXCLZBZMPVYROG-SFHVURJKSA-N 1 0 481.538 4.815 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CCCOc2ccccc2)C1 ZINC001360142449 1065042638 /nfs/dbraw/zinc/04/26/38/1065042638.db2.gz WNEBXHAYJNMEQJ-LADGPHEKSA-N 1 0 455.647 4.545 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCC(F)(F)F)CC1 ZINC001360143655 1065044662 /nfs/dbraw/zinc/04/46/62/1065044662.db2.gz KNXGYXZGRULOEN-UHFFFAOYSA-N 1 0 461.536 4.598 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CC(F)(F)Br)CC1 ZINC001360144719 1065046647 /nfs/dbraw/zinc/04/66/47/1065046647.db2.gz UAFMJKCYBSTTJG-UHFFFAOYSA-N 1 0 462.770 4.507 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3F)n2Cc2ccsc2Br)CC1 ZINC001360144860 1065046801 /nfs/dbraw/zinc/04/68/01/1065046801.db2.gz ZPUSGVBAGGTMOG-UHFFFAOYSA-N 1 0 478.435 4.877 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001545893973 1065048988 /nfs/dbraw/zinc/04/89/88/1065048988.db2.gz LTTJTIYUNRVJGR-OALUTQOASA-N 1 0 486.627 4.630 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001360147230 1065049334 /nfs/dbraw/zinc/04/93/34/1065049334.db2.gz NGLFDGMCKXMVEM-UHFFFAOYSA-N 1 0 461.582 4.501 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360146933 1065049398 /nfs/dbraw/zinc/04/93/98/1065049398.db2.gz AQTALXMZZZHVAQ-UHFFFAOYSA-N 1 0 467.702 4.968 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCSC2)CC1 ZINC001360147552 1065050081 /nfs/dbraw/zinc/05/00/81/1065050081.db2.gz ZOUSGQDCDZNJJM-NRFANRHFSA-N 1 0 471.715 4.828 20 0 JJADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360148097 1065050754 /nfs/dbraw/zinc/05/07/54/1065050754.db2.gz QNRWRGXRRGTIKP-UHFFFAOYSA-N 1 0 451.847 4.894 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCc2nccs2)CC1 ZINC001360149174 1065051525 /nfs/dbraw/zinc/05/15/25/1065051525.db2.gz DINIULGASLJYKL-UHFFFAOYSA-N 1 0 465.454 4.872 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001360149280 1065052355 /nfs/dbraw/zinc/05/23/55/1065052355.db2.gz ITWHDYCEMGHDOH-UHFFFAOYSA-N 1 0 493.483 4.573 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001360149459 1065052877 /nfs/dbraw/zinc/05/28/77/1065052877.db2.gz PJGLYWCJROVIBF-SFHVURJKSA-N 1 0 478.504 4.770 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001360150056 1065053671 /nfs/dbraw/zinc/05/36/71/1065053671.db2.gz OFAPCYZFDFJHKV-UHFFFAOYSA-N 1 0 462.520 4.719 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001545894057 1065054447 /nfs/dbraw/zinc/05/44/47/1065054447.db2.gz NKRCCMNHTMCAQP-XMMPIXPASA-N 1 0 496.700 4.669 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)[C@@H](C)C1 ZINC001360150785 1065054642 /nfs/dbraw/zinc/05/46/42/1065054642.db2.gz LRFNWPYOXFLICR-LAUBAEHRSA-N 1 0 452.039 4.582 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2sc3ccc(Br)cc3c2C)[C@H](C)C1 ZINC001360151122 1065055032 /nfs/dbraw/zinc/05/50/32/1065055032.db2.gz RXGGDJBFDXGFBY-KDOFPFPSSA-N 1 0 453.446 4.839 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)[C@@H](C)C1 ZINC001360151022 1065055165 /nfs/dbraw/zinc/05/51/65/1065055165.db2.gz PSUVXLOKQQIBRT-MAUKXSAKSA-N 1 0 455.546 4.696 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)CC1 ZINC001360156140 1065058174 /nfs/dbraw/zinc/05/81/74/1065058174.db2.gz RPNYPHKMMSQGRK-UNMCSNQZSA-N 1 0 498.682 4.939 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(Br)cc1Br)[NH+](C)C ZINC001435922273 1065064793 /nfs/dbraw/zinc/06/47/93/1065064793.db2.gz IGUSGKQJHUTBKU-ACJLOTCBSA-N 1 0 454.206 4.941 20 0 JJADRO CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccccc2CC[NH+](C)C)[C@@H]1c1ccccc1OC ZINC001435946184 1065076042 /nfs/dbraw/zinc/07/60/42/1065076042.db2.gz AWQGOFSYLLTDCV-GJZUVCINSA-N 1 0 451.611 4.518 20 0 JJADRO CCCCN1C(=O)CC[C@H](C(=O)Nc2ccccc2CC[NH+](C)C)[C@@H]1c1ccccc1OC ZINC001435946185 1065076074 /nfs/dbraw/zinc/07/60/74/1065076074.db2.gz AWQGOFSYLLTDCV-NVQXNPDNSA-N 1 0 451.611 4.518 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360222256 1065087191 /nfs/dbraw/zinc/08/71/91/1065087191.db2.gz NFYQIJXOVGIMLA-FCHUYYIVSA-N 1 0 498.691 4.624 20 0 JJADRO Cc1csc(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1I ZINC001435993165 1065097670 /nfs/dbraw/zinc/09/76/70/1065097670.db2.gz BIDXHXNNPQTZKY-INIZCTEOSA-N 1 0 456.393 4.548 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001435995114 1065098951 /nfs/dbraw/zinc/09/89/51/1065098951.db2.gz OBSKZQRGNMYMKC-QHCPKHFHSA-N 1 0 452.549 4.526 20 0 JJADRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC001360284781 1065123546 /nfs/dbraw/zinc/12/35/46/1065123546.db2.gz LMCORILAILOLPG-UHFFFAOYSA-N 1 0 453.970 4.527 20 0 JJADRO CC(C)NC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC001360304353 1065137207 /nfs/dbraw/zinc/13/72/07/1065137207.db2.gz JCQBELCDWDJBDI-UHFFFAOYSA-N 1 0 495.716 4.900 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001360305389 1065139884 /nfs/dbraw/zinc/13/98/84/1065139884.db2.gz OPVRMVIMPUKXPW-INIZCTEOSA-N 1 0 499.448 4.838 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360305670 1065141168 /nfs/dbraw/zinc/14/11/68/1065141168.db2.gz ZKQHKVJPOVFYRD-JCNLHEQBSA-N 1 0 482.417 4.952 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001360309496 1065145180 /nfs/dbraw/zinc/14/51/80/1065145180.db2.gz FNYFFTQMTKDXBP-URVUXULASA-N 1 0 474.694 4.753 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001360309514 1065145191 /nfs/dbraw/zinc/14/51/91/1065145191.db2.gz GLFOLNRYQDMPJW-HSZRJFAPSA-N 1 0 480.632 4.798 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001360309429 1065145355 /nfs/dbraw/zinc/14/53/55/1065145355.db2.gz WPFVMPZIRNNRTQ-UHFFFAOYSA-N 1 0 494.512 4.576 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 ZINC001360314794 1065149901 /nfs/dbraw/zinc/14/99/01/1065149901.db2.gz UEFAYROCLXPXQV-NZQKXSOJSA-N 1 0 455.643 4.756 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001360319761 1065154924 /nfs/dbraw/zinc/15/49/24/1065154924.db2.gz MNVYEBIMZJUEKQ-ZBLYBZFDSA-N 1 0 487.664 4.920 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)c3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320662 1065157280 /nfs/dbraw/zinc/15/72/80/1065157280.db2.gz DFQBWLBOTBOURB-NEKDWFFYSA-N 1 0 483.701 4.681 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)c3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320660 1065157353 /nfs/dbraw/zinc/15/73/53/1065157353.db2.gz DFQBWLBOTBOURB-FIPFOOKPSA-N 1 0 483.701 4.681 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)C3CCCCC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCOC1 ZINC001360320873 1065157777 /nfs/dbraw/zinc/15/77/77/1065157777.db2.gz GZCILCYOSYUBEK-NVQXNPDNSA-N 1 0 461.695 4.742 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2CC[NH+]2CCCCCC2)CCOC1 ZINC001360324925 1065165695 /nfs/dbraw/zinc/16/56/95/1065165695.db2.gz VDELAXPWADDMKZ-HSZRJFAPSA-N 1 0 482.094 4.546 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(C)(C)Oc4ccccc43)c(OCC)c2)CC1 ZINC001436101087 1065180640 /nfs/dbraw/zinc/18/06/40/1065180640.db2.gz HVDHUMGZDLEQSI-QFIPXVFZSA-N 1 0 451.611 4.901 20 0 JJADRO O=C(CCc1nc2cc(Br)ccc2s1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001436114034 1065188997 /nfs/dbraw/zinc/18/89/97/1065188997.db2.gz VXPNCTDMEZUIBK-QGZVFWFLSA-N 1 0 458.425 4.630 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@@H]2c2cccs2)cc1 ZINC001436116031 1065190518 /nfs/dbraw/zinc/19/05/18/1065190518.db2.gz OOTQDVGGDPELQB-ZJSXRUAMSA-N 1 0 453.652 4.779 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360352665 1065200509 /nfs/dbraw/zinc/20/05/09/1065200509.db2.gz VIYGFRSJPJLXRA-BVVSVSJTSA-N 1 0 497.675 4.557 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001360360284 1065213762 /nfs/dbraw/zinc/21/37/62/1065213762.db2.gz SAEFAOKZOAXMLN-ZCYQVOJMSA-N 1 0 469.674 4.716 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001360364268 1065221522 /nfs/dbraw/zinc/22/15/22/1065221522.db2.gz JHQQDWMVEQPVOP-UHFFFAOYSA-N 1 0 466.674 4.949 20 0 JJADRO CC(C)OC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360368131 1065227849 /nfs/dbraw/zinc/22/78/49/1065227849.db2.gz UNDMGLRPBRYQKP-GMKZXUHWSA-N 1 0 475.722 4.855 20 0 JJADRO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC001360371028 1065231141 /nfs/dbraw/zinc/23/11/41/1065231141.db2.gz WVCVPFWWLVFRSK-ZEQRLZLVSA-N 1 0 495.668 4.769 20 0 JJADRO CC(C)OCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001360376415 1065234608 /nfs/dbraw/zinc/23/46/08/1065234608.db2.gz CPIOOEBLIPUDQC-QHCPKHFHSA-N 1 0 483.701 4.606 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c1 ZINC001436191499 1065241491 /nfs/dbraw/zinc/24/14/91/1065241491.db2.gz JPHIRRGVZRBJGT-UHFFFAOYSA-N 1 0 451.517 4.686 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C)c1ccc(Cl)cc1 ZINC001436197206 1065244844 /nfs/dbraw/zinc/24/48/44/1065244844.db2.gz DZCMTDYKJJGVHJ-QHCPKHFHSA-N 1 0 451.998 4.921 20 0 JJADRO CC(C)OCCCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360386755 1065251410 /nfs/dbraw/zinc/25/14/10/1065251410.db2.gz NUXWKAWODZFKNO-ISKFKSNPSA-N 1 0 464.658 4.588 20 0 JJADRO CCn1nc(C(F)(F)F)c(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C(F)F ZINC001436209236 1065252046 /nfs/dbraw/zinc/25/20/46/1065252046.db2.gz JZUXUVSLFOYXCV-NRFANRHFSA-N 1 0 456.459 4.598 20 0 JJADRO CC(C)OCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001360393529 1065257010 /nfs/dbraw/zinc/25/70/10/1065257010.db2.gz OYUBEJKNPOULNP-QHCPKHFHSA-N 1 0 459.704 4.838 20 0 JJADRO CC(C)OCCn1c(-c2ccccc2Br)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001360398735 1065263345 /nfs/dbraw/zinc/26/33/45/1065263345.db2.gz KQNNIJSFZBVQSZ-UHFFFAOYSA-N 1 0 490.490 4.835 20 0 JJADRO Cc1cc(Cl)cc(Br)c1OC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC001436233835 1065270380 /nfs/dbraw/zinc/27/03/80/1065270380.db2.gz GDOXLPKIYJZSKT-SJORKVTESA-N 1 0 454.796 4.564 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001360409358 1065272373 /nfs/dbraw/zinc/27/23/73/1065272373.db2.gz FMKCFFVRNLDNKJ-TZIWHRDSSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCC(F)(F)F)CC1 ZINC001360409732 1065273013 /nfs/dbraw/zinc/27/30/13/1065273013.db2.gz RQFDKVRGDUAFIC-UHFFFAOYSA-N 1 0 465.520 4.581 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCCC2)CC1 ZINC001360409564 1065273351 /nfs/dbraw/zinc/27/33/51/1065273351.db2.gz LZQDOJJANXYMNV-UHFFFAOYSA-N 1 0 453.675 4.980 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001360409742 1065273970 /nfs/dbraw/zinc/27/39/70/1065273970.db2.gz RVYGYGGVFGHLSD-PZJWPPBQSA-N 1 0 490.490 4.691 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)s2)cc1OC ZINC001360411457 1065274487 /nfs/dbraw/zinc/27/44/87/1065274487.db2.gz ACHXOVCLFPKFPH-FQEVSTJZSA-N 1 0 451.592 4.530 20 0 JJADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc(-c2ccc(Br)cc2)ns1 ZINC001360412146 1065275392 /nfs/dbraw/zinc/27/53/92/1065275392.db2.gz MTNKWHGKOOFQPR-IBGZPJMESA-N 1 0 456.409 4.967 20 0 JJADRO COc1ccc(Br)c(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c1 ZINC001436255750 1065276132 /nfs/dbraw/zinc/27/61/32/1065276132.db2.gz UVLKCRWAFJLLSF-UHFFFAOYSA-N 1 0 453.764 4.836 20 0 JJADRO Cc1nc(C(C)C)sc1C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC001436259406 1065278723 /nfs/dbraw/zinc/27/87/23/1065278723.db2.gz SCISIVBXMUWAHD-CYBMUJFWSA-N 1 0 451.434 4.730 20 0 JJADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccccc1OCC1CC1 ZINC001436259926 1065278794 /nfs/dbraw/zinc/27/87/94/1065278794.db2.gz ZYJQZAFYMNJCMI-MRXNPFEDSA-N 1 0 458.400 4.631 20 0 JJADRO CC(C)SCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001360416704 1065279918 /nfs/dbraw/zinc/27/99/18/1065279918.db2.gz IQFXJFBQMYUZQQ-QHCPKHFHSA-N 1 0 471.715 4.685 20 0 JJADRO CC(C)SCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001360417448 1065281425 /nfs/dbraw/zinc/28/14/25/1065281425.db2.gz WLDHPQBFCGZTOR-KRWDZBQOSA-N 1 0 482.467 4.663 20 0 JJADRO C[C@@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001436279434 1065285316 /nfs/dbraw/zinc/28/53/16/1065285316.db2.gz MBCNRNBSORHJRH-FQEVSTJZSA-N 1 0 459.428 4.979 20 0 JJADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001436281564 1065286334 /nfs/dbraw/zinc/28/63/34/1065286334.db2.gz UQTLKDHISPPFAV-SFHVURJKSA-N 1 0 454.977 4.626 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360428677 1065301451 /nfs/dbraw/zinc/30/14/51/1065301451.db2.gz NXLFLKFKGCCBQA-IBGZPJMESA-N 1 0 468.596 4.862 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360429372 1065304225 /nfs/dbraw/zinc/30/42/25/1065304225.db2.gz UWXLGLWDBYDKRJ-RTBURBONSA-N 1 0 461.601 4.912 20 0 JJADRO Cc1nc2cccc(Cl)c2cc1C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC001360432305 1065309199 /nfs/dbraw/zinc/30/91/99/1065309199.db2.gz KVZJTYGQAGCGSU-UHFFFAOYSA-N 1 0 451.958 4.665 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCc1ccc(C)cc1 ZINC001545897757 1065310370 /nfs/dbraw/zinc/31/03/70/1065310370.db2.gz GCLIBTYBBIRISA-UKILVPOCSA-N 1 0 494.728 4.838 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360433430 1065311849 /nfs/dbraw/zinc/31/18/49/1065311849.db2.gz RDKSKZNPHKDPGH-QFUCXCTJSA-N 1 0 457.619 4.873 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC001436429360 1065317295 /nfs/dbraw/zinc/31/72/95/1065317295.db2.gz DUJLRBDFJVTTKE-AHKZPQOWSA-N 1 0 450.623 4.660 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360437170 1065317968 /nfs/dbraw/zinc/31/79/68/1065317968.db2.gz DWQFECJTARUGBE-SMXKYELJSA-N 1 0 489.705 4.971 20 0 JJADRO CC(C)[NH+](CCCn1c(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C)C(C)C ZINC001360438731 1065320511 /nfs/dbraw/zinc/32/05/11/1065320511.db2.gz YPKWSYBWRHCMSD-FQEVSTJZSA-N 1 0 477.719 4.685 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360439702 1065322202 /nfs/dbraw/zinc/32/22/02/1065322202.db2.gz LSKAQSHKKPSNBX-CZQDDWNMSA-N 1 0 473.712 4.875 20 0 JJADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360439635 1065322298 /nfs/dbraw/zinc/32/22/98/1065322298.db2.gz LAUFBNLTPGTWOY-HXUWFJFHSA-N 1 0 487.714 4.659 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360439705 1065322344 /nfs/dbraw/zinc/32/23/44/1065322344.db2.gz LSKAQSHKKPSNBX-SHNLADLASA-N 1 0 473.712 4.875 20 0 JJADRO CC[NH+]1CCC(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)(C(F)(F)F)CC1 ZINC001436460427 1065323755 /nfs/dbraw/zinc/32/37/55/1065323755.db2.gz DWIGHHVBQMMFHK-UHFFFAOYSA-N 1 0 455.521 4.521 20 0 JJADRO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CC[NH+]1CCCCCC1 ZINC001360442498 1065327482 /nfs/dbraw/zinc/32/74/82/1065327482.db2.gz OGZKQHMFZYISMX-KGMZSHBCSA-N 1 0 485.723 4.741 20 0 JJADRO C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cccn2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360443862 1065330499 /nfs/dbraw/zinc/33/04/99/1065330499.db2.gz ITHXSAVEEDMIPF-DVECYGJZSA-N 1 0 450.631 4.697 20 0 JJADRO C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCCCC1 ZINC001360444379 1065331230 /nfs/dbraw/zinc/33/12/30/1065331230.db2.gz SNDBKMVYXBMOQY-KRWDZBQOSA-N 1 0 487.446 4.815 20 0 JJADRO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001360445417 1065333073 /nfs/dbraw/zinc/33/30/73/1065333073.db2.gz BRVJHHNMACQEQN-OUVAMTEUSA-N 1 0 455.647 4.582 20 0 JJADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360448450 1065339465 /nfs/dbraw/zinc/33/94/65/1065339465.db2.gz RDIYZONPWIJSRP-IRLDBZIGSA-N 1 0 496.725 4.887 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1cnc(SC2CCCC2)nc1 ZINC001436529497 1065346663 /nfs/dbraw/zinc/34/66/63/1065346663.db2.gz SFNASSMDFICRJF-ILBGXUMGSA-N 1 0 466.695 4.964 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCN(c2ccccc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001436531390 1065347212 /nfs/dbraw/zinc/34/72/12/1065347212.db2.gz MVXBNZYAGUEBML-JTSKRJEESA-N 1 0 451.508 4.870 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360454717 1065352889 /nfs/dbraw/zinc/35/28/89/1065352889.db2.gz PSKZIRYFUSPQFX-LJQANCHMSA-N 1 0 498.672 4.871 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccccc1F)C(C)C ZINC001360454949 1065354165 /nfs/dbraw/zinc/35/41/65/1065354165.db2.gz VYUUSYVNCRCELO-OAQYLSRUSA-N 1 0 477.632 4.972 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001360459017 1065359491 /nfs/dbraw/zinc/35/94/91/1065359491.db2.gz RVDCYUNTBMYUEE-PMACEKPBSA-N 1 0 486.661 4.667 20 0 JJADRO CCc1nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1-c1ccccc1Cl ZINC001360459511 1065361229 /nfs/dbraw/zinc/36/12/29/1065361229.db2.gz JNSFUMNJAMTYET-AZUAARDMSA-N 1 0 452.002 4.608 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(CCCc2ccccc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360459633 1065361947 /nfs/dbraw/zinc/36/19/47/1065361947.db2.gz XOXRIKVFUDAMSB-NBGIEHNGSA-N 1 0 453.656 4.681 20 0 JJADRO CCC[C@@H]1CN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)CC[N@@H+]1CCOC ZINC001545899528 1065367345 /nfs/dbraw/zinc/36/73/45/1065367345.db2.gz SUZOUXDNBWVEKY-LJQANCHMSA-N 1 0 451.398 4.705 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001360461555 1065368482 /nfs/dbraw/zinc/36/84/82/1065368482.db2.gz XINWJSNJFFCJPN-FXAWDEMLSA-N 1 0 496.612 4.502 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001360461556 1065368505 /nfs/dbraw/zinc/36/85/05/1065368505.db2.gz XINWJSNJFFCJPN-PXNSSMCTSA-N 1 0 496.612 4.502 20 0 JJADRO C[C@@H](c1ccsc1)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001360465926 1065375407 /nfs/dbraw/zinc/37/54/07/1065375407.db2.gz DKJLLWKENNMYIC-FQEVSTJZSA-N 1 0 458.720 4.642 20 0 JJADRO CC1(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001436577678 1065377625 /nfs/dbraw/zinc/37/76/25/1065377625.db2.gz RXLCRTDLMHEHEP-UHFFFAOYSA-N 1 0 456.586 4.962 20 0 JJADRO CCc1ccc(-c2nc(CC(=O)Nc3cccc(NC(=O)C[NH+](CC)CC)c3)cs2)cc1 ZINC001436579943 1065378705 /nfs/dbraw/zinc/37/87/05/1065378705.db2.gz MXDHBSIBGSUIGP-UHFFFAOYSA-N 1 0 450.608 4.834 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001360467063 1065380183 /nfs/dbraw/zinc/38/01/83/1065380183.db2.gz RSSZEEOPINGLON-KCZVDYSFSA-N 1 0 475.703 4.568 20 0 JJADRO CC(=O)c1ccc(OCCCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001436632424 1065408892 /nfs/dbraw/zinc/40/88/92/1065408892.db2.gz YRGYKGJHFMRZCO-WUFINQPMSA-N 1 0 474.576 4.972 20 0 JJADRO C[C@@H](Cc1cccs1)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360499469 1065420565 /nfs/dbraw/zinc/42/05/65/1065420565.db2.gz FZGQFUVWFQDYME-FQEVSTJZSA-N 1 0 454.688 4.782 20 0 JJADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C1 ZINC001436714736 1065427623 /nfs/dbraw/zinc/42/76/23/1065427623.db2.gz JHGXZISHOSJLKZ-INIZCTEOSA-N 1 0 452.780 4.845 20 0 JJADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C1 ZINC001436714739 1065428485 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ZINC001360505696 1065442351 /nfs/dbraw/zinc/44/23/51/1065442351.db2.gz SOESXVKMUVTWSE-QWCLOBKNSA-N 1 0 480.682 4.539 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(Br)c1)[NH+]1CCCCC1 ZINC001360508627 1065448177 /nfs/dbraw/zinc/44/81/77/1065448177.db2.gz GJNMIRBPYXNEBU-TZIWHRDSSA-N 1 0 490.490 4.836 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360509088 1065449035 /nfs/dbraw/zinc/44/90/35/1065449035.db2.gz NJZPKEWDAMTDHE-AZUAARDMSA-N 1 0 457.585 4.953 20 0 JJADRO C[C@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360510049 1065451525 /nfs/dbraw/zinc/45/15/25/1065451525.db2.gz CMSSJECLUSTISJ-YLJYHZDGSA-N 1 0 485.982 4.554 20 0 JJADRO C[C@@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360510046 1065451532 /nfs/dbraw/zinc/45/15/32/1065451532.db2.gz CMSSJECLUSTISJ-FXAWDEMLSA-N 1 0 485.982 4.554 20 0 JJADRO C[C@H](CCn1c(N(C)CC2CN(C(=O)OCc3ccccc3)C2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360510196 1065452443 /nfs/dbraw/zinc/45/24/43/1065452443.db2.gz GBVUTXTXOIWGIJ-JOCHJYFZSA-N 1 0 496.700 4.545 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC001436849064 1065452607 /nfs/dbraw/zinc/45/26/07/1065452607.db2.gz VMAXSBUUISVLAX-OXQOHEQNSA-N 1 0 471.812 4.679 20 0 JJADRO C[C@H](CCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(Br)c1)[NH+]1CCCCC1 ZINC001360510583 1065454873 /nfs/dbraw/zinc/45/48/73/1065454873.db2.gz NWPPQOFVLAKSDG-HXUWFJFHSA-N 1 0 497.485 4.927 20 0 JJADRO C[C@@H](CCn1c(COc2ccccc2F)nnc1N(C)CC1CC(F)(F)C1)[NH+]1CCCCC1 ZINC001360511193 1065456487 /nfs/dbraw/zinc/45/64/87/1065456487.db2.gz UZNFWFNHZPACTM-SFHVURJKSA-N 1 0 465.564 4.742 20 0 JJADRO C[C@@H](CCn1c(Cc2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCCCC1 ZINC001360511367 1065456514 /nfs/dbraw/zinc/45/65/14/1065456514.db2.gz WCVYSLPYBFZPRC-SFHVURJKSA-N 1 0 472.559 4.582 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)[NH+]1CCCCC1 ZINC001360511549 1065457093 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/nfs/dbraw/zinc/51/78/22/1065517822.db2.gz JBEWAQOGJBSNDO-HNNXBMFYSA-N 1 0 483.604 4.573 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CC1CC(F)(F)C1)[NH+](C)C ZINC001360540763 1065526232 /nfs/dbraw/zinc/52/62/32/1065526232.db2.gz IARGNHVSFORBEC-KRWDZBQOSA-N 1 0 459.541 4.549 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360541012 1065526844 /nfs/dbraw/zinc/52/68/44/1065526844.db2.gz KSZVWYIYRRRVAH-HXUWFJFHSA-N 1 0 496.700 4.782 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NCCc1ccc2c(c1)OC(F)(F)O2)c1cccc(C(F)(F)F)c1 ZINC001437271839 1065527812 /nfs/dbraw/zinc/52/78/12/1065527812.db2.gz WLGNFAXFJBXWCW-IBGZPJMESA-N 1 0 458.427 4.769 20 0 JJADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001437278212 1065528907 /nfs/dbraw/zinc/52/89/07/1065528907.db2.gz OXTCZSYWZQOFIJ-VFNWGFHPSA-N 1 0 451.792 4.651 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001360541783 1065529658 /nfs/dbraw/zinc/52/96/58/1065529658.db2.gz TZMUFVZTTWCZJQ-DOTOQJQBSA-N 1 0 497.471 4.696 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(OC(F)F)c1)[N@H+](C)C1CC1 ZINC001360542150 1065530783 /nfs/dbraw/zinc/53/07/83/1065530783.db2.gz RMPILWLIYFCIJR-OAHLLOKOSA-N 1 0 476.959 4.714 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)[NH+](C)C ZINC001360542377 1065531431 /nfs/dbraw/zinc/53/14/31/1065531431.db2.gz UXSQQNUEAWXUEA-AWEZNQCLSA-N 1 0 499.944 4.745 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001360544282 1065533224 /nfs/dbraw/zinc/53/32/24/1065533224.db2.gz FUQQVMSKOVPQGI-LJQANCHMSA-N 1 0 488.652 4.650 20 0 JJADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001437313285 1065535484 /nfs/dbraw/zinc/53/54/84/1065535484.db2.gz HVMNDPIUGIWALR-LXGFNABISA-N 1 0 457.412 4.825 20 0 JJADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1c(F)ccc(Br)c1F ZINC001437319410 1065536845 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/nfs/dbraw/zinc/55/21/67/1065552167.db2.gz COBBRQRBTKQPEZ-MRXNPFEDSA-N 1 0 458.393 4.589 20 0 JJADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC001360562904 1065553185 /nfs/dbraw/zinc/55/31/85/1065553185.db2.gz GFOBLEUNEQEZMW-FGZHOGPDSA-N 1 0 496.700 4.902 20 0 JJADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001437469576 1065557126 /nfs/dbraw/zinc/55/71/26/1065557126.db2.gz XPTHRXPMYCVOBY-RXVVDRJESA-N 1 0 453.023 4.542 20 0 JJADRO CC[NH+](CC)CCN(C(=O)C1(c2cncc(Br)c2)CC1)c1ccc(Cl)cc1 ZINC001437469264 1065557199 /nfs/dbraw/zinc/55/71/99/1065557199.db2.gz WBQGLHUDANZZRL-UHFFFAOYSA-N 1 0 450.808 4.904 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)c3ccccc3)CC2)CC1 ZINC001360568159 1065560126 /nfs/dbraw/zinc/56/01/26/1065560126.db2.gz AXOJIHLDIJLHPQ-QHCPKHFHSA-N 1 0 466.718 4.665 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1)Oc1ccccc1F ZINC001360570683 1065563740 /nfs/dbraw/zinc/56/37/40/1065563740.db2.gz UKVRQPCKQYMSHN-HXUWFJFHSA-N 1 0 485.673 4.900 20 0 JJADRO C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001360578910 1065574621 /nfs/dbraw/zinc/57/46/21/1065574621.db2.gz OARUJAQAGDUUBC-SFTDATJTSA-N 1 0 492.634 4.604 20 0 JJADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC001437560431 1065576689 /nfs/dbraw/zinc/57/66/89/1065576689.db2.gz DLWFCAKQCAQTJY-FQEVSTJZSA-N 1 0 459.993 4.593 20 0 JJADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC001437586058 1065581828 /nfs/dbraw/zinc/58/18/28/1065581828.db2.gz LPHNPSGAJYFGON-IFMALSPDSA-N 1 0 459.428 4.554 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCOC1)[N@H+](C)C1CC1 ZINC001360583619 1065581932 /nfs/dbraw/zinc/58/19/32/1065581932.db2.gz HBJLRUXETZPCKY-LEWJYISDSA-N 1 0 469.674 4.500 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1)[N@H+](C)C1CC1 ZINC001360583723 1065582354 /nfs/dbraw/zinc/58/23/54/1065582354.db2.gz IMSUQJXCDLCZNF-AWEZNQCLSA-N 1 0 474.383 4.882 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+](C)C ZINC001360583799 1065582533 /nfs/dbraw/zinc/58/25/33/1065582533.db2.gz KPWDEWFCFHULLH-RXVVDRJESA-N 1 0 497.606 4.652 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CC(F)(F)C1)[NH+](C)C ZINC001360583904 1065583145 /nfs/dbraw/zinc/58/31/45/1065583145.db2.gz MXNJVVDRENVQDU-ZDUSSCGKSA-N 1 0 462.372 4.596 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1nccs1 ZINC001360584334 1065584191 /nfs/dbraw/zinc/58/41/91/1065584191.db2.gz VPAKXOGQUOOXFA-SFHVURJKSA-N 1 0 472.634 4.567 20 0 JJADRO C[C@H](Cn1c(N2CCC(CCC[NH+]3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001360586232 1065586708 /nfs/dbraw/zinc/58/67/08/1065586708.db2.gz CTVUDBSUIRNBTP-JOCHJYFZSA-N 1 0 453.675 4.708 20 0 JJADRO C[C@H](Cn1c(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360587936 1065590352 /nfs/dbraw/zinc/59/03/52/1065590352.db2.gz VFSGBGCKPYUHAR-OXQOHEQNSA-N 1 0 465.564 4.655 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1Cc1cccs1)[NH+](C)C ZINC001360590365 1065595524 /nfs/dbraw/zinc/59/55/24/1065595524.db2.gz IGVUECVZAFRBBY-ZVDOUQERSA-N 1 0 488.702 4.573 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1Cc1cccs1)[NH+](C)C ZINC001360590364 1065595683 /nfs/dbraw/zinc/59/56/83/1065595683.db2.gz IGVUECVZAFRBBY-SBHAEUEKSA-N 1 0 488.702 4.573 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(F)cc(F)c1)[N@H+](C)C1CC1 ZINC001360590613 1065596211 /nfs/dbraw/zinc/59/62/11/1065596211.db2.gz MZRHPGNHYUVMIV-NPFVIJTESA-N 1 0 461.601 4.594 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(F)cc(F)c1)[N@H+](C)C1CC1 ZINC001360590612 1065596228 /nfs/dbraw/zinc/59/62/28/1065596228.db2.gz MZRHPGNHYUVMIV-KNXBSLHKSA-N 1 0 461.601 4.594 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCCCCC1)C[NH+]1CCCC1 ZINC001360591384 1065598430 /nfs/dbraw/zinc/59/84/30/1065598430.db2.gz CCVVNAOILDXDFB-GOSISDBHSA-N 1 0 463.468 4.549 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C)C1)C[NH+]1CCCC1 ZINC001360591915 1065599418 /nfs/dbraw/zinc/59/94/18/1065599418.db2.gz MGJWXOSXUVJNDY-QYZOEREBSA-N 1 0 464.079 4.745 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360592079 1065599687 /nfs/dbraw/zinc/59/96/87/1065599687.db2.gz OZKSRTMENIMKAD-WIYYLYMNSA-N 1 0 490.490 4.691 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001360592165 1065600153 /nfs/dbraw/zinc/60/01/53/1065600153.db2.gz QJWGKGNBODKBNT-HXUWFJFHSA-N 1 0 492.634 4.659 20 0 JJADRO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001360592496 1065600862 /nfs/dbraw/zinc/60/08/62/1065600862.db2.gz WSWNDUOIAULONX-DHLKQENFSA-N 1 0 483.701 4.605 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)CC1CC(F)(F)C1)C[NH+]1CCCC1 ZINC001360593190 1065602640 /nfs/dbraw/zinc/60/26/40/1065602640.db2.gz FLTMAGVIPBPHCO-INIZCTEOSA-N 1 0 482.417 4.921 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1C)C[NH+]1CCCC1 ZINC001360594068 1065604029 /nfs/dbraw/zinc/60/40/29/1065604029.db2.gz LTRAABOIKYEHTG-CVEARBPZSA-N 1 0 450.400 4.567 20 0 JJADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1C)C[NH+]1CCCC1 ZINC001360594073 1065604098 /nfs/dbraw/zinc/60/40/98/1065604098.db2.gz LTRAABOIKYEHTG-JKSUJKDBSA-N 1 0 450.400 4.567 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@](C)(C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594151 1065604212 /nfs/dbraw/zinc/60/42/12/1065604212.db2.gz LUGJMYPFBFTVGR-CLOONOSVSA-N 1 0 460.066 4.972 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594830 1065605479 /nfs/dbraw/zinc/60/54/79/1065605479.db2.gz RCWPDOPHAGGCOH-CQOQZXRMSA-N 1 0 496.700 4.807 20 0 JJADRO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC001360594719 1065605611 /nfs/dbraw/zinc/60/56/11/1065605611.db2.gz UCCONJJKRLNIAH-IEBWSBKVSA-N 1 0 466.120 4.897 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC001360596645 1065609709 /nfs/dbraw/zinc/60/97/09/1065609709.db2.gz DQNVAIASKUMACK-QZTJIDSGSA-N 1 0 466.457 4.847 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(F)c1)C[NH+]1CCCC1 ZINC001360596567 1065609728 /nfs/dbraw/zinc/60/97/28/1065609728.db2.gz CFAHMGAETUXNRM-WWPVKYPJSA-N 1 0 457.638 4.704 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360596668 1065609793 /nfs/dbraw/zinc/60/97/93/1065609793.db2.gz DZGLWVAFEAUYLV-BURNTYAHSA-N 1 0 476.065 4.807 20 0 JJADRO C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360596670 1065609827 /nfs/dbraw/zinc/60/98/27/1065609827.db2.gz DZGLWVAFEAUYLV-MXEMCNAFSA-N 1 0 476.065 4.807 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC(C)(C)[C@@H]1C)C[NH+]1CCCCC1 ZINC001360596678 1065609837 /nfs/dbraw/zinc/60/98/37/1065609837.db2.gz FBNGGWUMPYKVIJ-MOPGFXCFSA-N 1 0 477.600 4.672 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC(C)(C)OC[C@@H]1C)C[NH+]1CCCCC1 ZINC001360596866 1065611184 /nfs/dbraw/zinc/61/11/84/1065611184.db2.gz JBPASNMGHJFYBC-MOPGFXCFSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001360597011 1065612254 /nfs/dbraw/zinc/61/22/54/1065612254.db2.gz KYHDWOPQNFHBRO-OZXSUGGESA-N 1 0 497.728 4.995 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360597350 1065612898 /nfs/dbraw/zinc/61/28/98/1065612898.db2.gz NKUOBQDHCHCHHK-RBUKOAKNSA-N 1 0 497.594 4.523 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597401 1065613734 /nfs/dbraw/zinc/61/37/34/1065613734.db2.gz OJEYYBNNNFOJLU-IKGGRYGDSA-N 1 0 482.492 4.505 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360597591 1065614549 /nfs/dbraw/zinc/61/45/49/1065614549.db2.gz PWFSZKWLERQYJJ-ZWKOTPCHSA-N 1 0 494.453 4.584 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1F)C[NH+]1CCCCC1 ZINC001360597527 1065614693 /nfs/dbraw/zinc/61/46/93/1065614693.db2.gz OTGSHBYCPBNAEW-QGZVFWFLSA-N 1 0 489.437 4.933 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360597597 1065615244 /nfs/dbraw/zinc/61/52/44/1065615244.db2.gz PXNJTAJAMBMJFV-OMQSBVIBSA-N 1 0 471.612 4.563 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597786 1065615292 /nfs/dbraw/zinc/61/52/92/1065615292.db2.gz RILWHZYHJOIDAS-VXKWHMMOSA-N 1 0 498.691 4.585 20 0 JJADRO CC(C)c1nnc(N(Cc2ccccc2)CC2CCOCC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360597953 1065615902 /nfs/dbraw/zinc/61/59/02/1065615902.db2.gz TXQOWPGKYYQDBA-QHCPKHFHSA-N 1 0 453.675 4.957 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)C[NH+]2CCCCC2)CCS1 ZINC001360598116 1065616746 /nfs/dbraw/zinc/61/67/46/1065616746.db2.gz VMNDBQSOOHTABR-UYAOXDASSA-N 1 0 463.095 4.693 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)C[NH+]2CCCCC2)CCS1 ZINC001360598113 1065616767 /nfs/dbraw/zinc/61/67/67/1065616767.db2.gz VMNDBQSOOHTABR-ICSRJNTNSA-N 1 0 463.095 4.693 20 0 JJADRO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1ccco1)C[NH+]1CCCCC1 ZINC001360598283 1065617369 /nfs/dbraw/zinc/61/73/69/1065617369.db2.gz WHNPDRDNYGVNIE-UXHICEINSA-N 1 0 499.059 4.774 20 0 JJADRO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)c1ccco1)C[NH+]1CCCCC1 ZINC001360598285 1065617514 /nfs/dbraw/zinc/61/75/14/1065617514.db2.gz WHNPDRDNYGVNIE-WOJBJXKFSA-N 1 0 499.059 4.774 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)c1nccs1)C[NH+]1CCCC1 ZINC001360598329 1065617588 /nfs/dbraw/zinc/61/75/88/1065617588.db2.gz XCURKJRGUFDZJJ-XRXFAXGQSA-N 1 0 474.719 4.625 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1)C[NH+]1CCCCC1 ZINC001360598838 1065618867 /nfs/dbraw/zinc/61/88/67/1065618867.db2.gz GKDUAOFOKOULCH-FQEVSTJZSA-N 1 0 489.655 4.755 20 0 JJADRO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC001360599169 1065619964 /nfs/dbraw/zinc/61/99/64/1065619964.db2.gz LGTUOSIZYNYXDD-SFHVURJKSA-N 1 0 473.547 4.512 20 0 JJADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360599166 1065620004 /nfs/dbraw/zinc/62/00/04/1065620004.db2.gz LGIIKMCGGCOVFV-RTWAWAEBSA-N 1 0 488.721 4.797 20 0 JJADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1cc(F)ccc1F)C[NH+]1CCCCC1 ZINC001360599272 1065620642 /nfs/dbraw/zinc/62/06/42/1065620642.db2.gz MZVINBGLIBHHEX-MOPGFXCFSA-N 1 0 456.585 4.881 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360599226 1065620681 /nfs/dbraw/zinc/62/06/81/1065620681.db2.gz MBASPMLEXFSFOB-NRFANRHFSA-N 1 0 452.672 4.862 20 0 JJADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(F)c(Cl)c1)C[NH+]1CCCCC1 ZINC001360599763 1065621436 /nfs/dbraw/zinc/62/14/36/1065621436.db2.gz WFZAVLQOACJYKG-LJQANCHMSA-N 1 0 471.024 4.815 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001360601477 1065623991 /nfs/dbraw/zinc/62/39/91/1065623991.db2.gz AFWKXQJCAILAFR-YADARESESA-N 1 0 496.121 4.792 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)CC1)C[NH+]1CCCCC1 ZINC001360601690 1065624589 /nfs/dbraw/zinc/62/45/89/1065624589.db2.gz FGGUCACYQJEZFZ-PMACEKPBSA-N 1 0 496.647 4.708 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)CC1)C[NH+]1CCCCC1 ZINC001360601691 1065624637 /nfs/dbraw/zinc/62/46/37/1065624637.db2.gz FGGUCACYQJEZFZ-UXHICEINSA-N 1 0 496.647 4.708 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360602142 1065626298 /nfs/dbraw/zinc/62/62/98/1065626298.db2.gz MWDQZDFDWVRGKS-NJDAHSKKSA-N 1 0 463.736 4.651 20 0 JJADRO C[C@H](Cn1c(CC2CC2)nnc1N(C)Cc1csc(Br)c1)C[NH+]1CCCCC1 ZINC001360602895 1065626998 /nfs/dbraw/zinc/62/69/98/1065626998.db2.gz QXTZTUIZMXTGAQ-INIZCTEOSA-N 1 0 466.493 4.813 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)CC(C)(C)C1)C[NH+]1CCOCC1 ZINC001360602973 1065627906 /nfs/dbraw/zinc/62/79/06/1065627906.db2.gz FIYGYCFZTIMWTH-IAGOWNOFSA-N 1 0 496.519 4.610 20 0 JJADRO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C)CC1)C[NH+]1CCCCC1 ZINC001360603916 1065629544 /nfs/dbraw/zinc/62/95/44/1065629544.db2.gz WYNXRSHOUOVEMD-FDFHNCONSA-N 1 0 488.721 4.797 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC001360603983 1065629587 /nfs/dbraw/zinc/62/95/87/1065629587.db2.gz YDNMPFRRJCMIHH-XZOQPEGZSA-N 1 0 483.701 4.749 20 0 JJADRO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C)CC1)C[NH+]1CCCCC1 ZINC001360603917 1065629683 /nfs/dbraw/zinc/62/96/83/1065629683.db2.gz WYNXRSHOUOVEMD-VSKRKVRLSA-N 1 0 488.721 4.797 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C[NH+]1CCOCC1 ZINC001360604813 1065630672 /nfs/dbraw/zinc/63/06/72/1065630672.db2.gz YNGUQIPOQIZUFT-WOIUINJBSA-N 1 0 493.618 4.846 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001438021698 1065652361 /nfs/dbraw/zinc/65/23/61/1065652361.db2.gz GMQYKSKUZUEOJJ-PVIBPIFHSA-N 1 0 469.670 4.687 20 0 JJADRO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001360612669 1065654239 /nfs/dbraw/zinc/65/42/39/1065654239.db2.gz WYSLDUDPUCSVGY-JOCHJYFZSA-N 1 0 498.716 4.740 20 0 JJADRO COc1ccccc1C/C(C)=C/C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438037948 1065657718 /nfs/dbraw/zinc/65/77/18/1065657718.db2.gz ZEYWWKVRMGWZQP-UEBLJOKOSA-N 1 0 457.412 4.856 20 0 JJADRO COCc1c2ccccc2oc1C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438036703 1065657763 /nfs/dbraw/zinc/65/77/63/1065657763.db2.gz WEGJZQIMQCEAGT-QGZVFWFLSA-N 1 0 457.368 4.865 20 0 JJADRO C[C@@H](COCc1ccccc1)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360613828 1065658596 /nfs/dbraw/zinc/65/85/96/1065658596.db2.gz IAOZQAQQFORXED-VWNXMTODSA-N 1 0 469.674 4.683 20 0 JJADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)CCO1 ZINC001438059868 1065662065 /nfs/dbraw/zinc/66/20/65/1065662065.db2.gz MIDCYHSCBCCMOZ-IBGZPJMESA-N 1 0 451.394 4.755 20 0 JJADRO COC[C@H](C)Oc1ccc(COC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001438081094 1065666470 /nfs/dbraw/zinc/66/64/70/1065666470.db2.gz YKIHHBYTBYJYKH-FDDCHVKYSA-N 1 0 451.485 4.598 20 0 JJADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)/C=C\c2ccco2)c1 ZINC001438095039 1065669159 /nfs/dbraw/zinc/66/91/59/1065669159.db2.gz OANOZKRWTRDLDD-PTZVLDCSSA-N 1 0 452.382 4.944 20 0 JJADRO Cc1cc(C(=O)Nc2cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(Cl)c2Cl)c(C)[nH]1 ZINC001438094085 1065669282 /nfs/dbraw/zinc/66/92/82/1065669282.db2.gz GBYYZORRLMMAFQ-INIZCTEOSA-N 1 0 453.414 4.897 20 0 JJADRO Cc1cc(C(=O)Nc2cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc(Cl)c2Cl)c(C)[nH]1 ZINC001438094087 1065669315 /nfs/dbraw/zinc/66/93/15/1065669315.db2.gz GBYYZORRLMMAFQ-MRXNPFEDSA-N 1 0 453.414 4.897 20 0 JJADRO C[NH+]1CCC(CNC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)(c2ccccc2)CC1 ZINC001438110800 1065672383 /nfs/dbraw/zinc/67/23/83/1065672383.db2.gz LXFGOUDUMUCXCK-UHFFFAOYSA-N 1 0 451.998 4.719 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC001438117698 1065674196 /nfs/dbraw/zinc/67/41/96/1065674196.db2.gz DANLZOWMGUPZLI-UHFFFAOYSA-N 1 0 451.442 4.965 20 0 JJADRO C[C@H](N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+](C)C2CCCC2)CC1)C(F)(F)F ZINC001360633019 1065686565 /nfs/dbraw/zinc/68/65/65/1065686565.db2.gz XQFUZXCFQCJWNR-KRWDZBQOSA-N 1 0 484.998 4.546 20 0 JJADRO C[C@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+](C)C2CCCCC2)CC1)C(F)(F)F ZINC001360633194 1065687316 /nfs/dbraw/zinc/68/73/16/1065687316.db2.gz ZUFGMLZBXHJGMI-SFHVURJKSA-N 1 0 499.025 4.936 20 0 JJADRO C[C@H](N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CC1)C(F)(F)F ZINC001360634012 1065688369 /nfs/dbraw/zinc/68/83/69/1065688369.db2.gz DKQCLKBIRWKJKA-OALUTQOASA-N 1 0 498.663 4.838 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001360636921 1065696729 /nfs/dbraw/zinc/69/67/29/1065696729.db2.gz NQPFSTVSFLXJKB-FSSWDIPSSA-N 1 0 490.737 4.970 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001360638748 1065704562 /nfs/dbraw/zinc/70/45/62/1065704562.db2.gz IFZROKOPTFMTLV-UNMCSNQZSA-N 1 0 488.721 4.625 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360638999 1065705808 /nfs/dbraw/zinc/70/58/08/1065705808.db2.gz MCPMQDFFMLBBEM-GGAORHGYSA-N 1 0 490.737 4.871 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCC2)C1 ZINC001360639649 1065708343 /nfs/dbraw/zinc/70/83/43/1065708343.db2.gz RLMBXWIJJMXMKW-LEWJYISDSA-N 1 0 476.710 4.581 20 0 JJADRO CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001438322659 1065709349 /nfs/dbraw/zinc/70/93/49/1065709349.db2.gz AQWGCXWDNISVCK-SKBVVQJISA-N 1 0 462.565 4.776 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001438334024 1065710724 /nfs/dbraw/zinc/71/07/24/1065710724.db2.gz RXBAHDQESBGHIF-PBHICJAKSA-N 1 0 455.318 4.966 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC001438334624 1065711227 /nfs/dbraw/zinc/71/12/27/1065711227.db2.gz MGDLYNSQUUSVFF-UEQSERJNSA-N 1 0 476.539 4.527 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC001438334764 1065711433 /nfs/dbraw/zinc/71/14/33/1065711433.db2.gz MUKRLEFAZVMPBQ-OYUWMTPXSA-N 1 0 478.036 4.736 20 0 JJADRO C[C@@H](Cn1c(C2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360641103 1065712593 /nfs/dbraw/zinc/71/25/93/1065712593.db2.gz CVJGGWVSQXGVRK-SFTDATJTSA-N 1 0 496.700 4.806 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC001438342765 1065712879 /nfs/dbraw/zinc/71/28/79/1065712879.db2.gz VFJVUSAWFOHQHL-WIOPSUGQSA-N 1 0 468.569 4.850 20 0 JJADRO CCOc1ccccc1C(F)(F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001438343245 1065712975 /nfs/dbraw/zinc/71/29/75/1065712975.db2.gz WDDOLKHETQXMJG-UKILVPOCSA-N 1 0 480.555 4.970 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360641640 1065714307 /nfs/dbraw/zinc/71/43/07/1065714307.db2.gz LDEZNNVMLDWBQD-RBBKRZOGSA-N 1 0 496.700 4.784 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360642809 1065717183 /nfs/dbraw/zinc/71/71/83/1065717183.db2.gz WVEPKMCSRDABHF-HXUWFJFHSA-N 1 0 488.721 4.940 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)cc1 ZINC001438396957 1065719120 /nfs/dbraw/zinc/71/91/20/1065719120.db2.gz AERUWTDQYJVJSK-PWNIHVSBSA-N 1 0 465.594 4.660 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(F)F)C1)c1ccccc1 ZINC001360645191 1065720007 /nfs/dbraw/zinc/72/00/07/1065720007.db2.gz GWSMAXMSQUAKOV-AZUAARDMSA-N 1 0 456.585 4.895 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001360645788 1065720983 /nfs/dbraw/zinc/72/09/83/1065720983.db2.gz LKGMQHBAVPVYIV-YLJYHZDGSA-N 1 0 493.599 4.827 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC001360646305 1065721572 /nfs/dbraw/zinc/72/15/72/1065721572.db2.gz OUXUZVCOUCWXCY-JOCHJYFZSA-N 1 0 494.728 4.835 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC001360646933 1065722502 /nfs/dbraw/zinc/72/25/02/1065722502.db2.gz TYDJPXCVVKDEHD-SFHVURJKSA-N 1 0 479.591 4.959 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC001360646932 1065722670 /nfs/dbraw/zinc/72/26/70/1065722670.db2.gz TYDJPXCVVKDEHD-GOSISDBHSA-N 1 0 479.591 4.959 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC3CCCC3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001360647375 1065723101 /nfs/dbraw/zinc/72/31/01/1065723101.db2.gz XSINWFKGDMLMHZ-UNMCSNQZSA-N 1 0 488.721 4.625 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001360647372 1065723146 /nfs/dbraw/zinc/72/31/46/1065723146.db2.gz XSINWFKGDMLMHZ-RBBKRZOGSA-N 1 0 488.721 4.625 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)/C=C/c2ccsc2C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001360658705 1065727528 /nfs/dbraw/zinc/72/75/28/1065727528.db2.gz OAQRNNLEMHBARL-RUJXFNLJSA-N 1 0 451.514 4.585 20 0 JJADRO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001360658755 1065727666 /nfs/dbraw/zinc/72/76/66/1065727666.db2.gz PEHVVUGLJLIJSY-FYYLOGMGSA-N 1 0 458.002 4.548 20 0 JJADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001438565373 1065731742 /nfs/dbraw/zinc/73/17/42/1065731742.db2.gz NWXUKYYWIUHRMU-OAQYLSRUSA-N 1 0 453.583 4.954 20 0 JJADRO O=C(CCc1nc2cc(Br)ccc2s1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001438583154 1065734164 /nfs/dbraw/zinc/73/41/64/1065734164.db2.gz RCNYEBWSBYTCKP-QGZVFWFLSA-N 1 0 450.446 4.905 20 0 JJADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001360682261 1065735153 /nfs/dbraw/zinc/73/51/53/1065735153.db2.gz QZMPXRWPQDJNRS-LJQANCHMSA-N 1 0 455.484 4.633 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC001360706662 1065742608 /nfs/dbraw/zinc/74/26/08/1065742608.db2.gz KSMABDHXNODMBK-FQEVSTJZSA-N 1 0 452.599 4.718 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)cc2F)CC1 ZINC001438747355 1065748868 /nfs/dbraw/zinc/74/88/68/1065748868.db2.gz NXVGETYZLUUKLT-MSOLQXFVSA-N 1 0 451.464 4.608 20 0 JJADRO C[C@H](O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001360731499 1065759264 /nfs/dbraw/zinc/75/92/64/1065759264.db2.gz DWQZAEKCQOAUAG-FQEVSTJZSA-N 1 0 467.683 4.590 20 0 JJADRO CCc1c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC001360735896 1065763933 /nfs/dbraw/zinc/76/39/33/1065763933.db2.gz ZJEQEXNOQJZVOU-NQIIRXRSSA-N 1 0 452.002 4.608 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@H+]1CC=CCC1 ZINC001360738672 1065769102 /nfs/dbraw/zinc/76/91/02/1065769102.db2.gz RLUAGBVBJGOTFI-GOSISDBHSA-N 1 0 470.980 4.504 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360739933 1065772649 /nfs/dbraw/zinc/77/26/49/1065772649.db2.gz ZBCHMNLCKGYRNQ-OFNKIYASSA-N 1 0 473.637 4.685 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC(C)(C)C[NH+](C)C ZINC001360742336 1065777601 /nfs/dbraw/zinc/77/76/01/1065777601.db2.gz XKXNPLVDVYZGEV-SFHVURJKSA-N 1 0 461.626 4.539 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC[NH+]1CCCC1 ZINC001360743553 1065779352 /nfs/dbraw/zinc/77/93/52/1065779352.db2.gz GFUHDHWQMIHYSR-OAHLLOKOSA-N 1 0 454.377 4.552 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC=C(Br)C2)n1CC1([NH+](C)C)CCCC1 ZINC001360745426 1065784349 /nfs/dbraw/zinc/78/43/49/1065784349.db2.gz KPMCQICRSLGVSJ-QGZVFWFLSA-N 1 0 492.437 4.921 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2COc3ccc(Br)cc32)CCCCC1 ZINC001439096801 1065784651 /nfs/dbraw/zinc/78/46/51/1065784651.db2.gz MDOLEEAKOKXPKI-NRFANRHFSA-N 1 0 457.412 4.876 20 0 JJADRO CC[C@@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Br)cc1 ZINC001439120432 1065790103 /nfs/dbraw/zinc/79/01/03/1065790103.db2.gz CMNQVBNMXCZUIN-JOCHJYFZSA-N 1 0 459.428 4.740 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCCCS1 ZINC001360748622 1065790295 /nfs/dbraw/zinc/79/02/95/1065790295.db2.gz CPZMKMGPKCKVMF-WIYYLYMNSA-N 1 0 461.651 4.763 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCC(F)(F)F ZINC001360749091 1065791592 /nfs/dbraw/zinc/79/15/92/1065791592.db2.gz LLHCYJKGSFHQRA-INIZCTEOSA-N 1 0 457.516 4.820 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)CCOc2cc(Cl)ccc2Cl)CCOCC1 ZINC001439134393 1065791449 /nfs/dbraw/zinc/79/14/49/1065791449.db2.gz YCWILCKPWJNUIC-UHFFFAOYSA-N 1 0 451.394 4.560 20 0 JJADRO CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCS1 ZINC001360750878 1065796832 /nfs/dbraw/zinc/79/68/32/1065796832.db2.gz RCGDPJVGKIOUNL-SNYIIPAISA-N 1 0 493.718 4.572 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)cc1C(F)(F)F ZINC001439222271 1065800824 /nfs/dbraw/zinc/80/08/24/1065800824.db2.gz DJFOJKBQOOHMOU-UHFFFAOYSA-N 1 0 458.271 4.907 20 0 JJADRO C[C@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C ZINC001439227868 1065802235 /nfs/dbraw/zinc/80/22/35/1065802235.db2.gz ZOZFQDYSQMVSMH-MAUKXSAKSA-N 1 0 455.521 4.885 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360754646 1065806672 /nfs/dbraw/zinc/80/66/72/1065806672.db2.gz YNJFWLXAAKCRGZ-HXOBKFHXSA-N 1 0 464.079 4.745 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCCO2)n1CC1([NH+](C)C)CCCC1 ZINC001360755154 1065807147 /nfs/dbraw/zinc/80/71/47/1065807147.db2.gz AAURUCFCNOKALB-WIYYLYMNSA-N 1 0 462.038 4.561 20 0 JJADRO CC(C)Oc1ccccc1C(F)(F)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439272939 1065809005 /nfs/dbraw/zinc/80/90/05/1065809005.db2.gz MQWGACVTXLIZHQ-RTBURBONSA-N 1 0 456.455 4.745 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCOCC[NH+](C)C ZINC001360755902 1065811706 /nfs/dbraw/zinc/81/17/06/1065811706.db2.gz LEFIDOSWAIOGPO-LJQANCHMSA-N 1 0 476.065 4.832 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C)[N@H+](C)C1CC1 ZINC001360756038 1065812021 /nfs/dbraw/zinc/81/20/21/1065812021.db2.gz NHRTYFJMLRSXMW-SQNIBIBYSA-N 1 0 462.038 4.558 20 0 JJADRO C[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C)[N@H+](C)C1CC1 ZINC001360756036 1065812163 /nfs/dbraw/zinc/81/21/63/1065812163.db2.gz NHRTYFJMLRSXMW-FGTMMUONSA-N 1 0 462.038 4.558 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[NH+]1CCCCC1 ZINC001360756277 1065814291 /nfs/dbraw/zinc/81/42/91/1065814291.db2.gz RICJAYWJZJTCDJ-IBGZPJMESA-N 1 0 476.065 4.951 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC001439348465 1065818145 /nfs/dbraw/zinc/81/81/45/1065818145.db2.gz AVSBKVVUGVTPKA-OALUTQOASA-N 1 0 457.537 4.604 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(C)(C)O)CC1 ZINC001360757512 1065819313 /nfs/dbraw/zinc/81/93/13/1065819313.db2.gz CPQTZAYNQDTZSP-LJQANCHMSA-N 1 0 478.081 4.789 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCOCC[NH+](C)C ZINC001360759061 1065827035 /nfs/dbraw/zinc/82/70/35/1065827035.db2.gz XOSUSHHCQQKWAE-HFZDXXHNSA-N 1 0 488.076 4.976 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[NH+]1CCCC1 ZINC001360760824 1065834684 /nfs/dbraw/zinc/83/46/84/1065834684.db2.gz UAIKMXBNMCJSGZ-MOPGFXCFSA-N 1 0 462.038 4.561 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001360760987 1065835659 /nfs/dbraw/zinc/83/56/59/1065835659.db2.gz WLURQCRBIPULEQ-KOSHJBKYSA-N 1 0 490.073 4.571 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(Nc2ccn(C)n2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360762198 1065838116 /nfs/dbraw/zinc/83/81/16/1065838116.db2.gz BPFGUWNNUHPMSZ-QAPCUYQASA-N 1 0 472.018 4.913 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSCC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360763483 1065843185 /nfs/dbraw/zinc/84/31/85/1065843185.db2.gz WZZVHJRKVYGEMI-OXJNMPFZSA-N 1 0 478.087 4.989 20 0 JJADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601970 1065846663 /nfs/dbraw/zinc/84/66/63/1065846663.db2.gz WHVBABQOCUBHMY-VXKWHMMOSA-N 1 0 453.384 4.524 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360765293 1065849079 /nfs/dbraw/zinc/84/90/79/1065849079.db2.gz OQXWGVUFORYYAO-VCOUNFBDSA-N 1 0 487.645 4.927 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001360765328 1065849947 /nfs/dbraw/zinc/84/99/47/1065849947.db2.gz PJFCIXWIIWSWKE-LEWJYISDSA-N 1 0 466.605 4.853 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCCO2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001360765558 1065850354 /nfs/dbraw/zinc/85/03/54/1065850354.db2.gz TWFYLAWXFFCFDS-FKBYEOEOSA-N 1 0 473.637 4.827 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2csc(Br)c2)n1C[C@@H](C)[NH+](C)C ZINC001360765634 1065851411 /nfs/dbraw/zinc/85/14/11/1065851411.db2.gz VWSPZKBPBXIRPV-HUUCEWRRSA-N 1 0 496.450 4.968 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2nccs2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360765740 1065851951 /nfs/dbraw/zinc/85/19/51/1065851951.db2.gz XORIEFRTZJCFPF-RBUKOAKNSA-N 1 0 472.634 4.915 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[NH+]1CCCCCC1 ZINC001360767515 1065856788 /nfs/dbraw/zinc/85/67/88/1065856788.db2.gz QFCLZWZLZXMNDT-HXUWFJFHSA-N 1 0 473.637 4.827 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H]1CCC[C@@H]1CC ZINC001545924178 1065857777 /nfs/dbraw/zinc/85/77/77/1065857777.db2.gz RWRZGUMZIARUGS-ZEQRLZLVSA-N 1 0 480.701 4.653 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCSC2)CC1 ZINC001360769718 1065863153 /nfs/dbraw/zinc/86/31/53/1065863153.db2.gz MLXDJFFBMHQPKM-CTNGQTDRSA-N 1 0 475.678 4.867 20 0 JJADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001439711292 1065863776 /nfs/dbraw/zinc/86/37/76/1065863776.db2.gz SCIMXXNCQRSDSR-UHFFFAOYSA-N 1 0 451.558 4.713 20 0 JJADRO CC(C)[NH+](CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(C1)CCOCC2)C(C)C ZINC001360772208 1065869429 /nfs/dbraw/zinc/86/94/29/1065869429.db2.gz GQWQTSWGVYCBTN-NRFANRHFSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001360773273 1065871049 /nfs/dbraw/zinc/87/10/49/1065871049.db2.gz KNTHBSNPHHXGRU-OALUTQOASA-N 1 0 499.553 4.591 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360774476 1065873178 /nfs/dbraw/zinc/87/31/78/1065873178.db2.gz NJXGVQUMAKFLSE-BZSNNMDCSA-N 1 0 469.527 4.820 20 0 JJADRO CC(C)[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001360774166 1065873301 /nfs/dbraw/zinc/87/33/01/1065873301.db2.gz OGRVFAYVDZTVSA-KDYSTLNUSA-N 1 0 487.664 4.667 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360777939 1065883280 /nfs/dbraw/zinc/88/32/80/1065883280.db2.gz IDFXXEICXLARSY-ABSDTBQOSA-N 1 0 475.659 4.863 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360777941 1065883306 /nfs/dbraw/zinc/88/33/06/1065883306.db2.gz IDFXXEICXLARSY-UWVAXJGDSA-N 1 0 475.659 4.863 20 0 JJADRO CC1([NH+]2CCC2)CCC(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)CC1 ZINC001439859173 1065887020 /nfs/dbraw/zinc/88/70/20/1065887020.db2.gz MJZKQGZQLMHECR-UHFFFAOYSA-N 1 0 457.684 4.612 20 0 JJADRO O=C(NCc1ccc(Br)cc1F)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001439944100 1065895343 /nfs/dbraw/zinc/89/53/43/1065895343.db2.gz VCQLHRQUGAVCNM-LJQANCHMSA-N 1 0 459.281 4.659 20 0 JJADRO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001440048069 1065906584 /nfs/dbraw/zinc/90/65/84/1065906584.db2.gz RZEPJQFGWIOPLN-LGTXBLIGSA-N 1 0 477.649 4.744 20 0 JJADRO CC(=O)N(Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC001360799533 1065910557 /nfs/dbraw/zinc/91/05/57/1065910557.db2.gz GJRCUJKWLWIMOL-DEOSSOPVSA-N 1 0 459.512 4.591 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC001440138357 1065915027 /nfs/dbraw/zinc/91/50/27/1065915027.db2.gz DZJMDRYJPCLPCQ-OAQYLSRUSA-N 1 0 455.400 4.838 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001360805275 1065916799 /nfs/dbraw/zinc/91/67/99/1065916799.db2.gz NAAGJJSBRIWBOR-MRXNPFEDSA-N 1 0 463.468 4.783 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001360808516 1065921433 /nfs/dbraw/zinc/92/14/33/1065921433.db2.gz OASAFXBEKGQROV-GOSISDBHSA-N 1 0 483.554 4.754 20 0 JJADRO C[NH+](C)C1(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001440368295 1065933039 /nfs/dbraw/zinc/93/30/39/1065933039.db2.gz FTGZCGPFLUALCY-GOSISDBHSA-N 1 0 457.537 4.652 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)Cc1cc(Cl)ccc1Br)[NH+]1CCCC1 ZINC001440373510 1065933613 /nfs/dbraw/zinc/93/36/13/1065933613.db2.gz QAIFZAXEEVHIEH-IBGZPJMESA-N 1 0 451.792 4.607 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)[NH+]2CCCC2)c1 ZINC001440373758 1065934288 /nfs/dbraw/zinc/93/42/88/1065934288.db2.gz OHEQROBAZOMMFQ-IBGZPJMESA-N 1 0 459.612 4.695 20 0 JJADRO COc1ccc([C@H](CNC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)[NH+]2CCCC2)cc1 ZINC001440379458 1065934773 /nfs/dbraw/zinc/93/47/73/1065934773.db2.gz WLWKORFTQAFNOB-QHCPKHFHSA-N 1 0 453.970 4.715 20 0 JJADRO CC(C)C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)N(C)C(=O)OC(C)(C)C ZINC001440382214 1065935451 /nfs/dbraw/zinc/93/54/51/1065935451.db2.gz CZCRIAMTIAYYFC-PMACEKPBSA-N 1 0 451.677 4.919 20 0 JJADRO CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001440385039 1065935846 /nfs/dbraw/zinc/93/58/46/1065935846.db2.gz GLRZZIPUSOAXJG-OAQYLSRUSA-N 1 0 453.608 4.538 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)Cc1c(Cl)cccc1Br)[NH+]1CCCC1 ZINC001440391034 1065937540 /nfs/dbraw/zinc/93/75/40/1065937540.db2.gz RDGMBIOCNMGYKC-LJQANCHMSA-N 1 0 451.792 4.607 20 0 JJADRO CC1(CCn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC001360832431 1065944386 /nfs/dbraw/zinc/94/43/86/1065944386.db2.gz KDWOKVKFGQUBIU-UHFFFAOYSA-N 1 0 485.982 4.880 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001440509920 1065945557 /nfs/dbraw/zinc/94/55/57/1065945557.db2.gz OEGZDLKCSOLPEH-QPTUXGOLSA-N 1 0 455.643 4.583 20 0 JJADRO COc1ccc([C@@H](CNC(=O)C2(Cc3cccc(F)c3)CCOCC2)[NH+]2CCCCC2)cc1 ZINC001440556414 1065948905 /nfs/dbraw/zinc/94/89/05/1065948905.db2.gz AIBDZGAOMUASLY-RUZDIDTESA-N 1 0 454.586 4.517 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2(C)CC2)C1 ZINC001360838209 1065948985 /nfs/dbraw/zinc/94/89/85/1065948985.db2.gz GGRRBGWOONVPKP-HXUWFJFHSA-N 1 0 474.694 4.503 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001440635090 1065956021 /nfs/dbraw/zinc/95/60/21/1065956021.db2.gz IAIKTTRTPRBWOE-RADWXHQJSA-N 1 0 452.014 4.548 20 0 JJADRO Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1c(C)sc(C)c1Br ZINC001360849417 1065959361 /nfs/dbraw/zinc/95/93/61/1065959361.db2.gz TUJYPAACUPGLAR-UHFFFAOYSA-N 1 0 480.501 4.502 20 0 JJADRO Cc1sc(C)c(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CC3)CC2)c1Br ZINC001360850426 1065960545 /nfs/dbraw/zinc/96/05/45/1065960545.db2.gz DGUUARNDOGQRPL-UHFFFAOYSA-N 1 0 480.520 4.888 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001360850414 1065960694 /nfs/dbraw/zinc/96/06/94/1065960694.db2.gz CTKNRMCXPGYCNL-MSOLQXFVSA-N 1 0 492.437 4.921 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1c(O)cnc2c(Br)cccc21 ZINC001440685800 1065966944 /nfs/dbraw/zinc/96/69/44/1065966944.db2.gz PIGXIMZVICSMBJ-UHFFFAOYSA-N 1 0 454.368 4.619 20 0 JJADRO Cc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001360853236 1065968961 /nfs/dbraw/zinc/96/89/61/1065968961.db2.gz HHKQZFFBFFWREU-HXUWFJFHSA-N 1 0 473.463 4.648 20 0 JJADRO CC1=C(Br)CN(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001360853530 1065969810 /nfs/dbraw/zinc/96/98/10/1065969810.db2.gz GAPAZCQTCCSLEE-UHFFFAOYSA-N 1 0 488.474 4.511 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001360853552 1065969838 /nfs/dbraw/zinc/96/98/38/1065969838.db2.gz GVOHFZYRADBJIP-RTBURBONSA-N 1 0 487.490 4.511 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3ccsc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360853841 1065971248 /nfs/dbraw/zinc/97/12/48/1065971248.db2.gz LCLKWCHSSHDZJV-IBGZPJMESA-N 1 0 478.504 4.930 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC001440729588 1065971579 /nfs/dbraw/zinc/97/15/79/1065971579.db2.gz VLMHOPLVPHRHAB-QFIPXVFZSA-N 1 0 458.002 4.640 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)Cc1ccccc1 ZINC001440735291 1065972925 /nfs/dbraw/zinc/97/29/25/1065972925.db2.gz BEQODEWZUMLJAK-HXUWFJFHSA-N 1 0 451.489 4.567 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3ccccc3F)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001360854392 1065973568 /nfs/dbraw/zinc/97/35/68/1065973568.db2.gz VSUZYNYNPFNVBN-HXUWFJFHSA-N 1 0 488.405 4.783 20 0 JJADRO CC1=C(Br)CN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360854522 1065973999 /nfs/dbraw/zinc/97/39/99/1065973999.db2.gz YAGJQGNSMCUJTH-UHFFFAOYSA-N 1 0 452.485 4.868 20 0 JJADRO CC[C@@H]1[C@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001440742557 1065974283 /nfs/dbraw/zinc/97/42/83/1065974283.db2.gz RTSIGMQZAWQSQV-HMXCVIKNSA-N 1 0 450.023 4.629 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c([nH]1)c(Br)ccc2OC)Cc1ccccc1 ZINC001440741963 1065974393 /nfs/dbraw/zinc/97/43/93/1065974393.db2.gz ZUYREHZTYXUOHP-QGZVFWFLSA-N 1 0 458.400 4.622 20 0 JJADRO CSc1cccc(F)c1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440747398 1065975338 /nfs/dbraw/zinc/97/53/38/1065975338.db2.gz NGJBDCMBNOUDKL-UHFFFAOYSA-N 1 0 455.521 4.509 20 0 JJADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@@H](C)O1 ZINC001440830361 1065982630 /nfs/dbraw/zinc/98/26/30/1065982630.db2.gz TVEGAAOFNPXZRN-YVHKJVDXSA-N 1 0 451.394 4.729 20 0 JJADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001440865552 1065984730 /nfs/dbraw/zinc/98/47/30/1065984730.db2.gz PXIOVQXZFNMKIA-BJKOFHAPSA-N 1 0 457.659 4.893 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001360865569 1065984670 /nfs/dbraw/zinc/98/46/70/1065984670.db2.gz DOGLSTUGQDJICA-MDNUFGMLSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1noc(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360865747 1065985547 /nfs/dbraw/zinc/98/55/47/1065985547.db2.gz IAEYOKFJSXOYQK-HFZDXXHNSA-N 1 0 498.697 4.713 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCC[C@H]1C ZINC001360865818 1065985831 /nfs/dbraw/zinc/98/58/31/1065985831.db2.gz JAFBEOWIKRJODG-AUSIDOKSSA-N 1 0 479.673 4.506 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360865800 1065986035 /nfs/dbraw/zinc/98/60/35/1065986035.db2.gz ITIOSIMTUJAHLE-OFNKIYASSA-N 1 0 451.615 4.913 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H]3CCSC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360865768 1065986061 /nfs/dbraw/zinc/98/60/61/1065986061.db2.gz IEVJWBDBDRUCTE-YADHBBJMSA-N 1 0 457.688 4.853 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C)c1cccc(OC)c1 ZINC001440872646 1065986893 /nfs/dbraw/zinc/98/68/93/1065986893.db2.gz CYUPVKAVDSAOOD-XMMPIXPASA-N 1 0 452.574 4.956 20 0 JJADRO Cc1noc(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001360866681 1065989909 /nfs/dbraw/zinc/98/99/09/1065989909.db2.gz XGNCTUMAEYJEBO-UWJYYQICSA-N 1 0 466.630 4.759 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccoc3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001360868328 1065991664 /nfs/dbraw/zinc/99/16/64/1065991664.db2.gz BFWQRGVXFFYIPN-DENIHFKCSA-N 1 0 451.615 4.996 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC001360868369 1065991746 /nfs/dbraw/zinc/99/17/46/1065991746.db2.gz CJOBCKPUCIRJEL-ZEQRLZLVSA-N 1 0 493.700 4.773 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CCC3CCOCC3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360868632 1065992820 /nfs/dbraw/zinc/99/28/20/1065992820.db2.gz JGIIIPAOAJOXAZ-FYYLOGMGSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC3CCOCC3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360868634 1065992851 /nfs/dbraw/zinc/99/28/51/1065992851.db2.gz JGIIIPAOAJOXAZ-GMAHTHKFSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)c1C ZINC001360868692 1065993269 /nfs/dbraw/zinc/99/32/69/1065993269.db2.gz AOANYCKYBGRGJX-DSKINZAPSA-N 1 0 495.590 4.675 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001360869084 1065995999 /nfs/dbraw/zinc/99/59/99/1065995999.db2.gz MAKIQCLFFKSXQQ-GOTSBHOMSA-N 1 0 477.657 4.582 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360869365 1065997436 /nfs/dbraw/zinc/99/74/36/1065997436.db2.gz OHVJNGUQPXMZFY-ICSRJNTNSA-N 1 0 486.064 4.543 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001360869540 1065998090 /nfs/dbraw/zinc/99/80/90/1065998090.db2.gz ICSINBDBAGJYOT-YENTXNKWSA-N 1 0 483.701 4.874 20 0 JJADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c1 ZINC001440975663 1065998847 /nfs/dbraw/zinc/99/88/47/1065998847.db2.gz LECWZEATVUURDY-UHFFFAOYSA-N 1 0 451.364 4.672 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001360869782 1065999248 /nfs/dbraw/zinc/99/92/48/1065999248.db2.gz JZIOXOGHEKWZEE-QFUCXCTJSA-N 1 0 483.579 4.531 20 0 JJADRO Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)[C@H]2c2cccs2)cc1 ZINC001441003427 1065999342 /nfs/dbraw/zinc/99/93/42/1065999342.db2.gz FZOHVTLACKMYAY-JTAQYXEDSA-N 1 0 453.633 4.631 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2CC[NH+]2CCCCCC2)c1C ZINC001360870589 1066002960 /nfs/dbraw/zinc/00/29/60/1066002960.db2.gz YKUAOPXDJBDKEW-NRFANRHFSA-N 1 0 452.603 4.535 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545937955 1066005613 /nfs/dbraw/zinc/00/56/13/1066005613.db2.gz FZSCLZFDCOMYKX-ONTIZHBOSA-N 1 0 492.778 4.531 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)CC[C@H]3C)n2CC2([NH+](C)C)CCOCC2)c1C ZINC001360871768 1066005838 /nfs/dbraw/zinc/00/58/38/1066005838.db2.gz ZZEZEJAOBGLTNC-XKCSPQBFSA-N 1 0 469.674 4.771 20 0 JJADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)c1 ZINC001441096833 1066007351 /nfs/dbraw/zinc/00/73/51/1066007351.db2.gz JIYGATLTPWDJIH-QFIPXVFZSA-N 1 0 455.603 4.549 20 0 JJADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)c1 ZINC001441096201 1066007497 /nfs/dbraw/zinc/00/74/97/1066007497.db2.gz JIYGATLTPWDJIH-JOCHJYFZSA-N 1 0 455.603 4.549 20 0 JJADRO CC(C)[C@H](C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1)[NH+]1CCCCC1 ZINC001441113676 1066008437 /nfs/dbraw/zinc/00/84/37/1066008437.db2.gz VZZYLLZYHMLVIP-RUZDIDTESA-N 1 0 459.030 4.750 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H]4CCCC[C@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001360873620 1066009913 /nfs/dbraw/zinc/00/99/13/1066009913.db2.gz HAEWKOSZXILAIG-SGNDLWITSA-N 1 0 469.674 4.630 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H](C)[NH+](C)C)c1C ZINC001360873926 1066010885 /nfs/dbraw/zinc/01/08/85/1066010885.db2.gz LKLWQAGDZFLKGO-RDJZCZTQSA-N 1 0 452.430 4.884 20 0 JJADRO Cc1ccc(C(=O)CCC(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC001441174658 1066011566 /nfs/dbraw/zinc/01/15/66/1066011566.db2.gz SFXHNUKKOPTGKB-UHFFFAOYSA-N 1 0 455.602 4.914 20 0 JJADRO CC[C@@](O)(CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC001441173252 1066011616 /nfs/dbraw/zinc/01/16/16/1066011616.db2.gz POTNCEXEJPTVLY-GDLZYMKVSA-N 1 0 457.618 4.631 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC(C)(C)O)c1C ZINC001360874194 1066011914 /nfs/dbraw/zinc/01/19/14/1066011914.db2.gz KOAWRULKOVHSJP-RPWUZVMVSA-N 1 0 483.701 4.754 20 0 JJADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001441181984 1066012037 /nfs/dbraw/zinc/01/20/37/1066012037.db2.gz YAEZMQKBAGVOCN-QGZVFWFLSA-N 1 0 458.628 4.685 20 0 JJADRO O=C(/C=C\c1ccccc1OCc1ccccc1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001441199965 1066014601 /nfs/dbraw/zinc/01/46/01/1066014601.db2.gz LYEJSRCEDAEZBD-MSUUIHNZSA-N 1 0 455.602 4.607 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CC[NH+]2CCSCC2)c1C ZINC001360874725 1066014916 /nfs/dbraw/zinc/01/49/16/1066014916.db2.gz OBNLLNVUHVMRBN-UGKGYDQZSA-N 1 0 457.688 4.710 20 0 JJADRO CC[C@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)[N@@H+]1CCc2ccccc2C1 ZINC001441234287 1066017384 /nfs/dbraw/zinc/01/73/84/1066017384.db2.gz DAFGNFSPUABLJI-QSEAXJEQSA-N 1 0 455.643 4.509 20 0 JJADRO CC[C@H](CNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C)[N@@H+]1CCc2ccccc2C1 ZINC001441238054 1066017958 /nfs/dbraw/zinc/01/79/58/1066017958.db2.gz JGGIFQGQRKLSBU-XMMPIXPASA-N 1 0 451.014 4.768 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1CC[N@H+](C)[C@H](C)CC ZINC001545939584 1066017982 /nfs/dbraw/zinc/01/79/82/1066017982.db2.gz GCKJQEDWQWKPBO-GOSISDBHSA-N 1 0 497.713 4.520 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001360875783 1066019616 /nfs/dbraw/zinc/01/96/16/1066019616.db2.gz YWOGDSNSHGGAHB-DNQXCXABSA-N 1 0 469.674 4.772 20 0 JJADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(Br)nc(Br)c1 ZINC001441258753 1066021935 /nfs/dbraw/zinc/02/19/35/1066021935.db2.gz YFZWCZKRNCOIOF-UHFFFAOYSA-N 1 0 453.178 4.845 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC(C)C)c1C ZINC001360877093 1066022054 /nfs/dbraw/zinc/02/20/54/1066022054.db2.gz HUNOFMZZMGTSKM-ARNLJNQMSA-N 1 0 482.717 4.686 20 0 JJADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC001441304750 1066023748 /nfs/dbraw/zinc/02/37/48/1066023748.db2.gz CVMWYEUJHFEINU-UHFFFAOYSA-N 1 0 459.606 4.534 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)cc2)CC1 ZINC001441308449 1066024228 /nfs/dbraw/zinc/02/42/28/1066024228.db2.gz KDBJHNKMHCVWHD-UHFFFAOYSA-N 1 0 452.002 4.532 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1C ZINC001360877907 1066024312 /nfs/dbraw/zinc/02/43/12/1066024312.db2.gz PSHSHKCRAIKGOS-IRLDBZIGSA-N 1 0 469.655 4.626 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1cc(Cl)ncc1Cl ZINC001441311460 1066024890 /nfs/dbraw/zinc/02/48/90/1066024890.db2.gz LLECELAJZREKIF-UHFFFAOYSA-N 1 0 455.389 4.641 20 0 JJADRO CSc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001441314188 1066026192 /nfs/dbraw/zinc/02/61/92/1066026192.db2.gz NWAHOZKZCXEDNL-UHFFFAOYSA-N 1 0 459.659 4.980 20 0 JJADRO Cn1ccc2ccc(C(=O)NCCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 ZINC001441317725 1066026693 /nfs/dbraw/zinc/02/66/93/1066026693.db2.gz GSIMVEFYFYLDDG-UHFFFAOYSA-N 1 0 458.528 4.529 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CCCc3ccccc3Br)cc2)C[C@@H](C)O1 ZINC001441317427 1066026748 /nfs/dbraw/zinc/02/67/48/1066026748.db2.gz GHNGGNSLOHUPMJ-RTBURBONSA-N 1 0 459.428 4.697 20 0 JJADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(SC)c(Cl)cc2Cl)CC1 ZINC001441317551 1066026773 /nfs/dbraw/zinc/02/67/73/1066026773.db2.gz SBVVCBFKYIBYOI-UHFFFAOYSA-N 1 0 452.451 4.783 20 0 JJADRO C[C@@]1(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCc2ccccc21 ZINC001441319141 1066027352 /nfs/dbraw/zinc/02/73/52/1066027352.db2.gz ICLFVEGXGNRGCL-RUZDIDTESA-N 1 0 459.556 4.628 20 0 JJADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001441323590 1066028293 /nfs/dbraw/zinc/02/82/93/1066028293.db2.gz CZASTBDEIAECIT-GOTSBHOMSA-N 1 0 458.002 4.544 20 0 JJADRO O=C(/C=C\CCc1ccccc1)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001441323753 1066028397 /nfs/dbraw/zinc/02/83/97/1066028397.db2.gz OVFWSSNALWMVLO-RZNTYIFUSA-N 1 0 459.556 4.913 20 0 JJADRO CCCOc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(OC(C)C)c1 ZINC001441329246 1066029575 /nfs/dbraw/zinc/02/95/75/1066029575.db2.gz WLZNONUYHZEEOV-SFTDATJTSA-N 1 0 454.611 4.802 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)c1C ZINC001360879594 1066031118 /nfs/dbraw/zinc/03/11/18/1066031118.db2.gz MXAISNKEUHBDCM-XZDHIHRUSA-N 1 0 469.674 4.769 20 0 JJADRO C[C@H](CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001441351813 1066031998 /nfs/dbraw/zinc/03/19/98/1066031998.db2.gz PLXWVCXXAAGPQL-DHIUTWEWSA-N 1 0 450.623 4.550 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC2([NH+](C)C)CCC2)c1C ZINC001360880195 1066032806 /nfs/dbraw/zinc/03/28/06/1066032806.db2.gz XMZQQJYCLIIMBK-LEWJYISDSA-N 1 0 455.647 4.523 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[NH+]2CCSCC2)c1C ZINC001360881207 1066033928 /nfs/dbraw/zinc/03/39/28/1066033928.db2.gz HUBCQOMEMVMIJU-MISYRCLQSA-N 1 0 497.631 4.718 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CCCC[NH+]2CCOCC2)c1C ZINC001360883688 1066038053 /nfs/dbraw/zinc/03/80/53/1066038053.db2.gz WPHUYNZVVIRDGF-XMMPIXPASA-N 1 0 467.658 4.694 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001360885206 1066040376 /nfs/dbraw/zinc/04/03/76/1066040376.db2.gz XKYOJORWINHCQT-UHFFFAOYSA-N 1 0 451.659 4.900 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)C1 ZINC001441457728 1066042049 /nfs/dbraw/zinc/04/20/49/1066042049.db2.gz BMIXVGFTQJMDNM-GKJHBJHPSA-N 1 0 453.593 4.880 20 0 JJADRO CC[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC001441457869 1066042136 /nfs/dbraw/zinc/04/21/36/1066042136.db2.gz BXUGIHBVSOURJG-UWXQAFAOSA-N 1 0 457.659 4.816 20 0 JJADRO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001360892147 1066044059 /nfs/dbraw/zinc/04/40/59/1066044059.db2.gz NDDWPPAOPJNLMA-IDISGSTGSA-N 1 0 451.659 4.957 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)C1 ZINC001441476200 1066045051 /nfs/dbraw/zinc/04/50/51/1066045051.db2.gz BUKHDNDJEQVLND-QEFHDYNCSA-N 1 0 457.659 4.864 20 0 JJADRO CC1=C(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360892821 1066045222 /nfs/dbraw/zinc/04/52/22/1066045222.db2.gz NORZHTFKMWYENF-SZPZYZBQSA-N 1 0 486.705 4.717 20 0 JJADRO CC1=C(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001360892986 1066045249 /nfs/dbraw/zinc/04/52/49/1066045249.db2.gz UCJIDOFLJWIVDV-UGKGYDQZSA-N 1 0 472.678 4.629 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3ccc(OCc4ccccn4)cc3)cc2)C1 ZINC001441477800 1066045384 /nfs/dbraw/zinc/04/53/84/1066045384.db2.gz GYPMDNLDROWBMO-DHIUTWEWSA-N 1 0 457.618 4.997 20 0 JJADRO Cc1nc([C@H]2CCCN(c3nnc(Cc4ccccn4)n3C[C@H](CC(C)C)[NH+](C)C)C2)sc1C ZINC001360895376 1066048094 /nfs/dbraw/zinc/04/80/94/1066048094.db2.gz ABRBPTNNECZPEF-GMAHTHKFSA-N 1 0 481.714 4.698 20 0 JJADRO Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](CCc3ccccc3)CC2)sc1C ZINC001360899867 1066053108 /nfs/dbraw/zinc/05/31/08/1066053108.db2.gz TZSQXJKHDWBKKK-UHFFFAOYSA-N 1 0 466.699 4.547 20 0 JJADRO CC1CCN(c2ccc(CNC(=O)c3ccccc3OCC[N@@H+]3CCCC[C@H]3C)cn2)CC1 ZINC001441616928 1066054668 /nfs/dbraw/zinc/05/46/68/1066054668.db2.gz ADBQOGQLJMEPKX-JOCHJYFZSA-N 1 0 450.627 4.501 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001441639394 1066056814 /nfs/dbraw/zinc/05/68/14/1066056814.db2.gz GTOVOFFLGQWXFD-GMAHTHKFSA-N 1 0 457.659 4.749 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(F)(F)c1cccc(Br)c1 ZINC001441649764 1066057601 /nfs/dbraw/zinc/05/76/01/1066057601.db2.gz IFODGXCVBUTRRL-UHFFFAOYSA-N 1 0 455.343 4.578 20 0 JJADRO CC(C)(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1csc(-c2cc(F)ccc2F)n1 ZINC001441667172 1066059445 /nfs/dbraw/zinc/05/94/45/1066059445.db2.gz QZKCHMYBZAEHFD-UHFFFAOYSA-N 1 0 456.562 4.542 20 0 JJADRO CCc1cc2c(CC(=O)NCCCC[NH+]3CCN(Cc4ccccc4)CC3)csc2s1 ZINC001441689110 1066061758 /nfs/dbraw/zinc/06/17/58/1066061758.db2.gz FKFSIVQXKZGRGP-UHFFFAOYSA-N 1 0 455.693 4.782 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001360908292 1066063643 /nfs/dbraw/zinc/06/36/43/1066063643.db2.gz CCXIZFCDBJAAHW-SFHVURJKSA-N 1 0 454.368 4.698 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001360908920 1066064922 /nfs/dbraw/zinc/06/49/22/1066064922.db2.gz JVGMBFRECWFNTA-HSZRJFAPSA-N 1 0 451.014 4.796 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545944354 1066066828 /nfs/dbraw/zinc/06/68/28/1066066828.db2.gz FOOFGTFDACHGMT-JQVVWYNYSA-N 1 0 494.675 4.721 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCOC[C@H]2C)n1CC[NH+](C(C)C)C(C)C ZINC001360910710 1066066940 /nfs/dbraw/zinc/06/69/40/1066066940.db2.gz NKBQDMUWQSPKDU-LJQANCHMSA-N 1 0 468.671 4.721 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[C@H](C)CC2)n1CCOCC[NH+](C)C ZINC001360910924 1066067400 /nfs/dbraw/zinc/06/74/00/1066067400.db2.gz SPIIFEUXIBQQQW-IBGZPJMESA-N 1 0 468.671 4.582 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCS[C@H](C)C2)n1CC[N@@H+](C)C(C)C ZINC001360911119 1066067702 /nfs/dbraw/zinc/06/77/02/1066067702.db2.gz XHSRTBIFSDDHCT-QGZVFWFLSA-N 1 0 456.685 4.659 20 0 JJADRO C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1cc2c(cc1Br)OCCO2 ZINC001441812649 1066072021 /nfs/dbraw/zinc/07/20/21/1066072021.db2.gz CVHZOPKKYLWGOC-INIZCTEOSA-N 1 0 459.384 4.697 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)Cc1ccccc1OCc1ccncc1)[NH+]1CCCCC1 ZINC001441880138 1066076871 /nfs/dbraw/zinc/07/68/71/1066076871.db2.gz FACLGPVGQCTYCY-RUZDIDTESA-N 1 0 459.590 4.555 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)Cc1ccc(OCc2ccccn2)cc1)[NH+]1CCCCC1 ZINC001441887114 1066078646 /nfs/dbraw/zinc/07/86/46/1066078646.db2.gz QNONJPPNQJHBSG-SANMLTNESA-N 1 0 459.590 4.555 20 0 JJADRO Cc1ncsc1CCn1c(CCc2ccccc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360923730 1066079881 /nfs/dbraw/zinc/07/98/81/1066079881.db2.gz APJHKGDTDOJJAS-UHFFFAOYSA-N 1 0 466.699 4.629 20 0 JJADRO CN(c1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC001441916733 1066081063 /nfs/dbraw/zinc/08/10/63/1066081063.db2.gz QTFITBPFFNOTNI-HSZRJFAPSA-N 1 0 458.647 4.629 20 0 JJADRO CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)C1 ZINC001441957170 1066082718 /nfs/dbraw/zinc/08/27/18/1066082718.db2.gz MDAMGZXCZOMKRL-KRWDZBQOSA-N 1 0 454.412 4.988 20 0 JJADRO Cc1c(CN(C)c2nnc(C3(c4ccccc4)CCC3)n2CC[NH+](C(C)C)C(C)C)cnn1C ZINC001360929409 1066085328 /nfs/dbraw/zinc/08/53/28/1066085328.db2.gz DQZFTDFVBKCHFW-UHFFFAOYSA-N 1 0 463.674 4.545 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@@H+](C)C(C)C)cnn1C ZINC001360930055 1066086467 /nfs/dbraw/zinc/08/64/67/1066086467.db2.gz REDZCSAQSFOLNI-UHFFFAOYSA-N 1 0 472.062 4.832 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)C1(OCc2ccccc2)CCOCC1)C1CCCCC1 ZINC001442080499 1066090885 /nfs/dbraw/zinc/09/08/85/1066090885.db2.gz QPQYKEMQXYMQOP-UHFFFAOYSA-N 1 0 450.623 4.833 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001360934722 1066093182 /nfs/dbraw/zinc/09/31/82/1066093182.db2.gz JKRZKONBUYXPAH-UHFFFAOYSA-N 1 0 489.039 4.549 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC[NH+]1CCCC1 ZINC001360934898 1066093954 /nfs/dbraw/zinc/09/39/54/1066093954.db2.gz QDPOZDSYPPOICL-UHFFFAOYSA-N 1 0 476.394 4.870 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001360935100 1066094257 /nfs/dbraw/zinc/09/42/57/1066094257.db2.gz WJIMJZCTHREWMW-KRWDZBQOSA-N 1 0 482.057 4.915 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2CCCC[C@@H]2C)cnn1C ZINC001360935393 1066095257 /nfs/dbraw/zinc/09/52/57/1066095257.db2.gz IVWRGSMLXSQASD-IBGZPJMESA-N 1 0 470.065 4.931 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[N@H+](C)C(C)C ZINC001360938531 1066097017 /nfs/dbraw/zinc/09/70/17/1066097017.db2.gz PZCXDHOHGRATPC-UHFFFAOYSA-N 1 0 491.640 4.504 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 ZINC001442160450 1066098511 /nfs/dbraw/zinc/09/85/11/1066098511.db2.gz MFEPVTFZDPYESX-AJTFRIOCSA-N 1 0 457.574 4.784 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2ccccn2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001360944878 1066099616 /nfs/dbraw/zinc/09/96/16/1066099616.db2.gz MIVNTJYARLGYCG-UHFFFAOYSA-N 1 0 450.631 4.560 20 0 JJADRO Cc1c(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cnn1C ZINC001360945240 1066100268 /nfs/dbraw/zinc/10/02/68/1066100268.db2.gz ZKCPDJAGMQWOGE-SIBVEZHUSA-N 1 0 484.092 4.711 20 0 JJADRO C[N@H+](CCNC(=O)c1cccc(OCc2ccccc2Br)c1)Cc1ccccc1 ZINC001442212631 1066103095 /nfs/dbraw/zinc/10/30/95/1066103095.db2.gz VZSZSIRAUVZQEW-UHFFFAOYSA-N 1 0 453.380 4.890 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@H+](C)C1CCCC1 ZINC001360949640 1066106325 /nfs/dbraw/zinc/10/63/25/1066106325.db2.gz NPVQERCLFKUAHX-UHFFFAOYSA-N 1 0 458.006 4.923 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360949864 1066107534 /nfs/dbraw/zinc/10/75/34/1066107534.db2.gz WMPUCPFRXMSFBC-QFIPXVFZSA-N 1 0 455.578 4.654 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C1 ZINC001442253945 1066109033 /nfs/dbraw/zinc/10/90/33/1066109033.db2.gz LRSPFFRYNINVAR-CALCHBBNSA-N 1 0 455.603 4.621 20 0 JJADRO CCc1ccccc1-n1cc(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)nn1 ZINC001442302134 1066114054 /nfs/dbraw/zinc/11/40/54/1066114054.db2.gz AUKHVERQDNFEGZ-QFIPXVFZSA-N 1 0 459.516 4.661 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cc(C(C)=O)ccc1OC)c1ccc(C(F)(F)F)cc1 ZINC001442330477 1066116903 /nfs/dbraw/zinc/11/69/03/1066116903.db2.gz TXMYQQJRHWGSEN-NRFANRHFSA-N 1 0 450.501 4.658 20 0 JJADRO Cc1ccsc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001360960238 1066118632 /nfs/dbraw/zinc/11/86/32/1066118632.db2.gz GGALVQMWWSQBCQ-UHFFFAOYSA-N 1 0 460.047 4.564 20 0 JJADRO C[C@H](C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)n1ccc(C(F)(F)F)n1 ZINC001442358396 1066119875 /nfs/dbraw/zinc/11/98/75/1066119875.db2.gz YGYFOYYMUQZDAF-CYBMUJFWSA-N 1 0 451.320 4.750 20 0 JJADRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1OCc1csc(Br)c1 ZINC001442363378 1066120178 /nfs/dbraw/zinc/12/01/78/1066120178.db2.gz GFCOVSFGSWVWDS-MRXNPFEDSA-N 1 0 451.430 4.858 20 0 JJADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001545948873 1066123702 /nfs/dbraw/zinc/12/37/02/1066123702.db2.gz YUCPUPZIUBTHLT-JTHBVZDNSA-N 1 0 452.647 4.504 20 0 JJADRO CCOC(=O)N=c1[nH]c2ccc(NC(=O)C3(c4ccccc4)CC[NH+](CC)CC3)cc2s1 ZINC001442401760 1066124667 /nfs/dbraw/zinc/12/46/67/1066124667.db2.gz OBTQBLIFBYBLSQ-UHFFFAOYSA-N 1 0 452.580 4.857 20 0 JJADRO Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)cnn1CC(C)C ZINC001360972135 1066128156 /nfs/dbraw/zinc/12/81/56/1066128156.db2.gz OOHXEGCMTPRXHC-UHFFFAOYSA-N 1 0 455.695 4.531 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001442467521 1066128379 /nfs/dbraw/zinc/12/83/79/1066128379.db2.gz MLASLEZDCAHPRX-UPVQGACJSA-N 1 0 451.611 4.671 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001442467519 1066128512 /nfs/dbraw/zinc/12/85/12/1066128512.db2.gz MLASLEZDCAHPRX-LADGPHEKSA-N 1 0 451.611 4.671 20 0 JJADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001442476797 1066130313 /nfs/dbraw/zinc/13/03/13/1066130313.db2.gz RPRLKRVNSXXVQB-NRFANRHFSA-N 1 0 456.512 4.592 20 0 JJADRO COc1ccc(C[NH+]2CCC(CNC(=O)C3(C(=O)OC(C)(C)C)CCCCCC3)CC2)cc1 ZINC001442573364 1066140263 /nfs/dbraw/zinc/14/02/63/1066140263.db2.gz SWIJORBQEZKUAF-UHFFFAOYSA-N 1 0 458.643 4.706 20 0 JJADRO Cc1ccc([C@H](CNC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001442591440 1066141294 /nfs/dbraw/zinc/14/12/94/1066141294.db2.gz KFGOHTNEMZIZKP-URXFXBBRSA-N 1 0 457.659 4.921 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001360985450 1066147242 /nfs/dbraw/zinc/14/72/42/1066147242.db2.gz BBASZMLZMAIENM-HSZRJFAPSA-N 1 0 480.701 4.995 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001360985586 1066147743 /nfs/dbraw/zinc/14/77/43/1066147743.db2.gz GLFXUHRTBUDESC-NFBKMPQASA-N 1 0 496.700 4.722 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001360985587 1066148535 /nfs/dbraw/zinc/14/85/35/1066148535.db2.gz GLFXUHRTBUDESC-NZQKXSOJSA-N 1 0 496.700 4.722 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360985740 1066149012 /nfs/dbraw/zinc/14/90/12/1066149012.db2.gz KEZMMICWBZFSSF-ZFGGDYGUSA-N 1 0 496.700 4.579 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1CCC[NH+]1CCCCC1 ZINC001360985960 1066149654 /nfs/dbraw/zinc/14/96/54/1066149654.db2.gz PSKIGWUMOKPIAP-UHFFFAOYSA-N 1 0 452.647 4.503 20 0 JJADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC001442669315 1066149994 /nfs/dbraw/zinc/14/99/94/1066149994.db2.gz SDBSTBJTBSDVTC-IJEWVQPXSA-N 1 0 450.352 4.721 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001360986855 1066155204 /nfs/dbraw/zinc/15/52/04/1066155204.db2.gz NSOQOJDSDRYLQI-UHFFFAOYSA-N 1 0 498.741 4.530 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442720782 1066155326 /nfs/dbraw/zinc/15/53/26/1066155326.db2.gz KACMHDDWGUCVRF-QHCPKHFHSA-N 1 0 457.590 4.762 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCSC2)n1CC[N@@H+](C)C(C)C ZINC001360986858 1066155521 /nfs/dbraw/zinc/15/55/21/1066155521.db2.gz NUBMVCMXMGMMTQ-QUCCMNQESA-N 1 0 466.095 4.970 20 0 JJADRO CCOc1ccc(-c2nc(C)c(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3F)s2)cc1 ZINC001442730450 1066156040 /nfs/dbraw/zinc/15/60/40/1066156040.db2.gz UTKXMTVJEGPZHB-UHFFFAOYSA-N 1 0 459.562 4.999 20 0 JJADRO CC[C@H](C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545951630 1066156882 /nfs/dbraw/zinc/15/68/82/1066156882.db2.gz AMRCYAQSRLMNOC-UNMCSNQZSA-N 1 0 476.710 4.797 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccccn1)[NH+]1CCCC1 ZINC001545951747 1066158275 /nfs/dbraw/zinc/15/82/75/1066158275.db2.gz BYACRFHQIZINDC-DENIHFKCSA-N 1 0 469.033 4.977 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360989331 1066160504 /nfs/dbraw/zinc/16/05/04/1066160504.db2.gz CPOHNOIICDSKIY-QFBILLFUSA-N 1 0 467.992 4.874 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001360989632 1066162464 /nfs/dbraw/zinc/16/24/64/1066162464.db2.gz HYFDFESBAOBVKL-OAQYLSRUSA-N 1 0 489.108 4.562 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CO)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360989793 1066163839 /nfs/dbraw/zinc/16/38/39/1066163839.db2.gz KWNSCOOVVBIPQM-FQEVSTJZSA-N 1 0 490.092 4.771 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001360990259 1066166981 /nfs/dbraw/zinc/16/69/81/1066166981.db2.gz RUAKKOZRQNLLGZ-NRFANRHFSA-N 1 0 490.092 4.771 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCCCCCO ZINC001360990263 1066166989 /nfs/dbraw/zinc/16/69/89/1066166989.db2.gz RWPSMOFGCUBVSW-MQSCRBSSSA-N 1 0 490.092 4.914 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](C)C2)n1CCOCC[NH+](C)C ZINC001360990432 1066167552 /nfs/dbraw/zinc/16/75/52/1066167552.db2.gz VMEQCSAGCTWZBG-PXNSSMCTSA-N 1 0 464.054 4.503 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=CCC2)n1CCCC[NH+]1CCOCC1 ZINC001360990608 1066168468 /nfs/dbraw/zinc/16/84/68/1066168468.db2.gz XZDSGTAKRDQJQT-OAQYLSRUSA-N 1 0 474.049 4.567 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=CCC2)n1CCCC[NH+]1CCOCC1 ZINC001360990607 1066168536 /nfs/dbraw/zinc/16/85/36/1066168536.db2.gz XZDSGTAKRDQJQT-NRFANRHFSA-N 1 0 474.049 4.567 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001360991493 1066169959 /nfs/dbraw/zinc/16/99/59/1066169959.db2.gz DCUXNOWLWWHSFU-IFMALSPDSA-N 1 0 478.081 4.890 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC[C@@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001360992129 1066171030 /nfs/dbraw/zinc/17/10/30/1066171030.db2.gz JAGHPTVXSFIGJB-PMACEKPBSA-N 1 0 476.065 4.788 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@@H]1c1cccs1 ZINC001360996850 1066175496 /nfs/dbraw/zinc/17/54/96/1066175496.db2.gz VDEKASGRTOSNGT-MGPUTAFESA-N 1 0 459.413 4.509 20 0 JJADRO Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)o1 ZINC001360997209 1066175675 /nfs/dbraw/zinc/17/56/75/1066175675.db2.gz CMNSLXCTXRHEIR-NDEPHWFRSA-N 1 0 479.669 4.867 20 0 JJADRO Cc1cccc([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCOC(C)C)CC2)c1 ZINC001361004236 1066182571 /nfs/dbraw/zinc/18/25/71/1066182571.db2.gz JYOWWJHDUHFDST-OAQYLSRUSA-N 1 0 483.060 4.653 20 0 JJADRO Cc1cc(C)c(Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361011924 1066196056 /nfs/dbraw/zinc/19/60/56/1066196056.db2.gz JLKPFUIADKSRKP-NDEPHWFRSA-N 1 0 483.701 4.603 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CC3)n2CCC[N@H+](C)C2CCCCC2)c(C)c1 ZINC001361013974 1066198870 /nfs/dbraw/zinc/19/88/70/1066198870.db2.gz BNFHKFIBQWFCKD-UHFFFAOYSA-N 1 0 466.674 4.810 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCC[N@@H+](C)C(C)C)c(C)c1 ZINC001361014081 1066199529 /nfs/dbraw/zinc/19/95/29/1066199529.db2.gz FWZYPEROHYXKKD-UHFFFAOYSA-N 1 0 456.679 4.597 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361018850 1066208755 /nfs/dbraw/zinc/20/87/55/1066208755.db2.gz UEAXRETTXQXOPY-NLFFAJNJSA-N 1 0 469.655 4.702 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361020901 1066212430 /nfs/dbraw/zinc/21/24/30/1066212430.db2.gz MEAAVYZOMFILLW-QHCPKHFHSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001361022071 1066216227 /nfs/dbraw/zinc/21/62/27/1066216227.db2.gz FGPNZKFLCLKCQF-VSPOGIRPSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001361022070 1066216358 /nfs/dbraw/zinc/21/63/58/1066216358.db2.gz FGPNZKFLCLKCQF-RASJMTDNSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361022271 1066217537 /nfs/dbraw/zinc/21/75/37/1066217537.db2.gz KYSPQZLJGOKVKS-ZEQRLZLVSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361022557 1066218105 /nfs/dbraw/zinc/21/81/05/1066218105.db2.gz UWLSSXNLRPOFMC-FXAWDEMLSA-N 1 0 467.580 4.983 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361022568 1066218736 /nfs/dbraw/zinc/21/87/36/1066218736.db2.gz VHRMRYSGQUBTST-GVAUOCQISA-N 1 0 483.701 4.705 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361023900 1066220607 /nfs/dbraw/zinc/22/06/07/1066220607.db2.gz FRILZAUHHIHHMC-IOZGHAEBSA-N 1 0 457.688 4.536 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001361025082 1066223902 /nfs/dbraw/zinc/22/39/02/1066223902.db2.gz VYCIKEPAMNJKOL-XMMPIXPASA-N 1 0 496.744 4.620 20 0 JJADRO CC[C@@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1)OC ZINC001545951988 1066224011 /nfs/dbraw/zinc/22/40/11/1066224011.db2.gz GCZIRZCIXZWWLZ-VWNXMTODSA-N 1 0 469.674 4.915 20 0 JJADRO COc1ccc(-c2nc(CCNC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)co2)cc1 ZINC001442808816 1066225753 /nfs/dbraw/zinc/22/57/53/1066225753.db2.gz KIFDXEMPFGHUNE-ZEQKJWHPSA-N 1 0 461.606 4.803 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001361026768 1066227439 /nfs/dbraw/zinc/22/74/39/1066227439.db2.gz FVUFTXQVCKYPCH-IBGZPJMESA-N 1 0 461.601 4.831 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC2(C)CCOCC2)c1 ZINC001361027009 1066228164 /nfs/dbraw/zinc/22/81/64/1066228164.db2.gz JNPIGZMHKWICNV-UHFFFAOYSA-N 1 0 483.701 4.847 20 0 JJADRO C[C@]1(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC(c2cccc(Cl)c2F)=NO1 ZINC001442837702 1066230152 /nfs/dbraw/zinc/23/01/52/1066230152.db2.gz GKJDUFTZTQDIGX-RUZDIDTESA-N 1 0 457.977 4.529 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361027665 1066230230 /nfs/dbraw/zinc/23/02/30/1066230230.db2.gz QWGJPWDOQLYFGC-QFIPXVFZSA-N 1 0 497.728 4.973 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2CCC[C@@H](O)C2)c1 ZINC001361027764 1066231090 /nfs/dbraw/zinc/23/10/90/1066231090.db2.gz SLOUCVUBWCTAAD-LOSJGSFVSA-N 1 0 483.701 4.582 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)c1 ZINC001361027803 1066231189 /nfs/dbraw/zinc/23/11/89/1066231189.db2.gz DJJJUYJRCIXNIS-PSWAGMNNSA-N 1 0 483.701 4.846 20 0 JJADRO CCCN(C(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442869054 1066234763 /nfs/dbraw/zinc/23/47/63/1066234763.db2.gz JFQLKOOCVFMOFW-REWPJTCUSA-N 1 0 452.517 4.631 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361029091 1066236292 /nfs/dbraw/zinc/23/62/92/1066236292.db2.gz YTLVROQKZYHZGI-VXKWHMMOSA-N 1 0 471.715 4.926 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2cccc(NCc3ccccn3)c2)c1 ZINC001442910417 1066239380 /nfs/dbraw/zinc/23/93/80/1066239380.db2.gz VGSUZXXRAKLNFA-UHFFFAOYSA-N 1 0 457.578 4.761 20 0 JJADRO Cc1c(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC([NH2+]C(C)C)CC2)cnn1CC(C)C ZINC001361031122 1066240301 /nfs/dbraw/zinc/24/03/01/1066240301.db2.gz IJJHNTKCZKKWDC-UHFFFAOYSA-N 1 0 493.700 4.650 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001361031447 1066241636 /nfs/dbraw/zinc/24/16/36/1066241636.db2.gz RNAUQFKTYOJXNS-DEOSSOPVSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001361031511 1066242429 /nfs/dbraw/zinc/24/24/29/1066242429.db2.gz UBZWYJFUUJLLES-RXVVDRJESA-N 1 0 479.591 4.985 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3c3cnn(C)c3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001361032050 1066244180 /nfs/dbraw/zinc/24/41/80/1066244180.db2.gz JLGNSFJDIZNSPQ-NOZRDPDXSA-N 1 0 479.673 4.525 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361032646 1066247067 /nfs/dbraw/zinc/24/70/67/1066247067.db2.gz SYJRZPKJZOFTML-DHIUTWEWSA-N 1 0 469.674 4.742 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCC(C)(F)F)c1 ZINC001361034961 1066251553 /nfs/dbraw/zinc/25/15/53/1066251553.db2.gz KQBPDGPXWNKCAG-UHFFFAOYSA-N 1 0 461.601 4.974 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361035103 1066252283 /nfs/dbraw/zinc/25/22/83/1066252283.db2.gz QKEZDJPCTRUPFI-MUUNZHRXSA-N 1 0 483.701 4.726 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001361038839 1066258630 /nfs/dbraw/zinc/25/86/30/1066258630.db2.gz QPCRWDRDLSBLEF-QFIPXVFZSA-N 1 0 495.590 4.506 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361038965 1066259051 /nfs/dbraw/zinc/25/90/51/1066259051.db2.gz UJUMGRTWRVJEJH-JOCHJYFZSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001361039637 1066261604 /nfs/dbraw/zinc/26/16/04/1066261604.db2.gz OULJSPNBFWSPBV-CTNGQTDRSA-N 1 0 471.696 4.780 20 0 JJADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001454268898 1066261631 /nfs/dbraw/zinc/26/16/31/1066261631.db2.gz LOHOOZGJOFGXAQ-KSFYIVLOSA-N 1 0 453.435 4.569 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361039744 1066261753 /nfs/dbraw/zinc/26/17/53/1066261753.db2.gz SOTBYPCDPSUXPP-OYRHEFFESA-N 1 0 463.617 4.932 20 0 JJADRO C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001443090270 1066265223 /nfs/dbraw/zinc/26/52/23/1066265223.db2.gz LMQZEKBBZRLHBP-IBGZPJMESA-N 1 0 453.558 4.878 20 0 JJADRO C[N@@H+]1C[C@H](C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)[C@@H](c2ccccc2)C1 ZINC001443104840 1066269347 /nfs/dbraw/zinc/26/93/47/1066269347.db2.gz YTCCUFOMKXGICB-FTJBHMTQSA-N 1 0 464.993 4.759 20 0 JJADRO CC[C@@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CCC[N@@H+](C(C)C)CC2)O1 ZINC001546059910 1066270906 /nfs/dbraw/zinc/27/09/06/1066270906.db2.gz SMUSSNJZKLDDKO-LVXARBLLSA-N 1 0 487.714 4.847 20 0 JJADRO Cc1cc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361046157 1066274690 /nfs/dbraw/zinc/27/46/90/1066274690.db2.gz XNDZZUFBCJDWNN-FCHUYYIVSA-N 1 0 464.658 4.641 20 0 JJADRO CC(C)(C)OC(=O)NCCc1ccc(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC001443161317 1066275835 /nfs/dbraw/zinc/27/58/35/1066275835.db2.gz JIKJWHJPAJFKLI-DEOSSOPVSA-N 1 0 451.611 4.711 20 0 JJADRO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001454394072 1066276573 /nfs/dbraw/zinc/27/65/73/1066276573.db2.gz ANJUVVCBVAADJL-CLJLJLNGSA-N 1 0 457.659 4.688 20 0 JJADRO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001454394627 1066276647 /nfs/dbraw/zinc/27/66/47/1066276647.db2.gz BBEYJFQILTZRJC-SVBPBHIXSA-N 1 0 451.586 4.795 20 0 JJADRO Cc1ccc(-n2ncc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)cc1 ZINC001361047977 1066277268 /nfs/dbraw/zinc/27/72/68/1066277268.db2.gz NTPAJEOOAMRQGW-PGRDOPGGSA-N 1 0 456.512 4.840 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396009 1066277215 /nfs/dbraw/zinc/27/72/15/1066277215.db2.gz BGETZDSLOJZXBZ-BEFAXECRSA-N 1 0 454.924 4.583 20 0 JJADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC001443185615 1066277921 /nfs/dbraw/zinc/27/79/21/1066277921.db2.gz MIFGYPNDKBWADV-HNNXBMFYSA-N 1 0 453.808 4.980 20 0 JJADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC001443188364 1066277976 /nfs/dbraw/zinc/27/79/76/1066277976.db2.gz SWLBGPPGTYSKLJ-DEOSSOPVSA-N 1 0 451.611 4.631 20 0 JJADRO C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399503 1066278240 /nfs/dbraw/zinc/27/82/40/1066278240.db2.gz FWUGBIXKESPMOR-YZUZCNPQSA-N 1 0 457.659 4.687 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001361048664 1066278207 /nfs/dbraw/zinc/27/82/07/1066278207.db2.gz ZVIHBXYUNFBZSY-QDSKXPNFSA-N 1 0 457.659 4.877 20 0 JJADRO CCOc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)ccc1OCc1cccnc1 ZINC001454400438 1066278468 /nfs/dbraw/zinc/27/84/68/1066278468.db2.gz LCQOKTWVANUIOQ-OFVILXPXSA-N 1 0 459.590 4.700 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001454407790 1066279951 /nfs/dbraw/zinc/27/99/51/1066279951.db2.gz RQTMLKIBLDVNBU-KUHUBIRLSA-N 1 0 451.792 4.752 20 0 JJADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC001443215414 1066281400 /nfs/dbraw/zinc/28/14/00/1066281400.db2.gz MXECEKXHZBFGAD-IBGZPJMESA-N 1 0 459.569 4.746 20 0 JJADRO Cc1cc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2n1 ZINC001361049905 1066283613 /nfs/dbraw/zinc/28/36/13/1066283613.db2.gz QRAVNXQSAJKWGH-LJQANCHMSA-N 1 0 450.631 4.536 20 0 JJADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC001443260663 1066286504 /nfs/dbraw/zinc/28/65/04/1066286504.db2.gz FPLSSWSSCFUKNE-YLJYHZDGSA-N 1 0 457.416 4.528 20 0 JJADRO Cc1cccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001361053479 1066289633 /nfs/dbraw/zinc/28/96/33/1066289633.db2.gz JJFWPTXGQVGEJE-NAKRPHOHSA-N 1 0 483.701 4.632 20 0 JJADRO O=C(N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001454480621 1066290652 /nfs/dbraw/zinc/29/06/52/1066290652.db2.gz QGRWAXUOKHIGPU-UXHICEINSA-N 1 0 457.348 4.691 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H](C(C)C)[NH+]2CCCC2)no1 ZINC001361054709 1066290754 /nfs/dbraw/zinc/29/07/54/1066290754.db2.gz CEXHLEJKLHPJHQ-KRWDZBQOSA-N 1 0 493.475 4.822 20 0 JJADRO Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361054810 1066291478 /nfs/dbraw/zinc/29/14/78/1066291478.db2.gz HFMUAMAHCFPCRR-UHFFFAOYSA-N 1 0 485.474 4.865 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2CC2([NH+](C)C)CCCCC2)no1 ZINC001361055410 1066293982 /nfs/dbraw/zinc/29/39/82/1066293982.db2.gz WFQAQPQIIDLOAD-UHFFFAOYSA-N 1 0 493.475 4.966 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)CCc1nccs1)[NH+]1CCCC1 ZINC001545957002 1066295706 /nfs/dbraw/zinc/29/57/06/1066295706.db2.gz MUFMALASBISWIL-IBGZPJMESA-N 1 0 489.487 4.717 20 0 JJADRO Cc1cccc(CN(C)c2nnc(Cc3cccnc3)n2CC2CC[NH+](CCC(C)C)CC2)c1 ZINC001361063569 1066302626 /nfs/dbraw/zinc/30/26/26/1066302626.db2.gz MHRQGNRKLXOEQT-UHFFFAOYSA-N 1 0 460.670 4.967 20 0 JJADRO Cc1cc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)no1 ZINC001361066468 1066305949 /nfs/dbraw/zinc/30/59/49/1066305949.db2.gz KFWUCIAYOBISPX-OAHLLOKOSA-N 1 0 461.035 4.639 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC001361066623 1066306492 /nfs/dbraw/zinc/30/64/92/1066306492.db2.gz MPGIJRDTGQINFZ-RTBURBONSA-N 1 0 484.620 4.686 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)no1 ZINC001361066804 1066306773 /nfs/dbraw/zinc/30/67/73/1066306773.db2.gz SXLZEYCVCWQDOF-LJQANCHMSA-N 1 0 473.021 4.564 20 0 JJADRO CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1ccsc1)[NH+]1CCCC1 ZINC001545958258 1066307824 /nfs/dbraw/zinc/30/78/24/1066307824.db2.gz ADDRSVVWKBCMHG-HXUWFJFHSA-N 1 0 455.628 4.535 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C1CCC1)[NH+]1CCCC1 ZINC001545958459 1066310613 /nfs/dbraw/zinc/31/06/13/1066310613.db2.gz DOKNNURKXOVCNK-INIZCTEOSA-N 1 0 450.400 4.710 20 0 JJADRO C[NH+](C)Cc1cccc(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)c1 ZINC001443476534 1066315905 /nfs/dbraw/zinc/31/59/05/1066315905.db2.gz CQQAKCQBVDBJMJ-UHFFFAOYSA-N 1 0 456.359 4.887 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545959079 1066316410 /nfs/dbraw/zinc/31/64/10/1066316410.db2.gz PLLAXFBXQBWFKI-GOSISDBHSA-N 1 0 493.494 4.694 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001545959105 1066316823 /nfs/dbraw/zinc/31/68/23/1066316823.db2.gz PQRNWPRVTGKYCL-MOPGFXCFSA-N 1 0 451.537 4.607 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001545959108 1066316840 /nfs/dbraw/zinc/31/68/40/1066316840.db2.gz PQRNWPRVTGKYCL-RTBURBONSA-N 1 0 451.537 4.607 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001454665752 1066318462 /nfs/dbraw/zinc/31/84/62/1066318462.db2.gz FGYQDFCCDUMFNW-ZEQRLZLVSA-N 1 0 451.611 4.813 20 0 JJADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC001443501614 1066319377 /nfs/dbraw/zinc/31/93/77/1066319377.db2.gz WDMXTAOXVHFSOI-UHFFFAOYSA-N 1 0 456.652 4.553 20 0 JJADRO CC[NH+](CC)C1CCN(C(=O)CCc2cc(Br)c(Br)s2)CC1 ZINC001443520467 1066322879 /nfs/dbraw/zinc/32/28/79/1066322879.db2.gz SGFLWBDSYSUMIB-UHFFFAOYSA-N 1 0 452.256 4.539 20 0 JJADRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1 ZINC001443530482 1066323143 /nfs/dbraw/zinc/32/31/43/1066323143.db2.gz IBWKVTLIKDGYLQ-NRFANRHFSA-N 1 0 451.394 4.942 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001361087220 1066325677 /nfs/dbraw/zinc/32/56/77/1066325677.db2.gz CGEDHCSDAZQUCS-HSALFYBXSA-N 1 0 460.066 4.826 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001546064805 1066326887 /nfs/dbraw/zinc/32/68/87/1066326887.db2.gz WQEPZOJNZKLPRU-FCHUYYIVSA-N 1 0 478.504 4.771 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001546064807 1066327051 /nfs/dbraw/zinc/32/70/51/1066327051.db2.gz WQEPZOJNZKLPRU-VXKWHMMOSA-N 1 0 478.504 4.771 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@H](C)[NH+](C)C ZINC001361087680 1066327543 /nfs/dbraw/zinc/32/75/43/1066327543.db2.gz ADJXBSADBRTRTD-KRWDZBQOSA-N 1 0 485.982 4.900 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC[N@H+]1CC=CCC1 ZINC001361087785 1066327823 /nfs/dbraw/zinc/32/78/23/1066327823.db2.gz CHQPOJBKYJOARP-NHCUHLMSSA-N 1 0 490.117 4.844 20 0 JJADRO CC(C)=CC(=O)NCc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC001443575802 1066330083 /nfs/dbraw/zinc/33/00/83/1066330083.db2.gz CIOXCEBEODIRPY-UHFFFAOYSA-N 1 0 454.014 4.564 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001454749346 1066330868 /nfs/dbraw/zinc/33/08/68/1066330868.db2.gz ZDCYQNKOFXJDAT-WNOPAQSVSA-N 1 0 479.448 4.740 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(F)(F)F)n1CC1([NH+](C)C)CCC1 ZINC001361088489 1066331293 /nfs/dbraw/zinc/33/12/93/1066331293.db2.gz WRMQONMTZWGJER-UHFFFAOYSA-N 1 0 473.971 4.734 20 0 JJADRO Cn1ccnc1SCc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC001443581102 1066331904 /nfs/dbraw/zinc/33/19/04/1066331904.db2.gz RBVVZDVYHHEQLN-UHFFFAOYSA-N 1 0 459.015 4.601 20 0 JJADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC001443604763 1066336370 /nfs/dbraw/zinc/33/63/70/1066336370.db2.gz YWDZNELWEFUIFG-KRWDZBQOSA-N 1 0 458.027 4.744 20 0 JJADRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)C1 ZINC001443615565 1066337813 /nfs/dbraw/zinc/33/78/13/1066337813.db2.gz BWOGGWFHCVTFLQ-CAOCKLPOSA-N 1 0 454.659 4.822 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSC[C@@H]2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001361090134 1066337830 /nfs/dbraw/zinc/33/78/30/1066337830.db2.gz ATBMAGMOHPPXDQ-FPOVZHCZSA-N 1 0 492.133 4.925 20 0 JJADRO CC(C)[C@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001454891316 1066339010 /nfs/dbraw/zinc/33/90/10/1066339010.db2.gz PCQVYNKLBNYVPD-IEBWSBKVSA-N 1 0 458.430 4.700 20 0 JJADRO CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443629095 1066339445 /nfs/dbraw/zinc/33/94/45/1066339445.db2.gz DLOZEWBCHMSTDL-SQZREULQSA-N 1 0 456.030 4.859 20 0 JJADRO Cc1cccc2cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(Cl)nc12 ZINC001443632218 1066340749 /nfs/dbraw/zinc/34/07/49/1066340749.db2.gz MAOCGWJWUWXFGM-UHFFFAOYSA-N 1 0 457.405 4.792 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001361091556 1066341190 /nfs/dbraw/zinc/34/11/90/1066341190.db2.gz QPMZABINRFKRFW-PZJWPPBQSA-N 1 0 492.133 4.925 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC[C@@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001361091618 1066341558 /nfs/dbraw/zinc/34/15/58/1066341558.db2.gz ROLAVMFNFAGPOD-NRFANRHFSA-N 1 0 490.092 4.599 20 0 JJADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC001443649340 1066344799 /nfs/dbraw/zinc/34/47/99/1066344799.db2.gz XAHGIPLQAVPRAZ-UHFFFAOYSA-N 1 0 457.368 4.634 20 0 JJADRO Cc1cccc(N(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001361099133 1066348940 /nfs/dbraw/zinc/34/89/40/1066348940.db2.gz ASHCNUKFJBKGSJ-IBGZPJMESA-N 1 0 455.006 4.571 20 0 JJADRO Cc1cccc(N(C)c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001361100142 1066349884 /nfs/dbraw/zinc/34/98/84/1066349884.db2.gz XZEJPSUSCBBVFB-UHFFFAOYSA-N 1 0 490.471 4.692 20 0 JJADRO Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361103152 1066353180 /nfs/dbraw/zinc/35/31/80/1066353180.db2.gz UCHZONPYDNIJPU-NHCUHLMSSA-N 1 0 480.682 4.714 20 0 JJADRO Cc1cccc(O[C@H](C)Cn2c(-c3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001361106418 1066355666 /nfs/dbraw/zinc/35/56/66/1066355666.db2.gz FMDRFBUILPBESM-JOCHJYFZSA-N 1 0 462.642 4.674 20 0 JJADRO COc1cccc(O[C@@H](C)CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001361107189 1066356624 /nfs/dbraw/zinc/35/66/24/1066356624.db2.gz PPBFXXZJEGTERG-WUMKDDEVSA-N 1 0 450.604 4.556 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546068139 1066356799 /nfs/dbraw/zinc/35/67/99/1066356799.db2.gz ITIUARQSBMAGQQ-ZJSXRUAMSA-N 1 0 490.490 4.691 20 0 JJADRO O=C(c1sc2cc(Br)ccc2c1Cl)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001455118782 1066363517 /nfs/dbraw/zinc/36/35/17/1066363517.db2.gz DUKCUMQXKJXNEA-UHFFFAOYSA-N 1 0 457.821 4.690 20 0 JJADRO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001443765277 1066364261 /nfs/dbraw/zinc/36/42/61/1066364261.db2.gz CTWPLOZJKIBWDB-QHCPKHFHSA-N 1 0 454.636 4.641 20 0 JJADRO Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001361115460 1066366928 /nfs/dbraw/zinc/36/69/28/1066366928.db2.gz LIEBQEOTFDTFKE-FQEVSTJZSA-N 1 0 486.730 4.563 20 0 JJADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC001443777552 1066367511 /nfs/dbraw/zinc/36/75/11/1066367511.db2.gz WLXCKVJEFKLSTF-PXNSSMCTSA-N 1 0 456.412 4.631 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)OC ZINC001545962434 1066369682 /nfs/dbraw/zinc/36/96/82/1066369682.db2.gz CHSWPAYUCIPBRN-SANMLTNESA-N 1 0 496.744 4.662 20 0 JJADRO Cc1ccc(-n2nc(C(=O)Nc3ccc(OCC[NH+](C)C)c(Cl)c3)c3c2CCC3)c(C)c1 ZINC001443851163 1066376462 /nfs/dbraw/zinc/37/64/62/1066376462.db2.gz QBPBUEYMHQLQHB-UHFFFAOYSA-N 1 0 452.986 4.824 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001361124084 1066376959 /nfs/dbraw/zinc/37/69/59/1066376959.db2.gz WJONWCIZWXJBPE-HXUWFJFHSA-N 1 0 497.606 4.788 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H]([C@H]4CCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361125745 1066379224 /nfs/dbraw/zinc/37/92/24/1066379224.db2.gz BTOGEESZTIAFAU-PKTZIBPZSA-N 1 0 483.701 4.740 20 0 JJADRO CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001455277425 1066379277 /nfs/dbraw/zinc/37/92/77/1066379277.db2.gz WENAGXAWFMGHLN-QFIPXVFZSA-N 1 0 455.643 4.585 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001546070980 1066380060 /nfs/dbraw/zinc/38/00/60/1066380060.db2.gz UEGWDEBEDPVFJV-OZXSUGGESA-N 1 0 455.647 4.525 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001361125970 1066381298 /nfs/dbraw/zinc/38/12/98/1066381298.db2.gz IDRUEACSCYSTFB-TZRRMPRUSA-N 1 0 483.701 4.761 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001361126011 1066381910 /nfs/dbraw/zinc/38/19/10/1066381910.db2.gz IYAVUUOJJVTTGE-UHYSMRQQSA-N 1 0 497.728 4.862 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCCOC(F)F)c1 ZINC001361126298 1066383383 /nfs/dbraw/zinc/38/33/83/1066383383.db2.gz PWDBSPSNHYLPPO-PMACEKPBSA-N 1 0 477.600 4.591 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCCOC(F)F)c1 ZINC001361126299 1066383420 /nfs/dbraw/zinc/38/34/20/1066383420.db2.gz PWDBSPSNHYLPPO-UXHICEINSA-N 1 0 477.600 4.591 20 0 JJADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001443909811 1066384684 /nfs/dbraw/zinc/38/46/84/1066384684.db2.gz QMQUQJOMCRPNGC-HXUWFJFHSA-N 1 0 457.659 4.539 20 0 JJADRO Cc1cc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)ccc1NC(=O)CC(C)C ZINC001443913566 1066384943 /nfs/dbraw/zinc/38/49/43/1066384943.db2.gz ITJUWURAADGZNY-NRFANRHFSA-N 1 0 451.611 4.609 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@H+]2CC=CCC2)c1 ZINC001361126621 1066385380 /nfs/dbraw/zinc/38/53/80/1066385380.db2.gz WJRLUGFNQYMRLW-UHFFFAOYSA-N 1 0 481.685 4.945 20 0 JJADRO Cc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C)n1[C@H](C)c1ccccc1 ZINC001443942177 1066387012 /nfs/dbraw/zinc/38/70/12/1066387012.db2.gz WNPSQQJLOIOCPX-OAQYLSRUSA-N 1 0 458.606 4.792 20 0 JJADRO Cc1nn(C)c(C)c1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001361128319 1066391337 /nfs/dbraw/zinc/39/13/37/1066391337.db2.gz WMGWKXSUUIDQAP-UHFFFAOYSA-N 1 0 493.700 4.654 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C)C3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001361128549 1066392350 /nfs/dbraw/zinc/39/23/50/1066392350.db2.gz YZDNYOOSFGRQPQ-QFIPXVFZSA-N 1 0 469.674 4.636 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC001455495220 1066397700 /nfs/dbraw/zinc/39/77/00/1066397700.db2.gz OSFHQJAMZZATKE-HSZRJFAPSA-N 1 0 457.659 4.975 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001361131197 1066398330 /nfs/dbraw/zinc/39/83/30/1066398330.db2.gz BBFIZOHKBBTQIU-UGKGYDQZSA-N 1 0 457.688 4.571 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@@H]3C)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361131167 1066398503 /nfs/dbraw/zinc/39/85/03/1066398503.db2.gz AUFFZRJUVLDDOL-FQEVSTJZSA-N 1 0 459.704 4.818 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@@H]3C)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361131597 1066399882 /nfs/dbraw/zinc/39/98/82/1066399882.db2.gz LUAOXWXCLWQMFP-RTWAWAEBSA-N 1 0 457.688 4.715 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@H]3C)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361131953 1066400770 /nfs/dbraw/zinc/40/07/70/1066400770.db2.gz RMKROFKQRXIFDE-JOCHJYFZSA-N 1 0 457.663 4.633 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CC2)[NH+](C)C)cc1 ZINC001361134636 1066406522 /nfs/dbraw/zinc/40/65/22/1066406522.db2.gz GGLGMKHNFZCSMT-OAQYLSRUSA-N 1 0 471.447 4.504 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(N(C)C(C)=O)CC1)[NH+]1CCCC1 ZINC001545964447 1066407766 /nfs/dbraw/zinc/40/77/66/1066407766.db2.gz DUFQDJSJNSIKSI-LJQANCHMSA-N 1 0 493.483 4.573 20 0 JJADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccccn2)cc1 ZINC001444124408 1066409258 /nfs/dbraw/zinc/40/92/58/1066409258.db2.gz AACBYFLDXWZVCJ-NRFANRHFSA-N 1 0 455.480 4.684 20 0 JJADRO Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361136292 1066410317 /nfs/dbraw/zinc/41/03/17/1066410317.db2.gz ROQJAMVMVVVMBP-RBZQAINGSA-N 1 0 496.700 4.752 20 0 JJADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccccc2)cn1 ZINC001444127378 1066410410 /nfs/dbraw/zinc/41/04/10/1066410410.db2.gz DBNTYWXPVOXPAN-OAQYLSRUSA-N 1 0 455.480 4.684 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545964572 1066410963 /nfs/dbraw/zinc/41/09/63/1066410963.db2.gz GYIMCVPEPVUINF-GHTZIAJQSA-N 1 0 464.029 4.863 20 0 JJADRO C[C@H](C(=O)N[C@H]1CCOc2ccc(Br)cc21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001455568881 1066412533 /nfs/dbraw/zinc/41/25/33/1066412533.db2.gz SFXTURUJJYFADU-VGSWGCGISA-N 1 0 457.412 4.732 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(Br)o2)[NH+](C)C)cc1 ZINC001361138566 1066413736 /nfs/dbraw/zinc/41/37/36/1066413736.db2.gz BYXFSGLEEIDFDJ-OAQYLSRUSA-N 1 0 495.425 4.943 20 0 JJADRO Cc1ccc([C@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)[NH+](C)C)cc1 ZINC001361139340 1066414352 /nfs/dbraw/zinc/41/43/52/1066414352.db2.gz IDDLAJMSOKHIIU-UPVQGACJSA-N 1 0 496.700 4.993 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH2+]C(C)C)CC1)Oc1cccc(F)c1 ZINC001545964901 1066414625 /nfs/dbraw/zinc/41/46/25/1066414625.db2.gz MBRDLIVWIRZLNW-OAQYLSRUSA-N 1 0 487.023 4.957 20 0 JJADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC001444141468 1066414773 /nfs/dbraw/zinc/41/47/73/1066414773.db2.gz UIMNSYOQQHHICQ-AWEZNQCLSA-N 1 0 451.798 4.777 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC([C@@H]3CCOC3)CC2)[NH+](C)C)cc1 ZINC001361139398 1066415027 /nfs/dbraw/zinc/41/50/27/1066415027.db2.gz JESJRHGWSGMZPY-RPWUZVMVSA-N 1 0 453.675 4.731 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)[NH+]2CCCC2)cc1 ZINC001361139446 1066415142 /nfs/dbraw/zinc/41/51/42/1066415142.db2.gz JVMVJTCDXDCVOS-HJNYFJLDSA-N 1 0 479.591 4.778 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001361139708 1066415843 /nfs/dbraw/zinc/41/58/43/1066415843.db2.gz OBWPTTIKDVGXQW-RUZDIDTESA-N 1 0 494.728 4.753 20 0 JJADRO Cc1noc(C2(C)CCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)n1 ZINC001361139549 1066415907 /nfs/dbraw/zinc/41/59/07/1066415907.db2.gz LSPMJWDUGCLEEQ-QFIPXVFZSA-N 1 0 479.673 4.728 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2cnc(C(C)C)nc2)[NH+](C)C)cc1 ZINC001361139929 1066416511 /nfs/dbraw/zinc/41/65/11/1066416511.db2.gz RSUBOOBFLXFELB-XMMPIXPASA-N 1 0 470.625 4.501 20 0 JJADRO CC(C)(C)OC(=O)N1CC=C(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CC1 ZINC001455648603 1066419019 /nfs/dbraw/zinc/41/90/19/1066419019.db2.gz DBZHFIJYWHELOW-UHFFFAOYSA-N 1 0 453.505 4.807 20 0 JJADRO Cc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361141009 1066419225 /nfs/dbraw/zinc/41/92/25/1066419225.db2.gz JWJFVHAJFUMVCY-YADHBBJMSA-N 1 0 494.709 4.753 20 0 JJADRO Cc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C)CC2)[NH+](C)C)cc1 ZINC001361140942 1066419262 /nfs/dbraw/zinc/41/92/62/1066419262.db2.gz JEFMSJUELQLWCD-UGKGYDQZSA-N 1 0 480.682 4.507 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361141006 1066419355 /nfs/dbraw/zinc/41/93/55/1066419355.db2.gz JWJFVHAJFUMVCY-FCHUYYIVSA-N 1 0 494.709 4.753 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC3CC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC001361141835 1066422352 /nfs/dbraw/zinc/42/23/52/1066422352.db2.gz RCHIIEGEZHOSKZ-DEOSSOPVSA-N 1 0 496.700 4.678 20 0 JJADRO Cc1ccc(Br)cc1C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001455713506 1066425568 /nfs/dbraw/zinc/42/55/68/1066425568.db2.gz CINUHSZTHXRYTP-NRFANRHFSA-N 1 0 457.412 4.701 20 0 JJADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)C1 ZINC001444178443 1066426386 /nfs/dbraw/zinc/42/63/86/1066426386.db2.gz VKZIMHRHVMWTRK-UPVQGACJSA-N 1 0 455.643 4.586 20 0 JJADRO CC(C)C[C@@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC001444196282 1066428433 /nfs/dbraw/zinc/42/84/33/1066428433.db2.gz JTHFBMQZCMYCKQ-XMMPIXPASA-N 1 0 456.030 4.612 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361145666 1066429696 /nfs/dbraw/zinc/42/96/96/1066429696.db2.gz FOVHPUCAMUAFNN-RBBKRZOGSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1ccc(N(C(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)C2CCC2)cc1 ZINC001455787134 1066430649 /nfs/dbraw/zinc/43/06/49/1066430649.db2.gz LWEAWPJAZKMBQK-DEOSSOPVSA-N 1 0 451.611 4.906 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCCC1 ZINC001545966266 1066431728 /nfs/dbraw/zinc/43/17/28/1066431728.db2.gz BBHXMMSLCGVUOV-IFMALSPDSA-N 1 0 485.673 4.619 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001444258841 1066436817 /nfs/dbraw/zinc/43/68/17/1066436817.db2.gz KLDWQYXKSQOTLN-KIHHCIJBSA-N 1 0 455.643 4.583 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001444258852 1066436873 /nfs/dbraw/zinc/43/68/73/1066436873.db2.gz KLDWQYXKSQOTLN-ZJZGAYNASA-N 1 0 455.643 4.583 20 0 JJADRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)C2CCC([NH+]3CCOCC3)CC2)c1 ZINC001444259251 1066437774 /nfs/dbraw/zinc/43/77/74/1066437774.db2.gz FJOXFZLUOGRHOD-ZOGOTRPCSA-N 1 0 450.623 4.603 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(Cc3cccs3)C(C)C)n2CC[NH+]2CCSCC2)c1 ZINC001361149106 1066438775 /nfs/dbraw/zinc/43/87/75/1066438775.db2.gz IRMWTCBLNFUMAG-UHFFFAOYSA-N 1 0 485.723 4.999 20 0 JJADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cc3cc(F)ccc3s2)CC1 ZINC001444270391 1066440335 /nfs/dbraw/zinc/44/03/35/1066440335.db2.gz PTKZRNMZMOCKCL-UHFFFAOYSA-N 1 0 451.489 4.741 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361151313 1066442597 /nfs/dbraw/zinc/44/25/97/1066442597.db2.gz GZWNYUFIIZFKAB-HIGZBPRKSA-N 1 0 483.701 4.844 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001361151751 1066443738 /nfs/dbraw/zinc/44/37/38/1066443738.db2.gz LFXSEFUNGJRAQX-OAQYLSRUSA-N 1 0 481.641 4.764 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001361152039 1066445411 /nfs/dbraw/zinc/44/54/11/1066445411.db2.gz ONJYXZZKBSWOQF-QFIPXVFZSA-N 1 0 469.674 4.742 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001361153345 1066449154 /nfs/dbraw/zinc/44/91/54/1066449154.db2.gz XZBHOJJWDZQDPB-BJKOFHAPSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001361153348 1066449320 /nfs/dbraw/zinc/44/93/20/1066449320.db2.gz XZBHOJJWDZQDPB-RPWUZVMVSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001361154733 1066451777 /nfs/dbraw/zinc/45/17/77/1066451777.db2.gz FPVDTTBINDRHJE-XMMPIXPASA-N 1 0 483.701 4.990 20 0 JJADRO CC(C)c1ccc2c(Cl)c(C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)sc2c1 ZINC001455927471 1066452457 /nfs/dbraw/zinc/45/24/57/1066452457.db2.gz NISXQFVAQKPDTO-UHFFFAOYSA-N 1 0 458.027 4.900 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361155017 1066452564 /nfs/dbraw/zinc/45/25/64/1066452564.db2.gz IZMSXRGHHGKRAK-LOSJGSFVSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCO[C@H]2C(C)C)c1 ZINC001361155118 1066453072 /nfs/dbraw/zinc/45/30/72/1066453072.db2.gz LZARBAHZQKQICC-NVQXNPDNSA-N 1 0 469.674 4.502 20 0 JJADRO Cc1cc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)ccc1OCC[NH+]1CCCC1 ZINC001444351049 1066453162 /nfs/dbraw/zinc/45/31/62/1066453162.db2.gz NDVPAOVZNVDARY-JOCHJYFZSA-N 1 0 457.615 4.588 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Cc3cccc(OCc4cccnc4)c3)cc2)CC1 ZINC001444349550 1066453210 /nfs/dbraw/zinc/45/32/10/1066453210.db2.gz LOHJYHOXNNNUOH-UHFFFAOYSA-N 1 0 458.606 4.620 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001546077771 1066456499 /nfs/dbraw/zinc/45/64/99/1066456499.db2.gz VUOCEENMCFJEOC-CUNXSJBXSA-N 1 0 453.675 4.819 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCC(C)(C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361156035 1066456928 /nfs/dbraw/zinc/45/69/28/1066456928.db2.gz LKDMWTMTHSLWFY-ZRZAMGCNSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001361156175 1066457666 /nfs/dbraw/zinc/45/76/66/1066457666.db2.gz POUXCJWMHNHIGD-HXUWFJFHSA-N 1 0 461.601 4.830 20 0 JJADRO C[C@H](NC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)[C@@H]1C[N@H+](C)CCN1C ZINC001444401640 1066458046 /nfs/dbraw/zinc/45/80/46/1066458046.db2.gz DIPMSLRSKNSSMW-PAXLWEDBSA-N 1 0 452.451 4.577 20 0 JJADRO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c3ccccc3)cc21 ZINC001444409927 1066460079 /nfs/dbraw/zinc/46/00/79/1066460079.db2.gz QDLFJBBIIFYPBX-SANMLTNESA-N 1 0 450.583 4.582 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)c1 ZINC001455956994 1066460697 /nfs/dbraw/zinc/46/06/97/1066460697.db2.gz DIBFVMRAOSSGNO-XMMPIXPASA-N 1 0 451.611 4.767 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CCOc2ccc(Cl)cc2Br)c1 ZINC001455964537 1066461716 /nfs/dbraw/zinc/46/17/16/1066461716.db2.gz RSXDZZXPHNEUHL-UHFFFAOYSA-N 1 0 453.808 4.770 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361158721 1066461749 /nfs/dbraw/zinc/46/17/49/1066461749.db2.gz FJAKLYROSVTILG-VDKIKQQVSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361159078 1066463030 /nfs/dbraw/zinc/46/30/30/1066463030.db2.gz OAPXICAGAWXTPD-JRFVFWCSSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2nccc(C(F)F)n2)c1 ZINC001361159125 1066463122 /nfs/dbraw/zinc/46/31/22/1066463122.db2.gz PKAIWZBTTRKDRK-UHFFFAOYSA-N 1 0 499.610 4.560 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCN(c4cccs4)CC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361159793 1066465152 /nfs/dbraw/zinc/46/51/52/1066465152.db2.gz KHWBZRCXCLCVDI-UHFFFAOYSA-N 1 0 496.725 4.981 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2ccc(F)cn2)c1 ZINC001361162141 1066468977 /nfs/dbraw/zinc/46/89/77/1066468977.db2.gz JCGREPUGYFVUAB-UHFFFAOYSA-N 1 0 480.632 4.615 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001444506160 1066469512 /nfs/dbraw/zinc/46/95/12/1066469512.db2.gz TWVIHXGTXXDUAA-HSZRJFAPSA-N 1 0 455.643 4.823 20 0 JJADRO CC(C)c1nc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)nn1-c1c(Cl)cccc1Cl ZINC001456005896 1066471034 /nfs/dbraw/zinc/47/10/34/1066471034.db2.gz FQPZFQLYAWXDLN-MRXNPFEDSA-N 1 0 458.393 4.831 20 0 JJADRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC001456008050 1066471164 /nfs/dbraw/zinc/47/11/64/1066471164.db2.gz JHKITWOLIOFZDC-CTNGQTDRSA-N 1 0 457.043 4.819 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361163390 1066472641 /nfs/dbraw/zinc/47/26/41/1066472641.db2.gz XOLXRYRXCWYASI-UKILVPOCSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361163468 1066472695 /nfs/dbraw/zinc/47/26/95/1066472695.db2.gz YJKCWMCHWSYPGN-MHZLTWQESA-N 1 0 471.690 4.703 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001361164024 1066474127 /nfs/dbraw/zinc/47/41/27/1066474127.db2.gz SXUMOGRPGRKQNK-OAQYLSRUSA-N 1 0 457.688 4.680 20 0 JJADRO CC(C)c1nc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001444607410 1066481467 /nfs/dbraw/zinc/48/14/67/1066481467.db2.gz KAGFZRASSSTFEY-UHFFFAOYSA-N 1 0 450.414 4.788 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C[C@H]1C ZINC001444614195 1066483667 /nfs/dbraw/zinc/48/36/67/1066483667.db2.gz INYKWMMYXQMONO-GHMZBOCLSA-N 1 0 455.167 4.543 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C[C@H]1C ZINC001444614199 1066483718 /nfs/dbraw/zinc/48/37/18/1066483718.db2.gz INYKWMMYXQMONO-MNOVXSKESA-N 1 0 455.167 4.543 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001444618899 1066484852 /nfs/dbraw/zinc/48/48/52/1066484852.db2.gz QSAJSBSTININAI-DZGCQCFKSA-N 1 0 456.427 4.514 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC2CC[NH+](CCN(C)C)CC2)o1 ZINC001361170152 1066485110 /nfs/dbraw/zinc/48/51/10/1066485110.db2.gz MLFZLKMTQZXBRX-IBGZPJMESA-N 1 0 486.611 4.596 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2CCSC(F)(F)F)o1 ZINC001361170087 1066485139 /nfs/dbraw/zinc/48/51/39/1066485139.db2.gz FBULGFIOECYDRD-GOSISDBHSA-N 1 0 465.545 4.810 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H]3CCCN(c4ccccc4)C3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361170992 1066486368 /nfs/dbraw/zinc/48/63/68/1066486368.db2.gz KTPHCRGXPRVHCZ-RPWUZVMVSA-N 1 0 464.658 4.928 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361171514 1066487224 /nfs/dbraw/zinc/48/72/24/1066487224.db2.gz VSRNTKQBICGYLU-FYYLOGMGSA-N 1 0 451.615 4.709 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361171469 1066487409 /nfs/dbraw/zinc/48/74/09/1066487409.db2.gz UTTUFLDBAPIBSW-DENIHFKCSA-N 1 0 455.578 4.540 20 0 JJADRO Cc1ccc([C@@H]2C[C@H]2C(=O)NC2CC[NH+](CCOc3ccc(Br)cc3)CC2)cc1C ZINC001444649799 1066488947 /nfs/dbraw/zinc/48/89/47/1066488947.db2.gz MGUGGLWHLNCLFZ-BJKOFHAPSA-N 1 0 471.439 4.829 20 0 JJADRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660390 1066489679 /nfs/dbraw/zinc/48/96/79/1066489679.db2.gz DXVPDAGYRACGQO-QPPBQGQZSA-N 1 0 454.586 4.756 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001545968444 1066492165 /nfs/dbraw/zinc/49/21/65/1066492165.db2.gz FSTZPOBTNZVWBG-FYYLOGMGSA-N 1 0 482.673 4.561 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361175677 1066493525 /nfs/dbraw/zinc/49/35/25/1066493525.db2.gz UQJLWZYXHMKWLN-BVSLBCMMSA-N 1 0 465.642 4.974 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(CC(=O)OC)c1 ZINC001456054476 1066495029 /nfs/dbraw/zinc/49/50/29/1066495029.db2.gz IENLHMGXZTUOPC-UHFFFAOYSA-N 1 0 451.394 4.693 20 0 JJADRO Cn1cc(C(=O)c2cccc3ccccc32)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC001456055623 1066495759 /nfs/dbraw/zinc/49/57/59/1066495759.db2.gz KWRVCJKMXXJAOT-UHFFFAOYSA-N 1 0 457.549 4.752 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001546078911 1066496071 /nfs/dbraw/zinc/49/60/71/1066496071.db2.gz BOFJBTIIFDNRCN-KRHPZPPWSA-N 1 0 496.700 4.978 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC001361177623 1066496658 /nfs/dbraw/zinc/49/66/58/1066496658.db2.gz KUOIALADGLNRMP-IBGZPJMESA-N 1 0 457.022 4.899 20 0 JJADRO CCc1nc2ccc(Cl)cn2c1C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001456055955 1066496698 /nfs/dbraw/zinc/49/66/98/1066496698.db2.gz NNMPKHOCBMSAMV-UHFFFAOYSA-N 1 0 452.908 4.773 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@H+]1CCC[C@H]1C ZINC001361177713 1066497020 /nfs/dbraw/zinc/49/70/20/1066497020.db2.gz NSEFFRKUDKHBCW-MRXNPFEDSA-N 1 0 489.487 4.902 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001361177704 1066497097 /nfs/dbraw/zinc/49/70/97/1066497097.db2.gz NJKZNZNPURPTCZ-HDICACEKSA-N 1 0 454.619 4.846 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC001456059170 1066497873 /nfs/dbraw/zinc/49/78/73/1066497873.db2.gz XTKLJNWWCYNPHP-UHFFFAOYSA-N 1 0 456.537 4.807 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361178107 1066498180 /nfs/dbraw/zinc/49/81/80/1066498180.db2.gz ZYSBOXMSDFOTRH-GOSISDBHSA-N 1 0 462.598 4.998 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3F)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361181083 1066502454 /nfs/dbraw/zinc/50/24/54/1066502454.db2.gz PKXUROZZJFNDCR-RTBURBONSA-N 1 0 455.578 4.510 20 0 JJADRO Cn1c(C(=O)N2CC[N@H+](C)CC23CCCCC3)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001444771581 1066503248 /nfs/dbraw/zinc/50/32/48/1066503248.db2.gz WEZKJLYXHZZREO-NRFANRHFSA-N 1 0 458.647 4.578 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3Br)n2C[C@H](C)[N@H+](C)C2CC2)o1 ZINC001361181423 1066503369 /nfs/dbraw/zinc/50/33/69/1066503369.db2.gz VXUWYWSDWTUCAQ-HNNXBMFYSA-N 1 0 458.404 4.728 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H](c2ccsc2)[NH+](C)C)o1 ZINC001361181457 1066503436 /nfs/dbraw/zinc/50/34/36/1066503436.db2.gz XDUYUGLNJRBERO-HXUWFJFHSA-N 1 0 465.627 4.761 20 0 JJADRO COc1ccc(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c(Cl)c1OC ZINC001456080493 1066505678 /nfs/dbraw/zinc/50/56/78/1066505678.db2.gz YZTWTFANVDIRSH-UHFFFAOYSA-N 1 0 451.394 4.678 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC001361183148 1066505691 /nfs/dbraw/zinc/50/56/91/1066505691.db2.gz GQKYIXRCXSFIGP-WIYYLYMNSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001361184528 1066507483 /nfs/dbraw/zinc/50/74/83/1066507483.db2.gz MFRUCJMCLYQBQK-AZUAARDMSA-N 1 0 476.463 4.506 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1Br ZINC001361184578 1066508277 /nfs/dbraw/zinc/50/82/77/1066508277.db2.gz NQKVQENLEGWSNM-VQTJNVASSA-N 1 0 490.490 4.753 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC001456104362 1066510425 /nfs/dbraw/zinc/51/04/25/1066510425.db2.gz MRSZOBFFEDRUMI-KRWDZBQOSA-N 1 0 454.571 4.774 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001361190577 1066515733 /nfs/dbraw/zinc/51/57/33/1066515733.db2.gz LVMIWOYBSRTSIF-GOSISDBHSA-N 1 0 478.479 4.752 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CC2([NH+](C)C)CCCCC2)cc1Br ZINC001361190627 1066516079 /nfs/dbraw/zinc/51/60/79/1066516079.db2.gz NQNDXLZABVAHNJ-HXUWFJFHSA-N 1 0 490.490 4.896 20 0 JJADRO COc1ccc(-c2nc(C(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)cs2)cc1OC ZINC001444897717 1066516826 /nfs/dbraw/zinc/51/68/26/1066516826.db2.gz YATYESCTKGOQNF-SFHVURJKSA-N 1 0 451.592 4.564 20 0 JJADRO COc1ccc([C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)c2ccccc2Cl)c(OC)c1 ZINC001444903268 1066517589 /nfs/dbraw/zinc/51/75/89/1066517589.db2.gz PSCZMWJKIPYXMP-VWLOTQADSA-N 1 0 452.982 4.981 20 0 JJADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001361191615 1066518848 /nfs/dbraw/zinc/51/88/48/1066518848.db2.gz ADOPJVPIDPVSKD-RPWUZVMVSA-N 1 0 451.611 4.590 20 0 JJADRO CC(C)[C@@H](CCN(C)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001444935317 1066519501 /nfs/dbraw/zinc/51/95/01/1066519501.db2.gz MXHMDDDSSFMORI-XUZZJYLKSA-N 1 0 459.675 4.727 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)[C@@H]4CCCC[C@@H]43)n2CCOCC[NH+](C)C)cc1Br ZINC001361196189 1066523391 /nfs/dbraw/zinc/52/33/91/1066523391.db2.gz LIKAPJCXTWBFRR-VCOUNFBDSA-N 1 0 490.490 4.609 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N[C@@H]3C[N@@H+](C)CC3(C)C)cc12 ZINC001456156887 1066525113 /nfs/dbraw/zinc/52/51/13/1066525113.db2.gz GGRJMFWGLHMVMH-GOSISDBHSA-N 1 0 451.423 4.831 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC001361198013 1066526414 /nfs/dbraw/zinc/52/64/14/1066526414.db2.gz FNMJBLYTBMACEB-KNQAVFIVSA-N 1 0 498.697 4.588 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCCOCC(C)C)cc1Br ZINC001361198182 1066526876 /nfs/dbraw/zinc/52/68/76/1066526876.db2.gz LAFRHOLXPXODGJ-PZJWPPBQSA-N 1 0 490.490 4.752 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001545971360 1066529067 /nfs/dbraw/zinc/52/90/67/1066529067.db2.gz WGNXSGVPPDDJQF-ROUUACIJSA-N 1 0 484.998 4.546 20 0 JJADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)cc2)C1 ZINC001445040950 1066531947 /nfs/dbraw/zinc/53/19/47/1066531947.db2.gz AOHWQGNMQCTOGD-KNQAVFIVSA-N 1 0 459.631 4.771 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(c4ccccc4CO)CC3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001361202893 1066532883 /nfs/dbraw/zinc/53/28/83/1066532883.db2.gz UOPUAPLVSBKYAG-UHFFFAOYSA-N 1 0 465.642 4.842 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(CCC[NH+]4CCOCC4)CC3)n2CC(C)(C)C(C)C)o1 ZINC001361204300 1066535073 /nfs/dbraw/zinc/53/50/73/1066535073.db2.gz RUJWUQXQOXCJHJ-UHFFFAOYSA-N 1 0 457.663 4.858 20 0 JJADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001445057602 1066535384 /nfs/dbraw/zinc/53/53/84/1066535384.db2.gz SYKUTUDRXDJEGA-KXBFYZLASA-N 1 0 458.430 4.844 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2CCCC(C)(C)C)o1 ZINC001361205222 1066536277 /nfs/dbraw/zinc/53/62/77/1066536277.db2.gz GAQKZKUITBQUIQ-OYRHEFFESA-N 1 0 457.663 4.998 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(CO)(Cc4ccccc4)CC3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001361205918 1066537906 /nfs/dbraw/zinc/53/79/06/1066537906.db2.gz XLEDNEWPWQMOFI-UHFFFAOYSA-N 1 0 479.669 4.787 20 0 JJADRO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001445086281 1066538008 /nfs/dbraw/zinc/53/80/08/1066538008.db2.gz WYCSWQSKAJPDNR-SANMLTNESA-N 1 0 457.659 4.832 20 0 JJADRO CC(C)(C)OC(=O)N(CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)CC1CC1 ZINC001445098014 1066539621 /nfs/dbraw/zinc/53/96/21/1066539621.db2.gz ZPUCIXORYPMRTF-MHZLTWQESA-N 1 0 455.643 4.538 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC001361207201 1066539663 /nfs/dbraw/zinc/53/96/63/1066539663.db2.gz MWMVWWNPUAVBDI-SFHVURJKSA-N 1 0 491.558 4.870 20 0 JJADRO O=C(Cc1cccnc1Br)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001445163084 1066541333 /nfs/dbraw/zinc/54/13/33/1066541333.db2.gz PVAVNGMSLSCLRP-UHFFFAOYSA-N 1 0 452.396 4.595 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1Br ZINC001361209285 1066542195 /nfs/dbraw/zinc/54/21/95/1066542195.db2.gz SFPDLTVHYYOKLZ-NQIIRXRSSA-N 1 0 490.490 4.750 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001361209405 1066542762 /nfs/dbraw/zinc/54/27/62/1066542762.db2.gz WKAVXOUOEBTOPS-FCHUYYIVSA-N 1 0 455.578 4.540 20 0 JJADRO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001445172391 1066542754 /nfs/dbraw/zinc/54/27/54/1066542754.db2.gz IFHAUNOBUZAWBG-DEOSSOPVSA-N 1 0 456.508 4.948 20 0 JJADRO Cc1ccc(-c2nnc(N3CCc4ccc(Br)cc4C3)n2CC[N@@H+](C)C(C)C)o1 ZINC001361210151 1066543362 /nfs/dbraw/zinc/54/33/62/1066543362.db2.gz BSYQDSBQCFFBJB-UHFFFAOYSA-N 1 0 458.404 4.512 20 0 JJADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001445184545 1066544120 /nfs/dbraw/zinc/54/41/20/1066544120.db2.gz HHLDWKMHSQMWOZ-UHFFFAOYSA-N 1 0 459.744 4.872 20 0 JJADRO Cc1ccc(-c2nnc(N3CCc4cc(OCC(C)(C)C)ccc4C3)n2C[C@H](C)[NH+](C)C)o1 ZINC001361211098 1066544549 /nfs/dbraw/zinc/54/45/49/1066544549.db2.gz XJFYUIXYMVGRDI-SFHVURJKSA-N 1 0 451.615 4.784 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361211910 1066546034 /nfs/dbraw/zinc/54/60/34/1066546034.db2.gz CRBOLXXGMWWNAG-FQEVSTJZSA-N 1 0 488.677 4.518 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361211826 1066546069 /nfs/dbraw/zinc/54/60/69/1066546069.db2.gz BGVIPMYCRDFKHV-KCWPFWIISA-N 1 0 471.690 4.982 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC[NH+]2CCCCC2)cc1Br ZINC001361212013 1066546365 /nfs/dbraw/zinc/54/63/65/1066546365.db2.gz FOTMVJBLKINFQL-GOSISDBHSA-N 1 0 482.417 4.983 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC001445230238 1066548088 /nfs/dbraw/zinc/54/80/88/1066548088.db2.gz ZKKZFDNFFBOLIZ-CBNMVNINSA-N 1 0 450.023 4.819 20 0 JJADRO CC(C)(CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)NC(=O)OCc1ccccc1 ZINC001456259448 1066548484 /nfs/dbraw/zinc/54/84/84/1066548484.db2.gz XDGKPASXYVWNPQ-UHFFFAOYSA-N 1 0 451.611 4.774 20 0 JJADRO CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC001545973143 1066548920 /nfs/dbraw/zinc/54/89/20/1066548920.db2.gz SUTXTUKMQUJPCY-FQEVSTJZSA-N 1 0 460.548 4.509 20 0 JJADRO CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CC[NH+](C4CCC(C(C)C)CC4)CC3)[nH]n2)c1C ZINC001445267005 1066550173 /nfs/dbraw/zinc/55/01/73/1066550173.db2.gz DJJLSGWSLYOXBO-XTWGIRIWSA-N 1 0 454.663 4.834 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)o1 ZINC001361214663 1066551103 /nfs/dbraw/zinc/55/11/03/1066551103.db2.gz UQHWARAETBAMAN-UXHICEINSA-N 1 0 483.579 4.905 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC001445286111 1066553264 /nfs/dbraw/zinc/55/32/64/1066553264.db2.gz NFSFGSNCYLUSBQ-QHCPKHFHSA-N 1 0 456.428 4.715 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1Br ZINC001361218638 1066555167 /nfs/dbraw/zinc/55/51/67/1066555167.db2.gz PRTNGUHHISYAPD-IBGZPJMESA-N 1 0 460.445 4.981 20 0 JJADRO CC(C)c1nc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)nn1-c1c(Cl)cccc1Cl ZINC001445315961 1066556123 /nfs/dbraw/zinc/55/61/23/1066556123.db2.gz YNMDFZYMUMXTSZ-MRXNPFEDSA-N 1 0 450.414 4.501 20 0 JJADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCO1 ZINC001546081396 1066559066 /nfs/dbraw/zinc/55/90/66/1066559066.db2.gz OIRMPXCBOAGFGI-KSCXJQRSSA-N 1 0 496.700 4.663 20 0 JJADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC001546081397 1066559091 /nfs/dbraw/zinc/55/90/91/1066559091.db2.gz OIRMPXCBOAGFGI-MVCUUDKNSA-N 1 0 496.700 4.663 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccccc2OCC(C)C)o1 ZINC001361220866 1066559110 /nfs/dbraw/zinc/55/91/10/1066559110.db2.gz HJLAPGDASLZBEJ-UHFFFAOYSA-N 1 0 451.615 4.850 20 0 JJADRO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001456305869 1066560191 /nfs/dbraw/zinc/56/01/91/1066560191.db2.gz QDZJUPDZIVCBCA-QFIPXVFZSA-N 1 0 452.664 4.913 20 0 JJADRO Cc1ccc2nc(COc3ccc(C(=O)NCC[C@@H](C)[N@H+](C)Cc4ccccc4)cc3)cn2c1 ZINC001445356343 1066561638 /nfs/dbraw/zinc/56/16/38/1066561638.db2.gz HRJGKWHYVXZSDT-JOCHJYFZSA-N 1 0 456.590 4.862 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCCOc2ccc(F)cc2)o1 ZINC001361224447 1066563003 /nfs/dbraw/zinc/56/30/03/1066563003.db2.gz USJJUCSZFOEKGE-UHFFFAOYSA-N 1 0 455.578 4.623 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)o1 ZINC001361224475 1066563449 /nfs/dbraw/zinc/56/34/49/1066563449.db2.gz VPRYNFVLTKBJLV-IFMALSPDSA-N 1 0 457.663 4.854 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2CC(C)(C)C(C)C)o1 ZINC001361225863 1066564460 /nfs/dbraw/zinc/56/44/60/1066564460.db2.gz OWMPUDWYQWGIEY-NHCUHLMSSA-N 1 0 456.679 4.524 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCc2ccc(N(C)C)cc2)o1 ZINC001361225782 1066564540 /nfs/dbraw/zinc/56/45/40/1066564540.db2.gz MUMCCONSUOVKJG-UHFFFAOYSA-N 1 0 464.658 4.713 20 0 JJADRO C[NH+](C)[C@H](CC(=O)N1CC(C)(C)[C@@H]1c1nccn1COCC[Si](C)(C)C)c1ccccc1 ZINC001456359794 1066569893 /nfs/dbraw/zinc/56/98/93/1066569893.db2.gz NPPSNNKKOFDDND-GGAORHGYSA-N 1 0 456.707 4.798 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)Oc1ccccc1F ZINC001545975080 1066569926 /nfs/dbraw/zinc/56/99/26/1066569926.db2.gz KNADAVHMDWHHEV-NRFANRHFSA-N 1 0 468.621 4.827 20 0 JJADRO Cc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2CC(C)(C)C[NH+](C)C)cc1Br ZINC001361231216 1066571025 /nfs/dbraw/zinc/57/10/25/1066571025.db2.gz OIYWPVQQAOCRCM-INIZCTEOSA-N 1 0 466.493 4.546 20 0 JJADRO Cc1ccc(-c2nnc(N3CCSC[C@H]3C)n2CC(C)(C)C[NH+](C)C)cc1Br ZINC001361231217 1066571030 /nfs/dbraw/zinc/57/10/30/1066571030.db2.gz OIYWPVQQAOCRCM-MRXNPFEDSA-N 1 0 466.493 4.546 20 0 JJADRO COc1ccc(COC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001456362988 1066571198 /nfs/dbraw/zinc/57/11/98/1066571198.db2.gz CYEACSYZUHZOFA-NRFANRHFSA-N 1 0 459.411 4.794 20 0 JJADRO Cc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CC[N@H+]2CC=CCC2)cc1Br ZINC001361231785 1066571795 /nfs/dbraw/zinc/57/17/95/1066571795.db2.gz USZRPTMTAFCISZ-NRFANRHFSA-N 1 0 490.515 4.856 20 0 JJADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc3sc(Nc4ccccc4C)nc3s2)C1 ZINC001445462015 1066573700 /nfs/dbraw/zinc/57/37/00/1066573700.db2.gz OCHOUFULHCFBIR-QGZVFWFLSA-N 1 0 458.653 4.983 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001361235285 1066575426 /nfs/dbraw/zinc/57/54/26/1066575426.db2.gz UDHKWONCEBDVMK-ZYVVXELTSA-N 1 0 466.674 4.577 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001361235531 1066575818 /nfs/dbraw/zinc/57/58/18/1066575818.db2.gz WEBLKYAFTDLIQQ-RPWUZVMVSA-N 1 0 466.674 4.577 20 0 JJADRO O=C(/C=C/c1ccsc1C(F)(F)F)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001445510460 1066578856 /nfs/dbraw/zinc/57/88/56/1066578856.db2.gz HASNBKDWNWDTBB-BQYQJAHWSA-N 1 0 452.542 4.968 20 0 JJADRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001445516078 1066579892 /nfs/dbraw/zinc/57/98/92/1066579892.db2.gz MSJZKFXRTXOPCV-QFIPXVFZSA-N 1 0 452.639 4.939 20 0 JJADRO Cc1ccc(NC(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC001445524090 1066581548 /nfs/dbraw/zinc/58/15/48/1066581548.db2.gz MPADNQNNGQNDSS-UHFFFAOYSA-N 1 0 452.599 4.587 20 0 JJADRO CC1CCC([NH+]2CCN(C(=O)c3cc(Oc4cccc(Br)c4)ccn3)CC2)CC1 ZINC001456420620 1066582088 /nfs/dbraw/zinc/58/20/88/1066582088.db2.gz UFCSWDKGJSCMBQ-UHFFFAOYSA-N 1 0 458.400 4.973 20 0 JJADRO O=C(CCOc1cccc(Br)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001445528625 1066583146 /nfs/dbraw/zinc/58/31/46/1066583146.db2.gz WMHQNSIBHOIEDQ-NZQKXSOJSA-N 1 0 457.412 4.731 20 0 JJADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001445531668 1066583613 /nfs/dbraw/zinc/58/36/13/1066583613.db2.gz YLZRJYYFLKLQJH-GREBRCKQSA-N 1 0 457.412 4.730 20 0 JJADRO Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)C2)c1 ZINC001445566995 1066588265 /nfs/dbraw/zinc/58/82/65/1066588265.db2.gz KXYPDCRJCCXPHN-ILBGXUMGSA-N 1 0 453.671 4.659 20 0 JJADRO CCCc1nc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nn1-c1ccccc1Cl ZINC001445566965 1066588428 /nfs/dbraw/zinc/58/84/28/1066588428.db2.gz KWNWHYAZFYMOTB-IBGZPJMESA-N 1 0 458.050 4.990 20 0 JJADRO COc1ccc(-c2nc(C(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)cs2)cc1OC ZINC001445570636 1066589106 /nfs/dbraw/zinc/58/91/06/1066589106.db2.gz UIFBMCSWNCFFFD-GOSISDBHSA-N 1 0 457.640 4.944 20 0 JJADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3SCC(=O)NC3CCCCCCC3)CC[C@@H]21 ZINC001445576733 1066590108 /nfs/dbraw/zinc/59/01/08/1066590108.db2.gz WEQZSKDGOQNOGF-REWPJTCUSA-N 1 0 457.684 4.564 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCC2)o1 ZINC001361248053 1066590777 /nfs/dbraw/zinc/59/07/77/1066590777.db2.gz FYPZFIHOXNGRDH-IBGZPJMESA-N 1 0 455.578 4.969 20 0 JJADRO CCOc1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)ccc1OC ZINC001456452016 1066590946 /nfs/dbraw/zinc/59/09/46/1066590946.db2.gz WIJXFPHOQJNDQC-FGZHOGPDSA-N 1 0 450.604 4.687 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC001361248198 1066591306 /nfs/dbraw/zinc/59/13/06/1066591306.db2.gz IFSVVKLGGDPCAM-SFTDATJTSA-N 1 0 485.604 4.596 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCCC2)o1 ZINC001361248283 1066591915 /nfs/dbraw/zinc/59/19/15/1066591915.db2.gz JJPOBLLYUPYVCR-ICSRJNTNSA-N 1 0 455.578 4.827 20 0 JJADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@@H]3c3ccccc3Br)CC2)c1 ZINC001445596736 1066593313 /nfs/dbraw/zinc/59/33/13/1066593313.db2.gz BFATVECNEIKNOU-HSZRJFAPSA-N 1 0 456.428 4.633 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CC[NH+]2CCSCC2)s1 ZINC001361249887 1066594650 /nfs/dbraw/zinc/59/46/50/1066594650.db2.gz JAFJMXHEHNKFNY-UHFFFAOYSA-N 1 0 479.622 4.602 20 0 JJADRO Cc1cccc(C)c1OC[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001445603843 1066594797 /nfs/dbraw/zinc/59/47/97/1066594797.db2.gz FZAVFJDTJWNLKR-MHZLTWQESA-N 1 0 457.618 4.601 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)s1 ZINC001361251409 1066598710 /nfs/dbraw/zinc/59/87/10/1066598710.db2.gz QUJLMLUYJFJLQD-QFIPXVFZSA-N 1 0 450.587 4.788 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)s1 ZINC001361251408 1066598781 /nfs/dbraw/zinc/59/87/81/1066598781.db2.gz QUJLMLUYJFJLQD-JOCHJYFZSA-N 1 0 450.587 4.788 20 0 JJADRO COC1CC[NH+](C2(CNC(=O)CCc3ccccc3NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC001456499233 1066601029 /nfs/dbraw/zinc/60/10/29/1066601029.db2.gz IPOBGHJBZRMFCQ-UHFFFAOYSA-N 1 0 459.631 4.506 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCC[NH+](C)C)c2)s1 ZINC001361254296 1066602528 /nfs/dbraw/zinc/60/25/28/1066602528.db2.gz IOVPQZPFXJMGKN-QHCPKHFHSA-N 1 0 469.655 4.515 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cnccn3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC001361255311 1066603039 /nfs/dbraw/zinc/60/30/39/1066603039.db2.gz UTXCFKRFYZNAAR-LJQANCHMSA-N 1 0 461.639 4.652 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001456501690 1066603065 /nfs/dbraw/zinc/60/30/65/1066603065.db2.gz WIMRKJCGRYPBSL-NRFANRHFSA-N 1 0 459.512 4.542 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC2CC[NH+](CCC(C)C)CC2)s1 ZINC001361255598 1066603777 /nfs/dbraw/zinc/60/37/77/1066603777.db2.gz MCHFLNLJZRGEEW-JOCHJYFZSA-N 1 0 459.704 4.937 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC001361259323 1066610393 /nfs/dbraw/zinc/61/03/93/1066610393.db2.gz YLYGYVHICHVKDJ-NHCUHLMSSA-N 1 0 450.631 4.560 20 0 JJADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778289 1066615978 /nfs/dbraw/zinc/61/59/78/1066615978.db2.gz CLBRMPQIIOBSJH-PXAZEXFGSA-N 1 0 450.764 4.502 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001445784976 1066617474 /nfs/dbraw/zinc/61/74/74/1066617474.db2.gz GONWHNAKJPQGOI-XJKSGUPXSA-N 1 0 457.290 4.741 20 0 JJADRO CC[C@H](C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001456546111 1066621835 /nfs/dbraw/zinc/62/18/35/1066621835.db2.gz KNHGCOHXUCXDSG-VYKTZEHYSA-N 1 0 465.638 4.806 20 0 JJADRO C[C@@]1(NC(=O)c2ncc(Br)s2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456548322 1066622584 /nfs/dbraw/zinc/62/25/84/1066622584.db2.gz MGSPIGGFLBCNQW-PGRDOPGGSA-N 1 0 456.409 4.694 20 0 JJADRO Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c(F)c1 ZINC001361273366 1066629393 /nfs/dbraw/zinc/62/93/93/1066629393.db2.gz YPWVDWRPGNMOOM-UHFFFAOYSA-N 1 0 456.997 4.800 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(-c2cccn2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492598944 1066649114 /nfs/dbraw/zinc/64/91/14/1066649114.db2.gz RXDRDBWNTBJAFB-DEOSSOPVSA-N 1 0 464.658 4.618 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492599073 1066649871 /nfs/dbraw/zinc/64/98/71/1066649871.db2.gz UMCAAHDSMJCXEH-VWLOTQADSA-N 1 0 476.669 4.598 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001492600137 1066652516 /nfs/dbraw/zinc/65/25/16/1066652516.db2.gz ISVKIQGCQBZMJU-IDISGSTGSA-N 1 0 462.642 4.674 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(C(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001492600532 1066653773 /nfs/dbraw/zinc/65/37/73/1066653773.db2.gz NYWYNUHFAMZNME-UHFFFAOYSA-N 1 0 471.715 4.977 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492601496 1066655808 /nfs/dbraw/zinc/65/58/08/1066655808.db2.gz DIKDIRJJZVIGPW-CQOQZXRMSA-N 1 0 483.701 4.752 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001492602328 1066658428 /nfs/dbraw/zinc/65/84/28/1066658428.db2.gz QAWWKDUDZBROCH-RCSBWOJUSA-N 1 0 469.674 4.854 20 0 JJADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001446094350 1066658848 /nfs/dbraw/zinc/65/88/48/1066658848.db2.gz DRXUOPVUMRMJAW-IRXDYDNUSA-N 1 0 454.423 4.615 20 0 JJADRO CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)n2)c(F)c1 ZINC001446094879 1066658919 /nfs/dbraw/zinc/65/89/19/1066658919.db2.gz IKFBDPODZWBZCR-FQEVSTJZSA-N 1 0 452.555 4.726 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1(C)C ZINC001456652493 1066659244 /nfs/dbraw/zinc/65/92/44/1066659244.db2.gz ZNCMENCIUPXTIV-CXSMSNRLSA-N 1 0 477.649 4.710 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1(C)C ZINC001456652496 1066659296 /nfs/dbraw/zinc/65/92/96/1066659296.db2.gz ZNCMENCIUPXTIV-ZYQDXHPFSA-N 1 0 477.649 4.710 20 0 JJADRO Cc1cccnc1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001492605055 1066662083 /nfs/dbraw/zinc/66/20/83/1066662083.db2.gz OOQAMUIMVBEWCC-UHFFFAOYSA-N 1 0 489.487 4.831 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001492607578 1066666273 /nfs/dbraw/zinc/66/62/73/1066666273.db2.gz VFGGSUBBUCPZSJ-UHFFFAOYSA-N 1 0 476.669 4.849 20 0 JJADRO O=C(Cc1ccc(Br)c(Br)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC001446187089 1066670260 /nfs/dbraw/zinc/67/02/60/1066670260.db2.gz LUAGXSDBTRYRIG-UHFFFAOYSA-N 1 0 458.238 4.525 20 0 JJADRO CC1=CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001492609137 1066670473 /nfs/dbraw/zinc/67/04/73/1066670473.db2.gz NAVYEGZWANDLDB-AJTFRIOCSA-N 1 0 467.658 4.605 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC=C(C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC001492609668 1066671130 /nfs/dbraw/zinc/67/11/30/1066671130.db2.gz ZLVJWBWDZUGBHA-FQEVSTJZSA-N 1 0 488.474 4.673 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC=C(C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC001492609669 1066671246 /nfs/dbraw/zinc/67/12/46/1066671246.db2.gz ZLVJWBWDZUGBHA-HXUWFJFHSA-N 1 0 488.474 4.673 20 0 JJADRO CC1=CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001492609928 1066671922 /nfs/dbraw/zinc/67/19/22/1066671922.db2.gz BGRGYFMFGGSLAX-IBGZPJMESA-N 1 0 474.378 4.899 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001456710838 1066672174 /nfs/dbraw/zinc/67/21/74/1066672174.db2.gz HSCLVAIOMVQOGM-SPYBWZPUSA-N 1 0 458.430 4.843 20 0 JJADRO C[N@@H+]1CC[C@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@H]1c1ccc(F)cc1 ZINC001446191968 1066672541 /nfs/dbraw/zinc/67/25/41/1066672541.db2.gz LJUVNYMYYDBLQW-HRAATJIYSA-N 1 0 451.489 4.948 20 0 JJADRO CC[C@@H](Cn1c(C2CC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982716 1066675798 /nfs/dbraw/zinc/67/57/98/1066675798.db2.gz QEBWKFFRIGCEOC-REWPJTCUSA-N 1 0 482.673 4.560 20 0 JJADRO CC1=CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001492615479 1066681256 /nfs/dbraw/zinc/68/12/56/1066681256.db2.gz OGLDDIIXBGGYJV-UHFFFAOYSA-N 1 0 462.411 4.878 20 0 JJADRO CC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001492616022 1066683071 /nfs/dbraw/zinc/68/30/71/1066683071.db2.gz HVLLEELBOLUSTG-ROUUACIJSA-N 1 0 464.441 4.908 20 0 JJADRO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC001456769976 1066685365 /nfs/dbraw/zinc/68/53/65/1066685365.db2.gz IRYGEFCEVLTZJL-NLFFAJNJSA-N 1 0 453.608 4.674 20 0 JJADRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1OCc1cscn1 ZINC001456771726 1066686207 /nfs/dbraw/zinc/68/62/07/1066686207.db2.gz OHCQZPKORCJOAR-HTAPYJJXSA-N 1 0 457.621 4.605 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc([C@H](C)Oc4ccccc4F)n3CCC[N@@H+](C)C(C)C)C2)c1 ZINC001492620368 1066689884 /nfs/dbraw/zinc/68/98/84/1066689884.db2.gz DGTDRRVZRHRTQH-FCHUYYIVSA-N 1 0 483.636 4.634 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC001446321857 1066690273 /nfs/dbraw/zinc/69/02/73/1066690273.db2.gz IIRZRCRVNOZHOZ-QFIPXVFZSA-N 1 0 453.970 4.756 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCC[N@@H+](C)C(C)C)C2)c1 ZINC001492620629 1066690687 /nfs/dbraw/zinc/69/06/87/1066690687.db2.gz IRFLUNLQPCCEDR-QFIPXVFZSA-N 1 0 456.038 4.675 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCCC[C@H]3C)C2)c1 ZINC001492620678 1066690808 /nfs/dbraw/zinc/69/08/08/1066690808.db2.gz JQIVXMGXUSKHBA-DHIUTWEWSA-N 1 0 455.695 4.868 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cc1 ZINC001446351730 1066695043 /nfs/dbraw/zinc/69/50/43/1066695043.db2.gz LINMEZRUNJLXRL-HSZRJFAPSA-N 1 0 458.002 4.900 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc3scc(Br)c3c2)CC1 ZINC001446355861 1066695559 /nfs/dbraw/zinc/69/55/59/1066695559.db2.gz OOPZVJAWDOXAOV-UHFFFAOYSA-N 1 0 453.446 4.874 20 0 JJADRO Cc1cnn(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001492624509 1066696749 /nfs/dbraw/zinc/69/67/49/1066696749.db2.gz VSXDSTCKFMBBMF-XMMPIXPASA-N 1 0 493.700 4.797 20 0 JJADRO CC(C)(CO)[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)c1ccccc1 ZINC001446431600 1066705018 /nfs/dbraw/zinc/70/50/18/1066705018.db2.gz YUGHCSZKFNHBPP-QIBDARBMSA-N 1 0 470.657 4.995 20 0 JJADRO Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC001492630972 1066706664 /nfs/dbraw/zinc/70/66/64/1066706664.db2.gz CSYWGYPADYBZAP-OAQYLSRUSA-N 1 0 495.741 4.694 20 0 JJADRO Cc1cnc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)s1 ZINC001492633148 1066713440 /nfs/dbraw/zinc/71/34/40/1066713440.db2.gz VOAXJVVNPQUCHD-DUXKGJEZSA-N 1 0 474.719 4.732 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(-c4ccc(Cl)cc4F)n3C[C@H](C)[NH+](C)C)CC2)s1 ZINC001492633940 1066715603 /nfs/dbraw/zinc/71/56/03/1066715603.db2.gz VAYUAEMEEDYKLV-AWEZNQCLSA-N 1 0 463.026 4.837 20 0 JJADRO O=C(c1ccc(Br)cc1Br)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001446565027 1066721135 /nfs/dbraw/zinc/72/11/35/1066721135.db2.gz IJACSWOIVWCHJT-UHFFFAOYSA-N 1 0 458.238 4.940 20 0 JJADRO Cc1c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cnn1-c1cccc(Br)c1 ZINC001446571249 1066722373 /nfs/dbraw/zinc/72/23/73/1066722373.db2.gz XTXSPBOLKMMYLR-UHFFFAOYSA-N 1 0 459.432 4.671 20 0 JJADRO O=C([C@@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001446718016 1066734317 /nfs/dbraw/zinc/73/43/17/1066734317.db2.gz WOHZRYYUQSBFBX-VWLOTQADSA-N 1 0 457.014 4.811 20 0 JJADRO O=C(/C=C/c1cnc2ccccc2n1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456988903 1066737007 /nfs/dbraw/zinc/73/70/07/1066737007.db2.gz WCDLESKAXLFCAM-CFGKVWFZSA-N 1 0 454.496 4.556 20 0 JJADRO O=C(COc1ccc(F)cc1Cl)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456989742 1066737619 /nfs/dbraw/zinc/73/76/19/1066737619.db2.gz ZXPYACZMYKGIPC-KRWDZBQOSA-N 1 0 458.883 4.771 20 0 JJADRO COC(=O)[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)CC1CCCC1 ZINC001457014323 1066742326 /nfs/dbraw/zinc/74/23/26/1066742326.db2.gz GCQJNFFGMNBXGV-PIRIWWGTSA-N 1 0 462.634 4.562 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)C1 ZINC001446827113 1066745599 /nfs/dbraw/zinc/74/55/99/1066745599.db2.gz ZNXBFEPUIWKIAU-BJKOFHAPSA-N 1 0 477.649 4.748 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001492645774 1066747090 /nfs/dbraw/zinc/74/70/90/1066747090.db2.gz IRQAYSJMVMOBKM-SFHVURJKSA-N 1 0 460.047 4.573 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2OCC[NH+](C)C)c1 ZINC001492646394 1066749446 /nfs/dbraw/zinc/74/94/46/1066749446.db2.gz GGGGOWZSFDQXSC-QHCPKHFHSA-N 1 0 469.655 4.515 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001492647010 1066750458 /nfs/dbraw/zinc/75/04/58/1066750458.db2.gz CUCRWULEZNTQFG-NRFANRHFSA-N 1 0 453.587 4.910 20 0 JJADRO C[C@@H](Cc1cnc2ccccc2n1)C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001457038531 1066750645 /nfs/dbraw/zinc/75/06/45/1066750645.db2.gz NCCFDZTXBUBILC-QHCPKHFHSA-N 1 0 452.602 4.969 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001492647118 1066750888 /nfs/dbraw/zinc/75/08/88/1066750888.db2.gz XTADVQUHAMACLO-FCHUYYIVSA-N 1 0 457.619 4.968 20 0 JJADRO Cc1csc(CN(C)c2nnc(C3CCCC3)n2Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001492647151 1066751064 /nfs/dbraw/zinc/75/10/64/1066751064.db2.gz YJISHERKPXVQQN-UHFFFAOYSA-N 1 0 453.656 4.931 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001492647541 1066751994 /nfs/dbraw/zinc/75/19/94/1066751994.db2.gz OUSLZLJOLAHNEP-FQEVSTJZSA-N 1 0 452.672 4.782 20 0 JJADRO Cc1csc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC2)c1 ZINC001492648138 1066753536 /nfs/dbraw/zinc/75/35/36/1066753536.db2.gz KWYDNTFJXQUXLP-UHFFFAOYSA-N 1 0 453.656 4.966 20 0 JJADRO Cc1csc(CN(C)c2nnc(CCCc3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001492648327 1066753876 /nfs/dbraw/zinc/75/38/76/1066753876.db2.gz QWOZTDKNTSPHJO-VWLOTQADSA-N 1 0 469.724 4.897 20 0 JJADRO Cc1csc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001492648486 1066754503 /nfs/dbraw/zinc/75/45/03/1066754503.db2.gz XWFDEQNJTUIJST-MRXNPFEDSA-N 1 0 478.460 4.576 20 0 JJADRO Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001492648474 1066754580 /nfs/dbraw/zinc/75/45/80/1066754580.db2.gz XOQFTJLSKWTQEZ-NRFANRHFSA-N 1 0 494.690 4.579 20 0 JJADRO Cc1csc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC001492648851 1066755441 /nfs/dbraw/zinc/75/54/41/1066755441.db2.gz KEYBVTYCIMJFQX-UHFFFAOYSA-N 1 0 459.063 4.968 20 0 JJADRO CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545990776 1066757667 /nfs/dbraw/zinc/75/76/67/1066757667.db2.gz YFNOPCORUYCSGB-GMAHTHKFSA-N 1 0 487.664 4.727 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001457087708 1066758639 /nfs/dbraw/zinc/75/86/39/1066758639.db2.gz DVRCNPZVARDBBX-FDDCHVKYSA-N 1 0 454.039 4.957 20 0 JJADRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001457099134 1066761517 /nfs/dbraw/zinc/76/15/17/1066761517.db2.gz UCYDNPJSBPRTML-NHCUHLMSSA-N 1 0 457.665 4.814 20 0 JJADRO Cc1cscc1Cn1c(CC(C)(C)C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001492653749 1066762469 /nfs/dbraw/zinc/76/24/69/1066762469.db2.gz MGMMFTWSVAUNMW-UHFFFAOYSA-N 1 0 466.699 4.543 20 0 JJADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cc(Cl)cc(Cl)c3N)cc2)C[C@@H]1C ZINC001446987561 1066762360 /nfs/dbraw/zinc/76/23/60/1066762360.db2.gz YGJSCONIAREVKD-HOTGVXAUSA-N 1 0 450.410 4.515 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001457103181 1066762926 /nfs/dbraw/zinc/76/29/26/1066762926.db2.gz RSFMGWHJSWVZCR-UZLBHIALSA-N 1 0 454.368 4.745 20 0 JJADRO Cc1nc(C)c(CCn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492654740 1066764818 /nfs/dbraw/zinc/76/48/18/1066764818.db2.gz AQTUAOFXQNXCAZ-UHFFFAOYSA-N 1 0 459.063 4.835 20 0 JJADRO Cc1nc(C)c(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)s1 ZINC001492655323 1066766331 /nfs/dbraw/zinc/76/63/31/1066766331.db2.gz NUQSYHJLLKVDMS-UHFFFAOYSA-N 1 0 459.063 4.835 20 0 JJADRO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)o1)[NH+]1CCCC1 ZINC001545991778 1066766708 /nfs/dbraw/zinc/76/67/08/1066766708.db2.gz ABSSOPHGAUVFGM-INIZCTEOSA-N 1 0 452.441 4.733 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546087656 1066774121 /nfs/dbraw/zinc/77/41/21/1066774121.db2.gz QDRLLWZWOWCKEA-DEOSSOPVSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107081 1066774276 /nfs/dbraw/zinc/77/42/76/1066774276.db2.gz SAUVCBJFHGNTGU-JPYJTQIMSA-N 1 0 453.945 4.978 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2C[C@@H](C)C[NH+]2CCCC2)cs1 ZINC001492661474 1066780783 /nfs/dbraw/zinc/78/07/83/1066780783.db2.gz ISJHJADSVNTFRJ-DLBZAZTESA-N 1 0 474.625 4.841 20 0 JJADRO C[C@@](O)(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001447195017 1066781880 /nfs/dbraw/zinc/78/18/80/1066781880.db2.gz MNRORWPZJKQKFB-ZWEKWIFMSA-N 1 0 466.984 4.719 20 0 JJADRO Cc1nc([C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC[NH+](C(C)C)C(C)C)CCO2)no1 ZINC001492662992 1066783389 /nfs/dbraw/zinc/78/33/89/1066783389.db2.gz PJQYDHJLVGSUOG-QHCPKHFHSA-N 1 0 495.672 4.631 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001492664488 1066784953 /nfs/dbraw/zinc/78/49/53/1066784953.db2.gz LEVYFRDEJKTVJM-ZWKOTPCHSA-N 1 0 473.716 4.595 20 0 JJADRO COc1ccc(O[C@@H](C)CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001457195258 1066785025 /nfs/dbraw/zinc/78/50/25/1066785025.db2.gz IBGALZMTSAWAND-QLCOJLISSA-N 1 0 458.602 4.803 20 0 JJADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001457197331 1066786267 /nfs/dbraw/zinc/78/62/67/1066786267.db2.gz IMNTXAJLTGHDOM-SFHVURJKSA-N 1 0 451.574 4.537 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc4cnccc4c3)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001492665370 1066786837 /nfs/dbraw/zinc/78/68/37/1066786837.db2.gz GMYVXWGBUNHVAR-XMMPIXPASA-N 1 0 477.682 4.795 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@H](c2cccs2)[NH+](C)C)cs1 ZINC001492665914 1066788447 /nfs/dbraw/zinc/78/84/47/1066788447.db2.gz CGXOQXHFKWAMEJ-HXUWFJFHSA-N 1 0 488.633 4.913 20 0 JJADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1nn(-c2cc(C)cc(F)c2)c2c1CCC2 ZINC001457203868 1066788919 /nfs/dbraw/zinc/78/89/19/1066788919.db2.gz WZXZUUFTHQAALY-UHFFFAOYSA-N 1 0 454.512 4.545 20 0 JJADRO C[N@@H+]1CCCC[C@H]1C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447316173 1066790943 /nfs/dbraw/zinc/79/09/43/1066790943.db2.gz QGAFUMUZDKNJGR-WUFINQPMSA-N 1 0 458.602 4.812 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H](c2ccco2)[NH+](C)C)cs1 ZINC001492666566 1066792550 /nfs/dbraw/zinc/79/25/50/1066792550.db2.gz YWOFMSRWCMZAGR-QGZVFWFLSA-N 1 0 477.059 4.881 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001492667011 1066792961 /nfs/dbraw/zinc/79/29/61/1066792961.db2.gz QHXVQGLFOBIVMI-PMACEKPBSA-N 1 0 496.729 4.552 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCc3ccccc3F)n2C[C@H](c2cccs2)[NH+](C)C)cs1 ZINC001492668167 1066795419 /nfs/dbraw/zinc/79/54/19/1066795419.db2.gz AEKZAKOQRGRGJJ-OAQYLSRUSA-N 1 0 484.670 4.816 20 0 JJADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001545994759 1066795896 /nfs/dbraw/zinc/79/58/96/1066795896.db2.gz FONCBEWAKIQDCG-HXUWFJFHSA-N 1 0 476.710 4.625 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCC(F)F)n2C[C@H](c2ccccc2)[NH+]2CCCC2)cs1 ZINC001492668342 1066795872 /nfs/dbraw/zinc/79/58/72/1066795872.db2.gz HBOGXZGHKHCQII-HXUWFJFHSA-N 1 0 460.598 4.562 20 0 JJADRO CCCOc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(OCc2ccccc2)c1 ZINC001447354847 1066797453 /nfs/dbraw/zinc/79/74/53/1066797453.db2.gz HHRWBKQVJXBRJP-UKILVPOCSA-N 1 0 454.636 4.706 20 0 JJADRO CCCOc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c(OCc2ccccc2)c1 ZINC001447354845 1066797608 /nfs/dbraw/zinc/79/76/08/1066797608.db2.gz HHRWBKQVJXBRJP-ILBGXUMGSA-N 1 0 454.636 4.706 20 0 JJADRO CCN(C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001447361483 1066798811 /nfs/dbraw/zinc/79/88/11/1066798811.db2.gz RWGIWICHTRAQCZ-IXCJQBJRSA-N 1 0 458.602 4.812 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N(C)Cc1cc(Br)cs1)[NH+]1CCCC1 ZINC001545995016 1066800308 /nfs/dbraw/zinc/80/03/08/1066800308.db2.gz KVBYBLGJDWOVHX-KRWDZBQOSA-N 1 0 454.482 4.811 20 0 JJADRO Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492670868 1066800786 /nfs/dbraw/zinc/80/07/86/1066800786.db2.gz LYWYZOLQXNJNCH-PMACEKPBSA-N 1 0 482.698 4.548 20 0 JJADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1)[NH+]1CCCC1 ZINC001545995094 1066800710 /nfs/dbraw/zinc/80/07/10/1066800710.db2.gz MDBCFWTZLQTDAP-GJZUVCINSA-N 1 0 474.093 4.578 20 0 JJADRO O=C(Cc1cccc(OCCCOc2ccccc2)c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC001457278667 1066802810 /nfs/dbraw/zinc/80/28/10/1066802810.db2.gz PKZCVALTYQSGOT-UHFFFAOYSA-N 1 0 450.623 4.990 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001492671993 1066804001 /nfs/dbraw/zinc/80/40/01/1066804001.db2.gz KJLUKRLQEQQPFW-UGKGYDQZSA-N 1 0 470.662 4.948 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccccc3Br)n2CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC001546089723 1066807557 /nfs/dbraw/zinc/80/75/57/1066807557.db2.gz VDPCXEROVALTFG-DEOSSOPVSA-N 1 0 490.490 4.835 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCc2ccc(F)cc2C)cs1 ZINC001492675260 1066810308 /nfs/dbraw/zinc/81/03/08/1066810308.db2.gz RKZDKXLNPQMIRA-UHFFFAOYSA-N 1 0 484.689 4.881 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001492676040 1066812056 /nfs/dbraw/zinc/81/20/56/1066812056.db2.gz SFHSFIBFDSHAEU-QFIPXVFZSA-N 1 0 488.746 4.786 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCSCc2ccccc2F)cs1 ZINC001492676119 1066812142 /nfs/dbraw/zinc/81/21/42/1066812142.db2.gz VIBVWSHTTYADRS-UHFFFAOYSA-N 1 0 488.702 4.673 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)cs1 ZINC001492676468 1066813646 /nfs/dbraw/zinc/81/36/46/1066813646.db2.gz GKKXESXAOQVXOD-NRFANRHFSA-N 1 0 470.662 4.777 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001492677045 1066815445 /nfs/dbraw/zinc/81/54/45/1066815445.db2.gz URUSCSXTCACOLS-FUHWJXTLSA-N 1 0 470.609 4.533 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492677177 1066816088 /nfs/dbraw/zinc/81/60/88/1066816088.db2.gz YDTROWLYXKTVEC-WIYYLYMNSA-N 1 0 458.701 4.871 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)[NH+]1CCCC1 ZINC001545996951 1066817144 /nfs/dbraw/zinc/81/71/44/1066817144.db2.gz HJSFGOSSJVIQQD-IFMALSPDSA-N 1 0 477.600 4.530 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1)[NH+]1CCCC1 ZINC001545996954 1066817334 /nfs/dbraw/zinc/81/73/34/1066817334.db2.gz HJSFGOSSJVIQQD-UNMCSNQZSA-N 1 0 477.600 4.530 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCC[N@@H+](C)Cc2ccccc2)cs1 ZINC001492678930 1066819945 /nfs/dbraw/zinc/81/99/45/1066819945.db2.gz QTPOUTLSBOCYHC-XMMPIXPASA-N 1 0 496.725 4.940 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](c4nc(C)c(C)s4)C3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492679324 1066821168 /nfs/dbraw/zinc/82/11/68/1066821168.db2.gz ZIZLVSHCBYTPOI-IBGZPJMESA-N 1 0 487.743 4.679 20 0 JJADRO CC(C)([C@@H](NC(=O)c1ccc(C2N=NC(=S)O2)cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001447558476 1066822100 /nfs/dbraw/zinc/82/21/00/1066822100.db2.gz MWHVJLFNNBASMP-IBGZPJMESA-N 1 0 458.534 4.649 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545997988 1066826246 /nfs/dbraw/zinc/82/62/46/1066826246.db2.gz ZSYFBBNMMRBMNT-RBJSKKJNSA-N 1 0 467.702 4.955 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001492683719 1066826722 /nfs/dbraw/zinc/82/67/22/1066826722.db2.gz GUECGVLVQLVKHM-MIALQEHNSA-N 1 0 484.636 4.636 20 0 JJADRO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cs1 ZINC001492684053 1066827436 /nfs/dbraw/zinc/82/74/36/1066827436.db2.gz PXUACFBVKGPTAE-ROUUACIJSA-N 1 0 470.712 4.705 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001492684141 1066827901 /nfs/dbraw/zinc/82/79/01/1066827901.db2.gz RYMPHNPYLNONTH-SIKLNZKXSA-N 1 0 476.760 4.866 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC001492684076 1066828029 /nfs/dbraw/zinc/82/80/29/1066828029.db2.gz QPLRQUGDMGOHRU-XZOYJPPVSA-N 1 0 476.760 4.722 20 0 JJADRO C[C@@H](CCNC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)[NH+]1CCCCC1 ZINC001447619052 1066829696 /nfs/dbraw/zinc/82/96/96/1066829696.db2.gz KBGXSNFUIPTKHO-FQEVSTJZSA-N 1 0 456.631 4.550 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCO1 ZINC001546091470 1066839125 /nfs/dbraw/zinc/83/91/25/1066839125.db2.gz QJPBLZAQWKYVOW-IDISGSTGSA-N 1 0 462.642 4.783 20 0 JJADRO CCCc1c(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)cnn1-c1ccc(C)cc1 ZINC001447689239 1066842118 /nfs/dbraw/zinc/84/21/18/1066842118.db2.gz OOSSZBUOFQSJFV-UHFFFAOYSA-N 1 0 456.594 4.811 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@H]2C)s1 ZINC001492695687 1066843473 /nfs/dbraw/zinc/84/34/73/1066843473.db2.gz KZNCIGVTXRZMKU-OAHLLOKOSA-N 1 0 475.460 4.593 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C[NH+]2CCCC2)s1 ZINC001492696082 1066845469 /nfs/dbraw/zinc/84/54/69/1066845469.db2.gz GQFRORASGDZILZ-UHFFFAOYSA-N 1 0 492.491 4.559 20 0 JJADRO Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCC(C)CC2)s1 ZINC001492696319 1066846639 /nfs/dbraw/zinc/84/66/39/1066846639.db2.gz JRFORFICXCNGHY-GOSISDBHSA-N 1 0 472.634 4.690 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)s1 ZINC001492698420 1066851738 /nfs/dbraw/zinc/85/17/38/1066851738.db2.gz WTKDZEJZZCXUAN-QFIPXVFZSA-N 1 0 452.672 4.699 20 0 JJADRO CCCCOc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)cc1Cl ZINC001447754869 1066853605 /nfs/dbraw/zinc/85/36/05/1066853605.db2.gz ZRJCEVWLNPRIAA-ATIYNZHBSA-N 1 0 457.014 4.674 20 0 JJADRO Cc1ncc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492700919 1066857329 /nfs/dbraw/zinc/85/73/29/1066857329.db2.gz TZYYMQBHPFLQHM-UHFFFAOYSA-N 1 0 489.487 4.750 20 0 JJADRO Cc1ncc(Cn2c(CC(C)(C)C)nnc2N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC001492701319 1066857876 /nfs/dbraw/zinc/85/78/76/1066857876.db2.gz ROBMHHODJLWLKX-OAQYLSRUSA-N 1 0 452.672 4.781 20 0 JJADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1 ZINC001457552894 1066859358 /nfs/dbraw/zinc/85/93/58/1066859358.db2.gz ACMILXKHRZRAGP-NRFANRHFSA-N 1 0 452.517 4.951 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)[NH+](C)C ZINC001447818804 1066865515 /nfs/dbraw/zinc/86/55/15/1066865515.db2.gz OGLGNARQGIVRQY-ZBLYBZFDSA-N 1 0 453.590 4.723 20 0 JJADRO C[NH+](C)C1(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CCC1 ZINC001447867447 1066872172 /nfs/dbraw/zinc/87/21/72/1066872172.db2.gz PVISAKUYCVEDKN-UHFFFAOYSA-N 1 0 453.384 4.516 20 0 JJADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC001457608790 1066877262 /nfs/dbraw/zinc/87/72/62/1066877262.db2.gz GQKJCKBENJNOHB-FQEVSTJZSA-N 1 0 459.432 4.718 20 0 JJADRO C[NH+](C)CCc1ccccc1NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001447926772 1066877476 /nfs/dbraw/zinc/87/74/76/1066877476.db2.gz UBULIRVHQHQWTG-UHFFFAOYSA-N 1 0 458.628 4.614 20 0 JJADRO CC(=O)NC1CCC(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001457610843 1066877938 /nfs/dbraw/zinc/87/79/38/1066877938.db2.gz HLLSNUSQPTZGTC-AJTFCVKESA-N 1 0 456.458 4.603 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2c(cn1)OCCC2)[NH+](C)C ZINC001457611415 1066878566 /nfs/dbraw/zinc/87/85/66/1066878566.db2.gz JJADZQQGLRIXNW-OAQYLSRUSA-N 1 0 450.410 4.942 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001457615102 1066879782 /nfs/dbraw/zinc/87/97/82/1066879782.db2.gz XCXNFZLKSZUVOH-UHFFFAOYSA-N 1 0 450.530 4.937 20 0 JJADRO CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC001546001497 1066880483 /nfs/dbraw/zinc/88/04/83/1066880483.db2.gz ODDTXAYQCLEROF-QFIPXVFZSA-N 1 0 456.635 4.674 20 0 JJADRO Cc1ccc(CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)c(OC[C@@H]2CCOC2)c1 ZINC001457623621 1066884447 /nfs/dbraw/zinc/88/44/47/1066884447.db2.gz KTWPMLZZGDOVSO-RUZDIDTESA-N 1 0 458.602 4.972 20 0 JJADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001457630609 1066886045 /nfs/dbraw/zinc/88/60/45/1066886045.db2.gz QNUCTQPGAQNHKD-SFTDATJTSA-N 1 0 455.357 4.780 20 0 JJADRO CCn1cc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c(=O)c2cc(Cl)ccc21 ZINC001457687241 1066897940 /nfs/dbraw/zinc/89/79/40/1066897940.db2.gz HGWQGRSBOQPRJO-UHFFFAOYSA-N 1 0 453.970 4.792 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(CCc4ccccc4)n3CC[NH+](C(C)C)C(C)C)C2)n1 ZINC001492731207 1066901936 /nfs/dbraw/zinc/90/19/36/1066901936.db2.gz NVNQNPXPBUFZSH-SANMLTNESA-N 1 0 477.701 4.837 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4csc(C)n4)n3CCC[NH+](C(C)C)C(C)C)C2)n1 ZINC001492731423 1066902415 /nfs/dbraw/zinc/90/24/15/1066902415.db2.gz SYYQHGJRULGWOV-XMMPIXPASA-N 1 0 498.745 4.798 20 0 JJADRO COc1cc(/C=C(\C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c2ccccc2)ccc1O ZINC001448127607 1066903259 /nfs/dbraw/zinc/90/32/59/1066903259.db2.gz UYWUFWORCOJART-ARDUGYFRSA-N 1 0 456.586 4.968 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492732423 1066905235 /nfs/dbraw/zinc/90/52/35/1066905235.db2.gz OODIPPBAWGYRKJ-GMAHTHKFSA-N 1 0 479.673 4.697 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492733782 1066907564 /nfs/dbraw/zinc/90/75/64/1066907564.db2.gz SLJORXCGVQHZQG-SXWKCWPCSA-N 1 0 455.695 4.665 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492735673 1066910410 /nfs/dbraw/zinc/91/04/10/1066910410.db2.gz FMVXRHQWBLWKHU-OALUTQOASA-N 1 0 499.654 4.811 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CC=CCC3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001492737972 1066913188 /nfs/dbraw/zinc/91/31/88/1066913188.db2.gz JMNPASPMBZEHGB-XMMPIXPASA-N 1 0 467.706 4.690 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)CC3CCCC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492737859 1066913293 /nfs/dbraw/zinc/91/32/93/1066913293.db2.gz GDDKRRHGGYAVQX-OYRHEFFESA-N 1 0 455.695 4.524 20 0 JJADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 ZINC001457760382 1066913606 /nfs/dbraw/zinc/91/36/06/1066913606.db2.gz FUSQHXKKCVLYDG-QFIPXVFZSA-N 1 0 455.521 4.719 20 0 JJADRO C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC001448295985 1066916474 /nfs/dbraw/zinc/91/64/74/1066916474.db2.gz MZHYRKOJOVXRJM-WIYYLYMNSA-N 1 0 450.023 4.725 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC001492744104 1066919338 /nfs/dbraw/zinc/91/93/38/1066919338.db2.gz GXSUDCINRRUMAY-OAQYLSRUSA-N 1 0 477.701 4.901 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001492744325 1066919639 /nfs/dbraw/zinc/91/96/39/1066919639.db2.gz MFXWRRSLUYNNBJ-HSZRJFAPSA-N 1 0 463.674 4.533 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492744268 1066919871 /nfs/dbraw/zinc/91/98/71/1066919871.db2.gz LDSNDEIIZVUYPM-BHIFYINESA-N 1 0 469.722 4.770 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001492744994 1066920531 /nfs/dbraw/zinc/92/05/31/1066920531.db2.gz DOCVTVJEGIQXLF-QFIPXVFZSA-N 1 0 489.590 4.611 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2CCC[N@H+](C)Cc2ccccc2)n1 ZINC001492744890 1066920548 /nfs/dbraw/zinc/92/05/48/1066920548.db2.gz YWCNNACHKFOIID-UHFFFAOYSA-N 1 0 463.674 4.534 20 0 JJADRO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC001448375459 1066920720 /nfs/dbraw/zinc/92/07/20/1066920720.db2.gz SLSQWTBENRERIM-UHFFFAOYSA-N 1 0 453.414 4.528 20 0 JJADRO O=C(Nc1cc(O)c(Br)cc1Br)c1ccc(C[NH+]2CCCC2)cc1 ZINC001457789552 1066921416 /nfs/dbraw/zinc/92/14/16/1066921416.db2.gz UORASJYRTRGFPY-UHFFFAOYSA-N 1 0 454.162 4.765 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CCSCC(C)C)n1 ZINC001492746548 1066922191 /nfs/dbraw/zinc/92/21/91/1066922191.db2.gz WCEYCDBTHFEPEA-UHFFFAOYSA-N 1 0 487.762 4.621 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001448399287 1066923152 /nfs/dbraw/zinc/92/31/52/1066923152.db2.gz IDJUFAWJXAXXPY-RUZDIDTESA-N 1 0 453.030 4.862 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492748879 1066923396 /nfs/dbraw/zinc/92/33/96/1066923396.db2.gz QASAOGJOTVQRRD-DNQXCXABSA-N 1 0 455.695 4.523 20 0 JJADRO CC(C)[C@@H](NC(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437199 1066927052 /nfs/dbraw/zinc/92/70/52/1066927052.db2.gz JUCGNRLTJRFRDB-XZOQPEGZSA-N 1 0 457.590 4.664 20 0 JJADRO C[NH2+]C1(CNC(=O)c2cc(/C=C\c3ccc(C)o3)nc3ccc(Br)cc32)CCC1 ZINC001457818010 1066927422 /nfs/dbraw/zinc/92/74/22/1066927422.db2.gz IFEREZMQVJAPLU-VURMDHGXSA-N 1 0 454.368 4.941 20 0 JJADRO C[C@@H](C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001448461471 1066930114 /nfs/dbraw/zinc/93/01/14/1066930114.db2.gz WHNJCKPUKXCRQH-KRWDZBQOSA-N 1 0 450.476 4.819 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(-c4ccc(C)o4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001492759030 1066930442 /nfs/dbraw/zinc/93/04/42/1066930442.db2.gz UDBKUDSTMKXZRA-QHCPKHFHSA-N 1 0 467.662 4.553 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(-c4ccccc4C)n3CCC[N@@H+](C)C(C)C)CC2)n1 ZINC001492759329 1066930931 /nfs/dbraw/zinc/93/09/31/1066930931.db2.gz ZAHFLFNVEOXMBH-UHFFFAOYSA-N 1 0 463.674 4.714 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001546095043 1066940950 /nfs/dbraw/zinc/94/09/50/1066940950.db2.gz FDZIUFCQPQJCLR-CUNXSJBXSA-N 1 0 453.675 4.695 20 0 JJADRO Cc1nc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)sc1Cc1cccc(Cl)c1F ZINC001448616093 1066942497 /nfs/dbraw/zinc/94/24/97/1066942497.db2.gz OIIHWEZIBPKKCU-MRXNPFEDSA-N 1 0 454.036 4.991 20 0 JJADRO Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492775506 1066946069 /nfs/dbraw/zinc/94/60/69/1066946069.db2.gz BHGLLALXVZPDTR-JXFKEZNVSA-N 1 0 452.416 4.618 20 0 JJADRO Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001492775658 1066946201 /nfs/dbraw/zinc/94/62/01/1066946201.db2.gz FKVCNTYNNZNMOJ-IBGZPJMESA-N 1 0 452.416 4.761 20 0 JJADRO CC[C@@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001546008420 1066946247 /nfs/dbraw/zinc/94/62/47/1066946247.db2.gz QLUOJXPUFBNKQE-XJUOHMSHSA-N 1 0 490.092 4.740 20 0 JJADRO Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001492777458 1066947000 /nfs/dbraw/zinc/94/70/00/1066947000.db2.gz WWGASMGKVJLAES-FQEVSTJZSA-N 1 0 474.440 4.501 20 0 JJADRO CCn1cc(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc(Cl)ccc21 ZINC001457960378 1066948866 /nfs/dbraw/zinc/94/88/66/1066948866.db2.gz OTBSLSSJRIOTEQ-UHFFFAOYSA-N 1 0 451.998 4.707 20 0 JJADRO Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001492786788 1066949480 /nfs/dbraw/zinc/94/94/80/1066949480.db2.gz LNTNPGSSMYYYOC-UHFFFAOYSA-N 1 0 464.079 4.507 20 0 JJADRO CC[C@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001546095550 1066950600 /nfs/dbraw/zinc/95/06/00/1066950600.db2.gz OVWFSEVGMBZDPY-WIOPSUGQSA-N 1 0 453.656 4.547 20 0 JJADRO Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001492798231 1066951433 /nfs/dbraw/zinc/95/14/33/1066951433.db2.gz BIINCSCDHZXIRZ-HXUWFJFHSA-N 1 0 484.689 4.605 20 0 JJADRO Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492799567 1066953039 /nfs/dbraw/zinc/95/30/39/1066953039.db2.gz IDHXCURUXWMFTN-YDIMBITNSA-N 1 0 460.066 4.558 20 0 JJADRO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001492804962 1066953900 /nfs/dbraw/zinc/95/39/00/1066953900.db2.gz VHKRLIRZJNKIFZ-GOSISDBHSA-N 1 0 480.579 4.560 20 0 JJADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2OC(F)F)[C@H](C)CN1Cc1ccccc1 ZINC001458000106 1066955262 /nfs/dbraw/zinc/95/52/62/1066955262.db2.gz LNVGJCHQWXVXQX-HUUCEWRRSA-N 1 0 453.327 4.786 20 0 JJADRO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001492830154 1066955499 /nfs/dbraw/zinc/95/54/99/1066955499.db2.gz GBADOBLOGRLVEN-IBGZPJMESA-N 1 0 468.646 4.761 20 0 JJADRO C[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001458002116 1066955760 /nfs/dbraw/zinc/95/57/60/1066955760.db2.gz WXUWBGLPMAHXOI-TUACAJSNSA-N 1 0 462.615 4.602 20 0 JJADRO Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492845208 1066957248 /nfs/dbraw/zinc/95/72/48/1066957248.db2.gz YBAFRGLYFJEMEC-NVXWUHKLSA-N 1 0 456.582 4.568 20 0 JJADRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)NCC[N@H+]1CC=CCC1 ZINC001448783411 1066957537 /nfs/dbraw/zinc/95/75/37/1066957537.db2.gz ILKXMEMUUXVSGE-GIWBLDEGSA-N 1 0 458.668 4.774 20 0 JJADRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)NCC[N@H+]1CC=CCC1 ZINC001448783408 1066957659 /nfs/dbraw/zinc/95/76/59/1066957659.db2.gz ILKXMEMUUXVSGE-FUPPJEDESA-N 1 0 458.668 4.774 20 0 JJADRO CCc1c(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)cnn1-c1ccccc1OC ZINC001458035604 1066959140 /nfs/dbraw/zinc/95/91/40/1066959140.db2.gz OMDGKVDULFVQOI-UHFFFAOYSA-N 1 0 454.574 4.552 20 0 JJADRO Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001492900726 1066959956 /nfs/dbraw/zinc/95/99/56/1066959956.db2.gz AIRPFUKGAXMKTA-UHFFFAOYSA-N 1 0 464.580 4.588 20 0 JJADRO Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492946263 1066961218 /nfs/dbraw/zinc/96/12/18/1066961218.db2.gz ZVOITWVWPHSADU-OAQYLSRUSA-N 1 0 454.446 4.980 20 0 JJADRO Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492946259 1066961399 /nfs/dbraw/zinc/96/13/99/1066961399.db2.gz ZVOITWVWPHSADU-NRFANRHFSA-N 1 0 454.446 4.980 20 0 JJADRO O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC001545697212 1066963071 /nfs/dbraw/zinc/96/30/71/1066963071.db2.gz FKMKWYURTAFFLI-DEOSSOPVSA-N 1 0 459.565 4.649 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448848600 1066963901 /nfs/dbraw/zinc/96/39/01/1066963901.db2.gz SPHXNMFMLIDPRA-WAABAYLZSA-N 1 0 469.670 4.829 20 0 JJADRO CO[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001458059861 1066964388 /nfs/dbraw/zinc/96/43/88/1066964388.db2.gz QCYHSWNYZHFLBN-MDYRTPRTSA-N 1 0 451.430 4.615 20 0 JJADRO CC[C@H](C)NC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001545705553 1066966895 /nfs/dbraw/zinc/96/68/95/1066966895.db2.gz BXKYAAYRVYHCHK-QFIPXVFZSA-N 1 0 498.741 4.638 20 0 JJADRO CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001546010497 1066969688 /nfs/dbraw/zinc/96/96/88/1066969688.db2.gz MUBAWMUSFAOVTE-NRFANRHFSA-N 1 0 461.601 4.830 20 0 JJADRO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1Sc1ncnc2ccc(F)cc21)C(C)C ZINC001458089078 1066971456 /nfs/dbraw/zinc/97/14/56/1066971456.db2.gz JQWRNYIYKUZROT-UHFFFAOYSA-N 1 0 451.571 4.749 20 0 JJADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001458093038 1066972746 /nfs/dbraw/zinc/97/27/46/1066972746.db2.gz ILZSSWQLVITOCG-IBGZPJMESA-N 1 0 459.928 4.726 20 0 JJADRO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC001545719472 1066973074 /nfs/dbraw/zinc/97/30/74/1066973074.db2.gz HKKAXZQKRNGAMF-NRUKRLKBSA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001545719643 1066973570 /nfs/dbraw/zinc/97/35/70/1066973570.db2.gz KDILCDCSPCMSIT-CQOQZXRMSA-N 1 0 496.744 4.927 20 0 JJADRO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545719817 1066973928 /nfs/dbraw/zinc/97/39/28/1066973928.db2.gz MVIZUSARJWUZTF-LPDNJITPSA-N 1 0 494.728 4.968 20 0 JJADRO COC(C)(C)c1nc(C)c(C(=O)Nc2c(C)cnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001458096323 1066974137 /nfs/dbraw/zinc/97/41/37/1066974137.db2.gz YIXGQFHRELDZKG-IBGZPJMESA-N 1 0 453.612 4.537 20 0 JJADRO CC[C@@H](c1nnc(N(C)[C@@H]2CCSC2)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545720475 1066974836 /nfs/dbraw/zinc/97/48/36/1066974836.db2.gz XQHAPYFMUVJLFI-NHCUHLMSSA-N 1 0 459.729 4.589 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2c(C)noc2C)n1C[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545721544 1066975721 /nfs/dbraw/zinc/97/57/21/1066975721.db2.gz BTRCLACRDWKHKQ-XZOQPEGZSA-N 1 0 450.631 4.936 20 0 JJADRO C[C@H]1C[NH+](Cc2ccc(CNc3ncnc4cc(F)c(Br)cc43)cc2)C[C@H](C)O1 ZINC001458102420 1066976272 /nfs/dbraw/zinc/97/62/72/1066976272.db2.gz XEWSXWSGRQLTLJ-GJZGRUSLSA-N 1 0 459.363 4.753 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545721746 1066976395 /nfs/dbraw/zinc/97/63/95/1066976395.db2.gz GGWGXLUSPAQIGG-CVDCTZTESA-N 1 0 453.034 4.989 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2ccoc2C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545722223 1066977582 /nfs/dbraw/zinc/97/75/82/1066977582.db2.gz QQPMWLZBFTURME-LOSJGSFVSA-N 1 0 465.642 4.715 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545722654 1066978721 /nfs/dbraw/zinc/97/87/21/1066978721.db2.gz YKGQZWAWDHHDSI-HYBUGGRVSA-N 1 0 463.674 4.539 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545722655 1066978745 /nfs/dbraw/zinc/97/87/45/1066978745.db2.gz YKGQZWAWDHHDSI-RDPSFJRHSA-N 1 0 463.674 4.539 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545722653 1066978815 /nfs/dbraw/zinc/97/88/15/1066978815.db2.gz YKGQZWAWDHHDSI-GBXCKJPGSA-N 1 0 463.674 4.539 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2cnn(C)c2C)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545722694 1066978869 /nfs/dbraw/zinc/97/88/69/1066978869.db2.gz YXWNHUDPGVCYKE-XMMPIXPASA-N 1 0 463.674 4.620 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545723519 1066979240 /nfs/dbraw/zinc/97/92/40/1066979240.db2.gz ARFPXVKAPHQQGR-CAOCKLPOSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@H](c1nnc(N(C)CC2CCCCC2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001545723718 1066979444 /nfs/dbraw/zinc/97/94/44/1066979444.db2.gz DPLHBDMTCQJDEX-VWLOTQADSA-N 1 0 453.675 4.683 20 0 JJADRO CC1CC[NH+](Cc2ccccc2CNC(=O)Cn2c3ccccc3nc2SC(F)F)CC1 ZINC001449049647 1066979970 /nfs/dbraw/zinc/97/99/70/1066979970.db2.gz IKEFHJTTZFNCPO-UHFFFAOYSA-N 1 0 458.578 4.899 20 0 JJADRO C[NH+](C)C[C@@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(C(C)(C)C)cc1)CC2 ZINC001449062391 1066980693 /nfs/dbraw/zinc/98/06/93/1066980693.db2.gz OINATOMVCCQRLW-PTMWEUFISA-N 1 0 457.618 4.671 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2ccsc2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001545724659 1066981149 /nfs/dbraw/zinc/98/11/49/1066981149.db2.gz VEJQKIUFKGJKPM-QPPBQGQZSA-N 1 0 466.699 4.544 20 0 JJADRO CC[C@H](c1nnc(N(CC)C[C@@H]2CCCO2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545728072 1066985101 /nfs/dbraw/zinc/98/51/01/1066985101.db2.gz FJJGPPDCRQACIJ-ZEQRLZLVSA-N 1 0 453.675 4.947 20 0 JJADRO Cc1ccc(OCc2nc(CC(=O)NC[C@@H](C[NH+](C)C)c3ccc(Cl)cc3)cs2)cc1 ZINC001449156540 1066985967 /nfs/dbraw/zinc/98/59/67/1066985967.db2.gz HEMMEWOAMARGND-IBGZPJMESA-N 1 0 458.027 4.688 20 0 JJADRO C[NH+](C)C[C@@H](CNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc(Cl)cc1 ZINC001449160610 1066986237 /nfs/dbraw/zinc/98/62/37/1066986237.db2.gz KZASRQLMTAOJDO-OAHLLOKOSA-N 1 0 451.785 4.908 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)s1 ZINC001449178105 1066987931 /nfs/dbraw/zinc/98/79/31/1066987931.db2.gz SGQALRKFHNIOIF-UGKGYDQZSA-N 1 0 457.640 4.603 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CSCc3coc(-c4ccccc4)n3)C2)s1 ZINC001449179383 1066988000 /nfs/dbraw/zinc/98/80/00/1066988000.db2.gz WMTUNERECHIKTI-IBGZPJMESA-N 1 0 455.649 4.925 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546012142 1066989985 /nfs/dbraw/zinc/98/99/85/1066989985.db2.gz CFSIEFCVRZLELH-JTHBVZDNSA-N 1 0 473.637 4.655 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001545731885 1066992057 /nfs/dbraw/zinc/99/20/57/1066992057.db2.gz URGVKZUWPCEHNQ-COWNTTACSA-N 1 0 453.675 4.802 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCCC1 ZINC001546012376 1066992694 /nfs/dbraw/zinc/99/26/94/1066992694.db2.gz HMEJXDLBUIEEJR-QFIPXVFZSA-N 1 0 469.033 4.725 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545731990 1066992781 /nfs/dbraw/zinc/99/27/81/1066992781.db2.gz VZEOAWDKIIQYQH-GMKZXUHWSA-N 1 0 453.675 4.682 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1)c1ccccc1 ZINC001545732139 1066993091 /nfs/dbraw/zinc/99/30/91/1066993091.db2.gz YFJUPOYXSCBCFB-MZYLBHOOSA-N 1 0 496.700 4.654 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732042 1066993193 /nfs/dbraw/zinc/99/31/93/1066993193.db2.gz WQFHMWPQQPNIFT-VVSUKSJXSA-N 1 0 492.634 4.623 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC001546097660 1066994791 /nfs/dbraw/zinc/99/47/91/1066994791.db2.gz NRNUXFQLCXWAEG-XTBZXYEFSA-N 1 0 467.702 4.969 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCCC1 ZINC001546012774 1066994955 /nfs/dbraw/zinc/99/49/55/1066994955.db2.gz OBZMCAOWZUIGKI-ZWKOTPCHSA-N 1 0 484.497 4.980 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3csc(Nc4cc(F)cc(F)c4)n3)cc2)CC1 ZINC001449282805 1066995361 /nfs/dbraw/zinc/99/53/61/1066995361.db2.gz DWJYSGIFWWUODV-UHFFFAOYSA-N 1 0 458.534 4.568 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545733795 1066995983 /nfs/dbraw/zinc/99/59/83/1066995983.db2.gz IEWBASRCDISQCA-DNQXCXABSA-N 1 0 453.675 4.538 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545734396 1066997225 /nfs/dbraw/zinc/99/72/25/1066997225.db2.gz RTWGCYRGQORERB-GHTZIAJQSA-N 1 0 477.575 4.652 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546097765 1066997568 /nfs/dbraw/zinc/99/75/68/1066997568.db2.gz POKLHFPQPKODDU-CTWZREHQSA-N 1 0 497.728 4.834 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(=O)OC)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734574 1066997933 /nfs/dbraw/zinc/99/79/33/1066997933.db2.gz VZEHZCCHLRDYQC-FBLLAGFSSA-N 1 0 481.685 4.577 20 0 JJADRO CC[C@@H](c1nnc(N2CC=C(COC)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734620 1066997949 /nfs/dbraw/zinc/99/79/49/1066997949.db2.gz WKJHSVAOKXPXBB-MVERNJQCSA-N 1 0 465.686 4.971 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCCC1)c1ccccc1 ZINC001545736649 1067000567 /nfs/dbraw/zinc/00/05/67/1067000567.db2.gz TXTCCDNSOFQSHC-QHCPKHFHSA-N 1 0 496.700 4.799 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](CC(C)C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545738125 1067002136 /nfs/dbraw/zinc/00/21/36/1067002136.db2.gz CFLQXHDIQOBTIJ-UKILVPOCSA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@](C)(O)C(C)C)c1ccccc1 ZINC001545738157 1067002192 /nfs/dbraw/zinc/00/21/92/1067002192.db2.gz CTFNBIGSTFSBPJ-LLGBQNBKSA-N 1 0 453.675 4.539 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@](C)(O)C(C)C)c1ccccc1 ZINC001545738227 1067002214 /nfs/dbraw/zinc/00/22/14/1067002214.db2.gz DPOIIEBQTMVRJU-JLCBQHFYSA-N 1 0 497.728 4.553 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@](C)(O)C(C)C)c1ccccc1 ZINC001545738228 1067002286 /nfs/dbraw/zinc/00/22/86/1067002286.db2.gz DPOIIEBQTMVRJU-XZQSQWLPSA-N 1 0 497.728 4.553 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545738700 1067003266 /nfs/dbraw/zinc/00/32/66/1067003266.db2.gz NESIUEBOJWGYQE-JWQCQUIFSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@H](c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545738609 1067003292 /nfs/dbraw/zinc/00/32/92/1067003292.db2.gz KYABTSFMVWUINI-RPWUZVMVSA-N 1 0 453.675 4.661 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001458214170 1067004828 /nfs/dbraw/zinc/00/48/28/1067004828.db2.gz PCLUKTGOJONCOW-NEWJYFPISA-N 1 0 455.643 4.501 20 0 JJADRO CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001449414338 1067008675 /nfs/dbraw/zinc/00/86/75/1067008675.db2.gz PNZCLSLIDCYMPR-OAQYLSRUSA-N 1 0 457.640 4.741 20 0 JJADRO CC[C@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545743064 1067009686 /nfs/dbraw/zinc/00/96/86/1067009686.db2.gz CWBKBAIIVNPACC-RTWAWAEBSA-N 1 0 479.591 4.588 20 0 JJADRO CC[C@H](Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC001546014710 1067011266 /nfs/dbraw/zinc/01/12/66/1067011266.db2.gz MTHKVKOASMUFKY-YPAWHYETSA-N 1 0 455.647 4.755 20 0 JJADRO CC[C@H](c1nnc(N2CCC(Oc3ncccc3F)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545744243 1067011369 /nfs/dbraw/zinc/01/13/69/1067011369.db2.gz YQHJBTVFHBDSDY-QHCPKHFHSA-N 1 0 494.659 4.990 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1C[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545745566 1067012007 /nfs/dbraw/zinc/01/20/07/1067012007.db2.gz CPHAGGPPNCCYQC-DSNGMDLFSA-N 1 0 477.701 4.914 20 0 JJADRO CC[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001546015231 1067013805 /nfs/dbraw/zinc/01/38/05/1067013805.db2.gz WOJSDBFTBRYZSH-FCHUYYIVSA-N 1 0 457.688 4.759 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001449575079 1067015577 /nfs/dbraw/zinc/01/55/77/1067015577.db2.gz RQYMGQOGOMIMLW-UHFFFAOYSA-N 1 0 457.659 4.952 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545748487 1067017125 /nfs/dbraw/zinc/01/71/25/1067017125.db2.gz BDQCBYBJPITTPC-SDHSZQHLSA-N 1 0 494.728 4.681 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1)c1ccccc1 ZINC001545748496 1067017561 /nfs/dbraw/zinc/01/75/61/1067017561.db2.gz BFFTUXXLNICPAR-ZEQRLZLVSA-N 1 0 451.659 4.866 20 0 JJADRO CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001458274791 1067019188 /nfs/dbraw/zinc/01/91/88/1067019188.db2.gz HIWXLHXPHTYXGX-DGRZLQMBSA-N 1 0 452.595 4.995 20 0 JJADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001449660071 1067019417 /nfs/dbraw/zinc/01/94/17/1067019417.db2.gz LTIVUKOOIHCMEK-UHFFFAOYSA-N 1 0 452.382 4.531 20 0 JJADRO C[C@@H]1CN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC001449698519 1067021729 /nfs/dbraw/zinc/02/17/29/1067021729.db2.gz NLUBDQFSXZIKEJ-JEYPMZLKSA-N 1 0 455.643 4.537 20 0 JJADRO CC[C@@H](Cn1c(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546016371 1067022558 /nfs/dbraw/zinc/02/25/58/1067022558.db2.gz CJDUIQJNTTUWCB-OALUTQOASA-N 1 0 474.719 4.782 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@](C)(OC)C1CC1)c1ccccc1 ZINC001545751811 1067025352 /nfs/dbraw/zinc/02/53/52/1067025352.db2.gz LRQGQLWIHOANID-WNCULLNHSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCc1nccs1)c1ccccc1 ZINC001545751788 1067025500 /nfs/dbraw/zinc/02/55/00/1067025500.db2.gz LFIHNSQZZDSZCC-OAQYLSRUSA-N 1 0 452.672 4.830 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@](C)(OC)C1CC1)c1ccccc1 ZINC001545751810 1067025748 /nfs/dbraw/zinc/02/57/48/1067025748.db2.gz LRQGQLWIHOANID-KCWPFWIISA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545752547 1067028923 /nfs/dbraw/zinc/02/89/23/1067028923.db2.gz ZAKBIAORTOLDEM-AHWVRZQESA-N 1 0 494.728 4.635 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC001545753887 1067029694 /nfs/dbraw/zinc/02/96/94/1067029694.db2.gz AKWMBNUWAQUZEM-GPUOULLFSA-N 1 0 496.700 4.607 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@H](OC)C(C)C)c1ccccc1 ZINC001545756846 1067034360 /nfs/dbraw/zinc/03/43/60/1067034360.db2.gz PEKZGBQBDCRAFI-GPUOULLFSA-N 1 0 453.675 4.802 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(c3cccs3)CC2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545756707 1067034714 /nfs/dbraw/zinc/03/47/14/1067034714.db2.gz MGXYNUAWXAOUFE-HSZRJFAPSA-N 1 0 466.699 4.938 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4ccc(C=O)cc4)cc3)CC2)cc1 ZINC001449907777 1067036725 /nfs/dbraw/zinc/03/67/25/1067036725.db2.gz YZRQFVXYMIZOTL-UHFFFAOYSA-N 1 0 455.558 4.519 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCCC(F)(F)F)c1ccccc1 ZINC001545758396 1067037228 /nfs/dbraw/zinc/03/72/28/1067037228.db2.gz GGZOXABYQZOCGN-SIKLNZKXSA-N 1 0 479.591 4.852 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545758434 1067037635 /nfs/dbraw/zinc/03/76/35/1067037635.db2.gz HAARBKZAPLNMDF-HSZRJFAPSA-N 1 0 492.716 4.773 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545758351 1067037868 /nfs/dbraw/zinc/03/78/68/1067037868.db2.gz FDQRHYSJEJUSLE-NZQKXSOJSA-N 1 0 475.628 4.802 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1Cc1cnn(CC(C)C)c1C)c1ccccc1 ZINC001545758597 1067038892 /nfs/dbraw/zinc/03/88/92/1067038892.db2.gz JKAYLJAHEYWMBS-SQJMNOBHSA-N 1 0 463.674 4.560 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC(F)(F)Br)c1ccccc1 ZINC001545758830 1067040209 /nfs/dbraw/zinc/04/02/09/1067040209.db2.gz NTBRKQHKEMYLPQ-GOSISDBHSA-N 1 0 470.406 4.586 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCOCC(F)F)c1ccccc1 ZINC001545759027 1067040817 /nfs/dbraw/zinc/04/08/17/1067040817.db2.gz QJXHIEUCPBQKKL-QFIPXVFZSA-N 1 0 461.601 4.556 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001545759186 1067041354 /nfs/dbraw/zinc/04/13/54/1067041354.db2.gz TYFGSMTUICHPTH-DEOSSOPVSA-N 1 0 453.675 4.683 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545759202 1067041660 /nfs/dbraw/zinc/04/16/60/1067041660.db2.gz UGDOXBSDAGSACU-JOCHJYFZSA-N 1 0 479.591 4.711 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545759413 1067042441 /nfs/dbraw/zinc/04/24/41/1067042441.db2.gz XTUHASUYOAWQJY-WIOPSUGQSA-N 1 0 483.701 4.572 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001546099799 1067043444 /nfs/dbraw/zinc/04/34/44/1067043444.db2.gz MUSHZRBMGPTKLF-MHZLTWQESA-N 1 0 469.674 4.601 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001458369540 1067043744 /nfs/dbraw/zinc/04/37/44/1067043744.db2.gz PQWFPHPHSPVZPT-LADGPHEKSA-N 1 0 456.428 4.887 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C(C)(C)Oc3cccc(Cl)c3)cc2)C[C@H]1C ZINC001458389856 1067049260 /nfs/dbraw/zinc/04/92/60/1067049260.db2.gz DEDBFJQYUWRHGQ-BGYRXZFFSA-N 1 0 459.030 4.823 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)cc1)[NH+]1CCCC1 ZINC001546019443 1067049425 /nfs/dbraw/zinc/04/94/25/1067049425.db2.gz UTPXSTXSJCSFFE-GMKZXUHWSA-N 1 0 469.674 4.716 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1cccc(Br)c1N ZINC001450115937 1067050303 /nfs/dbraw/zinc/05/03/03/1067050303.db2.gz MWEJGQHVUVGWKP-HXUWFJFHSA-N 1 0 458.444 4.837 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1cccc(Br)c1N ZINC001450115932 1067050415 /nfs/dbraw/zinc/05/04/15/1067050415.db2.gz MWEJGQHVUVGWKP-FQEVSTJZSA-N 1 0 458.444 4.837 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001450114037 1067050648 /nfs/dbraw/zinc/05/06/48/1067050648.db2.gz KCTRZBKLUAEELJ-VWNXMTODSA-N 1 0 459.675 4.681 20 0 JJADRO Cc1cc(O[C@H](C)C(=O)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)ccc1Cl ZINC001458396104 1067050717 /nfs/dbraw/zinc/05/07/17/1067050717.db2.gz NSCVUDCRGWTPPJ-PCCBWWKXSA-N 1 0 459.030 4.741 20 0 JJADRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)O[C@@H](C)C2 ZINC001450126655 1067051051 /nfs/dbraw/zinc/05/10/51/1067051051.db2.gz JUBOEUXHKYOGGD-CISPJPAASA-N 1 0 454.636 4.653 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCCC1)c1ccccc1 ZINC001545766284 1067051638 /nfs/dbraw/zinc/05/16/38/1067051638.db2.gz PKTWZONVZBOVNN-RPWUZVMVSA-N 1 0 496.700 4.799 20 0 JJADRO Cc1noc(Cl)c1CCC(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001450135244 1067052304 /nfs/dbraw/zinc/05/23/04/1067052304.db2.gz FXATZNHDCPIYAX-QFIPXVFZSA-N 1 0 452.986 4.657 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[N@@H+]2CCC[C@H]2C)CCO1 ZINC001546100254 1067052309 /nfs/dbraw/zinc/05/23/09/1067052309.db2.gz VTCKVNPLYMTSIC-QFQXNSOFSA-N 1 0 490.092 4.741 20 0 JJADRO Cc1noc(Cl)c1CCC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001450135235 1067052422 /nfs/dbraw/zinc/05/24/22/1067052422.db2.gz FXATZNHDCPIYAX-JOCHJYFZSA-N 1 0 452.986 4.657 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)[NH+](C)C)cc1 ZINC001450140152 1067053654 /nfs/dbraw/zinc/05/36/54/1067053654.db2.gz XRJYAHCKGPQZOE-JOCHJYFZSA-N 1 0 457.043 4.956 20 0 JJADRO CC[C@H](c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545768389 1067054141 /nfs/dbraw/zinc/05/41/41/1067054141.db2.gz UXWMCZCQNWKRKV-LXWOLXCRSA-N 1 0 496.700 4.654 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545768589 1067054485 /nfs/dbraw/zinc/05/44/85/1067054485.db2.gz ZPZQISOBUBRPGF-CFKGEZKQSA-N 1 0 481.632 4.892 20 0 JJADRO C[NH+](C)CCOc1cc(NC(=O)c2ccc(Oc3cccc(Br)c3)cc2)ccn1 ZINC001458424139 1067057661 /nfs/dbraw/zinc/05/76/61/1067057661.db2.gz QOUNCNJJZPFPFD-UHFFFAOYSA-N 1 0 456.340 4.829 20 0 JJADRO Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458444602 1067061911 /nfs/dbraw/zinc/06/19/11/1067061911.db2.gz AJDFYQDMWPNBDW-HRAATJIYSA-N 1 0 453.783 4.902 20 0 JJADRO Cc1ccc(C2(C(=O)NC[C@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)CCOCC2)cc1C ZINC001458445442 1067062677 /nfs/dbraw/zinc/06/26/77/1067062677.db2.gz CGVYLKKBNCABLY-HYBUGGRVSA-N 1 0 459.005 4.953 20 0 JJADRO COc1ccc(CC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1OC ZINC001458446463 1067063227 /nfs/dbraw/zinc/06/32/27/1067063227.db2.gz GUWXXHZJPBOOJQ-VFNWGFHPSA-N 1 0 455.357 4.501 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458452016 1067066636 /nfs/dbraw/zinc/06/66/36/1067066636.db2.gz ZEOBQOQKNVQNFS-YADARESESA-N 1 0 453.945 4.876 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001545774482 1067067503 /nfs/dbraw/zinc/06/75/03/1067067503.db2.gz QPCMJVWEVMCIPA-UHFFFAOYSA-N 1 0 496.483 4.758 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2ccsc2C(F)F)cc1OC ZINC001458460202 1067068306 /nfs/dbraw/zinc/06/83/06/1067068306.db2.gz HWJYIJXQXRCLQP-UHFFFAOYSA-N 1 0 459.946 4.672 20 0 JJADRO CCC(CC)(Cn1c(-c2ccccc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001545775752 1067069670 /nfs/dbraw/zinc/06/96/70/1067069670.db2.gz JPEVKESPCHRZFL-IFMALSPDSA-N 1 0 482.673 4.702 20 0 JJADRO CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545777771 1067072478 /nfs/dbraw/zinc/07/24/78/1067072478.db2.gz LZLNRWFVFMPGJX-UHFFFAOYSA-N 1 0 488.652 4.698 20 0 JJADRO CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](C(C)(C)C)CC1)OC ZINC001545779734 1067075627 /nfs/dbraw/zinc/07/56/27/1067075627.db2.gz YWHKBIPAQLTOQT-UHFFFAOYSA-N 1 0 452.647 4.563 20 0 JJADRO CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3cccc(C)c3)CC2)cc1 ZINC001450415957 1067079004 /nfs/dbraw/zinc/07/90/04/1067079004.db2.gz RPPDLMBIAGZXKJ-KAYWLYCHSA-N 1 0 450.623 4.720 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001546101704 1067081090 /nfs/dbraw/zinc/08/10/90/1067081090.db2.gz JJJSXLCDOWVZTL-CPJSRVTESA-N 1 0 476.065 4.780 20 0 JJADRO CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC001545784674 1067081672 /nfs/dbraw/zinc/08/16/72/1067081672.db2.gz YHWPAZZKWFTUHD-XMMPIXPASA-N 1 0 469.674 4.826 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC001458535618 1067083963 /nfs/dbraw/zinc/08/39/63/1067083963.db2.gz GNCQBBZUQZXERC-LHBJCCJNSA-N 1 0 460.643 4.825 20 0 JJADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC001458538685 1067084383 /nfs/dbraw/zinc/08/43/83/1067084383.db2.gz UOCJEHZLXVUICS-UHFFFAOYSA-N 1 0 453.384 4.618 20 0 JJADRO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC001545789786 1067086719 /nfs/dbraw/zinc/08/67/19/1067086719.db2.gz TVWSNZHFSNRCNJ-UPVQGACJSA-N 1 0 468.690 4.560 20 0 JJADRO CCOC(=O)c1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)ccc1O ZINC001450532571 1067087264 /nfs/dbraw/zinc/08/72/64/1067087264.db2.gz FNBFYEFYIYZSMD-UFHPHHKVSA-N 1 0 458.558 4.597 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001546102122 1067087820 /nfs/dbraw/zinc/08/78/20/1067087820.db2.gz RQJWIWHYDDHWBS-OLKLRSIYSA-N 1 0 489.749 4.959 20 0 JJADRO CC(C)Oc1ccc([C@H](CNC(=O)c2csc(COc3ccc(F)cc3)n2)[NH+](C)C)cc1 ZINC001450540475 1067088016 /nfs/dbraw/zinc/08/80/16/1067088016.db2.gz GJJBUYXELAFRDN-QFIPXVFZSA-N 1 0 457.571 4.681 20 0 JJADRO CC(C)Oc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2Br)[NH+](C)C)cc1 ZINC001450548977 1067090175 /nfs/dbraw/zinc/09/01/75/1067090175.db2.gz TUSZBLBUYQUTQW-HXUWFJFHSA-N 1 0 453.808 4.851 20 0 JJADRO Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC001450608443 1067094990 /nfs/dbraw/zinc/09/49/90/1067094990.db2.gz LXGHOULFGBJCGD-QGZVFWFLSA-N 1 0 457.500 4.798 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001546102358 1067095275 /nfs/dbraw/zinc/09/52/75/1067095275.db2.gz WXTBDWDDRTVYQY-RXYILKCJSA-N 1 0 499.700 4.628 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)N(CC[NH+]3CCCCCC3)C3CCC3)cc21 ZINC001450619614 1067096828 /nfs/dbraw/zinc/09/68/28/1067096828.db2.gz MNXLXXSSKAGLGL-UHFFFAOYSA-N 1 0 455.643 4.784 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626479 1067098539 /nfs/dbraw/zinc/09/85/39/1067098539.db2.gz HGNAAGYZKYEKQK-DYESRHJHSA-N 1 0 458.002 4.866 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634024 1067099569 /nfs/dbraw/zinc/09/95/69/1067099569.db2.gz WDKQNAGOTYLPIS-HTAPYJJXSA-N 1 0 456.011 4.555 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccc(F)cc1 ZINC001450700257 1067106634 /nfs/dbraw/zinc/10/66/34/1067106634.db2.gz IXSRYTAGYZFIOK-LJQANCHMSA-N 1 0 452.313 4.732 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC001450703048 1067107520 /nfs/dbraw/zinc/10/75/20/1067107520.db2.gz UMKWUIMNONBWHZ-UHFFFAOYSA-N 1 0 453.783 4.907 20 0 JJADRO COc1ccc(-c2cc(C(=O)N[C@H](C[NH+](C)C)c3ccc(F)cc3)nn2-c2ccccc2)cc1 ZINC001450704961 1067107956 /nfs/dbraw/zinc/10/79/56/1067107956.db2.gz OPWAPZSOBCELIE-RUZDIDTESA-N 1 0 458.537 4.720 20 0 JJADRO CCC(CC)[C@H](CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545800862 1067108055 /nfs/dbraw/zinc/10/80/55/1067108055.db2.gz NPDOFOPIOWJVIF-JVPYDEADSA-N 1 0 456.679 4.815 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 ZINC001450712075 1067109538 /nfs/dbraw/zinc/10/95/38/1067109538.db2.gz XFAWWPOJNHXTLO-HSZRJFAPSA-N 1 0 454.929 4.508 20 0 JJADRO CCC(CC)[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)OC ZINC001545803187 1067111957 /nfs/dbraw/zinc/11/19/57/1067111957.db2.gz JEJRLWZRBITBKQ-MOUTVQLLSA-N 1 0 475.722 4.713 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C)[NH+](C)C ZINC001545803803 1067114070 /nfs/dbraw/zinc/11/40/70/1067114070.db2.gz VDNVFSDHPZIJMO-ZTCOLXNVSA-N 1 0 489.668 4.674 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1)[NH+](C)C ZINC001545804754 1067116083 /nfs/dbraw/zinc/11/60/83/1067116083.db2.gz AYOBHLWQLYUXIF-WTNAPCKOSA-N 1 0 492.506 4.935 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(OC)CC1)[NH+](C)C ZINC001545804968 1067117426 /nfs/dbraw/zinc/11/74/26/1067117426.db2.gz FZDRXOFPHOBRIC-NZQKXSOJSA-N 1 0 495.510 4.798 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+](C)C ZINC001545805449 1067119769 /nfs/dbraw/zinc/11/97/69/1067119769.db2.gz NNQVXOYKJIWNIO-DXIQSLLYSA-N 1 0 475.653 4.927 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC001545805848 1067121591 /nfs/dbraw/zinc/12/15/91/1067121591.db2.gz TUAWAVADVZTCCV-XZOQPEGZSA-N 1 0 489.108 4.706 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC001545805846 1067121668 /nfs/dbraw/zinc/12/16/68/1067121668.db2.gz TUAWAVADVZTCCV-GOTSBHOMSA-N 1 0 489.108 4.706 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001545806100 1067122145 /nfs/dbraw/zinc/12/21/45/1067122145.db2.gz ZALRBANLRWBKJG-YYDVJCTNSA-N 1 0 460.066 4.970 20 0 JJADRO C[C@@H]1[C@@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001450796598 1067122445 /nfs/dbraw/zinc/12/24/45/1067122445.db2.gz OYKZQCYYPJEJMR-HXOBKFHXSA-N 1 0 452.549 4.976 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](COC)C1)[NH+](C)C ZINC001545806151 1067123009 /nfs/dbraw/zinc/12/30/09/1067123009.db2.gz ZWIRFBXENPJFFC-PGRDOPGGSA-N 1 0 492.506 4.937 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450803139 1067123337 /nfs/dbraw/zinc/12/33/37/1067123337.db2.gz OLXWHUWAJYAGJE-KKSFZXQISA-N 1 0 452.565 4.783 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001546026298 1067124177 /nfs/dbraw/zinc/12/41/77/1067124177.db2.gz KKDVLLFVZLINQI-REWPJTCUSA-N 1 0 465.642 4.887 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001545807252 1067124970 /nfs/dbraw/zinc/12/49/70/1067124970.db2.gz DXEPWUAJODEMPN-OFNKIYASSA-N 1 0 484.689 4.757 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C)C1)[NH+](C)C ZINC001545807307 1067125032 /nfs/dbraw/zinc/12/50/32/1067125032.db2.gz FZUJFMPTUGOCNY-JXFKEZNVSA-N 1 0 466.095 4.915 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+](C)C ZINC001545807377 1067125614 /nfs/dbraw/zinc/12/56/14/1067125614.db2.gz HERXXHUGZIAXOU-FGSXEWAUSA-N 1 0 475.703 4.659 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+](C)C ZINC001545807379 1067125617 /nfs/dbraw/zinc/12/56/17/1067125617.db2.gz HERXXHUGZIAXOU-SPEDKVCISA-N 1 0 475.703 4.659 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001546026376 1067125616 /nfs/dbraw/zinc/12/56/16/1067125616.db2.gz MTZFEJVVYYNAKZ-MRXNPFEDSA-N 1 0 496.519 4.631 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545807621 1067127041 /nfs/dbraw/zinc/12/70/41/1067127041.db2.gz LLQUKNQZYBFLFW-LEWJYISDSA-N 1 0 488.677 4.706 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@@H](C(C)C)C1)[NH+](C)C ZINC001545807539 1067127050 /nfs/dbraw/zinc/12/70/50/1067127050.db2.gz JXXGYBPYUVDRES-VQTJNVASSA-N 1 0 465.111 4.938 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545807624 1067127581 /nfs/dbraw/zinc/12/75/81/1067127581.db2.gz LLQUKNQZYBFLFW-SFTDATJTSA-N 1 0 488.677 4.706 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C)CC1)[NH+](C)C ZINC001545807748 1067128298 /nfs/dbraw/zinc/12/82/98/1067128298.db2.gz NRANZXNYDFKWBE-UGKGYDQZSA-N 1 0 455.647 4.709 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001545807778 1067128900 /nfs/dbraw/zinc/12/89/00/1067128900.db2.gz ODSCPXVKPHVGEZ-OAQYLSRUSA-N 1 0 495.590 4.668 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(COC)CC1)[NH+](C)C ZINC001545807878 1067129508 /nfs/dbraw/zinc/12/95/08/1067129508.db2.gz PCZUKDLMKVYWBF-HXUWFJFHSA-N 1 0 463.070 4.613 20 0 JJADRO C[C@@]1(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC(c2cccc(Cl)c2F)=NO1 ZINC001450838722 1067129698 /nfs/dbraw/zinc/12/96/98/1067129698.db2.gz BXVHDEFIBDNIMW-CLOONOSVSA-N 1 0 457.977 4.781 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001545808159 1067131616 /nfs/dbraw/zinc/13/16/16/1067131616.db2.gz TZTRLEYOUDLYRL-FCHUYYIVSA-N 1 0 478.106 4.677 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001545808098 1067131628 /nfs/dbraw/zinc/13/16/28/1067131628.db2.gz SHDAUAHCURJQTE-XMMPIXPASA-N 1 0 466.699 4.695 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)[NH+](C)C ZINC001545808309 1067133050 /nfs/dbraw/zinc/13/30/50/1067133050.db2.gz WNRGKSVBSRNJJZ-NRFANRHFSA-N 1 0 493.681 4.967 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001545808327 1067133541 /nfs/dbraw/zinc/13/35/41/1067133541.db2.gz WTRWDFPCRDGAHY-PZJWPPBQSA-N 1 0 485.702 4.553 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001545808342 1067133592 /nfs/dbraw/zinc/13/35/92/1067133592.db2.gz WXWWMAYBKSEDAL-QFIPXVFZSA-N 1 0 478.468 4.981 20 0 JJADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC001545808547 1067135053 /nfs/dbraw/zinc/13/50/53/1067135053.db2.gz BNEYQPULHQDXDF-UHFFFAOYSA-N 1 0 451.592 4.727 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545809629 1067136388 /nfs/dbraw/zinc/13/63/88/1067136388.db2.gz HTPFHVZJWRYYJY-IMSXRSKXSA-N 1 0 471.715 4.721 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1)[NH+](C)C ZINC001545809646 1067136422 /nfs/dbraw/zinc/13/64/22/1067136422.db2.gz HYKRNLJDNLBXQX-BWKNWUBXSA-N 1 0 496.679 4.576 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)OC1CCCC1)[NH+]1CCOCC1 ZINC001545809853 1067136886 /nfs/dbraw/zinc/13/68/86/1067136886.db2.gz LMHHIXMKZXPZDN-QHCPKHFHSA-N 1 0 459.610 4.532 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545809993 1067137003 /nfs/dbraw/zinc/13/70/03/1067137003.db2.gz OILBZTKHUMDFMP-HFMPRLQTSA-N 1 0 469.674 4.573 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545810229 1067137534 /nfs/dbraw/zinc/13/75/34/1067137534.db2.gz RZSOVTSHOYWCNU-DNQXCXABSA-N 1 0 483.060 4.938 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545810363 1067138270 /nfs/dbraw/zinc/13/82/70/1067138270.db2.gz VDNLGIKSLJTEMT-VWNXMTODSA-N 1 0 483.701 4.963 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CC(F)(F)F)[NH+]1CCOCC1 ZINC001545810441 1067138300 /nfs/dbraw/zinc/13/83/00/1067138300.db2.gz WWBJZINWCCJULS-LJQANCHMSA-N 1 0 473.971 4.734 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1)[NH+](C)C ZINC001545810542 1067138765 /nfs/dbraw/zinc/13/87/65/1067138765.db2.gz YAQRSJGFDPJYFL-BJKOFHAPSA-N 1 0 486.611 4.506 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001545810473 1067138882 /nfs/dbraw/zinc/13/88/82/1067138882.db2.gz XCUQEHZGQOCYCE-HYBUGGRVSA-N 1 0 483.730 4.595 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001545811903 1067139475 /nfs/dbraw/zinc/13/94/75/1067139475.db2.gz FGHBDXDPHIUUDY-YDHSSHFGSA-N 1 0 466.630 4.580 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001545812193 1067139984 /nfs/dbraw/zinc/13/99/84/1067139984.db2.gz KGKDLAFIPDHQDV-HSZRJFAPSA-N 1 0 499.704 4.508 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(COC)CC1)[NH+](C)C ZINC001545812284 1067140671 /nfs/dbraw/zinc/14/06/71/1067140671.db2.gz LKJIYVXGHNTIHN-XMMPIXPASA-N 1 0 452.647 4.656 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F)[NH+](C)C ZINC001545812402 1067141163 /nfs/dbraw/zinc/14/11/63/1067141163.db2.gz OFDZCJGJDBYOLD-KSFYIVLOSA-N 1 0 457.573 4.577 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC001545814400 1067142414 /nfs/dbraw/zinc/14/24/14/1067142414.db2.gz AQWAPYNFPWKIAO-TUSQITKMSA-N 1 0 469.674 4.507 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(C)CC1)[NH+](C)C ZINC001545814756 1067143041 /nfs/dbraw/zinc/14/30/41/1067143041.db2.gz GTEQZYDIJYJPNT-DHIUTWEWSA-N 1 0 488.721 4.915 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[C@H]21)[NH+](C)C ZINC001545814905 1067143542 /nfs/dbraw/zinc/14/35/42/1067143542.db2.gz IUCRFCIXESYBCH-ZRBLBEILSA-N 1 0 488.721 4.748 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1)[NH+](C)C ZINC001545815152 1067144220 /nfs/dbraw/zinc/14/42/20/1067144220.db2.gz MXGXQQZVROAQMD-DSNGMDLFSA-N 1 0 468.690 4.967 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001545816044 1067146052 /nfs/dbraw/zinc/14/60/52/1067146052.db2.gz ZHWKDWXPUPHGDB-PKTZIBPZSA-N 1 0 461.601 4.768 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001545816951 1067146064 /nfs/dbraw/zinc/14/60/64/1067146064.db2.gz BBULEGCSALAGMM-DYESRHJHSA-N 1 0 450.096 4.830 20 0 JJADRO CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C[NH+](C)C)cc2OC)nnc1-c1ccccc1 ZINC001451097229 1067146211 /nfs/dbraw/zinc/14/62/11/1067146211.db2.gz YDYVZXBJCODQMG-QGZVFWFLSA-N 1 0 453.612 4.717 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@](C)(c2ccccc2)C1)[NH+](C)C ZINC001545817408 1067149045 /nfs/dbraw/zinc/14/90/45/1067149045.db2.gz JLRJMTCYMWTHNF-RPLLCQBOSA-N 1 0 496.725 4.752 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2cc(C)ccc2C)CC1)[NH+](C)C ZINC001545817571 1067149888 /nfs/dbraw/zinc/14/98/88/1067149888.db2.gz LVYNBBHFFVQKFN-RUZDIDTESA-N 1 0 454.707 4.786 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+](C)C ZINC001545817937 1067151842 /nfs/dbraw/zinc/15/18/42/1067151842.db2.gz SDUROIHQTPSBBJ-OFNKIYASSA-N 1 0 465.690 4.755 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001545817828 1067151850 /nfs/dbraw/zinc/15/18/50/1067151850.db2.gz QEOCSELVIRHANM-XMMPIXPASA-N 1 0 457.638 4.525 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N(C)C1CCC2(CC1)OCCO2)[NH+](C)C ZINC001545817877 1067151866 /nfs/dbraw/zinc/15/18/66/1067151866.db2.gz RHTHRWYNJSGUNS-RUZDIDTESA-N 1 0 483.701 4.666 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545818161 1067152486 /nfs/dbraw/zinc/15/24/86/1067152486.db2.gz WVCRLZUHUAJPQA-DQEYMECFSA-N 1 0 497.087 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1)[NH+](C)C ZINC001545818319 1067152559 /nfs/dbraw/zinc/15/25/59/1067152559.db2.gz ZPGHEXJTZRICBT-DQEYMECFSA-N 1 0 471.665 4.770 20 0 JJADRO CCC(CC)[C@H](Cn1c(N(C)[C@@H]2CCc3ccccc32)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819355 1067154330 /nfs/dbraw/zinc/15/43/30/1067154330.db2.gz DNHGLBDZVBQJJG-RPWUZVMVSA-N 1 0 453.675 4.836 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCOCC1 ZINC001545819395 1067154420 /nfs/dbraw/zinc/15/44/20/1067154420.db2.gz FDEMNPDNVPTIAQ-PXDATVDWSA-N 1 0 487.664 4.760 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001545819747 1067156235 /nfs/dbraw/zinc/15/62/35/1067156235.db2.gz LJDVXSQEBVCURA-JOCHJYFZSA-N 1 0 473.637 4.512 20 0 JJADRO CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCCCCCC1)[NH+]1CCOCC1 ZINC001545820032 1067157140 /nfs/dbraw/zinc/15/71/40/1067157140.db2.gz QFMUMJUXKUTPHC-SANMLTNESA-N 1 0 467.702 4.971 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CC[C@H](c3ccccc3OC)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545820188 1067157877 /nfs/dbraw/zinc/15/78/77/1067157877.db2.gz SEDKGZCGNDXTSJ-LADGPHEKSA-N 1 0 483.701 4.715 20 0 JJADRO CC(C)c1ccoc1C(=O)NCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001451308649 1067158661 /nfs/dbraw/zinc/15/86/61/1067158661.db2.gz YMAYASMTQGYVJK-UHFFFAOYSA-N 1 0 455.599 4.692 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001545820373 1067159147 /nfs/dbraw/zinc/15/91/47/1067159147.db2.gz WIGPLATXRXZPSY-PKTZIBPZSA-N 1 0 491.771 4.645 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545820426 1067159268 /nfs/dbraw/zinc/15/92/68/1067159268.db2.gz XERLTWALTXLCJY-LVXARBLLSA-N 1 0 483.701 4.847 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(CCOC2)C1)[NH+](C)C ZINC001545820506 1067159844 /nfs/dbraw/zinc/15/98/44/1067159844.db2.gz YQSJXGUACHSGOO-ZEQKJWHPSA-N 1 0 471.715 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)C[C@H]1CC)[NH+]1CCOCC1 ZINC001545820517 1067159867 /nfs/dbraw/zinc/15/98/67/1067159867.db2.gz YSMBDLSJNILVBG-PTUXOGIPSA-N 1 0 459.704 4.692 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@@H](Cc3ccc(F)cc3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545820497 1067159955 /nfs/dbraw/zinc/15/99/55/1067159955.db2.gz YQAAJDBRDXWQDM-DHLKQENFSA-N 1 0 485.692 4.921 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001545821404 1067161214 /nfs/dbraw/zinc/16/12/14/1067161214.db2.gz CIEXVYLPXPTWHV-PCCBWWKXSA-N 1 0 460.692 4.645 20 0 JJADRO CCC(CC)[C@H](Cn1c(Nc2ccn(C)n2)nnc1-c1cc(F)ccc1Br)[NH+](C)C ZINC001545821713 1067161615 /nfs/dbraw/zinc/16/16/15/1067161615.db2.gz KIHOOZUFMSZRHE-SFHVURJKSA-N 1 0 478.414 4.690 20 0 JJADRO C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001458833562 1067162402 /nfs/dbraw/zinc/16/24/02/1067162402.db2.gz CDZPJLWENDIHNA-RSXYBDTESA-N 1 0 458.046 4.504 20 0 JJADRO CC(C)Cn1ncc2cc(C(=O)N[C@@H](c3ccc(F)c(F)c3)C(C)(C)[NH+]3CCCC3)cnc21 ZINC001458841229 1067168155 /nfs/dbraw/zinc/16/81/55/1067168155.db2.gz YTALONRVIJFCNZ-QFIPXVFZSA-N 1 0 455.553 4.711 20 0 JJADRO CCC(CC)c1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)on1 ZINC001545824602 1067169346 /nfs/dbraw/zinc/16/93/46/1067169346.db2.gz DDAVWEGEKVYLEW-UHFFFAOYSA-N 1 0 468.621 4.868 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001545827768 1067177805 /nfs/dbraw/zinc/17/78/05/1067177805.db2.gz AMSIRJVOLMLFOY-ZUEZHPSSSA-N 1 0 454.663 4.514 20 0 JJADRO Cc1cccc2c1C[C@H](C(=O)N1CCC(CCC[NH+]3CCCC3)CC1)N2C(=O)OC(C)(C)C ZINC001546032491 1067180463 /nfs/dbraw/zinc/18/04/63/1067180463.db2.gz VHZRGIMTVSPRQB-XMMPIXPASA-N 1 0 455.643 4.776 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1Cc1ccc(C)s1 ZINC001545830289 1067180939 /nfs/dbraw/zinc/18/09/39/1067180939.db2.gz QPHNRLVRBWUONJ-UHFFFAOYSA-N 1 0 494.709 4.716 20 0 JJADRO CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001458877092 1067183103 /nfs/dbraw/zinc/18/31/03/1067183103.db2.gz NXLMSYZYKKMYQK-XZOQPEGZSA-N 1 0 453.593 4.824 20 0 JJADRO CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001458877082 1067183211 /nfs/dbraw/zinc/18/32/11/1067183211.db2.gz NXLMSYZYKKMYQK-GOTSBHOMSA-N 1 0 453.593 4.824 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545833920 1067184280 /nfs/dbraw/zinc/18/42/80/1067184280.db2.gz PNMJLSJVURXTGM-SFHVURJKSA-N 1 0 493.071 4.746 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001545834814 1067184753 /nfs/dbraw/zinc/18/47/53/1067184753.db2.gz BDTIVNBYTOUHHD-LJQANCHMSA-N 1 0 493.071 4.746 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001545836127 1067188416 /nfs/dbraw/zinc/18/84/16/1067188416.db2.gz CIGNSTRUKKYNCW-FQEVSTJZSA-N 1 0 468.690 4.652 20 0 JJADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001545838609 1067192104 /nfs/dbraw/zinc/19/21/04/1067192104.db2.gz WIIRCQRTWWVYAQ-VWLOTQADSA-N 1 0 451.611 4.851 20 0 JJADRO Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC001451934051 1067199476 /nfs/dbraw/zinc/19/94/76/1067199476.db2.gz JLCWQKWDYVHNHG-HSZRJFAPSA-N 1 0 451.611 4.913 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001545848670 1067200578 /nfs/dbraw/zinc/20/05/78/1067200578.db2.gz DRVIMOXNDDUHTG-JNSABCDYSA-N 1 0 496.700 4.523 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001545848904 1067201519 /nfs/dbraw/zinc/20/15/19/1067201519.db2.gz HVJZRBAESWJNCM-AANQFLQQSA-N 1 0 494.728 4.980 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001545848850 1067201585 /nfs/dbraw/zinc/20/15/85/1067201585.db2.gz GZSBIKDBOGMMMK-DPLHUUCSSA-N 1 0 466.674 4.658 20 0 JJADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)COc2ccc(Cl)cc2C2CCCCC2)CC1 ZINC001452070599 1067206005 /nfs/dbraw/zinc/20/60/05/1067206005.db2.gz URXBWDXNSQVEQP-UHFFFAOYSA-N 1 0 451.051 4.708 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001546105106 1067208006 /nfs/dbraw/zinc/20/80/06/1067208006.db2.gz VEKJVLZKOWXSFP-JOCHJYFZSA-N 1 0 491.627 4.920 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001452162839 1067211606 /nfs/dbraw/zinc/21/16/06/1067211606.db2.gz WVYPLUSEJIWWDV-UHFFFAOYSA-N 1 0 451.611 4.838 20 0 JJADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccn1-c1c(Cl)cccc1Cl ZINC001458970505 1067213020 /nfs/dbraw/zinc/21/30/20/1067213020.db2.gz BUWBOHNFDMZEAX-LJQANCHMSA-N 1 0 458.389 4.805 20 0 JJADRO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001546038291 1067221936 /nfs/dbraw/zinc/22/19/36/1067221936.db2.gz IFPPGDMOXYKHGD-NRFANRHFSA-N 1 0 473.731 4.962 20 0 JJADRO CCC(O)(CC)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001546039743 1067230041 /nfs/dbraw/zinc/23/00/41/1067230041.db2.gz JNZFDLLHIGYOPI-DNQXCXABSA-N 1 0 483.701 4.807 20 0 JJADRO CCC(O)(CC)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001546039745 1067230126 /nfs/dbraw/zinc/23/01/26/1067230126.db2.gz JNZFDLLHIGYOPI-ZEQRLZLVSA-N 1 0 483.701 4.807 20 0 JJADRO C[C@H]1[C@@H](C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CCN1C(=O)OC(C)(C)C ZINC001452530298 1067232076 /nfs/dbraw/zinc/23/20/76/1067232076.db2.gz IKWKJTYVAQOJNU-GMAHTHKFSA-N 1 0 455.643 4.537 20 0 JJADRO CCN(CC)Cc1csc(NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)n1 ZINC001452543685 1067233133 /nfs/dbraw/zinc/23/31/33/1067233133.db2.gz OUAKSECSTCDJOI-UHFFFAOYSA-N 1 0 458.628 4.573 20 0 JJADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@@]12CC[N@H+](C1)CCC2)c1cccc(Cl)c1Cl ZINC001452596770 1067235721 /nfs/dbraw/zinc/23/57/21/1067235721.db2.gz DLQMIXAVDRKARM-PGRDOPGGSA-N 1 0 456.414 4.504 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)s2)cc1OC ZINC001459064386 1067242354 /nfs/dbraw/zinc/24/23/54/1067242354.db2.gz PWJAPLWOUIJZFK-ZHRRBRCNSA-N 1 0 453.608 4.865 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC([NH2+]C(C)C)CC2)O1 ZINC001546045102 1067258626 /nfs/dbraw/zinc/25/86/26/1067258626.db2.gz KYIFKPLDHMZKGN-BNIKKZEQSA-N 1 0 473.637 4.872 20 0 JJADRO Cc1cc(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001452968438 1067269153 /nfs/dbraw/zinc/26/91/53/1067269153.db2.gz DFVPKNGFAYIFKL-HXUWFJFHSA-N 1 0 457.405 4.877 20 0 JJADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)C1 ZINC001452970039 1067269596 /nfs/dbraw/zinc/26/95/96/1067269596.db2.gz JSSOYGMICYALHV-DEOSSOPVSA-N 1 0 451.998 4.715 20 0 JJADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)C1 ZINC001452970040 1067269636 /nfs/dbraw/zinc/26/96/36/1067269636.db2.gz JSSOYGMICYALHV-XMMPIXPASA-N 1 0 451.998 4.715 20 0 JJADRO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC001452999778 1067273775 /nfs/dbraw/zinc/27/37/75/1067273775.db2.gz WEZOEFRNUZBHHD-JOCHJYFZSA-N 1 0 454.533 4.544 20 0 JJADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2c(Cl)cccc2Br)CC1 ZINC001459232198 1067274585 /nfs/dbraw/zinc/27/45/85/1067274585.db2.gz VDLXKVICBFXMBD-UHFFFAOYSA-N 1 0 451.792 4.524 20 0 JJADRO COc1cccc(C[NH+]2CCC(NC(=O)c3cnc(OC4CCCCC4)c(Cl)c3)CC2)c1 ZINC001453145174 1067283758 /nfs/dbraw/zinc/28/37/58/1067283758.db2.gz HWAQUMIOYFFVGE-UHFFFAOYSA-N 1 0 458.002 4.850 20 0 JJADRO CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)[C@H]1CC[N@H+](CC)C1 ZINC001453177686 1067286978 /nfs/dbraw/zinc/28/69/78/1067286978.db2.gz MKWFVBQHQIKRKC-FQEVSTJZSA-N 1 0 458.400 4.566 20 0 JJADRO Cc1nc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001459317561 1067293127 /nfs/dbraw/zinc/29/31/27/1067293127.db2.gz XHWHFFZGFXGUSH-HXUWFJFHSA-N 1 0 458.393 4.523 20 0 JJADRO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC001459349393 1067300763 /nfs/dbraw/zinc/30/07/63/1067300763.db2.gz KWZAEEYUIRSONL-LJQANCHMSA-N 1 0 459.546 4.916 20 0 JJADRO O=C(CC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1)Nc1ccccc1C(F)(F)F ZINC001459356657 1067302345 /nfs/dbraw/zinc/30/23/45/1067302345.db2.gz QIAMXLVRWSRALK-UHFFFAOYSA-N 1 0 453.892 4.536 20 0 JJADRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001459401940 1067314209 /nfs/dbraw/zinc/31/42/09/1067314209.db2.gz WFCHGTPUFQRLNA-KMDXXIMOSA-N 1 0 458.643 4.892 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001459414651 1067318099 /nfs/dbraw/zinc/31/80/99/1067318099.db2.gz KYRFLLGZIHJSIO-QFIPXVFZSA-N 1 0 454.412 4.890 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(F)(F)c1ccc(Br)cc1 ZINC001459416259 1067319104 /nfs/dbraw/zinc/31/91/04/1067319104.db2.gz MEEWJGAGPYFVCM-LJQANCHMSA-N 1 0 451.355 4.958 20 0 JJADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001459424132 1067322146 /nfs/dbraw/zinc/32/21/46/1067322146.db2.gz YDCIQDBFSPOAMP-FDDCHVKYSA-N 1 0 459.428 4.634 20 0 JJADRO C[N@H+](CCN1CCN(c2ccc(Br)cc2C(F)(F)F)CC1)Cc1ccccc1 ZINC001459428901 1067323430 /nfs/dbraw/zinc/32/34/30/1067323430.db2.gz VTCVIWWZCHQJNO-UHFFFAOYSA-N 1 0 456.350 4.722 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(Cc3ccccc3Cl)C3CCCC3)cc2)CC1 ZINC001459451746 1067326823 /nfs/dbraw/zinc/32/68/23/1067326823.db2.gz SJIJBADPMAGWBV-UHFFFAOYSA-N 1 0 455.046 4.865 20 0 JJADRO COc1cc(Br)ccc1CCC[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC001459453711 1067326864 /nfs/dbraw/zinc/32/68/64/1067326864.db2.gz PKKHCLAMWUNHHI-JOCHJYFZSA-N 1 0 451.449 4.893 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@H]2C)O1 ZINC001546054643 1067327664 /nfs/dbraw/zinc/32/76/64/1067327664.db2.gz PYOAWVFTXQHTHJ-WHCXKFMVSA-N 1 0 453.675 4.925 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCn2cc(-c3cccc(NC(=O)OC(C)(C)C)c3)nc21 ZINC001453768764 1067328432 /nfs/dbraw/zinc/32/84/32/1067328432.db2.gz FABLZUMQBYZQQE-NRFANRHFSA-N 1 0 453.587 4.507 20 0 JJADRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3CC[N@H+](Cc4ccccc4)C(C)(C)C3)ccc2c1 ZINC001459460801 1067329362 /nfs/dbraw/zinc/32/93/62/1067329362.db2.gz XVZYZQYWHFTDEG-JOCHJYFZSA-N 1 0 459.634 4.792 20 0 JJADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC001459481075 1067335793 /nfs/dbraw/zinc/33/57/93/1067335793.db2.gz AMNYWVYAYFTQMH-MRXNPFEDSA-N 1 0 450.808 4.810 20 0 JJADRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc(Oc4ccccc4F)c(F)c3)CC2)CC1 ZINC001459488044 1067337081 /nfs/dbraw/zinc/33/70/81/1067337081.db2.gz ONYSAYBUTGYASN-UHFFFAOYSA-N 1 0 457.565 4.523 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001459490413 1067337596 /nfs/dbraw/zinc/33/75/96/1067337596.db2.gz OZHLBTPOVAAQFG-OAQYLSRUSA-N 1 0 450.023 4.727 20 0 JJADRO CC[C@@H]1C[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001459510669 1067341422 /nfs/dbraw/zinc/34/14/22/1067341422.db2.gz DARJFHJTTSHQBM-DNVJHFABSA-N 1 0 459.631 4.755 20 0 JJADRO CC(C)OCc1cccc(CNC(=O)C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)c1 ZINC001459531858 1067346613 /nfs/dbraw/zinc/34/66/13/1067346613.db2.gz VMRBCEPVAHPXLE-UHFFFAOYSA-N 1 0 459.428 4.654 20 0 JJADRO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001459538312 1067347519 /nfs/dbraw/zinc/34/75/19/1067347519.db2.gz DVVMCFQGUUQONJ-IBGZPJMESA-N 1 0 451.592 4.593 20 0 JJADRO COc1ccc2c(c1)[C@@H]([N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1)CCO2 ZINC001459566568 1067353650 /nfs/dbraw/zinc/35/36/50/1067353650.db2.gz AYOBKBHWWHKRFZ-RBUKOAKNSA-N 1 0 459.340 4.505 20 0 JJADRO Cc1ccc(C(C)(C)C[N@H+](C)CC(=O)Nc2ccc(I)cc2C)cc1 ZINC001459576171 1067355618 /nfs/dbraw/zinc/35/56/18/1067355618.db2.gz MARWFBIBEJZFCM-UHFFFAOYSA-N 1 0 450.364 4.756 20 0 JJADRO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC001459604567 1067360718 /nfs/dbraw/zinc/36/07/18/1067360718.db2.gz AJWBHFHNGVZOQO-HKUYNNGSSA-N 1 0 456.530 4.631 20 0 JJADRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)C1 ZINC001459600445 1067360847 /nfs/dbraw/zinc/36/08/47/1067360847.db2.gz XHCCLTFXYHBTQB-XMMPIXPASA-N 1 0 459.638 4.819 20 0 JJADRO COc1cc2ccccc2cc1-c1nnc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001459614361 1067364663 /nfs/dbraw/zinc/36/46/63/1067364663.db2.gz PWQUFLCCWRCQNJ-UHFFFAOYSA-N 1 0 452.555 4.730 20 0 JJADRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC001459627490 1067367588 /nfs/dbraw/zinc/36/75/88/1067367588.db2.gz RTTHPQPVDZJJHA-ZEQRLZLVSA-N 1 0 453.627 4.510 20 0 JJADRO CN(Cc1cc(Cl)ccc1OCc1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001459628562 1067368249 /nfs/dbraw/zinc/36/82/49/1067368249.db2.gz WOZTWTSNPNMTMV-UHFFFAOYSA-N 1 0 451.014 4.848 20 0 JJADRO COc1ccc2c(c1)C[N@@H+](CC(=O)NCCCOc1ccccc1F)[C@H](C1CCCCC1)C2 ZINC001459664194 1067375863 /nfs/dbraw/zinc/37/58/63/1067375863.db2.gz LBNPFONKJSTRCC-VWLOTQADSA-N 1 0 454.586 4.727 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)C1 ZINC001459665262 1067376306 /nfs/dbraw/zinc/37/63/06/1067376306.db2.gz DVVUJMFVTADLAK-JTHBVZDNSA-N 1 0 455.643 4.583 20 0 JJADRO CC(C)(C)OC(=O)NCCCCCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001459671299 1067378968 /nfs/dbraw/zinc/37/89/68/1067378968.db2.gz LUYHAUWZIPIUFJ-JOCHJYFZSA-N 1 0 459.631 4.890 20 0 JJADRO CC[N@H+](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459672169 1067379194 /nfs/dbraw/zinc/37/91/94/1067379194.db2.gz OMMWVMBZHOBNPG-LEWJYISDSA-N 1 0 459.679 4.893 20 0 JJADRO COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2Br)c1 ZINC001459673892 1067379741 /nfs/dbraw/zinc/37/97/41/1067379741.db2.gz VQMKLQAJVBPTON-DNQXCXABSA-N 1 0 456.380 4.727 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC001459675124 1067380080 /nfs/dbraw/zinc/38/00/80/1067380080.db2.gz BKBRVNBWCQQBHK-IAGOWNOFSA-N 1 0 453.421 4.547 20 0 JJADRO CN(Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459676536 1067380817 /nfs/dbraw/zinc/38/08/17/1067380817.db2.gz XKPQIQVAEIVLLW-HXUWFJFHSA-N 1 0 451.412 4.860 20 0 JJADRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccc(F)cc1 ZINC001459677877 1067381061 /nfs/dbraw/zinc/38/10/61/1067381061.db2.gz QMYMSAHEWVRFFC-NHCUHLMSSA-N 1 0 452.492 4.683 20 0 JJADRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccc(F)cc1 ZINC001459677890 1067381094 /nfs/dbraw/zinc/38/10/94/1067381094.db2.gz QMYMSAHEWVRFFC-SFTDATJTSA-N 1 0 452.492 4.683 20 0 JJADRO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001459684501 1067382626 /nfs/dbraw/zinc/38/26/26/1067382626.db2.gz IMGMEOMMHCYFRB-RPWUZVMVSA-N 1 0 457.659 4.525 20 0 JJADRO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686314 1067383375 /nfs/dbraw/zinc/38/33/75/1067383375.db2.gz NJXPOHIPFDFFQH-VXKWHMMOSA-N 1 0 456.583 4.734 20 0 JJADRO CC[C@H](C)[N@H+](CCC(=O)Nc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459690858 1067385046 /nfs/dbraw/zinc/38/50/46/1067385046.db2.gz ALWJKQLDBKPTQK-HNNXBMFYSA-N 1 0 457.372 4.727 20 0 JJADRO O=C(C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)Nc1ccc(Cl)cn1 ZINC001459694210 1067386261 /nfs/dbraw/zinc/38/62/61/1067386261.db2.gz JOLUOCOVFPVPJT-UHFFFAOYSA-N 1 0 451.954 4.548 20 0 JJADRO COc1ccc(NC(=O)C2([NH2+]CCc3ccc(OC(F)(F)F)cc3)CCCC2)cc1OC ZINC001459708756 1067390408 /nfs/dbraw/zinc/39/04/08/1067390408.db2.gz ULJDHEDPGGXTLC-UHFFFAOYSA-N 1 0 452.473 4.686 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C4CCOCC4)cc3)c(OCC)c2)CC1 ZINC001459710278 1067391242 /nfs/dbraw/zinc/39/12/42/1067391242.db2.gz LELGFDGCUJJITA-UHFFFAOYSA-N 1 0 451.611 4.764 20 0 JJADRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC001459717776 1067394668 /nfs/dbraw/zinc/39/46/68/1067394668.db2.gz PXKUGRJKTXZHFY-ZJSXRUAMSA-N 1 0 452.620 4.939 20 0 JJADRO O=C(N1CCC(CCC[NH+]2CCOCC2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001546111388 1067395023 /nfs/dbraw/zinc/39/50/23/1067395023.db2.gz HAZHAYQUEOCYSB-UHFFFAOYSA-N 1 0 452.561 4.868 20 0 JJADRO C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001459722937 1067395940 /nfs/dbraw/zinc/39/59/40/1067395940.db2.gz UDAWZOAXSUDYNQ-FNZWTVRRSA-N 1 0 458.647 4.679 20 0 JJADRO COc1ccc([C@@H]([NH2+]C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c2ccc(F)cc2)cc1 ZINC001459723920 1067396458 /nfs/dbraw/zinc/39/64/58/1067396458.db2.gz WTEYAAIPWHPRNP-GOTSBHOMSA-N 1 0 456.558 4.682 20 0 JJADRO CCN(C(=O)c1cc(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)ccc1Cl)C(C)C ZINC001459736676 1067399891 /nfs/dbraw/zinc/39/98/91/1067399891.db2.gz SMEPRUPQPHENLO-ZROIWOOFSA-N 1 0 458.002 4.803 20 0 JJADRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC001459749588 1067405441 /nfs/dbraw/zinc/40/54/41/1067405441.db2.gz NDLMSTRCRYOGFK-UHFFFAOYSA-N 1 0 458.400 4.585 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c2ccccc2)cc1 ZINC001459762262 1067412442 /nfs/dbraw/zinc/41/24/42/1067412442.db2.gz HQSYMRAIZHBQOQ-HFZDXXHNSA-N 1 0 452.620 4.673 20 0 JJADRO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC001459762318 1067412909 /nfs/dbraw/zinc/41/29/09/1067412909.db2.gz IEJJBUTUONQTAJ-ZCYQVOJMSA-N 1 0 459.508 4.989 20 0 JJADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2[C@H](c2ccc(F)cc2)c2ccc(Br)cc2)cn1 ZINC001459766907 1067413867 /nfs/dbraw/zinc/41/38/67/1067413867.db2.gz BTWFEDQRGLOOSS-ZLNRFVROSA-N 1 0 458.375 4.999 20 0 JJADRO CC(C)Oc1cc(C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C2CC2)ccn1 ZINC001459774016 1067416660 /nfs/dbraw/zinc/41/66/60/1067416660.db2.gz LKRYTIUXTAVRTP-UHFFFAOYSA-N 1 0 450.352 4.764 20 0 JJADRO O=C(C[N@H+]([C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1cnccn1 ZINC001459781050 1067418293 /nfs/dbraw/zinc/41/82/93/1067418293.db2.gz YZUYRTWCKQVMBV-YHUYYLMFSA-N 1 0 452.443 4.959 20 0 JJADRO COc1ccc(C[N@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C2CCCCC2)cc1OC ZINC001459787592 1067422226 /nfs/dbraw/zinc/42/22/26/1067422226.db2.gz UZLJWLNKNIJOER-UHFFFAOYSA-N 1 0 453.583 4.804 20 0 JJADRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788371 1067422818 /nfs/dbraw/zinc/42/28/18/1067422818.db2.gz BODVOTWSWPFRQT-FDDCHVKYSA-N 1 0 454.018 4.868 20 0 JJADRO O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790051 1067423398 /nfs/dbraw/zinc/42/33/98/1067423398.db2.gz ZKKJHUSHDZXZJE-STQMWFEESA-N 1 0 454.436 4.800 20 0 JJADRO CCC[C@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459812190 1067433925 /nfs/dbraw/zinc/43/39/25/1067433925.db2.gz CIFYAVPNKFMTTF-JTHBVZDNSA-N 1 0 456.428 4.689 20 0 JJADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(C(F)(F)F)cc1 ZINC001459816341 1067435921 /nfs/dbraw/zinc/43/59/21/1067435921.db2.gz GJRXLGBXFVBWBV-HXUWFJFHSA-N 1 0 451.880 4.865 20 0 JJADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+][C@@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC001459826932 1067441254 /nfs/dbraw/zinc/44/12/54/1067441254.db2.gz UVNGVHMXDUDQFD-DEOSSOPVSA-N 1 0 451.611 4.721 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@@H](c2ccccc2C)C2CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459833190 1067444890 /nfs/dbraw/zinc/44/48/90/1067444890.db2.gz JFGCIULODKPBAY-DHIUTWEWSA-N 1 0 453.970 4.560 20 0 JJADRO CCn1c(C[NH2+]C(C)(C)c2cccc(C)c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC001459837001 1067446839 /nfs/dbraw/zinc/44/68/39/1067446839.db2.gz UIZSOISOBGSLFK-UHFFFAOYSA-N 1 0 454.640 4.564 20 0 JJADRO C[N@H+](C[C@H](O)CN[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br)C1CC1 ZINC001459842186 1067449050 /nfs/dbraw/zinc/44/90/50/1067449050.db2.gz FUBANWLUGOTIPN-VFNWGFHPSA-N 1 0 455.799 4.570 20 0 JJADRO Cc1nc(-c2ccc([C@@H](C)[NH2+]CC(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2)cs1 ZINC001459845828 1067451387 /nfs/dbraw/zinc/45/13/87/1067451387.db2.gz ZHKUSLYRYCLAQY-CQSZACIVSA-N 1 0 452.971 4.642 20 0 JJADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1F ZINC001459848896 1067454089 /nfs/dbraw/zinc/45/40/89/1067454089.db2.gz VHMHEUIATYKYNX-OALUTQOASA-N 1 0 451.542 4.506 20 0 JJADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)cc1F ZINC001459848906 1067454164 /nfs/dbraw/zinc/45/41/64/1067454164.db2.gz VHMHEUIATYKYNX-RTBURBONSA-N 1 0 451.542 4.506 20 0 JJADRO CC[C@@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC001459849234 1067454611 /nfs/dbraw/zinc/45/46/11/1067454611.db2.gz BAJWIEUNOUJYCE-XSGAYFKKSA-N 1 0 450.623 4.817 20 0 JJADRO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001459851320 1067456744 /nfs/dbraw/zinc/45/67/44/1067456744.db2.gz QJNSUWSVFZSJMA-HXUWFJFHSA-N 1 0 456.942 4.796 20 0 JJADRO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)c1ccc(Oc2cccnc2)cc1 ZINC001459856308 1067459333 /nfs/dbraw/zinc/45/93/33/1067459333.db2.gz HFKXYYDNPXMKOG-HXUWFJFHSA-N 1 0 455.562 4.790 20 0 JJADRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2cc(Br)cs2)cc1OC ZINC001459856953 1067459923 /nfs/dbraw/zinc/45/99/23/1067459923.db2.gz ZMPLBTSEFMRWNH-AWEZNQCLSA-N 1 0 455.418 4.617 20 0 JJADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2Br)c(Br)c1 ZINC001459860949 1067461402 /nfs/dbraw/zinc/46/14/02/1067461402.db2.gz FWGPAJWLPBPOBP-LBPRGKRZSA-N 1 0 456.178 4.900 20 0 JJADRO Cc1ncc(CNC(=O)CC[N@H+](Cc2ccccc2)Cc2ccc(Br)cc2)s1 ZINC001459876372 1067469374 /nfs/dbraw/zinc/46/93/74/1067469374.db2.gz GSUISIWRCYTENS-UHFFFAOYSA-N 1 0 458.425 4.923 20 0 JJADRO O=C(C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1)NCCc1cnn(-c2ccccc2)c1 ZINC001459883653 1067472227 /nfs/dbraw/zinc/47/22/27/1067472227.db2.gz ZJYCFDRJXATPTJ-SANMLTNESA-N 1 0 458.993 4.758 20 0 JJADRO O=C(CN(CCO)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCCCC2)cc1 ZINC001459894936 1067477162 /nfs/dbraw/zinc/47/71/62/1067477162.db2.gz GJALAWALUJVDON-UHFFFAOYSA-N 1 0 450.410 4.807 20 0 JJADRO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459894747 1067477278 /nfs/dbraw/zinc/47/72/78/1067477278.db2.gz XNNWKSGDEWZEFZ-FIXDAVPBSA-N 1 0 457.659 4.756 20 0 JJADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)NCCc3ccc(OC(F)(F)F)cc3)c(C)c2c1 ZINC001459901026 1067479612 /nfs/dbraw/zinc/47/96/12/1067479612.db2.gz FHMQQEFGJQXMCB-HNNXBMFYSA-N 1 0 450.457 4.658 20 0 JJADRO COc1ccccc1C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C(C)C ZINC001459920863 1067491767 /nfs/dbraw/zinc/49/17/67/1067491767.db2.gz GZVFRYCXKASVGX-HKUYNNGSSA-N 1 0 456.808 4.708 20 0 JJADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cs2)c1 ZINC001459922387 1067492818 /nfs/dbraw/zinc/49/28/18/1067492818.db2.gz DXYKZSADEJPZTG-LPHOPBHVSA-N 1 0 459.612 4.722 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1 ZINC001459933385 1067497473 /nfs/dbraw/zinc/49/74/73/1067497473.db2.gz HQVWKZALBALVFM-UHFFFAOYSA-N 1 0 451.592 4.798 20 0 JJADRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1)C1CCCC1 ZINC001459938939 1067499573 /nfs/dbraw/zinc/49/95/73/1067499573.db2.gz WOZYEANPRJOWJP-KRWDZBQOSA-N 1 0 450.505 4.816 20 0 JJADRO CC(C)N1C(=O)C[C@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459947650 1067502690 /nfs/dbraw/zinc/50/26/90/1067502690.db2.gz BDILCLLUZKMKIM-ZVDOUQERSA-N 1 0 458.883 4.872 20 0 JJADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001459951805 1067504844 /nfs/dbraw/zinc/50/48/44/1067504844.db2.gz QTBQDYICMOHWOC-VWNXMTODSA-N 1 0 459.993 4.705 20 0 JJADRO CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955777 1067506482 /nfs/dbraw/zinc/50/64/82/1067506482.db2.gz VGMBASDGXRCQEL-ZBFHGGJFSA-N 1 0 452.617 4.638 20 0 JJADRO COc1ccc(C(NC(=O)C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC001459958236 1067507049 /nfs/dbraw/zinc/50/70/49/1067507049.db2.gz AWDDDZSKDMYDQS-SQHAQQRYSA-N 1 0 458.602 4.910 20 0 JJADRO CC[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1cc(F)cc(Br)c1 ZINC001459963444 1067509232 /nfs/dbraw/zinc/50/92/32/1067509232.db2.gz OZWLSKGPNPGDIH-INIZCTEOSA-N 1 0 450.377 4.598 20 0 JJADRO C[N@H+](Cc1ccc([Si](C)(C)C)cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC001459968429 1067510332 /nfs/dbraw/zinc/51/03/32/1067510332.db2.gz WMOCNMMSJDFECM-UHFFFAOYSA-N 1 0 450.493 4.776 20 0 JJADRO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)c1 ZINC001459984283 1067515560 /nfs/dbraw/zinc/51/55/60/1067515560.db2.gz ASQSFRVBHZVXIL-JOCHJYFZSA-N 1 0 452.352 4.559 20 0 JJADRO CCOC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001459992003 1067517915 /nfs/dbraw/zinc/51/79/15/1067517915.db2.gz FASGZZVZCVNVMW-MGPUTAFESA-N 1 0 456.414 4.504 20 0 JJADRO C[C@@H]([NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC001459999645 1067521480 /nfs/dbraw/zinc/52/14/80/1067521480.db2.gz SQENNBWDQPEOEN-JLCFBVMHSA-N 1 0 458.375 4.858 20 0 JJADRO CC[C@@]1(CO)CCC[N@H+](Cc2csc(=Nc3ccc(OC)cc3)n2Cc2ccccc2)C1 ZINC001460000872 1067522077 /nfs/dbraw/zinc/52/20/77/1067522077.db2.gz TUZBMYVLXSHVMJ-AREMUKBSSA-N 1 0 451.636 4.823 20 0 JJADRO CCCOc1ccc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2I)cc1 ZINC001460003532 1067522681 /nfs/dbraw/zinc/52/26/81/1067522681.db2.gz IEBCRJKNNSIEJV-UHFFFAOYSA-N 1 0 452.336 4.543 20 0 JJADRO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001460005252 1067523603 /nfs/dbraw/zinc/52/36/03/1067523603.db2.gz WCYSHCABTOJLAY-SFHVURJKSA-N 1 0 458.318 4.561 20 0 JJADRO CC(C)=CC[N@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(Cl)cc1 ZINC001460009633 1067525529 /nfs/dbraw/zinc/52/55/29/1067525529.db2.gz UQKDJWSGOBUGLW-UHFFFAOYSA-N 1 0 450.023 4.578 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC001460009005 1067525722 /nfs/dbraw/zinc/52/57/22/1067525722.db2.gz PCBDVTJTXWEAMO-RDGATRHJSA-N 1 0 457.640 4.581 20 0 JJADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C3CCCC3)cs2)cc1 ZINC001460024335 1067532332 /nfs/dbraw/zinc/53/23/32/1067532332.db2.gz INFCBAXKVRNXAM-HXUWFJFHSA-N 1 0 459.612 4.770 20 0 JJADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC001460028492 1067533577 /nfs/dbraw/zinc/53/35/77/1067533577.db2.gz JDZGKLGMVDXOTB-QGZVFWFLSA-N 1 0 459.892 4.582 20 0 JJADRO Cc1cc(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)c(C)cc1I ZINC001460028913 1067533648 /nfs/dbraw/zinc/53/36/48/1067533648.db2.gz MIBWKWXZHADJPP-LJQANCHMSA-N 1 0 453.364 4.558 20 0 JJADRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC001460031231 1067534552 /nfs/dbraw/zinc/53/45/52/1067534552.db2.gz YOWNHLUXZVHYIS-QAPCUYQASA-N 1 0 450.270 4.920 20 0 JJADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NCC1(c2ccc(F)cc2)CCCC1 ZINC001460040284 1067536432 /nfs/dbraw/zinc/53/64/32/1067536432.db2.gz PKOCKOMSYDYEQI-UHFFFAOYSA-N 1 0 459.993 4.593 20 0 JJADRO Cc1cccc(CC2(O)CC[NH+](CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)c1 ZINC001460040231 1067536497 /nfs/dbraw/zinc/53/64/97/1067536497.db2.gz PFMKDJWEHNUIRM-UHFFFAOYSA-N 1 0 456.586 4.624 20 0 JJADRO CCC1(CC)CN(c2nnc(C(C)(C)C)n2CCc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC001546113509 1067539254 /nfs/dbraw/zinc/53/92/54/1067539254.db2.gz BDPQACCRKIDMHS-UHFFFAOYSA-N 1 0 473.731 4.871 20 0 JJADRO CCC1CCC([N@H+](CCO)CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1 ZINC001460057914 1067541536 /nfs/dbraw/zinc/54/15/36/1067541536.db2.gz ZNINTAGKZCEQTQ-PSGUAHCZSA-N 1 0 458.002 4.874 20 0 JJADRO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CCOc2cc(F)cc(Br)c2)C1 ZINC001460068144 1067545191 /nfs/dbraw/zinc/54/51/91/1067545191.db2.gz DIPZLIZLNYYEBS-LPHOPBHVSA-N 1 0 457.384 4.690 20 0 JJADRO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001460069440 1067545601 /nfs/dbraw/zinc/54/56/01/1067545601.db2.gz ZKKMJJDNPSJHJU-LQCXBHPOSA-N 1 0 451.652 4.888 20 0 JJADRO C[C@H]([NH2+]C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(Oc2cccnc2)cc1 ZINC001460072435 1067546055 /nfs/dbraw/zinc/54/60/55/1067546055.db2.gz VWBDPPJFBVFWRW-CNPGNWEMSA-N 1 0 453.583 4.941 20 0 JJADRO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC001460072672 1067546510 /nfs/dbraw/zinc/54/65/10/1067546510.db2.gz CCDYQBWTSOUUQI-QHCPKHFHSA-N 1 0 453.970 4.716 20 0 JJADRO CCN(C(=O)C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@@H](C)c1ccc(F)cc1 ZINC001460073918 1067546554 /nfs/dbraw/zinc/54/65/54/1067546554.db2.gz VXBKLALPXRXTBP-GAJHUEQPSA-N 1 0 452.492 4.745 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001460073854 1067547295 /nfs/dbraw/zinc/54/72/95/1067547295.db2.gz DIVOGMAJXCWWHU-UHFFFAOYSA-N 1 0 457.615 4.511 20 0 JJADRO CC[C@@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(OC)c(OC)c1 ZINC001460076717 1067548005 /nfs/dbraw/zinc/54/80/05/1067548005.db2.gz FUZIIWPTCPKVDP-QFQXNSOFSA-N 1 0 450.604 4.980 20 0 JJADRO COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)cc1 ZINC001460094729 1067552910 /nfs/dbraw/zinc/55/29/10/1067552910.db2.gz LXYUBSHLFYOUQX-MMOPVJDHSA-N 1 0 472.427 4.730 20 0 JJADRO COc1ccc(/C(C)=C\C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001460095748 1067553603 /nfs/dbraw/zinc/55/36/03/1067553603.db2.gz XQMIWSQPXOYQEB-NOCRFKNCSA-N 1 0 458.400 4.640 20 0 JJADRO O=C(C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)NCc1ccc(N2CCCC2=O)cc1 ZINC001460100525 1067555206 /nfs/dbraw/zinc/55/52/06/1067555206.db2.gz OJQPXMBGLCUCPQ-RPWUZVMVSA-N 1 0 454.014 4.789 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110514 1067556874 /nfs/dbraw/zinc/55/68/74/1067556874.db2.gz PKKGVOUUVRHCSJ-IAGOWNOFSA-N 1 0 455.521 4.613 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)N3CC[N@H+](Cc4ccccc4)C[C@H](C)C3)cc2)c1 ZINC001460122428 1067559374 /nfs/dbraw/zinc/55/93/74/1067559374.db2.gz UQYZCSQRUOQGKT-QHCPKHFHSA-N 1 0 455.602 4.519 20 0 JJADRO COc1cc(NC(=O)CC[N@H+](C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)cc1Cl ZINC001460127320 1067560461 /nfs/dbraw/zinc/56/04/61/1067560461.db2.gz QVZXYPDTJIEONO-LBPRGKRZSA-N 1 0 451.354 4.909 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC001460126525 1067560631 /nfs/dbraw/zinc/56/06/31/1067560631.db2.gz VDAAZYJTRBRDET-IAGOWNOFSA-N 1 0 450.988 4.587 20 0 JJADRO O=C(CN1CCC([NH2+]Cc2ccccc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460131570 1067561274 /nfs/dbraw/zinc/56/12/74/1067561274.db2.gz USDBHTFLBOQYKI-UHFFFAOYSA-N 1 0 459.434 4.917 20 0 JJADRO Ic1cccc(C[C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)c1 ZINC001460137506 1067562740 /nfs/dbraw/zinc/56/27/40/1067562740.db2.gz RXPHHTIHHYVSDJ-SFHVURJKSA-N 1 0 455.343 4.813 20 0 JJADRO C[C@](O)(C[NH2+]C1(Cc2cccc(F)c2)CCOCC1)c1ccc(Br)cc1Cl ZINC001460141377 1067563499 /nfs/dbraw/zinc/56/34/99/1067563499.db2.gz GCGOBMZWUUKHKL-FQEVSTJZSA-N 1 0 456.783 4.831 20 0 JJADRO O=C(C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC001460143087 1067563928 /nfs/dbraw/zinc/56/39/28/1067563928.db2.gz VKDDQFIZNYGKBO-JTHBVZDNSA-N 1 0 452.492 4.905 20 0 JJADRO COc1ccc(C)cc1NC(=O)CN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460149567 1067565387 /nfs/dbraw/zinc/56/53/87/1067565387.db2.gz FNDMRWGUIPOJMH-RUZDIDTESA-N 1 0 458.606 4.504 20 0 JJADRO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCCC[C@H]3Cc3ccccc3Br)c2cc1C ZINC001460158102 1067566845 /nfs/dbraw/zinc/56/68/45/1067566845.db2.gz AWAFFBRWNIRJCZ-LEWJYISDSA-N 1 0 456.428 4.874 20 0 JJADRO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCCC[C@@H]3Cc3ccccc3Br)c2cc1C ZINC001460158106 1067566887 /nfs/dbraw/zinc/56/68/87/1067566887.db2.gz AWAFFBRWNIRJCZ-NHCUHLMSSA-N 1 0 456.428 4.874 20 0 JJADRO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157898 1067566900 /nfs/dbraw/zinc/56/69/00/1067566900.db2.gz NLGVZFCKYRAHPP-OALUTQOASA-N 1 0 450.023 4.946 20 0 JJADRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1cccnc1 ZINC001460159368 1067567176 /nfs/dbraw/zinc/56/71/76/1067567176.db2.gz DJMGWHXYWCPCQW-XZOQPEGZSA-N 1 0 455.396 4.894 20 0 JJADRO COc1cc(NC(=O)CC[N@H+](C)CCc2cccc(Br)c2)c(OC)cc1Cl ZINC001460168364 1067568862 /nfs/dbraw/zinc/56/88/62/1067568862.db2.gz DBGZTCKEPORBOV-UHFFFAOYSA-N 1 0 455.780 4.623 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460173331 1067570209 /nfs/dbraw/zinc/57/02/09/1067570209.db2.gz HUQRGPABYKADLS-BURNTYAHSA-N 1 0 451.652 4.791 20 0 JJADRO Cc1nc(NC(=O)C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)sc1Cc1ccc(C)cc1 ZINC001460173899 1067570659 /nfs/dbraw/zinc/57/06/59/1067570659.db2.gz USYAOYGAWDTPJI-PMACEKPBSA-N 1 0 451.636 4.776 20 0 JJADRO CCC(CC)[N@H+](CC)Cc1cc(I)cc(I)c1 ZINC001460177852 1067571922 /nfs/dbraw/zinc/57/19/22/1067571922.db2.gz IHBSFQIPNQYBGL-UHFFFAOYSA-N 1 0 457.137 4.906 20 0 JJADRO O=C(CC[N@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1)Nc1cc(F)cc(F)c1 ZINC001460181179 1067572687 /nfs/dbraw/zinc/57/26/87/1067572687.db2.gz RLIHWGZFGTWXOZ-VFNWGFHPSA-N 1 0 453.327 4.502 20 0 JJADRO CCCN(CC[NH+]1CCCCCC1)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC001460181122 1067572718 /nfs/dbraw/zinc/57/27/18/1067572718.db2.gz RDDUICHYYMNKIH-JOCHJYFZSA-N 1 0 450.465 4.841 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460183271 1067573424 /nfs/dbraw/zinc/57/34/24/1067573424.db2.gz DQGQNAJGQPZVGW-XLBJILASSA-N 1 0 467.448 4.698 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460183250 1067573435 /nfs/dbraw/zinc/57/34/35/1067573435.db2.gz DQGQNAJGQPZVGW-LYSIVYOWSA-N 1 0 467.448 4.698 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@@H](CN[C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184079 1067573939 /nfs/dbraw/zinc/57/39/39/1067573939.db2.gz XVJXWNVQCBCEPW-ILBGXUMGSA-N 1 0 453.424 4.988 20 0 JJADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001460191934 1067575648 /nfs/dbraw/zinc/57/56/48/1067575648.db2.gz BDZUYZKGMIWCCK-AWEZNQCLSA-N 1 0 454.771 4.781 20 0 JJADRO Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC4(CCN(C(=O)OC(C)(C)C)CC4)CC3)C2=O)c1 ZINC001460206352 1067578866 /nfs/dbraw/zinc/57/88/66/1067578866.db2.gz FQNZQNMWEXDDAU-OAQYLSRUSA-N 1 0 459.606 4.743 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CCC(=O)N[C@H]1CCCc3ccccc31)CC2 ZINC001460206440 1067579055 /nfs/dbraw/zinc/57/90/55/1067579055.db2.gz GVWQWNBLLXQGGD-QHCPKHFHSA-N 1 0 455.643 4.683 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001460207506 1067579309 /nfs/dbraw/zinc/57/93/09/1067579309.db2.gz KQHFZULVNBJQNC-YPAWHYETSA-N 1 0 481.420 4.509 20 0 JJADRO CC(C)(C)OC(=O)N(CCC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1)C1CC1 ZINC001460208304 1067579573 /nfs/dbraw/zinc/57/95/73/1067579573.db2.gz PMBMRPAOUVIKEE-UHFFFAOYSA-N 1 0 451.652 4.889 20 0 JJADRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460215218 1067581479 /nfs/dbraw/zinc/58/14/79/1067581479.db2.gz QHAWGTLGFVDZOA-WIOPSUGQSA-N 1 0 481.999 4.992 20 0 JJADRO COc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217069 1067581739 /nfs/dbraw/zinc/58/17/39/1067581739.db2.gz WYFFXUTWSBSHNO-PZJWPPBQSA-N 1 0 456.587 4.747 20 0 JJADRO Cc1cc(Br)ccc1C[N@H+](Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001460218539 1067582404 /nfs/dbraw/zinc/58/24/04/1067582404.db2.gz OJNGEGKNHLBRFK-FGZHOGPDSA-N 1 0 475.427 4.740 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001460217809 1067582489 /nfs/dbraw/zinc/58/24/89/1067582489.db2.gz KQHFZULVNBJQNC-BHIFYINESA-N 1 0 481.420 4.509 20 0 JJADRO COc1ccc([C@H](O)C[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238564 1067588142 /nfs/dbraw/zinc/58/81/42/1067588142.db2.gz IVQJASRLGWDRJY-DOQQYFFYSA-N 1 0 452.639 4.699 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1(C)C ZINC001460240017 1067588776 /nfs/dbraw/zinc/58/87/76/1067588776.db2.gz MLYUPXCTTUUXMU-CQSZACIVSA-N 1 0 450.794 4.963 20 0 JJADRO C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460240532 1067589083 /nfs/dbraw/zinc/58/90/83/1067589083.db2.gz LTMXLYJYNHGKRD-IRXDYDNUSA-N 1 0 456.562 4.622 20 0 JJADRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260979 1067592842 /nfs/dbraw/zinc/59/28/42/1067592842.db2.gz XLIBBJODNADTBE-LPHOPBHVSA-N 1 0 456.505 4.524 20 0 JJADRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C[C@H]1c1ccc(F)cc1F ZINC001460277954 1067596040 /nfs/dbraw/zinc/59/60/40/1067596040.db2.gz OOYKOFYZOQBQEI-QKNQBKEWSA-N 1 0 450.323 4.993 20 0 JJADRO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CCCC[C@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278985 1067596447 /nfs/dbraw/zinc/59/64/47/1067596447.db2.gz NPCNRKUDFABIER-SJORKVTESA-N 1 0 458.672 4.917 20 0 JJADRO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CCCC[C@@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278977 1067596581 /nfs/dbraw/zinc/59/65/81/1067596581.db2.gz NPCNRKUDFABIER-IAGOWNOFSA-N 1 0 458.672 4.917 20 0 JJADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001460279495 1067597125 /nfs/dbraw/zinc/59/71/25/1067597125.db2.gz OAOXIGDIHZOIQL-XPIZARPCSA-N 1 0 451.920 4.892 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCS1 ZINC001546115288 1067599896 /nfs/dbraw/zinc/59/98/96/1067599896.db2.gz YWUQTDPDUNHORH-JOCHJYFZSA-N 1 0 492.133 4.947 20 0 JJADRO OCC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2F)nc1)c1cccc(OC(F)(F)F)c1 ZINC001460292044 1067600029 /nfs/dbraw/zinc/60/00/29/1067600029.db2.gz NCVUYTLURIPTLS-OAQYLSRUSA-N 1 0 450.432 4.912 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[N@@H+]3CCC[C@@H](O)[C@H]3CCc3ccccc3)cccc2C1 ZINC001460295319 1067600615 /nfs/dbraw/zinc/60/06/15/1067600615.db2.gz KNFXNIHHKJOEBJ-CLJLJLNGSA-N 1 0 450.623 4.938 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2CC[C@H](Oc3ccccc3)C2)c2ccccc2)cc1 ZINC001460300743 1067601814 /nfs/dbraw/zinc/60/18/14/1067601814.db2.gz YONVYCDMCWZGEG-AZGAKELHSA-N 1 0 450.604 4.558 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC001460301791 1067602417 /nfs/dbraw/zinc/60/24/17/1067602417.db2.gz MHFPWTMEVLHJTH-LEWJYISDSA-N 1 0 473.411 4.835 20 0 JJADRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@H]1c1ccc(O)cc1 ZINC001460308768 1067604667 /nfs/dbraw/zinc/60/46/67/1067604667.db2.gz RJGGIFLMZOCKFV-UYHISHBKSA-N 1 0 462.333 4.699 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317541 1067606422 /nfs/dbraw/zinc/60/64/22/1067606422.db2.gz LQGMPGSYHFWYAO-HBGVWJBISA-N 1 0 456.986 4.785 20 0 JJADRO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001460325014 1067608586 /nfs/dbraw/zinc/60/85/86/1067608586.db2.gz FOLIYTIPTJAPHK-NMNUPHIUSA-N 1 0 451.611 4.886 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC001460327854 1067609415 /nfs/dbraw/zinc/60/94/15/1067609415.db2.gz YVWXQIXKLUKATP-JWQCQUIFSA-N 1 0 451.630 4.844 20 0 JJADRO O=C(c1cncc(C(F)(F)F)c1)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460347487 1067613724 /nfs/dbraw/zinc/61/37/24/1067613724.db2.gz DXNJTOYDWYQFPR-QHCPKHFHSA-N 1 0 454.496 4.802 20 0 JJADRO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001460358736 1067617500 /nfs/dbraw/zinc/61/75/00/1067617500.db2.gz GVCGXFMURWQRBZ-LADGPHEKSA-N 1 0 458.643 4.898 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)C12CCCC2 ZINC001460360630 1067618373 /nfs/dbraw/zinc/61/83/73/1067618373.db2.gz DCRSSYMDCQGLMT-FQEVSTJZSA-N 1 0 451.007 4.956 20 0 JJADRO CCc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]3CCCC[C@H]32)c2cccs2)cc1 ZINC001460368408 1067619966 /nfs/dbraw/zinc/61/99/66/1067619966.db2.gz XXGSVCXIABOYNP-FFHOAYQKSA-N 1 0 454.636 4.570 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C12CCCC2 ZINC001460369981 1067620540 /nfs/dbraw/zinc/62/05/40/1067620540.db2.gz SVASZTRLFFQMFC-WOJBJXKFSA-N 1 0 451.652 4.935 20 0 JJADRO CC(C)(C)OC(=O)CCC1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC001460386839 1067623758 /nfs/dbraw/zinc/62/37/58/1067623758.db2.gz HUTXJUSOTGDXSA-UHFFFAOYSA-N 1 0 451.611 4.618 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@@H]2CCC(C)(C)CO2)cc1F ZINC001460388382 1067624279 /nfs/dbraw/zinc/62/42/79/1067624279.db2.gz GCSWPCFXCCQKQB-ZJOUEHCJSA-N 1 0 450.595 4.722 20 0 JJADRO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC001460406278 1067628866 /nfs/dbraw/zinc/62/88/66/1067628866.db2.gz CVRNCXKWHSQWOB-RXVVDRJESA-N 1 0 451.449 4.910 20 0 JJADRO CCc1ccc(NC(=O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cc1 ZINC001460411519 1067629800 /nfs/dbraw/zinc/62/98/00/1067629800.db2.gz QLQVFKYIFJUFGV-DHIUTWEWSA-N 1 0 455.574 4.709 20 0 JJADRO CCOC(=O)CC(C)(C)CC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001460412702 1067630114 /nfs/dbraw/zinc/63/01/14/1067630114.db2.gz WFNBCAMWKRBAFC-NHCUHLMSSA-N 1 0 450.595 4.878 20 0 JJADRO CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001460413841 1067630828 /nfs/dbraw/zinc/63/08/28/1067630828.db2.gz XUEUCYGIYROPEX-ZJSXRUAMSA-N 1 0 459.512 4.780 20 0 JJADRO CC[N@H+](C/C=C/c1ccc(Cl)cc1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460441959 1067635756 /nfs/dbraw/zinc/63/57/56/1067635756.db2.gz DHCUEQCGGQQNRX-UCFODXPJSA-N 1 0 450.023 4.533 20 0 JJADRO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@@H+]1CC(C)(C)CCC1(C)C ZINC001460457996 1067637381 /nfs/dbraw/zinc/63/73/81/1067637381.db2.gz BSIHUWTUDVSVAB-UHFFFAOYSA-N 1 0 453.583 4.795 20 0 JJADRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 ZINC001460484498 1067643712 /nfs/dbraw/zinc/64/37/12/1067643712.db2.gz GCXLUSOZFJZLMB-LEWJYISDSA-N 1 0 453.631 4.716 20 0 JJADRO CC[C@@H](CO)[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CCC(C(C)(C)C)CC1 ZINC001460508709 1067646665 /nfs/dbraw/zinc/64/66/65/1067646665.db2.gz WRGAPCZAAKVLIL-GPJFCIFZSA-N 1 0 458.565 4.879 20 0 JJADRO C[C@H](c1ccccc1Br)[NH+]1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC001460533823 1067652713 /nfs/dbraw/zinc/65/27/13/1067652713.db2.gz FWSCOZNXTRVHBR-CQSZACIVSA-N 1 0 456.306 4.965 20 0 JJADRO CCc1c(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](CC)CC)nnn1-c1cccc(Cl)c1 ZINC001460550313 1067654731 /nfs/dbraw/zinc/65/47/31/1067654731.db2.gz CRKAHIJZRHGASQ-HSZRJFAPSA-N 1 0 454.018 4.858 20 0 JJADRO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 ZINC001460563726 1067656404 /nfs/dbraw/zinc/65/64/04/1067656404.db2.gz ZHQSTQHKTUIJCX-ZJSXRUAMSA-N 1 0 459.512 4.698 20 0 JJADRO COc1ccc([C@H]2CC[N@@H+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570462 1067658179 /nfs/dbraw/zinc/65/81/79/1067658179.db2.gz OUBUQMNZOGOGHV-GHTZIAJQSA-N 1 0 450.476 4.834 20 0 JJADRO CCC1(CC)CN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCS1 ZINC001546117399 1067659678 /nfs/dbraw/zinc/65/96/78/1067659678.db2.gz FGWKCOPTHGGVPC-QHAWAJNXSA-N 1 0 463.736 4.651 20 0 JJADRO CN(C)C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599048 1067666278 /nfs/dbraw/zinc/66/62/78/1067666278.db2.gz WTQULFHYPMIUHB-KXBFYZLASA-N 1 0 452.209 4.932 20 0 JJADRO CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CC[N@@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC001460636941 1067680986 /nfs/dbraw/zinc/68/09/86/1067680986.db2.gz LBBIHSRPJSXJRZ-CVDCTZTESA-N 1 0 459.556 4.916 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647537 1067685318 /nfs/dbraw/zinc/68/53/18/1067685318.db2.gz ACEYUVUWDQNDRO-OZXSUGGESA-N 1 0 458.549 4.743 20 0 JJADRO CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCS1 ZINC001546117995 1067689816 /nfs/dbraw/zinc/68/98/16/1067689816.db2.gz UQRQDZZOWWERAL-YZUZCNPQSA-N 1 0 463.736 4.795 20 0 JJADRO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001460662454 1067692492 /nfs/dbraw/zinc/69/24/92/1067692492.db2.gz UAUBGODNGNKDNI-OALUTQOASA-N 1 0 453.421 4.864 20 0 JJADRO CC(C)CN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CC[NH+](C)CC1 ZINC001460671336 1067694926 /nfs/dbraw/zinc/69/49/26/1067694926.db2.gz AOZJPVJXCHFCKY-XMMPIXPASA-N 1 0 456.030 4.780 20 0 JJADRO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001460671827 1067694979 /nfs/dbraw/zinc/69/49/79/1067694979.db2.gz SKALHFVAQBISNS-XUZZJYLKSA-N 1 0 458.046 4.552 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460673075 1067695959 /nfs/dbraw/zinc/69/59/59/1067695959.db2.gz AJPSKHHXTDNRES-RUZDIDTESA-N 1 0 453.668 4.896 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[N@@H+](CC[C@@H]1Sc3ccccc3NC1=O)C2 ZINC001460675758 1067697071 /nfs/dbraw/zinc/69/70/71/1067697071.db2.gz QHUIBWGXVRNNNE-NRFANRHFSA-N 1 0 455.580 4.731 20 0 JJADRO CO[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001460682591 1067700228 /nfs/dbraw/zinc/70/02/28/1067700228.db2.gz YMPVSUFVGKHTPM-FXAWDEMLSA-N 1 0 451.430 4.617 20 0 JJADRO C[C@H](c1ccc(Oc2ccccc2Cl)cc1Cl)[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC001460685135 1067701452 /nfs/dbraw/zinc/70/14/52/1067701452.db2.gz CRHVGTQRKUPBMO-QGZVFWFLSA-N 1 0 450.410 4.943 20 0 JJADRO Cc1ccc([C@@H]2CC[N@H+](CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697433 1067703693 /nfs/dbraw/zinc/70/36/93/1067703693.db2.gz OZUKFHUQKZHWMT-GHTZIAJQSA-N 1 0 459.512 4.869 20 0 JJADRO COc1cccc([C@@H]2CC[N@H+](CC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460720003 1067709023 /nfs/dbraw/zinc/70/90/23/1067709023.db2.gz QBRIRUFLIXLMLJ-GOTSBHOMSA-N 1 0 452.595 4.644 20 0 JJADRO COc1cc2c(cc1OC)[C@H](C)[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC2 ZINC001460723759 1067709959 /nfs/dbraw/zinc/70/99/59/1067709959.db2.gz GYUWXWGXNBVOGJ-ZDUSSCGKSA-N 1 0 451.336 4.553 20 0 JJADRO C[C@@](O)(CN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(Br)cc1Cl ZINC001460747299 1067714965 /nfs/dbraw/zinc/71/49/65/1067714965.db2.gz LILVAYBFHBEHAG-YFXJRYMSSA-N 1 0 463.847 4.764 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001460747847 1067715128 /nfs/dbraw/zinc/71/51/28/1067715128.db2.gz DSHMTTMHJCPQBM-NBGIEHNGSA-N 1 0 459.034 4.890 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750836 1067715615 /nfs/dbraw/zinc/71/56/15/1067715615.db2.gz WVLZGCRETKRQAV-NFBKMPQASA-N 1 0 453.631 4.953 20 0 JJADRO OC[C@]1([NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)CCCN(Cc2ccccc2)C1 ZINC001460758591 1067718063 /nfs/dbraw/zinc/71/80/63/1067718063.db2.gz SNNKKDIDTSAVRF-MHZLTWQESA-N 1 0 452.545 4.661 20 0 JJADRO CC(C)(C)OC(=O)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(C)(C)C ZINC001460759212 1067718405 /nfs/dbraw/zinc/71/84/05/1067718405.db2.gz DZAOSXKDFJTAJL-VXNXHJTFSA-N 1 0 468.613 4.914 20 0 JJADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CC2(O)CCCCC2)c(C(F)(F)F)c1 ZINC001460762002 1067719051 /nfs/dbraw/zinc/71/90/51/1067719051.db2.gz PYNKPGCKAFIYGI-SFHVURJKSA-N 1 0 455.521 4.542 20 0 JJADRO CCc1cc2c(C[N@@H+]3CCCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460779606 1067722132 /nfs/dbraw/zinc/72/21/32/1067722132.db2.gz WYHNJPOLYGZQDE-AREMUKBSSA-N 1 0 456.583 4.674 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]([NH2+][C@H](CC)CO)c1ccccc1 ZINC001460796998 1067725412 /nfs/dbraw/zinc/72/54/12/1067725412.db2.gz ZGHZOQAUQMIVCM-DENIHFKCSA-N 1 0 452.576 4.632 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460822397 1067729537 /nfs/dbraw/zinc/72/95/37/1067729537.db2.gz SXJWJNICGIKGSQ-AVRDEDQJSA-N 1 0 459.414 4.599 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3ccccc3C)n2CC2CC[NH+](CCN(C)C)CC2)CCS1 ZINC001546119536 1067733855 /nfs/dbraw/zinc/73/38/55/1067733855.db2.gz GVAMFBJBRKOYTR-UHFFFAOYSA-N 1 0 498.785 4.563 20 0 JJADRO CC(C)(C)OC(=O)NCC1([C@H]2CCCC[N@@H+]2C[C@H]2CCN(C(=O)c3ccccc3)C2)CCC1 ZINC001460846429 1067733970 /nfs/dbraw/zinc/73/39/70/1067733970.db2.gz DUWPGIBPUDPAGR-FYYLOGMGSA-N 1 0 455.643 4.698 20 0 JJADRO O=C(N1CCc2ccc([C@@H](O)C[NH+]3CCC(CC4CCCCC4)CC3)cc2C1)C(F)(F)F ZINC001460857849 1067735969 /nfs/dbraw/zinc/73/59/69/1067735969.db2.gz NUXYXWQTCQJYPR-QHCPKHFHSA-N 1 0 452.561 4.849 20 0 JJADRO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)cc1 ZINC001460870867 1067739115 /nfs/dbraw/zinc/73/91/15/1067739115.db2.gz IILUHOXDTZGMBS-JOCHJYFZSA-N 1 0 459.428 4.602 20 0 JJADRO O[C@H](C[N@@H+]1CCC[C@H]1COc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC001460872756 1067739503 /nfs/dbraw/zinc/73/95/03/1067739503.db2.gz MHIFFNACAAOCQX-PKOBYXMFSA-N 1 0 455.190 4.788 20 0 JJADRO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460879692 1067741196 /nfs/dbraw/zinc/74/11/96/1067741196.db2.gz AEWUMQCTSJCBFE-RZUBCFFCSA-N 1 0 467.610 4.685 20 0 JJADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460884586 1067742161 /nfs/dbraw/zinc/74/21/61/1067742161.db2.gz ZKVXEMOPIFXAAP-AEFFLSMTSA-N 1 0 455.437 4.873 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CCS1 ZINC001546119943 1067743414 /nfs/dbraw/zinc/74/34/14/1067743414.db2.gz VYUCPBJWNFVYRI-XMMPIXPASA-N 1 0 494.709 4.687 20 0 JJADRO CCOc1ccc(CC[N@H+](C)[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC001460921117 1067748411 /nfs/dbraw/zinc/74/84/11/1067748411.db2.gz UZRFUFNEBBYOFP-SFHVURJKSA-N 1 0 451.592 4.901 20 0 JJADRO FC(F)(F)c1nc(Br)c2n1CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC001460931279 1067749886 /nfs/dbraw/zinc/74/98/86/1067749886.db2.gz QDZCVTOBLUHIOV-UHFFFAOYSA-N 1 0 457.338 4.666 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nnc(-c3c(Cl)cccc3Cl)o1)C2 ZINC001460931875 1067750496 /nfs/dbraw/zinc/75/04/96/1067750496.db2.gz QVARCRUDFYFBMV-IHRRRGAJSA-N 1 0 453.370 4.921 20 0 JJADRO COc1cc(Br)ccc1CCC[N@@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001460936630 1067750950 /nfs/dbraw/zinc/75/09/50/1067750950.db2.gz NSRLTZKHNFYRNZ-UHFFFAOYSA-N 1 0 453.421 4.912 20 0 JJADRO COCC[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c2ccccc21 ZINC001460949024 1067752364 /nfs/dbraw/zinc/75/23/64/1067752364.db2.gz GZUAKOFTHQCRRR-NBGIEHNGSA-N 1 0 456.030 4.624 20 0 JJADRO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460953655 1067753077 /nfs/dbraw/zinc/75/30/77/1067753077.db2.gz ZDJVEWAWKIADHP-HNNXBMFYSA-N 1 0 458.430 4.892 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]1CCCC2 ZINC001460978787 1067755615 /nfs/dbraw/zinc/75/56/15/1067755615.db2.gz VNWPFBSNMWDKGM-CPJSRVTESA-N 1 0 451.652 4.650 20 0 JJADRO COc1ccc([C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)N2CCCC2)cc1 ZINC001460987534 1067757949 /nfs/dbraw/zinc/75/79/49/1067757949.db2.gz BIVSCOXVWMZWTN-IBGZPJMESA-N 1 0 455.343 4.986 20 0 JJADRO C[NH+](C)CCCNCc1cc(Br)cc(Br)c1OCc1ccccc1 ZINC001460999868 1067760483 /nfs/dbraw/zinc/76/04/83/1067760483.db2.gz UIFONYPRTZOMRK-UHFFFAOYSA-N 1 0 456.222 4.832 20 0 JJADRO COc1ccccc1[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1)N1CCCC1 ZINC001461000067 1067760611 /nfs/dbraw/zinc/76/06/11/1067760611.db2.gz GJIWLZWLWUCDTP-OAQYLSRUSA-N 1 0 455.400 4.775 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H](c3ccco3)N3CCCCC3)o2)C1 ZINC001461011643 1067762004 /nfs/dbraw/zinc/76/20/04/1067762004.db2.gz HRYLBFJXKBZOMS-UNMCSNQZSA-N 1 0 457.615 4.748 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H](c3ccco3)N3CCCCC3)o2)C1 ZINC001461011634 1067762072 /nfs/dbraw/zinc/76/20/72/1067762072.db2.gz HRYLBFJXKBZOMS-IFMALSPDSA-N 1 0 457.615 4.748 20 0 JJADRO COc1cccc([C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N2CCCC2)c1 ZINC001461016847 1067762598 /nfs/dbraw/zinc/76/25/98/1067762598.db2.gz WMJVTBDBZNWEKG-XMMPIXPASA-N 1 0 458.528 4.886 20 0 JJADRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2cc(C)c(I)cc2C)cc1 ZINC001461019591 1067762934 /nfs/dbraw/zinc/76/29/34/1067762934.db2.gz PQGHOWPCGFDOPH-UHFFFAOYSA-N 1 0 450.364 4.680 20 0 JJADRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc(Br)c(Br)c2)cc1 ZINC001461019760 1067763004 /nfs/dbraw/zinc/76/30/04/1067763004.db2.gz RPUYIJAMXFDEPT-UHFFFAOYSA-N 1 0 454.206 4.983 20 0 JJADRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC001461026878 1067764840 /nfs/dbraw/zinc/76/48/40/1067764840.db2.gz YULIRVMRPNAKKY-NRFANRHFSA-N 1 0 455.558 4.829 20 0 JJADRO CCOC(=O)N[C@H](C[NH2+]Cc1cc(Br)c(C)c(Br)c1)CC(C)C ZINC001461040900 1067767979 /nfs/dbraw/zinc/76/79/79/1067767979.db2.gz SVMGKIWLZJMNIZ-AWEZNQCLSA-N 1 0 450.215 4.770 20 0 JJADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)cc1 ZINC001461043889 1067768567 /nfs/dbraw/zinc/76/85/67/1067768567.db2.gz WLUKTOMWVZQQRI-UHFFFAOYSA-N 1 0 455.400 4.763 20 0 JJADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC001461043965 1067768703 /nfs/dbraw/zinc/76/87/03/1067768703.db2.gz XMYVALPYXIPNON-CQSZACIVSA-N 1 0 453.892 4.993 20 0 JJADRO COC(=O)Nc1ccc(C[NH2+]Cc2cc(Br)c(OC)c(Br)c2)cc1 ZINC001461048067 1067769212 /nfs/dbraw/zinc/76/92/12/1067769212.db2.gz DSTMLKCGPNECQZ-UHFFFAOYSA-N 1 0 458.150 4.688 20 0 JJADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC001461050486 1067769670 /nfs/dbraw/zinc/76/96/70/1067769670.db2.gz HFWJWTGPQUQEQV-FQEVSTJZSA-N 1 0 458.425 4.803 20 0 JJADRO CCOc1cc(C[NH2+][C@@H](C)CN2CCOCC2)ccc1OCc1c(Cl)cccc1Cl ZINC001461052587 1067770317 /nfs/dbraw/zinc/77/03/17/1067770317.db2.gz MPLJRXIMRABIQK-KRWDZBQOSA-N 1 0 453.410 4.781 20 0 JJADRO COC(=O)Nc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc(C(F)(F)F)c1 ZINC001461060644 1067772758 /nfs/dbraw/zinc/77/27/58/1067772758.db2.gz LCSYFQMTWATHIT-UHFFFAOYSA-N 1 0 456.490 4.749 20 0 JJADRO CC[C@@H]([NH2+]Cc1ccnc2c(Br)cccc12)c1ccccc1OCC(=O)N(C)C ZINC001461064835 1067774344 /nfs/dbraw/zinc/77/43/44/1067774344.db2.gz QWPHZVNJSGOZPV-HXUWFJFHSA-N 1 0 456.384 4.705 20 0 JJADRO Fc1ccc(CN2CCC([NH2+]Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC2)cc1F ZINC001461067474 1067775043 /nfs/dbraw/zinc/77/50/43/1067775043.db2.gz RPRXERDIBRAFIU-NRFANRHFSA-N 1 0 450.957 4.930 20 0 JJADRO Cn1nc(C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cc1Br ZINC001461083196 1067777985 /nfs/dbraw/zinc/77/79/85/1067777985.db2.gz WLKOEECTRWUFAE-UHFFFAOYSA-N 1 0 453.384 4.815 20 0 JJADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(F)(F)F ZINC001461091422 1067780140 /nfs/dbraw/zinc/78/01/40/1067780140.db2.gz RJSASBXSEVANIO-HXUWFJFHSA-N 1 0 457.855 4.935 20 0 JJADRO CCOc1ccc(C2(C[NH2+]Cc3ccc(I)s3)CCOCC2)cc1 ZINC001461093735 1067780605 /nfs/dbraw/zinc/78/06/05/1067780605.db2.gz FUYLAVBCFPAOOH-UHFFFAOYSA-N 1 0 457.377 4.589 20 0 JJADRO O[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)COc1ccc(F)cc1 ZINC001461095253 1067781277 /nfs/dbraw/zinc/78/12/77/1067781277.db2.gz ANUWVHGTLJHLBQ-QHCPKHFHSA-N 1 0 451.929 4.861 20 0 JJADRO Cc1ccc(Cn2cc(C[NH2+]C[C@@H](O)COc3cccc(F)c3)c(-c3ccc(C)cc3)n2)cc1 ZINC001461100919 1067781993 /nfs/dbraw/zinc/78/19/93/1067781993.db2.gz NPBSABSLPYPUQY-AREMUKBSSA-N 1 0 459.565 4.884 20 0 JJADRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC001461102374 1067782375 /nfs/dbraw/zinc/78/23/75/1067782375.db2.gz YCWCRSOQILOWCQ-HNNXBMFYSA-N 1 0 457.206 4.551 20 0 JJADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3cc4nc(Cl)ccc4s3)CC2)cc1 ZINC001461114394 1067784204 /nfs/dbraw/zinc/78/42/04/1067784204.db2.gz YBEINSJNGIUFRE-UHFFFAOYSA-N 1 0 450.029 4.502 20 0 JJADRO CC(C)(C[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 ZINC001461118563 1067784792 /nfs/dbraw/zinc/78/47/92/1067784792.db2.gz CAFGWWLZBDRDEW-UHFFFAOYSA-N 1 0 457.361 4.580 20 0 JJADRO O[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)c1ccccc1C(F)(F)F ZINC001461121852 1067785343 /nfs/dbraw/zinc/78/53/43/1067785343.db2.gz QTSOLSNSXUWOAU-HXUWFJFHSA-N 1 0 457.334 4.756 20 0 JJADRO CCCC[C@@H]([NH2+]C1CCN(c2nc(C)cs2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461132883 1067787369 /nfs/dbraw/zinc/78/73/69/1067787369.db2.gz SDPIFAHNAVZRKO-HSZRJFAPSA-N 1 0 455.672 4.808 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]Cc3ccc(NC(=O)c4cccnc4)cc3)c21 ZINC001461141449 1067788213 /nfs/dbraw/zinc/78/82/13/1067788213.db2.gz BSDBNXRRDPPQLB-UHFFFAOYSA-N 1 0 458.562 4.921 20 0 JJADRO Cc1ccc(Br)c(F)c1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC001461144147 1067788780 /nfs/dbraw/zinc/78/87/80/1067788780.db2.gz QIQRNDHVPSURTF-UHFFFAOYSA-N 1 0 458.169 4.569 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)c3ccc4ccccc4c3)o2)C1 ZINC001461148676 1067789450 /nfs/dbraw/zinc/78/94/50/1067789450.db2.gz WYQQKQAEYRYBIN-VWNXMTODSA-N 1 0 450.579 4.814 20 0 JJADRO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1N)c1ccc2c(c1)CCC(=O)N2 ZINC001461156273 1067790605 /nfs/dbraw/zinc/79/06/05/1067790605.db2.gz SGAYHAFDBHQOJC-JTQLQIEISA-N 1 0 453.178 4.529 20 0 JJADRO O=C(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)NCCc1ccccc1 ZINC001461159219 1067791087 /nfs/dbraw/zinc/79/10/87/1067791087.db2.gz AQLXQFZXDAVYHP-UHFFFAOYSA-N 1 0 458.993 4.700 20 0 JJADRO COc1cc(C[NH2+]Cc2ccc(Cl)cc2Oc2ccc(C)cc2C)ccc1OCC(N)=O ZINC001461170000 1067792129 /nfs/dbraw/zinc/79/21/29/1067792129.db2.gz XAUCEIZUDBXSTN-UHFFFAOYSA-N 1 0 454.954 4.912 20 0 JJADRO COc1cc(C[NH2+]CCc2cccc(C(N)=O)c2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001461175868 1067792994 /nfs/dbraw/zinc/79/29/94/1067792994.db2.gz ZNNYPZJVVCAPBJ-UHFFFAOYSA-N 1 0 458.480 4.724 20 0 JJADRO COc1cc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc(Cl)c1OC ZINC001461177664 1067793557 /nfs/dbraw/zinc/79/35/57/1067793557.db2.gz LQJZUUCVSDOYAN-HXUWFJFHSA-N 1 0 453.410 4.952 20 0 JJADRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(-c4c(F)cccc4F)o3)CC2)cc1OC ZINC001461188376 1067795669 /nfs/dbraw/zinc/79/56/69/1067795669.db2.gz AMBOJOIASROYCY-UHFFFAOYSA-N 1 0 456.489 4.636 20 0 JJADRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001461188772 1067796111 /nfs/dbraw/zinc/79/61/11/1067796111.db2.gz CFLNSWIIJWHVEM-MRXNPFEDSA-N 1 0 451.394 4.688 20 0 JJADRO CCOc1cc(C[NH2+]CC2(N3CCSCC3)CCCCC2)cc(Br)c1OC ZINC001461197536 1067797506 /nfs/dbraw/zinc/79/75/06/1067797506.db2.gz NSWIQTUFCPWTOA-UHFFFAOYSA-N 1 0 457.478 4.698 20 0 JJADRO Brc1cc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)ccc1OCc1ccccc1 ZINC001461198304 1067797776 /nfs/dbraw/zinc/79/77/76/1067797776.db2.gz UMMMWZOGBNFSLZ-JOCHJYFZSA-N 1 0 459.428 4.761 20 0 JJADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCc2cccc(C(=O)N(C)C)c2)cc1 ZINC001461200548 1067798219 /nfs/dbraw/zinc/79/82/19/1067798219.db2.gz AEJDEKZFMQZBHS-UHFFFAOYSA-N 1 0 452.602 4.941 20 0 JJADRO COc1cc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)ccc1OCC(F)(F)F ZINC001461228914 1067804785 /nfs/dbraw/zinc/80/47/85/1067804785.db2.gz FZHVSRSPINTWLM-UHFFFAOYSA-N 1 0 458.786 4.872 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC001461229230 1067804894 /nfs/dbraw/zinc/80/48/94/1067804894.db2.gz GTIJYWYDZLZWPW-IBGZPJMESA-N 1 0 452.755 4.867 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNCc2c(Br)cncc2Br)[C@H]1c1cccs1 ZINC001461235168 1067806552 /nfs/dbraw/zinc/80/65/52/1067806552.db2.gz YOTLQMOUGUEUIB-SJCJKPOMSA-N 1 0 459.251 4.841 20 0 JJADRO COc1cccc(Oc2ncccc2C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c1 ZINC001461234964 1067806605 /nfs/dbraw/zinc/80/66/05/1067806605.db2.gz OXXKFWHKHAVCSO-UHFFFAOYSA-N 1 0 457.324 4.706 20 0 JJADRO Cc1ccccc1O[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001461244182 1067808489 /nfs/dbraw/zinc/80/84/89/1067808489.db2.gz NIQUVZLNNJVMPT-GOSISDBHSA-N 1 0 453.410 4.570 20 0 JJADRO CC[C@H]([NH2+]Cc1c(Br)c2ccccc2n1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461282776 1067817515 /nfs/dbraw/zinc/81/75/15/1067817515.db2.gz VELHNKCZFFMZFQ-NZQKXSOJSA-N 1 0 456.428 4.710 20 0 JJADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]Cc2c(F)ccc(Br)c2F)cc1 ZINC001461284922 1067818183 /nfs/dbraw/zinc/81/81/83/1067818183.db2.gz UZAJEAODUQEHTP-CQSZACIVSA-N 1 0 455.343 4.873 20 0 JJADRO C[C@@H]1CN(C(=O)c2csc(COc3ccc(F)cc3)n2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001461298613 1067822054 /nfs/dbraw/zinc/82/20/54/1067822054.db2.gz DFSKRPATPLNUNC-GUDVDZBRSA-N 1 0 453.583 4.985 20 0 JJADRO COc1cc(Br)c(CNc2cccc(C[NH+]3CCSCC3)c2C)cc1OC ZINC001461301893 1067822470 /nfs/dbraw/zinc/82/24/70/1067822470.db2.gz XCCFXSSXJRZZPA-UHFFFAOYSA-N 1 0 451.430 4.936 20 0 JJADRO C[C@@H]1CN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001461302720 1067823210 /nfs/dbraw/zinc/82/32/10/1067823210.db2.gz YLDXAAKZXXNCCC-FGTMMUONSA-N 1 0 455.396 4.735 20 0 JJADRO Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC001461306118 1067824173 /nfs/dbraw/zinc/82/41/73/1067824173.db2.gz FGUPQMDNLJJTJM-INIZCTEOSA-N 1 0 453.871 4.756 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2c(Br)ccc(Cl)c2F)c1 ZINC001461317941 1067827181 /nfs/dbraw/zinc/82/71/81/1067827181.db2.gz MJUKLWQLHPGRGX-UHFFFAOYSA-N 1 0 456.787 4.925 20 0 JJADRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001461335883 1067831348 /nfs/dbraw/zinc/83/13/48/1067831348.db2.gz WOHPSCCQGPZTQE-KRWDZBQOSA-N 1 0 453.892 4.674 20 0 JJADRO O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001461337080 1067832277 /nfs/dbraw/zinc/83/22/77/1067832277.db2.gz YURMGNBNAFXUSZ-RTBURBONSA-N 1 0 453.435 4.880 20 0 JJADRO COc1ccc(C[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)c(Br)c1O ZINC001461339526 1067832794 /nfs/dbraw/zinc/83/27/94/1067832794.db2.gz KXJLYCVQYDFTQW-FQEVSTJZSA-N 1 0 458.352 4.566 20 0 JJADRO Cc1cc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc(C)c1OCc1ccccn1 ZINC001461357344 1067837196 /nfs/dbraw/zinc/83/71/96/1067837196.db2.gz IDTWCAXLSZHTKA-HXUWFJFHSA-N 1 0 453.945 4.965 20 0 JJADRO CC[N@H+](CCCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CCCCC1 ZINC001461363122 1067838930 /nfs/dbraw/zinc/83/89/30/1067838930.db2.gz VYVDPZNLYUFUFI-UHFFFAOYSA-N 1 0 451.384 4.548 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1)CC(F)(F)F ZINC001461365846 1067839757 /nfs/dbraw/zinc/83/97/57/1067839757.db2.gz SBGVHCODQNKEGC-ZDUSSCGKSA-N 1 0 459.431 4.693 20 0 JJADRO COC(OC)c1ccc(F)c(C[NH2+][C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001461381704 1067842764 /nfs/dbraw/zinc/84/27/64/1067842764.db2.gz XSOBFUJPUAPJQF-IRLDBZIGSA-N 1 0 452.929 4.750 20 0 JJADRO COc1cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)ccc1OCc1ccc(Cl)cc1Cl ZINC001461380759 1067842960 /nfs/dbraw/zinc/84/29/60/1067842960.db2.gz ZSPQQYZPYYTCLE-GOSISDBHSA-N 1 0 458.407 4.638 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC001461406095 1067847823 /nfs/dbraw/zinc/84/78/23/1067847823.db2.gz KSCMBUDXRCAJAX-UHFFFAOYSA-N 1 0 455.278 4.526 20 0 JJADRO CN1CC[C@@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461407973 1067848151 /nfs/dbraw/zinc/84/81/51/1067848151.db2.gz PICATWLDBZRLKX-LIRRHRJNSA-N 1 0 455.755 4.753 20 0 JJADRO Cc1cc(Br)c(Cl)cc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001461421570 1067852685 /nfs/dbraw/zinc/85/26/85/1067852685.db2.gz OHVIRJOVIABAKL-UHFFFAOYSA-N 1 0 450.808 4.952 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001461427610 1067853466 /nfs/dbraw/zinc/85/34/66/1067853466.db2.gz FPNTYKYWTAXDJO-OAHLLOKOSA-N 1 0 459.849 4.791 20 0 JJADRO COc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)ccc1OCCOc1cccc(Br)c1 ZINC001461428930 1067853900 /nfs/dbraw/zinc/85/39/00/1067853900.db2.gz AOOCLZDDBMTWDB-ZHRRBRCNSA-N 1 0 450.373 4.573 20 0 JJADRO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(I)cc1 ZINC001461431491 1067854968 /nfs/dbraw/zinc/85/49/68/1067854968.db2.gz KORYXWDGOSQGHN-OAQYLSRUSA-N 1 0 456.327 4.631 20 0 JJADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1 ZINC001461443187 1067857819 /nfs/dbraw/zinc/85/78/19/1067857819.db2.gz TWYNPPRHIBQJTF-GOSISDBHSA-N 1 0 453.366 4.901 20 0 JJADRO FC(F)(F)COc1ccc(CC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cn1 ZINC001461451819 1067859891 /nfs/dbraw/zinc/85/98/91/1067859891.db2.gz CHZMWPXUNNVKEO-UHFFFAOYSA-N 1 0 458.406 4.619 20 0 JJADRO O=S(=O)(NCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1Cl ZINC001461453870 1067860707 /nfs/dbraw/zinc/86/07/07/1067860707.db2.gz ASNCVBRIGSKGBM-UHFFFAOYSA-N 1 0 459.395 4.929 20 0 JJADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001461454428 1067860771 /nfs/dbraw/zinc/86/07/71/1067860771.db2.gz FPVWHEFANPCLLE-JOCHJYFZSA-N 1 0 451.014 4.774 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC001461453660 1067860952 /nfs/dbraw/zinc/86/09/52/1067860952.db2.gz QHPHBAFKHVAMQX-UHFFFAOYSA-N 1 0 452.908 4.870 20 0 JJADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC001461459758 1067861938 /nfs/dbraw/zinc/86/19/38/1067861938.db2.gz IVUQBEFOJWWGQD-ZDUSSCGKSA-N 1 0 457.739 4.827 20 0 JJADRO COc1cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461465036 1067863699 /nfs/dbraw/zinc/86/36/99/1067863699.db2.gz QKMRQTBDCGLCTB-PKTZIBPZSA-N 1 0 455.639 4.923 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001461466558 1067864065 /nfs/dbraw/zinc/86/40/65/1067864065.db2.gz VHEMCVSSHYILFB-OAQYLSRUSA-N 1 0 453.558 4.627 20 0 JJADRO CC1(C)CC([NH2+][C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC(C)(C)C1 ZINC001461483472 1067871836 /nfs/dbraw/zinc/87/18/36/1067871836.db2.gz CVYIFEGOGXIVLE-QGZVFWFLSA-N 1 0 457.478 4.797 20 0 JJADRO FC(F)Oc1ccc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)cc1Br ZINC001461484575 1067872004 /nfs/dbraw/zinc/87/20/04/1067872004.db2.gz QAEWBCOLSZJFBW-UHFFFAOYSA-N 1 0 457.281 4.945 20 0 JJADRO Cc1ccc(Cn2cc(C[NH2+]CC3(S(C)(=O)=O)CCCC3)c(-c3ccc(C)cc3)n2)cc1 ZINC001461485135 1067872247 /nfs/dbraw/zinc/87/22/47/1067872247.db2.gz BUTVPQBYVDWRGF-UHFFFAOYSA-N 1 0 451.636 4.662 20 0 JJADRO C[C@@](CO)([NH2+]Cc1ccnc2c(Br)cccc12)c1ccc(Br)cc1 ZINC001461498039 1067876183 /nfs/dbraw/zinc/87/61/83/1067876183.db2.gz JQEYAFJTHQOETD-IBGZPJMESA-N 1 0 450.174 4.757 20 0 JJADRO CCOc1c(Cl)cc(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)cc1OC ZINC001461514490 1067879861 /nfs/dbraw/zinc/87/98/61/1067879861.db2.gz LSMDPFTZMXUEGR-KRWDZBQOSA-N 1 0 456.808 4.759 20 0 JJADRO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001546125093 1067882847 /nfs/dbraw/zinc/88/28/47/1067882847.db2.gz VCNNESXRZBYBBK-ATIYNZHBSA-N 1 0 455.687 4.593 20 0 JJADRO Cc1c(Br)cc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1Br ZINC001461534647 1067883954 /nfs/dbraw/zinc/88/39/54/1067883954.db2.gz XDQRPLUAVSWVHU-KRWDZBQOSA-N 1 0 454.206 4.699 20 0 JJADRO CCc1ccccc1[C@@H](C[NH2+]Cc1cc2c(C)nn(C)c2nc1Cl)NC(=O)OC(C)(C)C ZINC001461545093 1067885697 /nfs/dbraw/zinc/88/56/97/1067885697.db2.gz CIJMNEOAXQVHKT-HXUWFJFHSA-N 1 0 458.006 4.848 20 0 JJADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC001461563598 1067889204 /nfs/dbraw/zinc/88/92/04/1067889204.db2.gz HHJDMVLSDRPOLT-KRWDZBQOSA-N 1 0 459.359 4.600 20 0 JJADRO CN(C(=O)c1ccc(NCc2oc3ccccc3c2Br)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001461564041 1067889365 /nfs/dbraw/zinc/88/93/65/1067889365.db2.gz IYZBGDCYTUQWSO-GOSISDBHSA-N 1 0 456.384 4.974 20 0 JJADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC001461563599 1067889510 /nfs/dbraw/zinc/88/95/10/1067889510.db2.gz HHJDMVLSDRPOLT-QGZVFWFLSA-N 1 0 459.359 4.600 20 0 JJADRO CCOc1cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)ccc1OCc1c(Cl)cccc1Cl ZINC001461583598 1067893985 /nfs/dbraw/zinc/89/39/85/1067893985.db2.gz VMCXBQFMRDAJLO-UWJYYQICSA-N 1 0 454.394 4.848 20 0 JJADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001461583845 1067894044 /nfs/dbraw/zinc/89/40/44/1067894044.db2.gz SDWWNEKBADFGOR-GHTZIAJQSA-N 1 0 459.606 4.787 20 0 JJADRO C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)ccc2I)CCCN1C(=O)OC(C)(C)C ZINC001461589029 1067894867 /nfs/dbraw/zinc/89/48/67/1067894867.db2.gz MNJVCIYVYGTDHP-MLGOLLRUSA-N 1 0 464.775 4.822 20 0 JJADRO COc1cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)ccc1OCc1ccc(Cl)cc1Cl ZINC001461591195 1067895733 /nfs/dbraw/zinc/89/57/33/1067895733.db2.gz XWSALGFTLVIAPS-QHCPKHFHSA-N 1 0 454.394 4.848 20 0 JJADRO FC1(F)Oc2ccc(CC[NH2+]C3CCN(Cc4ccccc4Br)CC3)cc2O1 ZINC001461601124 1067899027 /nfs/dbraw/zinc/89/90/27/1067899027.db2.gz ADSXRBOXJWDCOS-UHFFFAOYSA-N 1 0 453.327 4.567 20 0 JJADRO CCOc1cc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC001461607335 1067900477 /nfs/dbraw/zinc/90/04/77/1067900477.db2.gz RBABYPKYCMTNCK-INIZCTEOSA-N 1 0 450.501 4.739 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cnc([C@H]3CCCO3)s2)cc1 ZINC001461624198 1067904159 /nfs/dbraw/zinc/90/41/59/1067904159.db2.gz GIMCJCSCKLNITP-FDFHNCONSA-N 1 0 473.639 4.886 20 0 JJADRO Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cc(Cl)ccc3OC3CCCC3)CC(=O)N2C(C)(C)C)cn1 ZINC001461628397 1067905317 /nfs/dbraw/zinc/90/53/17/1067905317.db2.gz GVCZEIKDQWNPOO-KOSHJBKYSA-N 1 0 459.034 4.873 20 0 JJADRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001461635046 1067906537 /nfs/dbraw/zinc/90/65/37/1067906537.db2.gz RLWBBRBQFRGUMB-WOJBJXKFSA-N 1 0 466.500 4.515 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cn1 ZINC001461639129 1067907300 /nfs/dbraw/zinc/90/73/00/1067907300.db2.gz ZIKBNYUPUJTOGV-LEWJYISDSA-N 1 0 468.598 4.921 20 0 JJADRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 ZINC001461643013 1067908102 /nfs/dbraw/zinc/90/81/02/1067908102.db2.gz OUFVHFCYAWSPIF-FQEVSTJZSA-N 1 0 459.421 4.919 20 0 JJADRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)cc1 ZINC001461643691 1067908658 /nfs/dbraw/zinc/90/86/58/1067908658.db2.gz QEZXUDJESLMGSG-LJQANCHMSA-N 1 0 458.425 4.945 20 0 JJADRO COc1cc(CC[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)cc(OC)c1OCc1ccccc1 ZINC001461654809 1067910922 /nfs/dbraw/zinc/91/09/22/1067910922.db2.gz BOUZZJPJBADWDM-UHFFFAOYSA-N 1 0 457.473 4.937 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NCc3ccc4ccc(F)c(F)c4n3)c2)CC1 ZINC001461669963 1067915128 /nfs/dbraw/zinc/91/51/28/1067915128.db2.gz SUCUUHNCROXRBJ-UHFFFAOYSA-N 1 0 455.509 4.577 20 0 JJADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC001461671421 1067915150 /nfs/dbraw/zinc/91/51/50/1067915150.db2.gz QCMDJSSRJIZORI-ORAYPTAESA-N 1 0 451.792 4.783 20 0 JJADRO COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)ccc1OCC(F)(F)F ZINC001461674897 1067915503 /nfs/dbraw/zinc/91/55/03/1067915503.db2.gz ANNTZEVFUQHQRC-BGTYHANMSA-N 1 0 458.521 4.902 20 0 JJADRO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)ccc1OCC(F)(F)F ZINC001461674921 1067915548 /nfs/dbraw/zinc/91/55/48/1067915548.db2.gz ANNTZEVFUQHQRC-HPBDAGMYSA-N 1 0 458.521 4.902 20 0 JJADRO C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CN1C(=O)OC(C)(C)C ZINC001461684931 1067917788 /nfs/dbraw/zinc/91/77/88/1067917788.db2.gz RXHUANPNBBBXHX-OCCSQVGLSA-N 1 0 455.422 4.778 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](C[NH2+]Cc1c(F)ccc(C3OCCO3)c1Cl)C2 ZINC001461692374 1067919664 /nfs/dbraw/zinc/91/96/64/1067919664.db2.gz WUGPGFBRMCALCB-MUJYYYPQSA-N 1 0 454.970 4.792 20 0 JJADRO CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CCCC1 ZINC001546126383 1067921284 /nfs/dbraw/zinc/92/12/84/1067921284.db2.gz VVSSDOZNUQEKIW-NHCUHLMSSA-N 1 0 473.637 4.685 20 0 JJADRO O[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2Oc2ccc(F)c(Cl)c2)CC[C@@H]1O ZINC001461750959 1067930316 /nfs/dbraw/zinc/93/03/16/1067930316.db2.gz BZPVBFFTOXEYGC-HEUOYEKWSA-N 1 0 458.755 4.788 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC001461752275 1067930622 /nfs/dbraw/zinc/93/06/22/1067930622.db2.gz QKDZEWIGSOSGLU-GFCCVEGCSA-N 1 0 455.290 4.709 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)cc2)CC1 ZINC001461753902 1067930970 /nfs/dbraw/zinc/93/09/70/1067930970.db2.gz MHIAQTTZVRBIIJ-SNAWJCMRSA-N 1 0 457.565 4.821 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001461767754 1067932992 /nfs/dbraw/zinc/93/29/92/1067932992.db2.gz PUWBBQHDPHUZGQ-FVTFTPSCSA-N 1 0 459.631 4.972 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC001461767758 1067933071 /nfs/dbraw/zinc/93/30/71/1067933071.db2.gz PUWBBQHDPHUZGQ-ZDFPQIBNSA-N 1 0 459.631 4.972 20 0 JJADRO COc1cc(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)c(Cl)cc1Br ZINC001461772372 1067934300 /nfs/dbraw/zinc/93/43/00/1067934300.db2.gz IKAFEWYHZHUYRV-RMKNXTFCSA-N 1 0 453.764 4.703 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC001461775030 1067934931 /nfs/dbraw/zinc/93/49/31/1067934931.db2.gz IVGZNSNDQISURQ-SWLSCSKDSA-N 1 0 462.226 4.995 20 0 JJADRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC001461787875 1067937308 /nfs/dbraw/zinc/93/73/08/1067937308.db2.gz RVZMKWXVQQHCCA-HNNXBMFYSA-N 1 0 450.242 4.632 20 0 JJADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3N4C(=O)OC(C)(C)C)c2)cc1 ZINC001461793394 1067937949 /nfs/dbraw/zinc/93/79/49/1067937949.db2.gz IFNVLZKJUNYPSP-MZYLBHOOSA-N 1 0 451.567 4.578 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1[C@@H](C[NH2+]Cc1cc2ccccc2n(C)c1=O)C(F)(F)F ZINC001461821526 1067942070 /nfs/dbraw/zinc/94/20/70/1067942070.db2.gz RUFHDTLICZNUNM-OAQYLSRUSA-N 1 0 454.496 4.777 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCNc1ccc(C(F)(F)F)cn1 ZINC001461826878 1067942456 /nfs/dbraw/zinc/94/24/56/1067942456.db2.gz UHADRAKMOYIZKX-UHFFFAOYSA-N 1 0 454.294 4.559 20 0 JJADRO CCOc1cc(C[NH2+][C@H](C)c2cc(F)ccc2N(C)C)ccc1OCC(=O)N1CCCCC1 ZINC001461831840 1067943276 /nfs/dbraw/zinc/94/32/76/1067943276.db2.gz KUIFTMIXGWREST-LJQANCHMSA-N 1 0 457.590 4.533 20 0 JJADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001461853006 1067947426 /nfs/dbraw/zinc/94/74/26/1067947426.db2.gz CSRMSFJORGOGDE-UYAOXDASSA-N 1 0 457.412 4.635 20 0 JJADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001461855762 1067948132 /nfs/dbraw/zinc/94/81/32/1067948132.db2.gz ZUUVXRPHIMDNBL-KRWDZBQOSA-N 1 0 455.546 4.832 20 0 JJADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001461870543 1067951375 /nfs/dbraw/zinc/95/13/75/1067951375.db2.gz RMFONHUFOHMVOW-QHCPKHFHSA-N 1 0 457.659 4.687 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2C[C@H]2OC(C)(C)C)c1 ZINC001461884062 1067954147 /nfs/dbraw/zinc/95/41/47/1067954147.db2.gz MCLKPRRRQSFIQW-GPMSIDNRSA-N 1 0 472.457 4.842 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1 ZINC001461885953 1067954510 /nfs/dbraw/zinc/95/45/10/1067954510.db2.gz SKRATBJZKQARGR-KTQBOKQISA-N 1 0 454.442 4.930 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1 ZINC001461885945 1067954558 /nfs/dbraw/zinc/95/45/58/1067954558.db2.gz SKRATBJZKQARGR-JVNHZCFISA-N 1 0 454.442 4.930 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001461906964 1067958818 /nfs/dbraw/zinc/95/88/18/1067958818.db2.gz AVUDPUXIUGSEOD-UHFFFAOYSA-N 1 0 451.611 4.743 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001461907291 1067959278 /nfs/dbraw/zinc/95/92/78/1067959278.db2.gz YLNNSBWNAUWOAL-UHFFFAOYSA-N 1 0 451.014 4.595 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001461908333 1067959621 /nfs/dbraw/zinc/95/96/21/1067959621.db2.gz KRHUQFZNAMDSFB-QGZVFWFLSA-N 1 0 450.549 4.584 20 0 JJADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914217 1067960105 /nfs/dbraw/zinc/96/01/05/1067960105.db2.gz URPMNMNGAPTGDJ-CHWSQXEVSA-N 1 0 455.493 4.986 20 0 JJADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914908 1067960171 /nfs/dbraw/zinc/96/01/71/1067960171.db2.gz URPMNMNGAPTGDJ-QWHCGFSZSA-N 1 0 455.493 4.986 20 0 JJADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914910 1067960189 /nfs/dbraw/zinc/96/01/89/1067960189.db2.gz URPMNMNGAPTGDJ-STQMWFEESA-N 1 0 455.493 4.986 20 0 JJADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001461924191 1067962392 /nfs/dbraw/zinc/96/23/92/1067962392.db2.gz ZDRZIZCYHCBHQR-GOSISDBHSA-N 1 0 456.553 4.778 20 0 JJADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC001461928366 1067962862 /nfs/dbraw/zinc/96/28/62/1067962862.db2.gz RPOLSAQDBFGFDM-RPWUZVMVSA-N 1 0 457.659 4.627 20 0 JJADRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cnc(NC(=O)OC(C)(C)C)s3)C2)cc1 ZINC001461956501 1067968863 /nfs/dbraw/zinc/96/88/63/1067968863.db2.gz CYCDKPGFBOXTRQ-QGZVFWFLSA-N 1 0 459.616 4.832 20 0 JJADRO COc1ccc(CCC(=O)N2CC[NH+](CC(Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC001461968303 1067971366 /nfs/dbraw/zinc/97/13/66/1067971366.db2.gz LEUAQFLDBMXDHH-UHFFFAOYSA-N 1 0 456.630 4.874 20 0 JJADRO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CC(Cc3ccccc3)Cc3ccccc3)C2=O)c1 ZINC001461968060 1067971542 /nfs/dbraw/zinc/97/15/42/1067971542.db2.gz NMYJVVYMJNPFAM-MUUNZHRXSA-N 1 0 458.602 4.843 20 0 JJADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC001461988151 1067976118 /nfs/dbraw/zinc/97/61/18/1067976118.db2.gz KQBHRATZKLPSPX-ZDUSSCGKSA-N 1 0 455.864 4.822 20 0 JJADRO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1F ZINC001461995805 1067977038 /nfs/dbraw/zinc/97/70/38/1067977038.db2.gz PSTDVOKASRCZMH-IERDGZPVSA-N 1 0 452.492 4.813 20 0 JJADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001461996315 1067977125 /nfs/dbraw/zinc/97/71/25/1067977125.db2.gz QZRUZOKHUYNMBH-DSKINZAPSA-N 1 0 455.599 4.778 20 0 JJADRO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCCN(Cc4ccccc4)C3)C2=O)ccc1Br ZINC001462047815 1067989432 /nfs/dbraw/zinc/98/94/32/1067989432.db2.gz BNEGBJCHOWEJKN-REWPJTCUSA-N 1 0 456.428 4.507 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)c1cc(COc2ccccc2F)on1)c1ccc(Cl)c(Cl)c1 ZINC001462051780 1067991307 /nfs/dbraw/zinc/99/13/07/1067991307.db2.gz OAZFWECUUAWNAD-IBGZPJMESA-N 1 0 452.313 4.732 20 0 JJADRO Ic1ccc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)s1 ZINC001462054873 1067991831 /nfs/dbraw/zinc/99/18/31/1067991831.db2.gz RPYDDVSOPZWVNW-UHFFFAOYSA-N 1 0 457.377 4.803 20 0 JJADRO CC[C@@H]1CN(Cc2c(Br)cncc2Br)CC[N@@H+]1Cc1ccccc1 ZINC001462059419 1067993410 /nfs/dbraw/zinc/99/34/10/1067993410.db2.gz WNLDMTOJHHYPHL-MRXNPFEDSA-N 1 0 453.222 4.703 20 0 JJADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc12 ZINC001462066196 1067995191 /nfs/dbraw/zinc/99/51/91/1067995191.db2.gz SHBCJOJXMFWCJG-JKSUJKDBSA-N 1 0 451.409 4.530 20 0 JJADRO CCCN(C)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001462109377 1068005762 /nfs/dbraw/zinc/00/57/62/1068005762.db2.gz QAURPMNGKNISOU-WUFINQPMSA-N 1 0 457.618 4.939 20 0 JJADRO CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001462110380 1068006487 /nfs/dbraw/zinc/00/64/87/1068006487.db2.gz RQCVMYAVLCCQEX-VJGNERBWSA-N 1 0 458.602 4.945 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cccc(F)c2SC)cc1 ZINC001462113267 1068006985 /nfs/dbraw/zinc/00/69/85/1068006985.db2.gz YJSMEFPKADJMRZ-LADGPHEKSA-N 1 0 450.579 4.954 20 0 JJADRO Cc1ccc(-n2ncc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c2C(F)(F)F)cc1 ZINC001462115404 1068007436 /nfs/dbraw/zinc/00/74/36/1068007436.db2.gz DMKMNMJMDQQZCL-UYAOXDASSA-N 1 0 456.512 4.697 20 0 JJADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)c1nc(-c2cccc(F)c2)no1 ZINC001462119827 1068008451 /nfs/dbraw/zinc/00/84/51/1068008451.db2.gz MHHVRRCDYBKSOT-HNNXBMFYSA-N 1 0 459.363 4.953 20 0 JJADRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc(Br)cc(Br)c1N ZINC001462120289 1068009017 /nfs/dbraw/zinc/00/90/17/1068009017.db2.gz UMOPWFDCEDJJHH-LJQANCHMSA-N 1 0 456.222 4.957 20 0 JJADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001462121863 1068009328 /nfs/dbraw/zinc/00/93/28/1068009328.db2.gz QHWCDVRBVOIQPH-RBZFPXEDSA-N 1 0 455.318 4.578 20 0 JJADRO CCC[N@H+](Cc1cn(-c2ccccc2Br)nn1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001462139902 1068013743 /nfs/dbraw/zinc/01/37/43/1068013743.db2.gz WCISETOTYCBKSC-KRWDZBQOSA-N 1 0 456.388 4.659 20 0 JJADRO CC(C)(C)OC(=O)N1CCN([C@H](C[NH2+]C2CCC(c3ccccc3)CC2)C(F)(F)F)CC1 ZINC001462144959 1068014660 /nfs/dbraw/zinc/01/46/60/1068014660.db2.gz FPFQIDVCCGGOKA-XVAXZDLZSA-N 1 0 455.565 4.786 20 0 JJADRO COc1ccc(C[N@H+](CC2CCC2)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(OC)c1 ZINC001462149618 1068015897 /nfs/dbraw/zinc/01/58/97/1068015897.db2.gz NBTZTBKLAGRZIO-LJQANCHMSA-N 1 0 454.558 4.951 20 0 JJADRO C[NH+]1CCC(n2cc(NC(=O)c3ccc(Oc4cccc(Br)c4)cc3)cn2)CC1 ZINC001462151403 1068016588 /nfs/dbraw/zinc/01/65/88/1068016588.db2.gz YNLQQLBMFRBAEG-UHFFFAOYSA-N 1 0 455.356 4.957 20 0 JJADRO Brc1cccc(OCCN(Cc2cn(C3CCC3)nn2)C[C@H]2CCCS2)c1 ZINC001462170626 1068021486 /nfs/dbraw/zinc/02/14/86/1068021486.db2.gz OZYRELWWFAZTRH-HXUWFJFHSA-N 1 0 451.434 4.542 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]C3CC(N4CCC(C(F)(F)F)CC4)C3)CC[C@H]21 ZINC001462175892 1068022158 /nfs/dbraw/zinc/02/21/58/1068022158.db2.gz FFBDBDSOIUBPIK-LHXQDIIJSA-N 1 0 459.597 4.950 20 0 JJADRO CC(=O)Nc1ccccc1C[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001462194887 1068026661 /nfs/dbraw/zinc/02/66/61/1068026661.db2.gz ZIUFWZQWQGOEBD-UHFFFAOYSA-N 1 0 455.356 4.837 20 0 JJADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001462207439 1068029050 /nfs/dbraw/zinc/02/90/50/1068029050.db2.gz XKHBLUZKPFIAPH-GFCCVEGCSA-N 1 0 450.320 4.592 20 0 JJADRO C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC001462220658 1068031168 /nfs/dbraw/zinc/03/11/68/1068031168.db2.gz QIQOZGDPZSXMEN-CPJSRVTESA-N 1 0 451.611 4.536 20 0 JJADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001462220918 1068031354 /nfs/dbraw/zinc/03/13/54/1068031354.db2.gz SEKBTMVBPDQHQV-JPYJTQIMSA-N 1 0 453.583 4.536 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3ccc(C(=O)OCc4ccccc4)[nH]3)C2)CC1 ZINC001462226656 1068032890 /nfs/dbraw/zinc/03/28/90/1068032890.db2.gz APXLUYGQICHJSC-UHFFFAOYSA-N 1 0 453.583 4.595 20 0 JJADRO Cn1cc(I)c(C[NH2+]C(CCc2ccccc2)CCc2ccccc2)n1 ZINC001462229470 1068033874 /nfs/dbraw/zinc/03/38/74/1068033874.db2.gz GLYRVKPRMAZPBD-UHFFFAOYSA-N 1 0 459.375 4.749 20 0 JJADRO CCSc1ccccc1C[C@H](C)[NH2+]CC1(N2CCN(c3ccccc3)CC2)CCOCC1 ZINC001462247104 1068037396 /nfs/dbraw/zinc/03/73/96/1068037396.db2.gz HUCROVAHKDMFIW-QHCPKHFHSA-N 1 0 453.696 4.691 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC001462249625 1068037887 /nfs/dbraw/zinc/03/78/87/1068037887.db2.gz TVTYALGNMCZESC-MSOLQXFVSA-N 1 0 452.020 4.844 20 0 JJADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1 ZINC001462250427 1068038010 /nfs/dbraw/zinc/03/80/10/1068038010.db2.gz XVCHMMSGUXJAHY-GOSISDBHSA-N 1 0 453.583 4.890 20 0 JJADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1 ZINC001462250433 1068038095 /nfs/dbraw/zinc/03/80/95/1068038095.db2.gz XVCHMMSGUXJAHY-SFHVURJKSA-N 1 0 453.583 4.890 20 0 JJADRO C[C@@H]1C[C@@H](NCc2c(Br)cncc2Br)C[N@H+](Cc2ccccc2)C1 ZINC001462255824 1068038800 /nfs/dbraw/zinc/03/88/00/1068038800.db2.gz AMQKFOHJFLZNBV-GDBMZVCRSA-N 1 0 453.222 4.607 20 0 JJADRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)C1=O ZINC001462264427 1068041052 /nfs/dbraw/zinc/04/10/52/1068041052.db2.gz AFKLJTXKZYJSDY-NCFYAPQQSA-N 1 0 459.606 4.503 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(Br)cc2)C12CCOCC2 ZINC001462271926 1068041704 /nfs/dbraw/zinc/04/17/04/1068041704.db2.gz MGKSSQZVOTUABJ-XOIGSVRCSA-N 1 0 451.405 4.514 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@@H](C(=O)NC3CCC(C)([NH+](C)C)CC3)[C@H]2c2cccs2)cc1 ZINC001462281033 1068043076 /nfs/dbraw/zinc/04/30/76/1068043076.db2.gz ZXXDPZBVMVIFFT-SJUPAJBLSA-N 1 0 453.652 4.920 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@H](C(=O)NC3CCC(C)([NH+](C)C)CC3)[C@H]2c2cccs2)cc1 ZINC001462281026 1068043286 /nfs/dbraw/zinc/04/32/86/1068043286.db2.gz ZXXDPZBVMVIFFT-HMGFPSCPSA-N 1 0 453.652 4.920 20 0 JJADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC001462282921 1068043684 /nfs/dbraw/zinc/04/36/84/1068043684.db2.gz IIPXLBDAJHSSSU-FVQBIDKESA-N 1 0 455.304 4.822 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC001462315912 1068050077 /nfs/dbraw/zinc/05/00/77/1068050077.db2.gz RUTYYTDJPIZLHA-UKILVPOCSA-N 1 0 457.659 4.961 20 0 JJADRO CC(C)(C)OC(=O)NCC(C)(C)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC001462334604 1068053139 /nfs/dbraw/zinc/05/31/39/1068053139.db2.gz CIWXIZVWEOSMPM-UHFFFAOYSA-N 1 0 454.453 4.554 20 0 JJADRO COc1ccc([C@H](O)C[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)[C@@H](C)Cc2ccccc2)cc1 ZINC001462339013 1068054668 /nfs/dbraw/zinc/05/46/68/1068054668.db2.gz FIONXWVJCRTPGM-RBTNQOKQSA-N 1 0 458.602 4.771 20 0 JJADRO COCc1ccccc1/C=C(/C)C[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001462359254 1068059261 /nfs/dbraw/zinc/05/92/61/1068059261.db2.gz AXYOSCPLYJDQAE-YGHJTBJTSA-N 1 0 458.396 4.887 20 0 JJADRO CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]CC(=O)Nc1ccc(Br)c(C)c1 ZINC001462362808 1068060300 /nfs/dbraw/zinc/06/03/00/1068060300.db2.gz RZSNZRNKSIKBDB-UHFFFAOYSA-N 1 0 456.425 4.617 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001462383642 1068064019 /nfs/dbraw/zinc/06/40/19/1068064019.db2.gz UDHAUVZOHOOYFM-FCHUYYIVSA-N 1 0 474.642 4.508 20 0 JJADRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CCN1C(=O)OC(C)(C)C ZINC001462406306 1068067115 /nfs/dbraw/zinc/06/71/15/1068067115.db2.gz CCLMLADFDXGBAP-AQNXPRMDSA-N 1 0 451.652 4.934 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C12CCCC2 ZINC001462407364 1068067185 /nfs/dbraw/zinc/06/71/85/1068067185.db2.gz IOMWMWVHVIZSRH-JOCHJYFZSA-N 1 0 453.583 4.784 20 0 JJADRO CC(C)(C)OC(=O)NCC1(CC[NH2+]CCC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001462408431 1068067463 /nfs/dbraw/zinc/06/74/63/1068067463.db2.gz WQTDYBXAUJEVJO-IHWFROFDSA-N 1 0 451.652 4.839 20 0 JJADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2cc(Br)cc(Br)c2)C1 ZINC001462413876 1068070141 /nfs/dbraw/zinc/07/01/41/1068070141.db2.gz MIMJSAZFBBHTOQ-FQEVSTJZSA-N 1 0 452.234 4.960 20 0 JJADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl ZINC001462418316 1068070556 /nfs/dbraw/zinc/07/05/56/1068070556.db2.gz MLHXBQMJITVGDS-UHFFFAOYSA-N 1 0 458.817 4.891 20 0 JJADRO COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001462437008 1068074067 /nfs/dbraw/zinc/07/40/67/1068074067.db2.gz ITDZTXNCUUSHNX-WMZHIEFXSA-N 1 0 453.579 4.852 20 0 JJADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC001462444144 1068075750 /nfs/dbraw/zinc/07/57/50/1068075750.db2.gz ZSUUCYPIHJIPBM-USXIJHARSA-N 1 0 459.450 4.713 20 0 JJADRO CC(C)C[C@H](C[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)CC(=O)OC(C)(C)C ZINC001462448332 1068076121 /nfs/dbraw/zinc/07/61/21/1068076121.db2.gz YGQIFTHDNQSYJR-KRWDZBQOSA-N 1 0 453.624 4.918 20 0 JJADRO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1 ZINC001462451899 1068077796 /nfs/dbraw/zinc/07/77/96/1068077796.db2.gz LCCOHJADXOGJTR-YPAWHYETSA-N 1 0 459.679 4.863 20 0 JJADRO CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001462460130 1068078807 /nfs/dbraw/zinc/07/88/07/1068078807.db2.gz BFNAIQBDXHSQNT-HXUWFJFHSA-N 1 0 458.400 4.773 20 0 JJADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC001462484034 1068082882 /nfs/dbraw/zinc/08/28/82/1068082882.db2.gz IBLJLEBFQZQEKY-NRFANRHFSA-N 1 0 459.432 4.735 20 0 JJADRO COc1cc(Br)c(C[NH2+]C[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1O ZINC001462505026 1068087071 /nfs/dbraw/zinc/08/70/71/1068087071.db2.gz SPOJFWFGFZIQQT-OAHLLOKOSA-N 1 0 457.409 4.679 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OCc3ccccc3)C1)C2 ZINC001462523962 1068090992 /nfs/dbraw/zinc/09/09/92/1068090992.db2.gz STMNPXQKWNTMES-BXXSPATCSA-N 1 0 457.615 4.555 20 0 JJADRO CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC001462544051 1068095520 /nfs/dbraw/zinc/09/55/20/1068095520.db2.gz FFZHQTYRNLABNP-SLFFLAALSA-N 1 0 451.652 4.791 20 0 JJADRO COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001462561082 1068098538 /nfs/dbraw/zinc/09/85/38/1068098538.db2.gz VULLXFWIHUIUIJ-HYBUGGRVSA-N 1 0 454.611 4.594 20 0 JJADRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001462563515 1068099017 /nfs/dbraw/zinc/09/90/17/1068099017.db2.gz IELBHNRZDHOCOQ-QNXIHNPRSA-N 1 0 469.626 4.611 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC001462570501 1068100656 /nfs/dbraw/zinc/10/06/56/1068100656.db2.gz LMPZSDRLZPYSBU-ZMUKGBGYSA-N 1 0 460.540 4.779 20 0 JJADRO CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CCCC1 ZINC001546132560 1068101821 /nfs/dbraw/zinc/10/18/21/1068101821.db2.gz MZYNKAQTGHPQJY-LJQANCHMSA-N 1 0 476.065 4.734 20 0 JJADRO CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CCCC1 ZINC001546132559 1068101898 /nfs/dbraw/zinc/10/18/98/1068101898.db2.gz MZYNKAQTGHPQJY-IBGZPJMESA-N 1 0 476.065 4.734 20 0 JJADRO O[C@H](C[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1)Cc1ccccc1F ZINC001462588592 1068105776 /nfs/dbraw/zinc/10/57/76/1068105776.db2.gz UCAXKUUGULCRMB-HNNXBMFYSA-N 1 0 457.334 4.550 20 0 JJADRO Cc1ccc(-n2c(Cl)c(C[NH2+]C[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)nc2N(C)C)cc1 ZINC001462601159 1068109475 /nfs/dbraw/zinc/10/94/75/1068109475.db2.gz ATULPBSJUJKEOZ-ZWKOTPCHSA-N 1 0 462.038 4.683 20 0 JJADRO CCOC(=O)c1cc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)[nH]c1C ZINC001462616916 1068113021 /nfs/dbraw/zinc/11/30/21/1068113021.db2.gz GHZLSPYREAZDFB-UHFFFAOYSA-N 1 0 455.599 4.558 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)CCCCC1 ZINC001462622564 1068114824 /nfs/dbraw/zinc/11/48/24/1068114824.db2.gz DLARNUYHEWLTJG-UHFFFAOYSA-N 1 0 452.599 4.993 20 0 JJADRO CN1CC[C@H]([NH2+]CC(=O)N2CCCCc3ccccc32)C[C@H]1c1ccc(Br)cc1 ZINC001462622386 1068114847 /nfs/dbraw/zinc/11/48/47/1068114847.db2.gz MFODRKCUHYYMCZ-GMAHTHKFSA-N 1 0 456.428 4.544 20 0 JJADRO C[C@@H]1C[N@H+](Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462623906 1068115592 /nfs/dbraw/zinc/11/55/92/1068115592.db2.gz SDUZFUMZLKVIHL-QZTJIDSGSA-N 1 0 454.546 4.858 20 0 JJADRO CC(C)(C)OC(=O)N1CC(OC2CC[NH+](Cc3ccc(Oc4ccc(F)cc4)nc3)CC2)C1 ZINC001462630259 1068117628 /nfs/dbraw/zinc/11/76/28/1068117628.db2.gz RQAXMWJQOOWMCI-UHFFFAOYSA-N 1 0 457.546 4.613 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)CCCCC1 ZINC001462630797 1068118241 /nfs/dbraw/zinc/11/82/41/1068118241.db2.gz PHESLFYZDHMRST-AMGIVPHBSA-N 1 0 455.643 4.727 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1cc3nc(Cl)ccc3s1)CC2 ZINC001462632704 1068118814 /nfs/dbraw/zinc/11/88/14/1068118814.db2.gz KDXCUUFDWAFFAM-HNNXBMFYSA-N 1 0 452.020 4.846 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1cc3nc(Cl)ccc3s1)CC2 ZINC001462632713 1068118900 /nfs/dbraw/zinc/11/89/00/1068118900.db2.gz KDXCUUFDWAFFAM-OAHLLOKOSA-N 1 0 452.020 4.846 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)C2 ZINC001462638272 1068120906 /nfs/dbraw/zinc/12/09/06/1068120906.db2.gz RRSOXJPJVLVLEM-QCBQRGATSA-N 1 0 471.642 4.910 20 0 JJADRO CCOc1cc(C[NH2+]C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)cc(Br)c1O ZINC001462648706 1068123867 /nfs/dbraw/zinc/12/38/67/1068123867.db2.gz SZAIPJMLOFFTBB-INIZCTEOSA-N 1 0 457.409 4.823 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC001462654129 1068125247 /nfs/dbraw/zinc/12/52/47/1068125247.db2.gz LTOGOGAORRSLAG-XOBRGWDASA-N 1 0 461.347 4.930 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1C(F)(F)F ZINC001462727535 1068145253 /nfs/dbraw/zinc/14/52/53/1068145253.db2.gz FWOYWQXRYJDMJF-CYBMUJFWSA-N 1 0 457.855 4.551 20 0 JJADRO Cc1cc(Br)sc1S(=O)(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC001462826800 1068179137 /nfs/dbraw/zinc/17/91/37/1068179137.db2.gz WKPOIYIOVLKYNC-HNNXBMFYSA-N 1 0 457.459 4.672 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC001462829523 1068180814 /nfs/dbraw/zinc/18/08/14/1068180814.db2.gz HFELRLAULLDSME-HOTGVXAUSA-N 1 0 458.521 4.801 20 0 JJADRO COc1ccc2c(c1)C=C(S(=O)(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC001462830403 1068181975 /nfs/dbraw/zinc/18/19/75/1068181975.db2.gz KVXUXUAXSGNQME-PMACEKPBSA-N 1 0 454.636 4.580 20 0 JJADRO Cc1sc(Br)cc1S(=O)(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001462832026 1068182652 /nfs/dbraw/zinc/18/26/52/1068182652.db2.gz LCOUSAGSLVPHCT-CQSZACIVSA-N 1 0 457.459 4.672 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccc(F)cc3C(F)(F)F)cc2)C1 ZINC001462837372 1068185057 /nfs/dbraw/zinc/18/50/57/1068185057.db2.gz NXSSFZDPTHDBLE-HOTGVXAUSA-N 1 0 458.521 4.801 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)C1 ZINC001462838092 1068185115 /nfs/dbraw/zinc/18/51/15/1068185115.db2.gz OQMIKQMQCYEGTO-CALCHBBNSA-N 1 0 456.530 4.542 20 0 JJADRO CC1CC[NH+](CCCCNS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 ZINC001462842098 1068186879 /nfs/dbraw/zinc/18/68/79/1068186879.db2.gz CKSYRGLJYISQOA-UHFFFAOYSA-N 1 0 458.249 4.546 20 0 JJADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001462889737 1068204471 /nfs/dbraw/zinc/20/44/71/1068204471.db2.gz AXYBBVPGODBHMQ-UHFFFAOYSA-N 1 0 455.974 4.854 20 0 JJADRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894897 1068206544 /nfs/dbraw/zinc/20/65/44/1068206544.db2.gz GOCZKGPULNKXIX-MJGOQNOKSA-N 1 0 451.430 4.604 20 0 JJADRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894895 1068206680 /nfs/dbraw/zinc/20/66/80/1068206680.db2.gz GOCZKGPULNKXIX-HKUYNNGSSA-N 1 0 451.430 4.604 20 0 JJADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC001462904534 1068210309 /nfs/dbraw/zinc/21/03/09/1068210309.db2.gz CTTADOLYHLDJCR-NSHDSACASA-N 1 0 458.249 4.545 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)C[C@H]1CCCC(F)(F)C1 ZINC001462920076 1068214229 /nfs/dbraw/zinc/21/42/29/1068214229.db2.gz IZCIGPHVPCYBAQ-INIZCTEOSA-N 1 0 457.414 4.902 20 0 JJADRO Cc1csc([C@@H](C)NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC001463002509 1068245725 /nfs/dbraw/zinc/24/57/25/1068245725.db2.gz GTTIYPPFTXRLTL-VOQZNFBZSA-N 1 0 476.067 4.754 20 0 JJADRO C[C@@H]([NH2+]C1(CNS(=O)(=O)Cc2ccsc2Br)CCCC1)c1ccccc1 ZINC001463035638 1068258958 /nfs/dbraw/zinc/25/89/58/1068258958.db2.gz MWMLXPKSHAJGAQ-OAHLLOKOSA-N 1 0 457.459 4.594 20 0 JJADRO CC[C@H](NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)c1nc(C)cs1 ZINC001463055332 1068268117 /nfs/dbraw/zinc/26/81/17/1068268117.db2.gz LIFAGZLYCSWFFM-KMDXXIMOSA-N 1 0 469.676 4.799 20 0 JJADRO CC(C)C[C@@H](CNS(=O)(=O)c1c2ncsc2ccc1Cl)[NH2+][C@H](C)c1ccccc1 ZINC001463073767 1068277939 /nfs/dbraw/zinc/27/79/39/1068277939.db2.gz KICUAPYEHMMCRL-WBVHZDCISA-N 1 0 452.045 4.994 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1)CC1CC1 ZINC001546136590 1068288247 /nfs/dbraw/zinc/28/82/47/1068288247.db2.gz KQRUXCWJWDJTRY-DEOSSOPVSA-N 1 0 457.659 4.656 20 0 JJADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@@H](C)Oc2cccc(C)c2)cc1 ZINC001463126379 1068296135 /nfs/dbraw/zinc/29/61/35/1068296135.db2.gz DXZDPYKURVQNJG-KEKPKEOLSA-N 1 0 478.658 4.658 20 0 JJADRO O=S(=O)(c1ccc2ccccc2c1Br)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001463142643 1068301198 /nfs/dbraw/zinc/30/11/98/1068301198.db2.gz ZRDWMVNEDBQTBC-UHFFFAOYSA-N 1 0 459.409 4.893 20 0 JJADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2c(C)cccc2F)cc1 ZINC001463172467 1068309384 /nfs/dbraw/zinc/30/93/84/1068309384.db2.gz XWLJTSUKEORQQS-AZGAKELHSA-N 1 0 452.595 4.530 20 0 JJADRO O=C(Cc1cc(F)ccc1Br)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463178018 1068310703 /nfs/dbraw/zinc/31/07/03/1068310703.db2.gz XBSQUFJBPDRLLM-LADGPHEKSA-N 1 0 467.382 4.915 20 0 JJADRO CCCOc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C(C)(C)C ZINC001463186041 1068313625 /nfs/dbraw/zinc/31/36/25/1068313625.db2.gz KQLSTAVKJIELPT-QFIPXVFZSA-N 1 0 458.668 4.916 20 0 JJADRO CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264510 1068338765 /nfs/dbraw/zinc/33/87/65/1068338765.db2.gz CQOYDBQMJHRYMO-CXSMSNRLSA-N 1 0 458.693 4.557 20 0 JJADRO Cc1ccc(I)c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001463345182 1068364321 /nfs/dbraw/zinc/36/43/21/1068364321.db2.gz VJFJOCJUSOAMFE-HSALFYBXSA-N 1 0 474.386 4.630 20 0 JJADRO CCC1(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCCC1 ZINC001546138606 1068377230 /nfs/dbraw/zinc/37/72/30/1068377230.db2.gz HAMVXOQUVXPWDV-UHFFFAOYSA-N 1 0 494.606 4.710 20 0 JJADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001463384045 1068379811 /nfs/dbraw/zinc/37/98/11/1068379811.db2.gz WFUANJSWFWLNCR-UHFFFAOYSA-N 1 0 454.995 4.553 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NC(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)c1 ZINC001463388963 1068381293 /nfs/dbraw/zinc/38/12/93/1068381293.db2.gz CGHYFEDTBJJBLS-UHFFFAOYSA-N 1 0 450.558 4.781 20 0 JJADRO CC[N@H+](CCC1CCN(S(=O)(=O)Cc2cc(C)ccc2Br)CC1)CC(C)C ZINC001463389771 1068382023 /nfs/dbraw/zinc/38/20/23/1068382023.db2.gz CPBGSTBLABKSJO-UHFFFAOYSA-N 1 0 459.494 4.667 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)c1 ZINC001463398171 1068383906 /nfs/dbraw/zinc/38/39/06/1068383906.db2.gz VSDVOCMYADGWMW-JOCHJYFZSA-N 1 0 459.631 4.773 20 0 JJADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c2ccncc12 ZINC001463435176 1068396835 /nfs/dbraw/zinc/39/68/35/1068396835.db2.gz TVOVZAUKHJTSOA-HNNXBMFYSA-N 1 0 459.377 4.699 20 0 JJADRO C[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001463568425 1068448858 /nfs/dbraw/zinc/44/88/58/1068448858.db2.gz SPOWPKHHNZUKHZ-HXUWFJFHSA-N 1 0 459.556 4.697 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC001463569072 1068449718 /nfs/dbraw/zinc/44/97/18/1068449718.db2.gz BXXHRQFCNAQHJB-IBGZPJMESA-N 1 0 459.468 4.936 20 0 JJADRO C[N@H+](CCC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)C1CCCCC1 ZINC001463627697 1068473652 /nfs/dbraw/zinc/47/36/52/1068473652.db2.gz UFRKJJOZRRMFRP-UHFFFAOYSA-N 1 0 450.004 4.734 20 0 JJADRO CC1CCC(C)(CNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC001463637958 1068477580 /nfs/dbraw/zinc/47/75/80/1068477580.db2.gz AWGHPQXLQYAGQU-WGUWSQJSSA-N 1 0 458.643 4.930 20 0 JJADRO CC(C)N1C(=O)C[C@H](C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463707837 1068501605 /nfs/dbraw/zinc/50/16/05/1068501605.db2.gz BVNDTMWEWGQXBL-AVRDEDQJSA-N 1 0 452.014 4.548 20 0 JJADRO C[NH+](C)C1(CNC(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)CCCCCC1 ZINC001463714301 1068502679 /nfs/dbraw/zinc/50/26/79/1068502679.db2.gz ZPUXMSZQVQMTKK-UHFFFAOYSA-N 1 0 457.659 4.726 20 0 JJADRO O=C(NCCC[NH+]1CCCCC1)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001463748096 1068511498 /nfs/dbraw/zinc/51/14/98/1068511498.db2.gz QMKUBNOQGSDJBA-UHFFFAOYSA-N 1 0 454.924 4.639 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1S(=O)(=O)C1=Cc2ccccc2CC1 ZINC001463754497 1068513745 /nfs/dbraw/zinc/51/37/45/1068513745.db2.gz FVBVRBKMNBIEMI-AREMUKBSSA-N 1 0 452.664 4.969 20 0 JJADRO COc1cc(C)c(S(=O)(=O)N2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)cc1C ZINC001463756734 1068514291 /nfs/dbraw/zinc/51/42/91/1068514291.db2.gz UXBJPOUBUJHVJC-DEOSSOPVSA-N 1 0 458.668 4.666 20 0 JJADRO O=C(N[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1)OCc1ccccc1 ZINC001463759242 1068514874 /nfs/dbraw/zinc/51/48/74/1068514874.db2.gz BZGADPMHSIDWAB-FTJBHMTQSA-N 1 0 457.574 4.607 20 0 JJADRO O=C(NCCC[NH+]1CCCCCC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001463760169 1068515516 /nfs/dbraw/zinc/51/55/16/1068515516.db2.gz GKQWYAGMDGKXOM-UHFFFAOYSA-N 1 0 459.516 4.678 20 0 JJADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001463766970 1068517641 /nfs/dbraw/zinc/51/76/41/1068517641.db2.gz VNRUTNFCLPEMMU-HXUWFJFHSA-N 1 0 454.368 4.979 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)[NH+](C)C)c1 ZINC001463769450 1068518755 /nfs/dbraw/zinc/51/87/55/1068518755.db2.gz OXAMOBQFDYXLOY-QGZVFWFLSA-N 1 0 450.379 4.645 20 0 JJADRO CCOc1ccc([C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c2c[nH]c3ccccc32)cc1OC ZINC001463811559 1068533262 /nfs/dbraw/zinc/53/32/62/1068533262.db2.gz QHHOALROPGSKSB-NRFANRHFSA-N 1 0 451.611 4.801 20 0 JJADRO O=C(CC(C1CCC1)C1CCC1)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463838104 1068542540 /nfs/dbraw/zinc/54/25/40/1068542540.db2.gz DJWKSTVVJFUBAO-UHFFFAOYSA-N 1 0 451.577 4.940 20 0 JJADRO Cc1[nH]c2ccc(C(=O)NCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1C ZINC001463839069 1068543140 /nfs/dbraw/zinc/54/31/40/1068543140.db2.gz KELPGJIDRXRWMF-UHFFFAOYSA-N 1 0 458.528 4.746 20 0 JJADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001463842675 1068545235 /nfs/dbraw/zinc/54/52/35/1068545235.db2.gz YSBXVQFWVQNDLV-QHAWAJNXSA-N 1 0 451.577 4.940 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC001463864017 1068550275 /nfs/dbraw/zinc/55/02/75/1068550275.db2.gz UXJAQGODJKDUND-UHFFFAOYSA-N 1 0 456.590 4.745 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)Cn1c2ccccc2nc1-c1ccccc1)c1cccc(OC)c1 ZINC001463911010 1068562788 /nfs/dbraw/zinc/56/27/88/1068562788.db2.gz DNKAYMFQHJSKNN-AREMUKBSSA-N 1 0 456.590 4.911 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC001463911707 1068562948 /nfs/dbraw/zinc/56/29/48/1068562948.db2.gz FMNRLFQJCYOTEB-QHCPKHFHSA-N 1 0 459.565 4.915 20 0 JJADRO CC[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC001464097205 1068614103 /nfs/dbraw/zinc/61/41/03/1068614103.db2.gz GNZBOLYENGTULG-HXUWFJFHSA-N 1 0 454.368 4.671 20 0 JJADRO O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001464099090 1068614694 /nfs/dbraw/zinc/61/46/94/1068614694.db2.gz XVYBAYZUEOPWDD-YFHOEESVSA-N 1 0 451.920 4.701 20 0 JJADRO Cc1sc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1-c1ccc(F)cc1 ZINC001464100674 1068615496 /nfs/dbraw/zinc/61/54/96/1068615496.db2.gz VQIJJEWNANEUKY-DEOSSOPVSA-N 1 0 451.611 4.971 20 0 JJADRO CC[C@@H](CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC001464101659 1068616071 /nfs/dbraw/zinc/61/60/71/1068616071.db2.gz QXROTIUKIWUOJY-FQEVSTJZSA-N 1 0 457.018 4.827 20 0 JJADRO CC[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001464103066 1068616759 /nfs/dbraw/zinc/61/67/59/1068616759.db2.gz XGKUSUIODUXEIM-DNQXCXABSA-N 1 0 457.659 4.803 20 0 JJADRO CC[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001464103375 1068616840 /nfs/dbraw/zinc/61/68/40/1068616840.db2.gz YIOOIWWBVOWOGW-ZEQRLZLVSA-N 1 0 451.611 4.514 20 0 JJADRO Cc1cccc(C2(C(=O)NCCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)c1 ZINC001464120201 1068621870 /nfs/dbraw/zinc/62/18/70/1068621870.db2.gz JNCDLOWCFMPWIM-UHFFFAOYSA-N 1 0 459.556 4.764 20 0 JJADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccn3)cc2)CC1 ZINC001464123541 1068623148 /nfs/dbraw/zinc/62/31/48/1068623148.db2.gz OWOXAIDJZIPIJA-UHFFFAOYSA-N 1 0 454.496 4.767 20 0 JJADRO Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC001464122989 1068623167 /nfs/dbraw/zinc/62/31/67/1068623167.db2.gz RZNZEVTYHCUAJL-FGZHOGPDSA-N 1 0 456.586 4.765 20 0 JJADRO COc1ccccc1C(C)(C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001464126116 1068624388 /nfs/dbraw/zinc/62/43/88/1068624388.db2.gz RVUSXWLYKXVZDG-UHFFFAOYSA-N 1 0 457.618 4.611 20 0 JJADRO Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC001464131395 1068627655 /nfs/dbraw/zinc/62/76/55/1068627655.db2.gz BZWLLIIMCQGTQC-UHFFFAOYSA-N 1 0 457.500 4.620 20 0 JJADRO CC(C)[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2)[NH+]1CCC(C)CC1 ZINC001464139884 1068631822 /nfs/dbraw/zinc/63/18/22/1068631822.db2.gz WCWDXRJUPIJSRE-HSZRJFAPSA-N 1 0 453.652 4.975 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3(c4cccc(Cl)c4)CCCCC3)cc2)CC1 ZINC001464157846 1068636972 /nfs/dbraw/zinc/63/69/72/1068636972.db2.gz JBDVOSHJAIHQLI-UHFFFAOYSA-N 1 0 454.058 4.996 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001464157978 1068637101 /nfs/dbraw/zinc/63/71/01/1068637101.db2.gz NXFCNKISYHMKRT-AJTFRIOCSA-N 1 0 455.602 4.849 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)C1 ZINC001464193577 1068651034 /nfs/dbraw/zinc/65/10/34/1068651034.db2.gz LNYYGUZODWZQBU-IECBHUPTSA-N 1 0 452.620 4.502 20 0 JJADRO CSCc1nc2ccccc2n1CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001464194373 1068651555 /nfs/dbraw/zinc/65/15/55/1068651555.db2.gz MXZBHLSUWOOKHF-WOJBJXKFSA-N 1 0 450.652 4.694 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001464197124 1068652206 /nfs/dbraw/zinc/65/22/06/1068652206.db2.gz AAENKUKBVPNLHY-JOCHJYFZSA-N 1 0 453.583 4.885 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3csc(CCC(F)(F)F)n3)cc2)C1 ZINC001464210388 1068659254 /nfs/dbraw/zinc/65/92/54/1068659254.db2.gz KAXXCBLWGXWXFL-IRXDYDNUSA-N 1 0 453.574 4.975 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)C1 ZINC001464220207 1068662493 /nfs/dbraw/zinc/66/24/93/1068662493.db2.gz QZANVYYNHQTDLO-HOTGVXAUSA-N 1 0 456.940 4.701 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)C1 ZINC001464221701 1068663174 /nfs/dbraw/zinc/66/31/74/1068663174.db2.gz XMMWQNXLMFZLKC-MZKRTTBSSA-N 1 0 457.659 4.729 20 0 JJADRO Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@H]3CCC[N@@H+](C(C)C)C3)cc2)cc1 ZINC001464223751 1068664380 /nfs/dbraw/zinc/66/43/80/1068664380.db2.gz PEEVJMFFPWNREO-QHCPKHFHSA-N 1 0 451.611 4.529 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC001464249762 1068675362 /nfs/dbraw/zinc/67/53/62/1068675362.db2.gz NVVGHVXHEHREFM-JOCHJYFZSA-N 1 0 450.627 4.645 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCC3(F)F)cc2)CC1 ZINC001464250373 1068675873 /nfs/dbraw/zinc/67/58/73/1068675873.db2.gz VRUQUQXPCXSGHP-HXUWFJFHSA-N 1 0 451.558 4.749 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC1 ZINC001464276417 1068686151 /nfs/dbraw/zinc/68/61/51/1068686151.db2.gz ZEGYSVXZBLJPLS-UHFFFAOYSA-N 1 0 456.512 4.653 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001464278024 1068687431 /nfs/dbraw/zinc/68/74/31/1068687431.db2.gz WVYZQBBKVHPYBH-RLWLMLJZSA-N 1 0 456.652 4.835 20 0 JJADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC001464284479 1068691468 /nfs/dbraw/zinc/69/14/68/1068691468.db2.gz XLDJPSCULICNEH-UHFFFAOYSA-N 1 0 453.936 4.687 20 0 JJADRO C[C@H](C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464299949 1068696975 /nfs/dbraw/zinc/69/69/75/1068696975.db2.gz QPAKBJDQYAUHFJ-URXFXBBRSA-N 1 0 453.627 4.521 20 0 JJADRO C[C@@H](C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464299983 1068697645 /nfs/dbraw/zinc/69/76/45/1068697645.db2.gz QPAKBJDQYAUHFJ-ZJSXRUAMSA-N 1 0 453.627 4.521 20 0 JJADRO Cc1nc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)sc1Cc1ccc(F)cc1 ZINC001464307098 1068699603 /nfs/dbraw/zinc/69/96/03/1068699603.db2.gz AUSFPRZVUFTELD-UHFFFAOYSA-N 1 0 453.583 4.638 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC001464342509 1068713065 /nfs/dbraw/zinc/71/30/65/1068713065.db2.gz ZXJCEZOTERAJDD-WWNPGLIZSA-N 1 0 473.658 4.812 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)C1 ZINC001464365653 1068720418 /nfs/dbraw/zinc/72/04/18/1068720418.db2.gz VFAZDPBMRGZCQF-KRWDZBQOSA-N 1 0 456.662 4.637 20 0 JJADRO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC001464375207 1068723583 /nfs/dbraw/zinc/72/35/83/1068723583.db2.gz CNHFTVABHSOQMP-HXUWFJFHSA-N 1 0 456.428 4.691 20 0 JJADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC001464375200 1068723671 /nfs/dbraw/zinc/72/36/71/1068723671.db2.gz CNHFTVABHSOQMP-FQEVSTJZSA-N 1 0 456.428 4.691 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001464399968 1068732514 /nfs/dbraw/zinc/73/25/14/1068732514.db2.gz DRELXMHYJGJPGM-ISKFKSNPSA-N 1 0 458.643 4.594 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001464399992 1068732603 /nfs/dbraw/zinc/73/26/03/1068732603.db2.gz DRELXMHYJGJPGM-UPVQGACJSA-N 1 0 458.643 4.594 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001464399593 1068733149 /nfs/dbraw/zinc/73/31/49/1068733149.db2.gz LFYJOACFXYNWFZ-WXFUMESZSA-N 1 0 455.643 4.754 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)COc2ccccc2OCC(F)(F)F)c2ccccc2)CC1 ZINC001464405210 1068734673 /nfs/dbraw/zinc/73/46/73/1068734673.db2.gz XRGJDLOGKPLNLE-FQEVSTJZSA-N 1 0 450.501 4.596 20 0 JJADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001464412795 1068737237 /nfs/dbraw/zinc/73/72/37/1068737237.db2.gz GWEAGVMPNPKCBF-ZSTWQFLISA-N 1 0 456.030 4.684 20 0 JJADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC001464421070 1068739308 /nfs/dbraw/zinc/73/93/08/1068739308.db2.gz YLLXYFHALBZYCC-INIZCTEOSA-N 1 0 455.382 4.548 20 0 JJADRO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001464452169 1068751257 /nfs/dbraw/zinc/75/12/57/1068751257.db2.gz OHCVJEQSXVVBAO-QGZVFWFLSA-N 1 0 451.640 4.705 20 0 JJADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001464452435 1068751330 /nfs/dbraw/zinc/75/13/30/1068751330.db2.gz ORKVNMWQLNCAOK-QIJUGHKUSA-N 1 0 478.077 4.917 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001464469568 1068758235 /nfs/dbraw/zinc/75/82/35/1068758235.db2.gz QAMUOSDUPFQRNG-RZUBCFFCSA-N 1 0 451.696 4.970 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)C12CCC(C(=O)OC)(CC1)CC2)c1ccc(C(F)(F)F)cc1 ZINC001464492160 1068765097 /nfs/dbraw/zinc/76/50/97/1068765097.db2.gz IORZYCHABUJLJA-BVVFMGSASA-N 1 0 454.533 4.718 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001464534869 1068774463 /nfs/dbraw/zinc/77/44/63/1068774463.db2.gz CILLUHOWWYUGNP-UHFFFAOYSA-N 1 0 457.659 4.823 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C)[NH+](C)C ZINC001464537978 1068775740 /nfs/dbraw/zinc/77/57/40/1068775740.db2.gz HRFQLAJXDKWRNO-YDFBLROQSA-N 1 0 451.442 4.997 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)[NH+]2CCCC2)cc1 ZINC001464583686 1068791316 /nfs/dbraw/zinc/79/13/16/1068791316.db2.gz JVMBMIFBEQSYPL-IBGZPJMESA-N 1 0 453.384 4.715 20 0 JJADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001464589250 1068792740 /nfs/dbraw/zinc/79/27/40/1068792740.db2.gz TXGNLLLGDWNPQQ-OAHLLOKOSA-N 1 0 453.421 4.857 20 0 JJADRO CC[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001464609728 1068798172 /nfs/dbraw/zinc/79/81/72/1068798172.db2.gz RXEKVKBWJNSGHA-JOCHJYFZSA-N 1 0 452.990 4.959 20 0 JJADRO CC[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001464609733 1068798283 /nfs/dbraw/zinc/79/82/83/1068798283.db2.gz RXEKVKBWJNSGHA-QFIPXVFZSA-N 1 0 452.990 4.959 20 0 JJADRO O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001464667383 1068817951 /nfs/dbraw/zinc/81/79/51/1068817951.db2.gz NIVQETXZKVBGHZ-UHFFFAOYSA-N 1 0 457.405 4.960 20 0 JJADRO O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1c(Cl)cccc1Cl ZINC001464710306 1068834176 /nfs/dbraw/zinc/83/41/76/1068834176.db2.gz VKSRYPDWIWSAGE-SIKLNZKXSA-N 1 0 461.414 4.940 20 0 JJADRO COc1ccc(C(=O)C2CC[NH+](C[C@@H](O)COc3cccc4[nH]c5ccccc5c43)CC2)cc1 ZINC000049034900 563198615 /nfs/dbraw/zinc/19/86/15/563198615.db2.gz NRJOGQSIFAHXIH-OAQYLSRUSA-N 1 0 458.558 4.664 20 0 JJADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164388130 718803230 /nfs/dbraw/zinc/80/32/30/718803230.db2.gz UIUKHVBRUCDLAX-UHFFFAOYSA-N 1 0 485.362 4.798 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2c1C ZINC001164414459 718881482 /nfs/dbraw/zinc/88/14/82/718881482.db2.gz UNYBBKJBPNPPCF-QGZVFWFLSA-N 1 0 467.605 4.947 20 0 JJADRO F[C@]1(N2CCCC[C@@H]2C2CC[NH2+]CC2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164418564 718892158 /nfs/dbraw/zinc/89/21/58/718892158.db2.gz PADZTHPLRFEGSQ-YKSBVNFPSA-N 1 0 478.443 4.776 20 0 JJADRO F[C@@]1(N2CCCC[C@H]2C2CC[NH2+]CC2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164418555 718892213 /nfs/dbraw/zinc/89/22/13/718892213.db2.gz PADZTHPLRFEGSQ-GBXCKJPGSA-N 1 0 478.443 4.776 20 0 JJADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)cnc1Cl ZINC001164423466 718918325 /nfs/dbraw/zinc/91/83/25/718918325.db2.gz HDVUUJMNFNVEQO-FQEVSTJZSA-N 1 0 491.888 4.551 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccc(OC)cc4)nc4ccc(F)cc43)CC2)CC1 ZINC001164613876 719024000 /nfs/dbraw/zinc/02/40/00/719024000.db2.gz IQISJUUROGQHHZ-UHFFFAOYSA-N 1 0 492.595 4.688 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC2)CC1 ZINC001164616470 719034110 /nfs/dbraw/zinc/03/41/10/719034110.db2.gz CWIIKWUQHASBOB-UHFFFAOYSA-N 1 0 478.971 4.586 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3ccccc3CC)CC2)CC1 ZINC001164616354 719035237 /nfs/dbraw/zinc/03/52/37/719035237.db2.gz AHKYSNOVNRTGFZ-UHFFFAOYSA-N 1 0 473.017 4.729 20 0 JJADRO CN(C)C(=O)CO[C@@H]1CCC2(CC[NH+](C(C)(C)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164634214 719140987 /nfs/dbraw/zinc/14/09/87/719140987.db2.gz UBKUBXYODCVNTJ-JOCHJYFZSA-N 1 0 456.030 4.944 20 0 JJADRO COc1ccc(-c2csc3nc(-c4cccnc4)nc(N4C[C@H](C)[N@H+](C)C[C@H]4C)c23)cc1OC ZINC001164635971 719237404 /nfs/dbraw/zinc/23/74/04/719237404.db2.gz RODRCUTWVCKEGG-DLBZAZTESA-N 1 0 475.618 4.966 20 0 JJADRO CC(C)N(c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3)c1ncnc2c1CC[NH2+]CC2 ZINC001164663558 719345185 /nfs/dbraw/zinc/34/51/85/719345185.db2.gz YFABULWQZYZLBB-UHFFFAOYSA-N 1 0 491.709 4.581 20 0 JJADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c1CC[NH2+]C2 ZINC001164685090 719623595 /nfs/dbraw/zinc/62/35/95/719623595.db2.gz ZSPKRFRWAJPXSP-UHFFFAOYSA-N 1 0 474.012 4.531 20 0 JJADRO CC(C)N(C)Cc1nn(-c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c2c1CC[NH2+]C2 ZINC001164679760 719637634 /nfs/dbraw/zinc/63/76/34/719637634.db2.gz MHOZWIGBMSBXLV-UHFFFAOYSA-N 1 0 477.616 4.759 20 0 JJADRO CC(C)N(C)Cc1nn(-c2nc(C3CC3)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164680127 719644239 /nfs/dbraw/zinc/64/42/39/719644239.db2.gz OZVBFBLCBNWGGF-UHFFFAOYSA-N 1 0 458.635 4.907 20 0 JJADRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)c2c1CC[NH2+]C2 ZINC001164680191 719644991 /nfs/dbraw/zinc/64/49/91/719644991.db2.gz RVPJUIQXWGTQPH-UHFFFAOYSA-N 1 0 475.971 4.594 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)cnc2Cl)c1 ZINC001164684398 719653154 /nfs/dbraw/zinc/65/31/54/719653154.db2.gz XGVQKHCOKDZLAZ-UHFFFAOYSA-N 1 0 459.972 4.990 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)cnc2Cl)c1 ZINC001164681889 719653889 /nfs/dbraw/zinc/65/38/89/719653889.db2.gz SBLHKIYDGJFFSN-UHFFFAOYSA-N 1 0 475.971 4.691 20 0 JJADRO Cc1ccc2nc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ccc2c1 ZINC001164682126 719656245 /nfs/dbraw/zinc/65/62/45/719656245.db2.gz SMBXCATXZVGYPJ-HSZRJFAPSA-N 1 0 456.634 4.637 20 0 JJADRO Cc1cc2c(nc(Cl)nc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)s1 ZINC001164683959 719664102 /nfs/dbraw/zinc/66/41/02/719664102.db2.gz VUAIBNSIYBSQPK-SFHVURJKSA-N 1 0 498.096 4.747 20 0 JJADRO CSc1nc2ccsc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686834 719667000 /nfs/dbraw/zinc/66/70/00/719667000.db2.gz XJACHEKTAWKPME-GOSISDBHSA-N 1 0 495.718 4.507 20 0 JJADRO Cc1cccc2c1ccnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684211 719669020 /nfs/dbraw/zinc/66/90/20/719669020.db2.gz SNNNHAICDNPLJO-QFIPXVFZSA-N 1 0 456.634 4.637 20 0 JJADRO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680007 719673660 /nfs/dbraw/zinc/67/36/60/719673660.db2.gz ASGCDCUURUNTNA-IBGZPJMESA-N 1 0 491.026 4.682 20 0 JJADRO Cc1cccc2nc(Cl)nc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164686863 719674203 /nfs/dbraw/zinc/67/42/03/719674203.db2.gz YNCXETRVFBVSIK-HXUWFJFHSA-N 1 0 492.067 4.685 20 0 JJADRO Cc1ccc(C)c(-c2ccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)c1 ZINC001164680486 719678381 /nfs/dbraw/zinc/67/83/81/719678381.db2.gz GKTHMWMNUSWDDF-DEOSSOPVSA-N 1 0 497.687 4.854 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3c(F)ccc4c(Cl)ncnc43)CC2)c2ccccc21 ZINC001164684549 719682593 /nfs/dbraw/zinc/68/25/93/719682593.db2.gz JGEFEMYBMGVLDF-SFHVURJKSA-N 1 0 496.030 4.516 20 0 JJADRO COC(=O)C[C@@H](c1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1)C1CC1 ZINC001164692654 719812652 /nfs/dbraw/zinc/81/26/52/719812652.db2.gz QTONMAIYXWOJOV-JOCHJYFZSA-N 1 0 454.640 4.538 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C(=O)NC4CCCC4)cc2Cl)CC3)cs1 ZINC001164693566 719813999 /nfs/dbraw/zinc/81/39/99/719813999.db2.gz WIWDKGRMUXKDIH-UHFFFAOYSA-N 1 0 474.074 4.807 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)cnc43)CC2)nc1 ZINC001164695060 719830560 /nfs/dbraw/zinc/83/05/60/719830560.db2.gz ATFXVYLGJNMJOC-DEOSSOPVSA-N 1 0 484.648 4.533 20 0 JJADRO Cc1cccc(Sc2cncc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164697621 719895863 /nfs/dbraw/zinc/89/58/63/719895863.db2.gz MCWFTNJIQLSHIN-UHFFFAOYSA-N 1 0 452.649 4.869 20 0 JJADRO CSc1ccc(Oc2cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ncn2)cc1 ZINC001164699070 719895873 /nfs/dbraw/zinc/89/58/73/719895873.db2.gz WSDDSWVJSRLFJD-UHFFFAOYSA-N 1 0 468.648 4.924 20 0 JJADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707342 719899079 /nfs/dbraw/zinc/89/90/79/719899079.db2.gz PTEDSHZZWBMXAC-UHFFFAOYSA-N 1 0 458.990 4.869 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)C2 ZINC001164808474 720092417 /nfs/dbraw/zinc/09/24/17/720092417.db2.gz HQTRRLIAGYESDY-WINIVTDRSA-N 1 0 464.560 4.760 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c(OC)cccc13)CC2 ZINC001164709748 720093880 /nfs/dbraw/zinc/09/38/80/720093880.db2.gz CSSWHSKISBKPJB-FQEVSTJZSA-N 1 0 467.013 4.799 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164719460 720114235 /nfs/dbraw/zinc/11/42/35/720114235.db2.gz XGPJCXTXDAFUNB-FQEVSTJZSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164719547 720117928 /nfs/dbraw/zinc/11/79/28/720117928.db2.gz YUFVDTODHBDHQQ-LJQANCHMSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164718062 720119128 /nfs/dbraw/zinc/11/91/28/720119128.db2.gz RHNIKHRVHOWXKB-JOCHJYFZSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164718592 720120580 /nfs/dbraw/zinc/12/05/80/720120580.db2.gz SYDZNENBVOWTBE-HSZRJFAPSA-N 1 0 494.039 4.612 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164816144 720123181 /nfs/dbraw/zinc/12/31/81/720123181.db2.gz XSOALVWGGURBCS-KKSFZXQISA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)C2 ZINC001164810495 720130606 /nfs/dbraw/zinc/13/06/06/720130606.db2.gz JXOMPBQKIMIDSJ-VAVYLYDRSA-N 1 0 457.618 4.999 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3F)nc3ccc(C)cc31)C2 ZINC001164806998 720131857 /nfs/dbraw/zinc/13/18/57/720131857.db2.gz ADBFZMCALFBGAM-RBTNQOKQSA-N 1 0 460.597 4.929 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164710521 720135420 /nfs/dbraw/zinc/13/54/20/720135420.db2.gz CBLZRWIAKRWXJR-LJQANCHMSA-N 1 0 475.971 4.664 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164712668 720146204 /nfs/dbraw/zinc/14/62/04/720146204.db2.gz OETDWCRGACLNHE-QFIPXVFZSA-N 1 0 482.003 4.839 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(C)(C)C)nc(C(C)C)n1)CC2 ZINC001164713572 720148472 /nfs/dbraw/zinc/14/84/72/720148472.db2.gz SDMAMJPABRNFIY-QFIPXVFZSA-N 1 0 451.659 4.800 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164714087 720155831 /nfs/dbraw/zinc/15/58/31/720155831.db2.gz OLVUMZBBGOAXEO-NRFANRHFSA-N 1 0 476.999 4.758 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3cc(Cl)ncc3cc1OC)CC2 ZINC001164716224 720157760 /nfs/dbraw/zinc/15/77/60/720157760.db2.gz ZAQFCNTWTZCTFC-QFIPXVFZSA-N 1 0 467.013 4.799 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164815080 720182338 /nfs/dbraw/zinc/18/23/38/720182338.db2.gz HWZCTTOZNNHWPE-REWPJTCUSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816894 720187081 /nfs/dbraw/zinc/18/70/81/720187081.db2.gz NOSFGRDYSLWKBA-RBISFHTESA-N 1 0 491.705 4.605 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)C2 ZINC001164814672 720203169 /nfs/dbraw/zinc/20/31/69/720203169.db2.gz WANOYKZHJLBOIF-GBXCKJPGSA-N 1 0 476.999 4.835 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164815184 720203187 /nfs/dbraw/zinc/20/31/87/720203187.db2.gz WUWBSXSAJIBRHQ-MBSDFSHPSA-N 1 0 480.962 4.666 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)C2 ZINC001164814587 720204168 /nfs/dbraw/zinc/20/41/68/720204168.db2.gz UUNYPCFCBZLGKL-YKSBVNFPSA-N 1 0 476.999 4.835 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164810323 720206002 /nfs/dbraw/zinc/20/60/02/720206002.db2.gz CBRRUDYELJCJBR-XMSQKQJNSA-N 1 0 451.945 4.725 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)CCC2 ZINC001164813425 720217580 /nfs/dbraw/zinc/21/75/80/720217580.db2.gz LXEVYDGTOFLIHY-UHFFFAOYSA-N 1 0 480.616 4.618 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccccc3)nc3ccc(Cl)cc32)CC1 ZINC001164823862 720325277 /nfs/dbraw/zinc/32/52/77/720325277.db2.gz BMFYCUDTTFQZGG-JWQCQUIFSA-N 1 0 490.051 4.862 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164825387 720327228 /nfs/dbraw/zinc/32/72/28/720327228.db2.gz DLAUQSSKWCKIAP-IZZNHLLZSA-N 1 0 469.633 4.517 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)s1 ZINC001164829619 720342838 /nfs/dbraw/zinc/34/28/38/720342838.db2.gz SVJHCUQAEVKJOY-DHIUTWEWSA-N 1 0 475.662 4.578 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164725619 720359898 /nfs/dbraw/zinc/35/98/98/720359898.db2.gz OKGRWNQHSOGERA-RPBOFIJWSA-N 1 0 455.537 4.693 20 0 JJADRO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730926 720433347 /nfs/dbraw/zinc/43/33/47/720433347.db2.gz JUBFXCZRUVUPTN-YADHBBJMSA-N 1 0 468.630 4.880 20 0 JJADRO c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731519 720440916 /nfs/dbraw/zinc/44/09/16/720440916.db2.gz LKWVYERWTGUIKD-DHIUTWEWSA-N 1 0 488.705 4.804 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725774 720496760 /nfs/dbraw/zinc/49/67/60/720496760.db2.gz KDZVELVOFGFTBO-DUFKRMHYSA-N 1 0 482.644 4.882 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccccc3)nc(Cl)c2-c2ccccc2)C1 ZINC001164726746 720514827 /nfs/dbraw/zinc/51/48/27/720514827.db2.gz DMKZJWYHYWKWLJ-IBGZPJMESA-N 1 0 458.997 4.859 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c32)C1 ZINC001164733040 720524468 /nfs/dbraw/zinc/52/44/68/720524468.db2.gz IJQYYQDRZDIVNJ-LJQANCHMSA-N 1 0 481.629 4.815 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)C1 ZINC001164735535 720535658 /nfs/dbraw/zinc/53/56/58/720535658.db2.gz PCJYPUKOUSDXTA-HNNXBMFYSA-N 1 0 466.363 4.995 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164838445 720537321 /nfs/dbraw/zinc/53/73/21/720537321.db2.gz NWAGFLIOJBYTLR-ZNZIZOMTSA-N 1 0 479.632 4.780 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164732696 720548700 /nfs/dbraw/zinc/54/87/00/720548700.db2.gz DQHGMCACGYOQMW-QGZVFWFLSA-N 1 0 468.951 4.997 20 0 JJADRO c1csc(-c2nc3sc4c(c3c(N3CCc5ncc(C[NH+]6CCCC6)n5CC3)n2)CCC4)c1 ZINC001164737018 720583176 /nfs/dbraw/zinc/58/31/76/720583176.db2.gz YSRUWUCFDICJCX-UHFFFAOYSA-N 1 0 476.675 4.764 20 0 JJADRO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736675 720587561 /nfs/dbraw/zinc/58/75/61/720587561.db2.gz QOSDBXUCDNQHOZ-UHFFFAOYSA-N 1 0 487.982 4.714 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)CC[C@@H]21 ZINC001164835601 720609378 /nfs/dbraw/zinc/60/93/78/720609378.db2.gz BRZWGMIVJMRTLZ-UWVAXJGDSA-N 1 0 476.959 4.509 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(F)ccc3-c3ccc(Cl)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838836 720620122 /nfs/dbraw/zinc/62/01/22/720620122.db2.gz MAUREGJNADPLEH-LQBOVUBWSA-N 1 0 454.981 4.510 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(F)ccc3-c3ccc(Cl)nn3)CC[C@@H]21 ZINC001164838832 720620600 /nfs/dbraw/zinc/62/06/00/720620600.db2.gz MAUREGJNADPLEH-JLMWRMLUSA-N 1 0 454.981 4.510 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836602 720629987 /nfs/dbraw/zinc/62/99/87/720629987.db2.gz FXYJXJNDPLRIQR-UNWVZKJWSA-N 1 0 486.998 4.916 20 0 JJADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164841950 720643913 /nfs/dbraw/zinc/64/39/13/720643913.db2.gz RGRSTOHZTQGOKY-CNNODRBYSA-N 1 0 483.016 4.505 20 0 JJADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838829 720651260 /nfs/dbraw/zinc/65/12/60/720651260.db2.gz HRMDSADDELZYQM-LVCYWYKZSA-N 1 0 457.981 4.610 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164838287 720661196 /nfs/dbraw/zinc/66/11/96/720661196.db2.gz HAKIXGOKUKZCGJ-INIZCTEOSA-N 1 0 457.352 4.588 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164841068 720661509 /nfs/dbraw/zinc/66/15/09/720661509.db2.gz PCMSYQUSTDRRBQ-INIZCTEOSA-N 1 0 457.352 4.588 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1Cl ZINC001164838326 720674215 /nfs/dbraw/zinc/67/42/15/720674215.db2.gz HDTLIZKJZFBZIW-SFHVURJKSA-N 1 0 478.420 4.825 20 0 JJADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840423 720688232 /nfs/dbraw/zinc/68/82/32/720688232.db2.gz DRGKBYONXQWBHH-FQEVSTJZSA-N 1 0 495.023 4.720 20 0 JJADRO COc1cccc2c1nc(Cl)nc2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842650 720688614 /nfs/dbraw/zinc/68/86/14/720688614.db2.gz MBCUNERRRPSQTK-IBGZPJMESA-N 1 0 452.986 4.552 20 0 JJADRO COc1ccc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164844898 720689512 /nfs/dbraw/zinc/68/95/12/720689512.db2.gz VZQQBQZJJSHRGF-GOSISDBHSA-N 1 0 451.945 4.548 20 0 JJADRO COc1ccc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164845418 720696801 /nfs/dbraw/zinc/69/68/01/720696801.db2.gz ZIGBMKOCHLOZIF-SFHVURJKSA-N 1 0 451.945 4.548 20 0 JJADRO Cc1nc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)c1C ZINC001164843311 720699472 /nfs/dbraw/zinc/69/94/72/720699472.db2.gz NIPWCKGCVAKIOT-LJQANCHMSA-N 1 0 450.961 4.552 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164836449 720705733 /nfs/dbraw/zinc/70/57/33/720705733.db2.gz ASDGTJPKNAWEFO-DEOSSOPVSA-N 1 0 463.025 4.981 20 0 JJADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840293 720709054 /nfs/dbraw/zinc/70/90/54/720709054.db2.gz OQRUEUODISCKOE-HXUWFJFHSA-N 1 0 454.018 4.926 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164838209 720713981 /nfs/dbraw/zinc/71/39/81/720713981.db2.gz HPMWCVWUPFDYAV-IBGZPJMESA-N 1 0 462.972 4.812 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164838210 720714082 /nfs/dbraw/zinc/71/40/82/720714082.db2.gz HPMWCVWUPFDYAV-LJQANCHMSA-N 1 0 462.972 4.812 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164839730 720714501 /nfs/dbraw/zinc/71/45/01/720714501.db2.gz MRGWBIKCCVUUAC-HSZRJFAPSA-N 1 0 483.056 4.667 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164842868 720717052 /nfs/dbraw/zinc/71/70/52/720717052.db2.gz ZPFNAKNAFYVRDR-AREMUKBSSA-N 1 0 471.601 4.699 20 0 JJADRO Cc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc(Cl)nc2)n1 ZINC001164839624 720722481 /nfs/dbraw/zinc/72/24/81/720722481.db2.gz MFQUKONFPOIHKN-JOCHJYFZSA-N 1 0 464.013 4.760 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838844 720737785 /nfs/dbraw/zinc/73/77/85/720737785.db2.gz YJSZSFWYQYQQMG-UHFFFAOYSA-N 1 0 458.944 4.591 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)nc1 ZINC001164844345 720780082 /nfs/dbraw/zinc/78/00/82/720780082.db2.gz BMTJOBIMMMYBMY-POTDNYQPSA-N 1 0 450.627 4.757 20 0 JJADRO Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)C2=O)c1 ZINC001164852347 720809158 /nfs/dbraw/zinc/80/91/58/720809158.db2.gz NFHGYZCUFBGGOB-VWLOTQADSA-N 1 0 486.994 4.594 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1Cl ZINC001164739208 720820111 /nfs/dbraw/zinc/82/01/11/720820111.db2.gz HSGBENPVIYIOPZ-MELADBBJSA-N 1 0 476.239 4.666 20 0 JJADRO c1ncn(C[C@H]2C[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164737704 720826928 /nfs/dbraw/zinc/82/69/28/720826928.db2.gz CDRAZVYFMXSGIM-OYUWMTPXSA-N 1 0 491.643 4.782 20 0 JJADRO COC[C@]12CCCO[C@@H]1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164846024 720827248 /nfs/dbraw/zinc/82/72/48/720827248.db2.gz COUCEAPTAYEJRE-SHQCIBLASA-N 1 0 498.067 4.778 20 0 JJADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748302 720837478 /nfs/dbraw/zinc/83/74/78/720837478.db2.gz SXCUKBITBKPMLH-MBOZVWFJSA-N 1 0 487.435 4.521 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164750281 720845707 /nfs/dbraw/zinc/84/57/07/720845707.db2.gz WYSCEFBHGBUKPJ-ONBPZOJHSA-N 1 0 479.632 4.576 20 0 JJADRO Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164754320 720871600 /nfs/dbraw/zinc/87/16/00/720871600.db2.gz REEXZNFSPFAKHB-VWNXMTODSA-N 1 0 476.999 4.738 20 0 JJADRO Cc1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164754314 720871809 /nfs/dbraw/zinc/87/18/09/720871809.db2.gz REEXZNFSPFAKHB-ISKFKSNPSA-N 1 0 476.999 4.738 20 0 JJADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164751637 720882324 /nfs/dbraw/zinc/88/23/24/720882324.db2.gz DAHMFMBANHZHIZ-NLFFAJNJSA-N 1 0 484.069 4.803 20 0 JJADRO CSc1cc(Cl)ncc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757505 720884922 /nfs/dbraw/zinc/88/49/22/720884922.db2.gz VIWLVPNFLKMKCD-RDPSFJRHSA-N 1 0 459.059 4.607 20 0 JJADRO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164758416 720886965 /nfs/dbraw/zinc/88/69/65/720886965.db2.gz XVTHCEVSVUCPDX-AMGIVPHBSA-N 1 0 478.040 4.742 20 0 JJADRO Cc1sc2nc(C)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164750605 720888569 /nfs/dbraw/zinc/88/85/69/720888569.db2.gz BKIDDVRHBKPYBB-WNCULLNHSA-N 1 0 477.678 4.767 20 0 JJADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754483 720891307 /nfs/dbraw/zinc/89/13/07/720891307.db2.gz JAPSTBIKVZTPTN-WXVAWEFUSA-N 1 0 478.040 4.742 20 0 JJADRO Cc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755637 720899365 /nfs/dbraw/zinc/89/93/65/720899365.db2.gz MHDJPBIWBUYEJJ-AMGIVPHBSA-N 1 0 478.040 4.742 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164859723 720901873 /nfs/dbraw/zinc/90/18/73/720901873.db2.gz PPOPLMDGHLXETL-OARDWFSCSA-N 1 0 462.638 4.577 20 0 JJADRO Fc1cccc(Oc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164754008 720902498 /nfs/dbraw/zinc/90/24/98/720902498.db2.gz IDEITSKRSWUCHZ-NEKDWFFYSA-N 1 0 489.595 4.558 20 0 JJADRO Fc1cc2ncnc(Cl)c2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164757131 720903187 /nfs/dbraw/zinc/90/31/87/720903187.db2.gz SUTSWZFAQRKNCX-FNZWTVRRSA-N 1 0 482.003 4.572 20 0 JJADRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)cc1Cl ZINC001164756249 720903656 /nfs/dbraw/zinc/90/36/56/720903656.db2.gz OTISDQBXQCRAOO-RDPSFJRHSA-N 1 0 461.437 4.847 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164754613 720906791 /nfs/dbraw/zinc/90/67/91/720906791.db2.gz WFRYGRXVSFLBGU-FIPFOOKPSA-N 1 0 493.652 4.579 20 0 JJADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749003 720909999 /nfs/dbraw/zinc/90/99/99/720909999.db2.gz HFEIQHARWYNQTP-CUNXSJBXSA-N 1 0 484.088 4.886 20 0 JJADRO Cc1ccc(C)c(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164749124 720916933 /nfs/dbraw/zinc/91/69/33/720916933.db2.gz HWVLUGKFZHARLR-FREGXXQWSA-N 1 0 483.660 4.911 20 0 JJADRO Clc1cccc(-c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)c1 ZINC001164746491 720917287 /nfs/dbraw/zinc/91/72/87/720917287.db2.gz AYSUBMWCHBNGFT-UFHPHHKVSA-N 1 0 490.051 4.947 20 0 JJADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755170 720933467 /nfs/dbraw/zinc/93/34/67/720933467.db2.gz ZHOBSEUNZAJXPT-GIGWZHCTSA-N 1 0 487.623 4.741 20 0 JJADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164749946 720940561 /nfs/dbraw/zinc/94/05/61/720940561.db2.gz IOJJOSJCTNTSEP-GTFGCAHESA-N 1 0 474.653 4.622 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164759844 721031920 /nfs/dbraw/zinc/03/19/20/721031920.db2.gz AEKAXTFDPCABKP-SLQPCKNISA-N 1 0 450.627 4.758 20 0 JJADRO COC(=O)c1c(Cl)cnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1OC ZINC001164759126 721045210 /nfs/dbraw/zinc/04/52/10/721045210.db2.gz GJKRMFFTLQMIEB-UHFFFAOYSA-N 1 0 458.002 4.721 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3CC)[C@H]2COCc2ccccc2)nc1 ZINC001164771572 721049365 /nfs/dbraw/zinc/04/93/65/721049365.db2.gz MVQSJFKHRRZHCM-AOYPEHQESA-N 1 0 474.653 4.951 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c23)cc1 ZINC001164867686 721076782 /nfs/dbraw/zinc/07/67/82/721076782.db2.gz ZOGVEIPVXPDEIL-FCHUYYIVSA-N 1 0 457.603 4.541 20 0 JJADRO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864421 721103408 /nfs/dbraw/zinc/10/34/08/721103408.db2.gz FVFHNASMSNZBOB-PKTZIBPZSA-N 1 0 489.982 4.964 20 0 JJADRO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864871 721104696 /nfs/dbraw/zinc/10/46/96/721104696.db2.gz GZTVSJMYJQKDIS-DHIUTWEWSA-N 1 0 471.992 4.825 20 0 JJADRO c1ccc(COc2ccc3nc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)ccc3c2)cc1 ZINC001164864412 721105274 /nfs/dbraw/zinc/10/52/74/721105274.db2.gz FTTSIZMKHLEGLJ-XNMGPUDCSA-N 1 0 466.585 4.689 20 0 JJADRO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864873 721105718 /nfs/dbraw/zinc/10/57/18/721105718.db2.gz GZTVSJMYJQKDIS-PKTZIBPZSA-N 1 0 471.992 4.825 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164773810 721127589 /nfs/dbraw/zinc/12/75/89/721127589.db2.gz ZCZNQRYGQWINOS-LEWJYISDSA-N 1 0 458.997 4.642 20 0 JJADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)CC[N@@H+]3C2)c1 ZINC001164870311 721137966 /nfs/dbraw/zinc/13/79/66/721137966.db2.gz CMJSOEXTSWGZCW-FGZHOGPDSA-N 1 0 498.656 4.507 20 0 JJADRO Clc1ccc(-c2cc3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3s2)cc1 ZINC001164878430 721142867 /nfs/dbraw/zinc/14/28/67/721142867.db2.gz QCLLJDPUEDWNMH-RTWAWAEBSA-N 1 0 478.021 4.886 20 0 JJADRO Cc1sc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164876498 721144463 /nfs/dbraw/zinc/14/44/63/721144463.db2.gz MTPFKEVCVDNIOP-VXKWHMMOSA-N 1 0 457.603 4.541 20 0 JJADRO Clc1cccc(-c2nc3c(c(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164870321 721167649 /nfs/dbraw/zinc/16/76/49/721167649.db2.gz CNFHURPKLZXYDP-PKTZIBPZSA-N 1 0 476.024 4.551 20 0 JJADRO Fc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164879917 721169336 /nfs/dbraw/zinc/16/93/36/721169336.db2.gz VJWBITNNGUARRD-FGZHOGPDSA-N 1 0 488.941 4.961 20 0 JJADRO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164881004 721170016 /nfs/dbraw/zinc/17/00/16/721170016.db2.gz YTTRMDRGJSPZHU-UXHICEINSA-N 1 0 488.941 4.961 20 0 JJADRO Fc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164879915 721170084 /nfs/dbraw/zinc/17/00/84/721170084.db2.gz VJWBITNNGUARRD-FCHUYYIVSA-N 1 0 488.941 4.961 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164767649 721171283 /nfs/dbraw/zinc/17/12/83/721171283.db2.gz KHMGGSPMTIGESS-MOPGFXCFSA-N 1 0 465.026 4.704 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@H]3C2)cn1 ZINC001164774411 721176209 /nfs/dbraw/zinc/17/62/09/721176209.db2.gz YZXVLQWLHGPQFB-DHIUTWEWSA-N 1 0 494.039 4.529 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@@H]3C2)cn1 ZINC001164766983 721194217 /nfs/dbraw/zinc/19/42/17/721194217.db2.gz JVAORFUKCNFCHA-OALUTQOASA-N 1 0 465.026 4.704 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164766017 721197661 /nfs/dbraw/zinc/19/76/61/721197661.db2.gz IUVFLOQUEVWQFR-BJKOFHAPSA-N 1 0 452.606 4.605 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c3ccccc32)cc1C ZINC001164766045 721197866 /nfs/dbraw/zinc/19/78/66/721197866.db2.gz IUVFLOQUEVWQFR-ZEQRLZLVSA-N 1 0 452.606 4.605 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164763382 721201132 /nfs/dbraw/zinc/20/11/32/721201132.db2.gz FQZFWEOZKGBZAY-RBUKOAKNSA-N 1 0 464.664 4.728 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@H]3C2)cn1 ZINC001164771858 721218043 /nfs/dbraw/zinc/21/80/43/721218043.db2.gz RKDWAOKLOZSXCY-LEWJYISDSA-N 1 0 487.982 4.551 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@@H]3C2)cn1 ZINC001164771860 721218139 /nfs/dbraw/zinc/21/81/39/721218139.db2.gz RKDWAOKLOZSXCY-RTWAWAEBSA-N 1 0 487.982 4.551 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164765102 721218657 /nfs/dbraw/zinc/21/86/57/721218657.db2.gz HUHYXMAIBFBGPX-AZUAARDMSA-N 1 0 490.702 4.990 20 0 JJADRO c1ccc(C[N@@H+]2CCc3nc(N4CCc5c(COCc6ccccn6)cncc5C4)ccc3C2)cc1 ZINC001164763664 721269625 /nfs/dbraw/zinc/26/96/25/721269625.db2.gz DVMXCBZXAUPIEW-UHFFFAOYSA-N 1 0 477.612 4.709 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ccc(Cl)cc43)C2)C1 ZINC001164777455 721332064 /nfs/dbraw/zinc/33/20/64/721332064.db2.gz NRJRLZHREFSYEH-QHCPKHFHSA-N 1 0 476.408 4.660 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@@H](COCc3csc(C)n3)C2)nc1 ZINC001164876312 721332543 /nfs/dbraw/zinc/33/25/43/721332543.db2.gz NYGKOXSREBHISU-OFVILXPXSA-N 1 0 480.682 4.833 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccc(F)cc43)C2)C1 ZINC001164777858 721342649 /nfs/dbraw/zinc/34/26/49/721342649.db2.gz JJNYUURQFQDEGB-DEOSSOPVSA-N 1 0 458.965 4.751 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4ccc(Cl)c(C)c4n3)C2)C1 ZINC001164782214 721361841 /nfs/dbraw/zinc/36/18/41/721361841.db2.gz LGXLHZCOJLZVNG-RUZDIDTESA-N 1 0 455.002 4.920 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164786092 721364877 /nfs/dbraw/zinc/36/48/77/721364877.db2.gz WDFRHOSHNVKBJT-MHZLTWQESA-N 1 0 469.674 4.795 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4c(F)ccc(F)c34)C2)C1 ZINC001164783741 721375748 /nfs/dbraw/zinc/37/57/48/721375748.db2.gz OMLQAMCFPBPKJB-XMMPIXPASA-N 1 0 476.955 4.890 20 0 JJADRO COc1cc2c(cc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cc1F ZINC001164779716 721376626 /nfs/dbraw/zinc/37/66/26/721376626.db2.gz CHNKMWAPMBZXRR-RUZDIDTESA-N 1 0 488.991 4.760 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C3)O2)CC1 ZINC001164887684 721405124 /nfs/dbraw/zinc/40/51/24/721405124.db2.gz MEYSSLWXWJUMNR-MBSDFSHPSA-N 1 0 499.433 4.852 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890922 721408907 /nfs/dbraw/zinc/40/89/07/721408907.db2.gz UILZIDJKTXSIRE-VIZCGCQYSA-N 1 0 483.660 4.576 20 0 JJADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786511 721418435 /nfs/dbraw/zinc/41/84/35/721418435.db2.gz PBOCHMJJYNKDEP-IYBDPMFKSA-N 1 0 487.000 4.743 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5cc(OCc6ccccc6)ccc5n4)C3)O2)CC1 ZINC001164887115 721419748 /nfs/dbraw/zinc/41/97/48/721419748.db2.gz LBJSKUGIMRQRFX-FIBWVYCGSA-N 1 0 486.660 4.579 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)C3)O2)CC1 ZINC001164899161 721432597 /nfs/dbraw/zinc/43/25/97/721432597.db2.gz YAAZWXULUYYXPW-FUFSCUOVSA-N 1 0 456.634 4.667 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C3)O2)CC1 ZINC001164890755 721433144 /nfs/dbraw/zinc/43/31/44/721433144.db2.gz FANFCXODMYHYEZ-RLWLMLJZSA-N 1 0 498.096 4.777 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1C ZINC001164898661 721434649 /nfs/dbraw/zinc/43/46/49/721434649.db2.gz WINMSNYVUOKIIF-FQRUVTKNSA-N 1 0 497.734 4.802 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164786592 721451309 /nfs/dbraw/zinc/45/13/09/721451309.db2.gz NBJVKADWEUKLEN-SFHVURJKSA-N 1 0 478.411 4.667 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164785931 721453465 /nfs/dbraw/zinc/45/34/65/721453465.db2.gz ITNSCIFHDIZMHA-FQEVSTJZSA-N 1 0 495.014 4.562 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C3)O2)CC1 ZINC001164889829 721453620 /nfs/dbraw/zinc/45/36/20/721453620.db2.gz PNVHNNDNDDFDCD-CVDCTZTESA-N 1 0 497.055 4.774 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164789310 721458528 /nfs/dbraw/zinc/45/85/28/721458528.db2.gz WUFHMLSXWUEGCI-HXUWFJFHSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164786905 721459961 /nfs/dbraw/zinc/45/99/61/721459961.db2.gz QLYVWTCVAPHDAD-JOCHJYFZSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164784898 721462338 /nfs/dbraw/zinc/46/23/38/721462338.db2.gz KRLROCQDUBWIFQ-NRFANRHFSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164783591 721463393 /nfs/dbraw/zinc/46/33/93/721463393.db2.gz DODSTLPZTIKUIL-SFHVURJKSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164790670 721467977 /nfs/dbraw/zinc/46/79/77/721467977.db2.gz UJVYTLHXOMQTNR-IBGZPJMESA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164788836 721468668 /nfs/dbraw/zinc/46/86/68/721468668.db2.gz LQWSANBSSIBFLU-JOCHJYFZSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164791672 721471537 /nfs/dbraw/zinc/47/15/37/721471537.db2.gz XKVXIVCUTSHIFA-NRFANRHFSA-N 1 0 487.044 4.656 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164788841 721473844 /nfs/dbraw/zinc/47/38/44/721473844.db2.gz LSUYTTNIARBFCU-IBGZPJMESA-N 1 0 484.031 4.503 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164791307 721473897 /nfs/dbraw/zinc/47/38/97/721473897.db2.gz WXBATJAAJYPSMZ-HXUWFJFHSA-N 1 0 462.009 4.761 20 0 JJADRO CNC(=O)N[C@H]1CC2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)c2ccc(C)cc21 ZINC001164900391 721492112 /nfs/dbraw/zinc/49/21/12/721492112.db2.gz OVDPGPPLLREMCM-NDEPHWFRSA-N 1 0 495.671 4.860 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)CC2 ZINC001164792274 721492711 /nfs/dbraw/zinc/49/27/11/721492711.db2.gz MQEXNLQUAGIGBM-UHFFFAOYSA-N 1 0 488.039 4.804 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ccn3Cc1ccccc1)CC2 ZINC001164792949 721496796 /nfs/dbraw/zinc/49/67/96/721496796.db2.gz VXUGYDDDGPYFQY-UHFFFAOYSA-N 1 0 452.606 4.756 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164792281 721497218 /nfs/dbraw/zinc/49/72/18/721497218.db2.gz MWNMLWCOMQRHRZ-UHFFFAOYSA-N 1 0 457.018 4.966 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CC2 ZINC001164795496 721502271 /nfs/dbraw/zinc/50/22/71/721502271.db2.gz KKRLSUIAYPKURV-UHFFFAOYSA-N 1 0 474.943 4.606 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164809567 721546604 /nfs/dbraw/zinc/54/66/04/721546604.db2.gz VLHDCFCTQTWYRL-CYXNTTPDSA-N 1 0 451.574 4.560 20 0 JJADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908513 721585493 /nfs/dbraw/zinc/58/54/93/721585493.db2.gz ZRUMRBPHJUZODJ-NRFANRHFSA-N 1 0 479.909 4.961 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@@H]2CCCO[C@H]12 ZINC001164804134 721585756 /nfs/dbraw/zinc/58/57/56/721585756.db2.gz IXPVHWBNIXLIRU-VIZSFHNOSA-N 1 0 482.053 4.610 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)nc1 ZINC001164802028 721604202 /nfs/dbraw/zinc/60/42/02/721604202.db2.gz RSNCQIKXUNOGKO-ILBGXUMGSA-N 1 0 450.627 4.726 20 0 JJADRO CCOC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccccc21 ZINC001164904087 721702596 /nfs/dbraw/zinc/70/25/96/721702596.db2.gz CVPKOZCKXFSWOR-VWLOTQADSA-N 1 0 466.532 4.544 20 0 JJADRO C[C@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@@]5(CC[N@H+](Cc6ccccn6)C5)C4)c23)C1 ZINC001164905361 721703220 /nfs/dbraw/zinc/70/32/20/721703220.db2.gz ISUPSGDASOPVLH-BXKMTCNYSA-N 1 0 469.605 4.949 20 0 JJADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164910622 721727326 /nfs/dbraw/zinc/72/73/26/721727326.db2.gz GZWOLFFFQHSMIA-NRFANRHFSA-N 1 0 479.909 4.961 20 0 JJADRO FC1(F)CCN(c2cc(SCc3ccccc3)ncn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912691 721731575 /nfs/dbraw/zinc/73/15/75/721731575.db2.gz PLRIYWPNGVAWKB-XMMPIXPASA-N 1 0 467.589 4.902 20 0 JJADRO Fc1ccc2nc(C(F)F)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913539 721732600 /nfs/dbraw/zinc/73/26/00/721732600.db2.gz WWUICJDMGAOQIB-QFIPXVFZSA-N 1 0 463.454 4.839 20 0 JJADRO CC(C)(C)OC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164913066 721734339 /nfs/dbraw/zinc/73/43/39/721734339.db2.gz RWHKDKJLZABWSD-HSZRJFAPSA-N 1 0 478.971 4.823 20 0 JJADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001165010512 721742517 /nfs/dbraw/zinc/74/25/17/721742517.db2.gz NRARICRCVGEXAA-UHFFFAOYSA-N 1 0 470.042 4.535 20 0 JJADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165016016 721767928 /nfs/dbraw/zinc/76/79/28/721767928.db2.gz VIMNVROBZZYFAC-UHFFFAOYSA-N 1 0 468.851 4.841 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@@H]21 ZINC001165019539 721801969 /nfs/dbraw/zinc/80/19/69/721801969.db2.gz CWPRSWNJBGATQC-NBHGPNQESA-N 1 0 457.956 4.960 20 0 JJADRO CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028543 721802336 /nfs/dbraw/zinc/80/23/36/721802336.db2.gz ZEZRSMUSAIXEIN-USXIJHARSA-N 1 0 453.990 4.529 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@H]21 ZINC001165017810 721804403 /nfs/dbraw/zinc/80/44/03/721804403.db2.gz ATBCJQUXQBKMSV-BSLALVQMSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C[C@@H]21 ZINC001165019566 721806056 /nfs/dbraw/zinc/80/60/56/721806056.db2.gz DCIGXMZHEWCPBX-VHDGCEQUSA-N 1 0 478.815 4.512 20 0 JJADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026858 721810650 /nfs/dbraw/zinc/81/06/50/721810650.db2.gz RTWJNIDWHMDGJN-WEYGHZABSA-N 1 0 480.012 4.592 20 0 JJADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026859 721810732 /nfs/dbraw/zinc/81/07/32/721810732.db2.gz RTWJNIDWHMDGJN-XJABCFGWSA-N 1 0 480.012 4.592 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@@H]21 ZINC001165022578 721814424 /nfs/dbraw/zinc/81/44/24/721814424.db2.gz FZCFNUBTIOAEFG-QGUKFAFCSA-N 1 0 470.596 4.751 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)C[C@@H]21 ZINC001165029384 721814969 /nfs/dbraw/zinc/81/49/69/721814969.db2.gz YUJJWTWWKWFPIW-ZSQFBXSQSA-N 1 0 452.606 4.612 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)C[C@H]21 ZINC001165029003 721815027 /nfs/dbraw/zinc/81/50/27/721815027.db2.gz YPHSXYUJYIJSLO-LPPUWEFUSA-N 1 0 470.596 4.751 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@@H]21 ZINC001165022708 721817141 /nfs/dbraw/zinc/81/71/41/721817141.db2.gz GVRJTDGRGMYRQR-DJPFJPOOSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@@H]21 ZINC001165030145 721822625 /nfs/dbraw/zinc/82/26/25/721822625.db2.gz YBECQEFYVHOVNL-SESVDKBCSA-N 1 0 484.982 4.869 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@@H]21 ZINC001165020675 721822631 /nfs/dbraw/zinc/82/26/31/721822631.db2.gz DDUZCDNBPWYKHU-HLAWJBBLSA-N 1 0 484.982 4.869 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C[C@H]21 ZINC001165022249 721829637 /nfs/dbraw/zinc/82/96/37/721829637.db2.gz GVCCNCBUQPCALS-NQSCKRDGSA-N 1 0 457.018 4.822 20 0 JJADRO COc1ccc(Cc2c(C)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2C)cc1 ZINC001165022339 721829646 /nfs/dbraw/zinc/82/96/46/721829646.db2.gz GXMRIUJCSRHGFF-RNCAPKPVSA-N 1 0 471.649 4.825 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001165022775 721841590 /nfs/dbraw/zinc/84/15/90/721841590.db2.gz UIXWDNLIYUWUPG-UHFFFAOYSA-N 1 0 489.595 4.737 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(-c3nc(C(C)(C)C)no3)ccn2)CC1 ZINC001165021185 721843064 /nfs/dbraw/zinc/84/30/64/721843064.db2.gz GPYBHCFTLFGBDV-UHFFFAOYSA-N 1 0 465.598 4.547 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(-c3ccccn3)nc3ccccc32)CC1 ZINC001165021979 721843351 /nfs/dbraw/zinc/84/33/51/721843351.db2.gz KSPAUDYUBNETSG-UHFFFAOYSA-N 1 0 469.589 4.810 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933504 721878831 /nfs/dbraw/zinc/87/88/31/721878831.db2.gz MKMDVYMTMLRVHK-DNQXCXABSA-N 1 0 490.721 4.559 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930931 721879349 /nfs/dbraw/zinc/87/93/49/721879349.db2.gz DLCXIWCEPPKEJL-GOTSBHOMSA-N 1 0 470.646 4.635 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934427 721884255 /nfs/dbraw/zinc/88/42/55/721884255.db2.gz RPEBISLUDVGJGW-VXKWHMMOSA-N 1 0 456.421 4.818 20 0 JJADRO c1ccc(C[N@@H+]2CCc3nc(N4CC[C@]5(C4)COCc4cnc(-c6ccccc6)nc45)ccc3C2)cc1 ZINC001164928940 721898605 /nfs/dbraw/zinc/89/86/05/721898605.db2.gz SPKUMEANWTZKCD-HKBQPEDESA-N 1 0 489.623 4.775 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CC3)C2)cc1 ZINC001164940545 721923933 /nfs/dbraw/zinc/92/39/33/721923933.db2.gz SZLPJBYZXLOFDN-UHFFFAOYSA-N 1 0 493.826 4.560 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc(Oc5cccc(F)c5)n4)CC3)C2)cc1 ZINC001164940206 721927973 /nfs/dbraw/zinc/92/79/73/721927973.db2.gz RVRJAXCCHPPTQW-UHFFFAOYSA-N 1 0 483.975 4.636 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc(Oc5ccc(F)cc5)n4)CC3)C2)cc1 ZINC001164938687 721928281 /nfs/dbraw/zinc/92/82/81/721928281.db2.gz DQJBJAVPCAUOFP-UHFFFAOYSA-N 1 0 483.975 4.636 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)CC3)C2)cc1 ZINC001164939124 721930371 /nfs/dbraw/zinc/93/03/71/721930371.db2.gz JFTJXDRFLWXAAO-UHFFFAOYSA-N 1 0 499.993 4.917 20 0 JJADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955874 722021704 /nfs/dbraw/zinc/02/17/04/722021704.db2.gz QJDCKRDENAOHRJ-UHFFFAOYSA-N 1 0 453.949 4.949 20 0 JJADRO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959048 722026226 /nfs/dbraw/zinc/02/62/26/722026226.db2.gz HQFXISUUOSVPDQ-BVRKHOPBSA-N 1 0 498.671 4.936 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)nc1 ZINC001164959020 722027402 /nfs/dbraw/zinc/02/74/02/722027402.db2.gz HMTSRXKHNWOICB-PBWSGDRGSA-N 1 0 464.654 4.924 20 0 JJADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964561 722054462 /nfs/dbraw/zinc/05/44/62/722054462.db2.gz VMZQLYLGSXZJCO-UHFFFAOYSA-N 1 0 499.993 4.856 20 0 JJADRO FC(F)(c1cc2ccccc2nc1Cl)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963295 722057797 /nfs/dbraw/zinc/05/77/97/722057797.db2.gz VUSIOLHJEKHTLF-UHFFFAOYSA-N 1 0 472.967 4.947 20 0 JJADRO Clc1ccc(-c2nc3c(c(N4CCC5(CC4)COCC[N@H+](Cc4ccncc4)C5)n2)CCC3)s1 ZINC001164961618 722060739 /nfs/dbraw/zinc/06/07/39/722060739.db2.gz MVRLQJVWUOTGRY-UHFFFAOYSA-N 1 0 496.080 4.861 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3c(COCc4cncc(C)c4)cnc3[C@@H]2C)nc1 ZINC001164965026 722063321 /nfs/dbraw/zinc/06/33/21/722063321.db2.gz IDFHEYPJQSAJIF-OFVILXPXSA-N 1 0 460.626 4.826 20 0 JJADRO c1sc2nc(-c3cccnc3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164967157 722075488 /nfs/dbraw/zinc/07/54/88/722075488.db2.gz LPWJCCKXVBUTPM-SZPZYZBQSA-N 1 0 469.614 4.720 20 0 JJADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984713 722106418 /nfs/dbraw/zinc/10/64/18/722106418.db2.gz UDGMJYSBFYJBHA-UZLBHIALSA-N 1 0 494.373 4.604 20 0 JJADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973352 722110085 /nfs/dbraw/zinc/11/00/85/722110085.db2.gz HDGWZCVVLMOHAI-OXJNMPFZSA-N 1 0 494.373 4.604 20 0 JJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971027 722111576 /nfs/dbraw/zinc/11/15/76/722111576.db2.gz BBZIBHHGUCJEMW-UGKGYDQZSA-N 1 0 458.940 4.555 20 0 JJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977439 722111805 /nfs/dbraw/zinc/11/18/05/722111805.db2.gz NBOCDJWJWYICLB-UGKGYDQZSA-N 1 0 458.940 4.555 20 0 JJADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975170 722129519 /nfs/dbraw/zinc/12/95/19/722129519.db2.gz FGAAFGPKTTZEDL-DYESRHJHSA-N 1 0 473.404 4.673 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164972603 722139030 /nfs/dbraw/zinc/13/90/30/722139030.db2.gz AEOWXQCTLXMBBC-SHQCIBLASA-N 1 0 465.601 4.728 20 0 JJADRO Fc1ccc(-c2nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1F ZINC001164980268 722140877 /nfs/dbraw/zinc/14/08/77/722140877.db2.gz MJLXAUFQQAJQHH-HFZDXXHNSA-N 1 0 487.554 4.697 20 0 JJADRO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164980266 722141473 /nfs/dbraw/zinc/14/14/73/722141473.db2.gz MITYTUGLKATBKA-GJZUVCINSA-N 1 0 469.564 4.558 20 0 JJADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976034 722143109 /nfs/dbraw/zinc/14/31/09/722143109.db2.gz GRIIOCHNLCRHOA-XLIONFOSSA-N 1 0 491.995 4.526 20 0 JJADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976035 722143344 /nfs/dbraw/zinc/14/33/44/722143344.db2.gz GRIIOCHNLCRHOA-YLJYHZDGSA-N 1 0 491.995 4.526 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)s1 ZINC001164984257 722145414 /nfs/dbraw/zinc/14/54/14/722145414.db2.gz XATMAUYURSOCBL-XUZZJYLKSA-N 1 0 471.630 4.789 20 0 JJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976031 722148673 /nfs/dbraw/zinc/14/86/73/722148673.db2.gz GLEVAGWYHYPRJR-UGKGYDQZSA-N 1 0 458.940 4.555 20 0 JJADRO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977143 722154423 /nfs/dbraw/zinc/15/44/23/722154423.db2.gz XOJLNBVONLENNE-AVRDEDQJSA-N 1 0 486.403 4.698 20 0 JJADRO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164971671 722154928 /nfs/dbraw/zinc/15/49/28/722154928.db2.gz CXKCKCIYXQRMSN-AVRDEDQJSA-N 1 0 486.403 4.698 20 0 JJADRO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973851 722155647 /nfs/dbraw/zinc/15/56/47/722155647.db2.gz NCGMUYYYOGTGCF-PGRDOPGGSA-N 1 0 486.403 4.698 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972113 722157996 /nfs/dbraw/zinc/15/79/96/722157996.db2.gz FRXVGZYVRVOGBR-AVRDEDQJSA-N 1 0 474.939 4.662 20 0 JJADRO CCOC(=O)c1sc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164993843 722191015 /nfs/dbraw/zinc/19/10/15/722191015.db2.gz IDEKLTBNYOOENV-DEOSSOPVSA-N 1 0 454.571 4.560 20 0 JJADRO CCOC(=O)c1sc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164993850 722191132 /nfs/dbraw/zinc/19/11/32/722191132.db2.gz IDEKLTBNYOOENV-XMMPIXPASA-N 1 0 454.571 4.560 20 0 JJADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)nc(Oc4cccc(F)c4)n2)C3)c1 ZINC001164993784 722204063 /nfs/dbraw/zinc/20/40/63/722204063.db2.gz BHQATISWSJQSAM-QHCPKHFHSA-N 1 0 457.912 4.840 20 0 JJADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995976 722205001 /nfs/dbraw/zinc/20/50/01/722205001.db2.gz QZFQXTIHYDYBJH-LKXQCNMVSA-N 1 0 494.611 4.636 20 0 JJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)C3)c1 ZINC001164996613 722210082 /nfs/dbraw/zinc/21/00/82/722210082.db2.gz UKQMJXQMNLRMJL-HHHXNRCGSA-N 1 0 460.553 4.689 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3scc(-c4ccc(Cl)cc4)c31)CCC2 ZINC001165004962 722256433 /nfs/dbraw/zinc/25/64/33/722256433.db2.gz YSLDKGLSNUMQAN-UHFFFAOYSA-N 1 0 483.041 4.697 20 0 JJADRO CC(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cc(Br)cs1 ZINC001359712013 1064260305 /nfs/dbraw/zinc/26/03/05/1064260305.db2.gz BINHEEWEKIITPQ-UHFFFAOYSA-N 1 0 452.466 4.729 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001545858952 1064266946 /nfs/dbraw/zinc/26/69/46/1064266946.db2.gz AGGMZEKPZZTYSX-OAQYLSRUSA-N 1 0 492.712 4.826 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359719944 1064267381 /nfs/dbraw/zinc/26/73/81/1064267381.db2.gz CJVWKIBAEMOFDQ-UHFFFAOYSA-N 1 0 470.609 4.822 20 0 JJADRO CC(C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[C@H](C)c1ccccc1 ZINC001359720788 1064267855 /nfs/dbraw/zinc/26/78/55/1064267855.db2.gz DSHOFJLGXMDIAW-KMDXXIMOSA-N 1 0 452.691 4.590 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001545862204 1064270190 /nfs/dbraw/zinc/27/01/90/1064270190.db2.gz CHFNKTSIZYNAML-NHCUHLMSSA-N 1 0 460.711 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545862858 1064271465 /nfs/dbraw/zinc/27/14/65/1064271465.db2.gz VLXBRBNHEOQMQR-ACRUOGEOSA-N 1 0 474.738 4.825 20 0 JJADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001545867042 1064276756 /nfs/dbraw/zinc/27/67/56/1064276756.db2.gz RUJWRRMVXHCGFM-UWJYYQICSA-N 1 0 459.403 4.938 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCC[NH+]2CCOCC2)C1 ZINC001359730097 1064280951 /nfs/dbraw/zinc/28/09/51/1064280951.db2.gz NMJDARKRJSFZQS-HXUWFJFHSA-N 1 0 490.490 4.692 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@H]1CC[C@H](C)C1 ZINC001545870146 1064282753 /nfs/dbraw/zinc/28/27/53/1064282753.db2.gz HMNHKGKWNOKNAP-WPFOTENUSA-N 1 0 480.701 4.734 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870856 1064286566 /nfs/dbraw/zinc/28/65/66/1064286566.db2.gz YDWRMYHGTNTHIE-AOHZBQACSA-N 1 0 494.728 4.867 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359732934 1064288413 /nfs/dbraw/zinc/28/84/13/1064288413.db2.gz OAQSUTVBCJXFFW-IBGZPJMESA-N 1 0 477.495 4.935 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001545874149 1064289533 /nfs/dbraw/zinc/28/95/33/1064289533.db2.gz JUFYASUJXRVGMI-UPVQGACJSA-N 1 0 494.728 4.776 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359733673 1064291856 /nfs/dbraw/zinc/29/18/56/1064291856.db2.gz DXNZTWHSMGTFRV-LJQANCHMSA-N 1 0 463.468 4.783 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C1CC(C(C)(C)C)C1 ZINC001545876291 1064292990 /nfs/dbraw/zinc/29/29/90/1064292990.db2.gz WNHLRMAHDOASGW-YMISUZCDSA-N 1 0 458.695 4.506 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001545879872 1064295294 /nfs/dbraw/zinc/29/52/94/1064295294.db2.gz IPEGTOLUNSHYQC-NRFANRHFSA-N 1 0 452.986 4.573 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCCc1ccc(Br)cc1 ZINC001545879927 1064295756 /nfs/dbraw/zinc/29/57/56/1064295756.db2.gz KASXMJCKOBOKGI-JOCHJYFZSA-N 1 0 459.428 4.991 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359737794 1064299640 /nfs/dbraw/zinc/29/96/40/1064299640.db2.gz GPGPJENFYQZNQO-RTWAWAEBSA-N 1 0 457.619 4.985 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001545886882 1064303789 /nfs/dbraw/zinc/30/37/89/1064303789.db2.gz OXQUYWPLXDEUNZ-HXUWFJFHSA-N 1 0 498.691 4.719 20 0 JJADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001434880361 1064312771 /nfs/dbraw/zinc/31/27/71/1064312771.db2.gz CBBSMMPXFUXMRL-SIKLNZKXSA-N 1 0 451.014 4.945 20 0 JJADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880337 1064313063 /nfs/dbraw/zinc/31/30/63/1064313063.db2.gz BBGZRJBPBFTGBJ-IQNSKSLUSA-N 1 0 455.643 4.658 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001359745239 1064318614 /nfs/dbraw/zinc/31/86/14/1064318614.db2.gz DBBIUCNVBNRQFE-QHCPKHFHSA-N 1 0 496.744 4.663 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CC=CCC2)CCS1 ZINC001359746309 1064323602 /nfs/dbraw/zinc/32/36/02/1064323602.db2.gz DBGMHXUJZYMOKQ-FQEVSTJZSA-N 1 0 476.488 4.547 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001359746562 1064324137 /nfs/dbraw/zinc/32/41/37/1064324137.db2.gz IXVLIEKBRYZMSN-OAQYLSRUSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCS1 ZINC001359747475 1064328093 /nfs/dbraw/zinc/32/80/93/1064328093.db2.gz CJMHSLGWGYUOCG-DENIHFKCSA-N 1 0 496.096 4.552 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001359747410 1064328341 /nfs/dbraw/zinc/32/83/41/1064328341.db2.gz APTNINUBKKTPTL-NVQXNPDNSA-N 1 0 471.715 4.541 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C2CC2)[NH+](C)C)CCS1 ZINC001359747467 1064328372 /nfs/dbraw/zinc/32/83/72/1064328372.db2.gz CCMKCNDYSGMBLE-PMACEKPBSA-N 1 0 452.043 4.656 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCC2)CCS1 ZINC001359748152 1064332678 /nfs/dbraw/zinc/33/26/78/1064332678.db2.gz PIAZPODRMUCIPP-LJQANCHMSA-N 1 0 482.467 4.520 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001359753914 1064343704 /nfs/dbraw/zinc/34/37/04/1064343704.db2.gz UOALOUVYHXIFLB-URXFXBBRSA-N 1 0 457.638 4.524 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2c(C)onc2-c2ccccc2C)CC1 ZINC001434919017 1064346547 /nfs/dbraw/zinc/34/65/47/1064346547.db2.gz HUAIFXSGACBUAE-GOSISDBHSA-N 1 0 450.558 4.730 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001359755099 1064347176 /nfs/dbraw/zinc/34/71/76/1064347176.db2.gz SICABQZHFAQYLD-FCHUYYIVSA-N 1 0 490.073 4.736 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001359755101 1064347228 /nfs/dbraw/zinc/34/72/28/1064347228.db2.gz SICABQZHFAQYLD-VXKWHMMOSA-N 1 0 490.073 4.736 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC001434920529 1064347870 /nfs/dbraw/zinc/34/78/70/1064347870.db2.gz MJPTVXQYHQJKJQ-HNNXBMFYSA-N 1 0 455.908 4.627 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001434920470 1064347940 /nfs/dbraw/zinc/34/79/40/1064347940.db2.gz LQUMSQATVKNVMC-ZDUSSCGKSA-N 1 0 459.434 4.756 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(-n3cccc3)ccc2Cl)CC1 ZINC001434920665 1064348205 /nfs/dbraw/zinc/34/82/05/1064348205.db2.gz NUCXHOFADVCBKK-SFHVURJKSA-N 1 0 454.977 4.903 20 0 JJADRO CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001434921698 1064349581 /nfs/dbraw/zinc/34/95/81/1064349581.db2.gz KRGLZJLTSVMMIV-JOCHJYFZSA-N 1 0 455.624 4.515 20 0 JJADRO O=C(Cc1c(Cl)cccc1Br)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001434921864 1064349827 /nfs/dbraw/zinc/34/98/27/1064349827.db2.gz MIUNXSVHQHRZER-UHFFFAOYSA-N 1 0 453.833 4.875 20 0 JJADRO CCOC(=O)Cn1ccc2cc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)ccc21 ZINC001434923751 1064351928 /nfs/dbraw/zinc/35/19/28/1064351928.db2.gz HBQMIWYDOZFIAD-ILBGXUMGSA-N 1 0 461.606 4.937 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC001434923707 1064352172 /nfs/dbraw/zinc/35/21/72/1064352172.db2.gz ZJJVRBFDFONFPT-CYBMUJFWSA-N 1 0 459.434 4.756 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)C1)[NH+](C)C ZINC001359764682 1064384589 /nfs/dbraw/zinc/38/45/89/1064384589.db2.gz HDPJFYRKXGAOJN-ICSRJNTNSA-N 1 0 464.054 4.663 20 0 JJADRO CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001359764769 1064385280 /nfs/dbraw/zinc/38/52/80/1064385280.db2.gz IXTWNLYQVHDXIL-QFIPXVFZSA-N 1 0 480.701 4.820 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)C1)[NH+](C)C ZINC001359764683 1064385405 /nfs/dbraw/zinc/38/54/05/1064385405.db2.gz HDPJFYRKXGAOJN-QUCCMNQESA-N 1 0 464.054 4.663 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1)[NH+](C)C ZINC001359764804 1064385442 /nfs/dbraw/zinc/38/54/42/1064385442.db2.gz JRMHXJJKIOHSNX-KIFXHHALSA-N 1 0 487.664 4.786 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001359765023 1064385978 /nfs/dbraw/zinc/38/59/78/1064385978.db2.gz OCOIJGXOKKTDFW-TXTKFYIRSA-N 1 0 475.653 4.785 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC001359765233 1064386677 /nfs/dbraw/zinc/38/66/77/1064386677.db2.gz SNTWRGVQFILNKV-JENIJYKNSA-N 1 0 465.484 4.505 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001359765126 1064386695 /nfs/dbraw/zinc/38/66/95/1064386695.db2.gz QIYUQEOCUSXTNH-CKUXNOBLSA-N 1 0 483.636 4.609 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1[C@@H]1CCCO1)[NH+](C)C ZINC001359765088 1064386735 /nfs/dbraw/zinc/38/67/35/1064386735.db2.gz PNRJPYVXCTYVOY-MNHFLQJXSA-N 1 0 473.637 4.681 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001359765831 1064388901 /nfs/dbraw/zinc/38/89/01/1064388901.db2.gz CMSBDXQGDUVCNL-NRFANRHFSA-N 1 0 488.055 4.827 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)[NH+](C)C ZINC001359766024 1064390104 /nfs/dbraw/zinc/39/01/04/1064390104.db2.gz GYNGEHDYZCPIPL-XWGVYQGASA-N 1 0 496.700 4.757 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1COC(C)(C)OC1)[NH+](C)C ZINC001359766689 1064393594 /nfs/dbraw/zinc/39/35/94/1064393594.db2.gz SBRHYOLAVULYBY-IBGZPJMESA-N 1 0 482.044 4.549 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2cccc(Br)c2C1)[NH+](C)C ZINC001359767235 1064396275 /nfs/dbraw/zinc/39/62/75/1064396275.db2.gz DAGDSFKEXYRRJP-GOSISDBHSA-N 1 0 471.447 4.575 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OC(C)(C)C)CC1)[NH+](C)C ZINC001359767684 1064397040 /nfs/dbraw/zinc/39/70/40/1064397040.db2.gz MUTXJUCJFUHJDW-XMMPIXPASA-N 1 0 493.700 4.891 20 0 JJADRO C[C@H](NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434980504 1064397341 /nfs/dbraw/zinc/39/73/41/1064397341.db2.gz SYZLRIGYYQBMGP-INIZCTEOSA-N 1 0 451.508 4.751 20 0 JJADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434980391 1064397409 /nfs/dbraw/zinc/39/74/09/1064397409.db2.gz RBQTXYVCSLQBEH-LSDHHAIUSA-N 1 0 454.373 4.529 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1)[NH+](C)C ZINC001359768162 1064397693 /nfs/dbraw/zinc/39/76/93/1064397693.db2.gz VKPHMUYYNSJQHY-UYAOXDASSA-N 1 0 485.702 4.581 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001359768191 1064397727 /nfs/dbraw/zinc/39/77/27/1064397727.db2.gz WAHHAELICCTUSQ-NRFANRHFSA-N 1 0 460.548 4.972 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2ccc(OC(F)(F)Cl)cc2)c1 ZINC001434981122 1064397776 /nfs/dbraw/zinc/39/77/76/1064397776.db2.gz QWSQIQKSRFHECX-UHFFFAOYSA-N 1 0 451.901 4.921 20 0 JJADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3)cn2)cc1 ZINC001434980820 1064398060 /nfs/dbraw/zinc/39/80/60/1064398060.db2.gz GDGMJPXHXBZOQL-UHFFFAOYSA-N 1 0 458.562 4.727 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC1(C)C)[NH+](C)C ZINC001359768743 1064398610 /nfs/dbraw/zinc/39/86/10/1064398610.db2.gz FHXOSRKOFBKUGF-NRFANRHFSA-N 1 0 476.710 4.748 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1)[NH+](C)C ZINC001359768464 1064398833 /nfs/dbraw/zinc/39/88/33/1064398833.db2.gz ATOOWDDVICPOLK-YADHBBJMSA-N 1 0 490.490 4.862 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1)[NH+](C)C ZINC001359769150 1064399186 /nfs/dbraw/zinc/39/91/86/1064399186.db2.gz LHSHKDBYTUAAFO-YPAWHYETSA-N 1 0 476.710 4.605 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001359769529 1064399195 /nfs/dbraw/zinc/39/91/95/1064399195.db2.gz QSAXBSFPXIPQRB-HZPDHXFCSA-N 1 0 485.517 4.817 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC001359769319 1064399282 /nfs/dbraw/zinc/39/92/82/1064399282.db2.gz NTEZBJLNYLHLIV-KAOXLYBCSA-N 1 0 490.737 4.994 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001359769527 1064399294 /nfs/dbraw/zinc/39/92/94/1064399294.db2.gz QSAXBSFPXIPQRB-CVEARBPZSA-N 1 0 485.517 4.817 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCc1cccs1)[NH+](C)C ZINC001359770469 1064401894 /nfs/dbraw/zinc/40/18/94/1064401894.db2.gz GHYMODYDOWYHMU-AUSIDOKSSA-N 1 0 469.655 4.507 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1c(F)cccc1Cl)[NH+](C)C ZINC001359770307 1064401943 /nfs/dbraw/zinc/40/19/43/1064401943.db2.gz CNYRYRGURHTJSI-IBGZPJMESA-N 1 0 459.013 4.669 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+](C)C ZINC001359771119 1064403717 /nfs/dbraw/zinc/40/37/17/1064403717.db2.gz QYBOAZARSICQIR-NRFANRHFSA-N 1 0 491.606 4.662 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001359771228 1064404439 /nfs/dbraw/zinc/40/44/39/1064404439.db2.gz SOIJVAJEORWQCG-NVQXNPDNSA-N 1 0 476.109 4.680 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccccc1)[NH+](C)C ZINC001359771407 1064405167 /nfs/dbraw/zinc/40/51/67/1064405167.db2.gz WMSXBDMLYSZXDZ-XUZZJYLKSA-N 1 0 459.642 4.690 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H]1Cc1cccs1)[NH+](C)C ZINC001359771524 1064405217 /nfs/dbraw/zinc/40/52/17/1064405217.db2.gz YTOHAGBSCCGLNM-VXKWHMMOSA-N 1 0 452.672 4.513 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccccc2C1)[NH+](C)C ZINC001359771931 1064406799 /nfs/dbraw/zinc/40/67/99/1064406799.db2.gz GOJWYPRFKSGDEG-GOTSBHOMSA-N 1 0 482.673 4.847 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCCc2sccc2C1)[NH+](C)C ZINC001359772257 1064408283 /nfs/dbraw/zinc/40/82/83/1064408283.db2.gz MBVIKRGWJKKDDV-OAQYLSRUSA-N 1 0 471.646 4.987 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359774931 1064416502 /nfs/dbraw/zinc/41/65/02/1064416502.db2.gz FJZNFJKKHJYAHT-YHDXRRJDSA-N 1 0 459.704 4.676 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359775341 1064418118 /nfs/dbraw/zinc/41/81/18/1064418118.db2.gz NUPSQHSIGCFIBT-YGHBDQSPSA-N 1 0 459.704 4.532 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359776352 1064418597 /nfs/dbraw/zinc/41/85/97/1064418597.db2.gz IIOAWTFWDCVXFG-DENIHFKCSA-N 1 0 498.510 4.823 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359776003 1064418631 /nfs/dbraw/zinc/41/86/31/1064418631.db2.gz ZOFDSKTYGYXXOW-FGZHOGPDSA-N 1 0 482.673 4.751 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359777433 1064421366 /nfs/dbraw/zinc/42/13/66/1064421366.db2.gz JYMFQZXXMQEMHM-NOZRDPDXSA-N 1 0 452.691 4.704 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@@H]1CSCCS1 ZINC001359777493 1064421422 /nfs/dbraw/zinc/42/14/22/1064421422.db2.gz LIVYECBNHCEBLR-MDNUFGMLSA-N 1 0 473.756 4.815 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359779217 1064425317 /nfs/dbraw/zinc/42/53/17/1064425317.db2.gz GSAUVFOARIMVJX-CALCHBBNSA-N 1 0 498.535 4.825 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccc(Br)o2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001359780474 1064429739 /nfs/dbraw/zinc/42/97/39/1064429739.db2.gz WZPCLMCIPMLJMI-UHFFFAOYSA-N 1 0 460.420 4.578 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccccc2C(F)(F)F)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359781102 1064431564 /nfs/dbraw/zinc/43/15/64/1064431564.db2.gz UMHJPBDMNPRHJA-RTBURBONSA-N 1 0 467.580 4.631 20 0 JJADRO CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1(C)C ZINC001435014836 1064431752 /nfs/dbraw/zinc/43/17/52/1064431752.db2.gz SPTUMOWARJWGSI-SANMLTNESA-N 1 0 457.615 4.588 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccccc2N2CCCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001359781255 1064432352 /nfs/dbraw/zinc/43/23/52/1064432352.db2.gz ZZKDMQORDKTIIX-UHFFFAOYSA-N 1 0 452.691 4.978 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359783443 1064435027 /nfs/dbraw/zinc/43/50/27/1064435027.db2.gz ZAOARQFJDITUIG-HVCNVCAESA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N(Cc2cccs2)Cc2cccs2)n1CC1([NH+](C)C)CCOCC1 ZINC001359786854 1064441647 /nfs/dbraw/zinc/44/16/47/1064441647.db2.gz LBYXDJYJIHZVJL-UHFFFAOYSA-N 1 0 473.712 4.917 20 0 JJADRO CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359792117 1064449356 /nfs/dbraw/zinc/44/93/56/1064449356.db2.gz HRKWIRMKLQXEIJ-KGSLCBSSSA-N 1 0 459.704 4.873 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(C(=O)c3cccc4ccccc43)cn2C)c1 ZINC001435035327 1064452036 /nfs/dbraw/zinc/45/20/36/1064452036.db2.gz VQSQPAWNJUAZFI-UHFFFAOYSA-N 1 0 453.586 4.922 20 0 JJADRO COc1ccc(Cl)cc1C(F)(F)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001435041775 1064457981 /nfs/dbraw/zinc/45/79/81/1064457981.db2.gz VIACFAUOSBPGQV-UHFFFAOYSA-N 1 0 455.908 4.749 20 0 JJADRO CN1c2ccc(C(=O)N(CCC[NH+](C)C)C(c3ccccc3)c3ccccc3)cc2CCC1=O ZINC001435041907 1064458074 /nfs/dbraw/zinc/45/80/74/1064458074.db2.gz ORVPZGWOFIVNPK-UHFFFAOYSA-N 1 0 455.602 4.779 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001359800853 1064467798 /nfs/dbraw/zinc/46/77/98/1064467798.db2.gz LNLCPXBHOJQTJG-CPJSRVTESA-N 1 0 474.093 4.812 20 0 JJADRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)ccn1Cc1ccccc1 ZINC001435062757 1064480835 /nfs/dbraw/zinc/48/08/35/1064480835.db2.gz GPYCEBFMXWYLJK-UHFFFAOYSA-N 1 0 454.412 4.811 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001359808875 1064481670 /nfs/dbraw/zinc/48/16/70/1064481670.db2.gz YVCGHSDQTZRVNT-QFQXNSOFSA-N 1 0 473.731 4.927 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001435062886 1064481738 /nfs/dbraw/zinc/48/17/38/1064481738.db2.gz JCKKZOQVBJCKLE-UHFFFAOYSA-N 1 0 452.549 4.759 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359809272 1064483417 /nfs/dbraw/zinc/48/34/17/1064483417.db2.gz LQLNHYBZLIZYED-DEOSSOPVSA-N 1 0 481.710 4.663 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](COc3ccccc3)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359809608 1064484204 /nfs/dbraw/zinc/48/42/04/1064484204.db2.gz XBXRDOYXHMLEQN-REWPJTCUSA-N 1 0 453.656 4.746 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](COc3ccccc3)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359809605 1064484264 /nfs/dbraw/zinc/48/42/64/1064484264.db2.gz XBXRDOYXHMLEQN-NFBKMPQASA-N 1 0 453.656 4.746 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](COc3ccccc3)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359809607 1064484296 /nfs/dbraw/zinc/48/42/96/1064484296.db2.gz XBXRDOYXHMLEQN-OFNKIYASSA-N 1 0 453.656 4.746 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359811577 1064487640 /nfs/dbraw/zinc/48/76/40/1064487640.db2.gz RTUWWFSEAXIMCK-ZEQRLZLVSA-N 1 0 498.716 4.737 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(NC(C)=O)c1 ZINC001435067084 1064487657 /nfs/dbraw/zinc/48/76/57/1064487657.db2.gz TVZKAZMHVBHNOI-UHFFFAOYSA-N 1 0 450.410 4.865 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359811574 1064487709 /nfs/dbraw/zinc/48/77/09/1064487709.db2.gz RTUWWFSEAXIMCK-BJKOFHAPSA-N 1 0 498.716 4.737 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359814826 1064493799 /nfs/dbraw/zinc/49/37/99/1064493799.db2.gz BNSATRBRAWSAPG-GOTSBHOMSA-N 1 0 467.702 4.721 20 0 JJADRO CCOc1ccc([C@@]2(C(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)CC2(Cl)Cl)cc1 ZINC001435080047 1064501961 /nfs/dbraw/zinc/50/19/61/1064501961.db2.gz MTHLLOAEORYASY-JOCHJYFZSA-N 1 0 453.385 4.630 20 0 JJADRO CCCCSc1ccc(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)cc1C(F)(F)F ZINC001435083048 1064505031 /nfs/dbraw/zinc/50/50/31/1064505031.db2.gz MBCOJDFWXXBBPU-UHFFFAOYSA-N 1 0 453.530 4.964 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001359825798 1064508204 /nfs/dbraw/zinc/50/82/04/1064508204.db2.gz HHLQYFCEOPRXJY-JOCHJYFZSA-N 1 0 457.638 4.834 20 0 JJADRO C[C@H](CNC(=O)COc1ccc2ccccc2c1Br)[N@@H+]1CCc2ccccc2C1 ZINC001359828845 1064510781 /nfs/dbraw/zinc/51/07/81/1064510781.db2.gz NHPLIOHPJIQIAD-QGZVFWFLSA-N 1 0 453.380 4.544 20 0 JJADRO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)cc1 ZINC001435095266 1064511158 /nfs/dbraw/zinc/51/11/58/1064511158.db2.gz QGZXZVWFKKYJBE-RCZVLFRGSA-N 1 0 481.637 4.681 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359833306 1064518435 /nfs/dbraw/zinc/51/84/35/1064518435.db2.gz WBVKZTLUANLQPK-PMACEKPBSA-N 1 0 481.611 4.654 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359833462 1064519298 /nfs/dbraw/zinc/51/92/98/1064519298.db2.gz XXHQAZLRTIUONV-QFIPXVFZSA-N 1 0 490.737 4.728 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359834321 1064520147 /nfs/dbraw/zinc/52/01/47/1064520147.db2.gz APTJHMRKUJPXTF-HSALFYBXSA-N 1 0 473.628 4.781 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001359835126 1064522093 /nfs/dbraw/zinc/52/20/93/1064522093.db2.gz SESRDWZKHLUCIJ-QFIPXVFZSA-N 1 0 472.653 4.571 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001435115957 1064523476 /nfs/dbraw/zinc/52/34/76/1064523476.db2.gz KPXPDIJSNFWRGM-KRWDZBQOSA-N 1 0 454.571 4.774 20 0 JJADRO CC(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001359841161 1064527944 /nfs/dbraw/zinc/52/79/44/1064527944.db2.gz DVBZIBVMJIWEQR-UHFFFAOYSA-N 1 0 469.674 4.536 20 0 JJADRO CC(C)Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001359841378 1064528038 /nfs/dbraw/zinc/52/80/38/1064528038.db2.gz MIEJFDRXNRLABI-UHFFFAOYSA-N 1 0 466.674 4.574 20 0 JJADRO COc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1Cl ZINC001359846847 1064532974 /nfs/dbraw/zinc/53/29/74/1064532974.db2.gz CDIZWMJEMWFZOG-UHFFFAOYSA-N 1 0 453.808 4.634 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001435127779 1064533440 /nfs/dbraw/zinc/53/34/40/1064533440.db2.gz VBXZWWYMWLKQNG-KRWDZBQOSA-N 1 0 450.501 4.876 20 0 JJADRO O=C(CC1CCC2(CC1)OCCO2)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001359847424 1064533683 /nfs/dbraw/zinc/53/36/83/1064533683.db2.gz MLOYFOYKGZGEPX-UHFFFAOYSA-N 1 0 455.426 4.741 20 0 JJADRO CCc1cc(OCC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)ccc1Cl ZINC001359847809 1064534438 /nfs/dbraw/zinc/53/44/38/1064534438.db2.gz XUKHINAXPFUBBN-UHFFFAOYSA-N 1 0 453.808 4.634 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359849053 1064535277 /nfs/dbraw/zinc/53/52/77/1064535277.db2.gz GXVILWVWWPZVES-FGZHOGPDSA-N 1 0 488.671 4.840 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CSCc1ccc(Br)cc1 ZINC001359851176 1064538294 /nfs/dbraw/zinc/53/82/94/1064538294.db2.gz FWPLMSCLZXAPHD-UHFFFAOYSA-N 1 0 457.384 4.551 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCN(C)c1ccccc1F ZINC001359855236 1064542304 /nfs/dbraw/zinc/54/23/04/1064542304.db2.gz HBAQEVFLKKCNAJ-UHFFFAOYSA-N 1 0 470.681 4.843 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001359855319 1064542482 /nfs/dbraw/zinc/54/24/82/1064542482.db2.gz IZSOFABBAYQXSB-UHFFFAOYSA-N 1 0 464.580 4.639 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1sccc1Br ZINC001359855130 1064542547 /nfs/dbraw/zinc/54/25/47/1064542547.db2.gz CPKQHEHCWGNYRI-INIZCTEOSA-N 1 0 466.493 4.660 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359855456 1064543543 /nfs/dbraw/zinc/54/35/43/1064543543.db2.gz NXHRULNLFCDUNA-IBGZPJMESA-N 1 0 479.591 4.777 20 0 JJADRO Cc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)cc1Oc1ccncc1 ZINC001435143951 1064544627 /nfs/dbraw/zinc/54/46/27/1064544627.db2.gz FDWMUIYBBIXVAR-UHFFFAOYSA-N 1 0 459.550 4.650 20 0 JJADRO O=C(Cc1ccc(Br)c(F)c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001359858778 1064546087 /nfs/dbraw/zinc/54/60/87/1064546087.db2.gz RAAZJFRLYABVTG-UHFFFAOYSA-N 1 0 453.783 4.909 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001359859543 1064547728 /nfs/dbraw/zinc/54/77/28/1064547728.db2.gz FMNPDKHFXVAAIG-UHFFFAOYSA-N 1 0 467.702 4.825 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CCCc2ccccc21 ZINC001359859578 1064547967 /nfs/dbraw/zinc/54/79/67/1064547967.db2.gz GZRKOVIQZKOGKJ-JOCHJYFZSA-N 1 0 493.618 4.688 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCCc2ccccc21 ZINC001359859579 1064547993 /nfs/dbraw/zinc/54/79/93/1064547993.db2.gz GZRKOVIQZKOGKJ-QFIPXVFZSA-N 1 0 493.618 4.688 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359860279 1064549445 /nfs/dbraw/zinc/54/94/45/1064549445.db2.gz IFQIOGKUXQASPD-JOCHJYFZSA-N 1 0 476.669 4.808 20 0 JJADRO CSc1cccc(N(C(=O)c2ccc3c(Br)cnn3c2)C2CC[NH+](C)CC2)c1 ZINC001435150184 1064550323 /nfs/dbraw/zinc/55/03/23/1064550323.db2.gz SJVQKRWBIXXOIR-UHFFFAOYSA-N 1 0 459.413 4.560 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359861309 1064550932 /nfs/dbraw/zinc/55/09/32/1064550932.db2.gz QYFFJEMZEOMVBW-GGAORHGYSA-N 1 0 475.628 4.548 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359865453 1064555286 /nfs/dbraw/zinc/55/52/86/1064555286.db2.gz FEVIZZSYKQJROL-WMZOPIPTSA-N 1 0 464.035 4.665 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359865449 1064555342 /nfs/dbraw/zinc/55/53/42/1064555342.db2.gz FEVIZZSYKQJROL-FUHWJXTLSA-N 1 0 464.035 4.665 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CC(C)(C)C[NH+](C)C ZINC001359865542 1064555510 /nfs/dbraw/zinc/55/55/10/1064555510.db2.gz GBWKAWFQPFTPPV-FQEVSTJZSA-N 1 0 467.580 4.661 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359866774 1064558550 /nfs/dbraw/zinc/55/85/50/1064558550.db2.gz ZBUSPPHLRDVITF-IRLDBZIGSA-N 1 0 491.558 4.969 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359866813 1064558628 /nfs/dbraw/zinc/55/86/28/1064558628.db2.gz ZZRHNWAMOHJBHI-MZKRTTBSSA-N 1 0 491.627 4.776 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359866815 1064559321 /nfs/dbraw/zinc/55/93/21/1064559321.db2.gz ZZRHNWAMOHJBHI-VIZSFHNOSA-N 1 0 491.627 4.776 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359868141 1064560260 /nfs/dbraw/zinc/56/02/60/1064560260.db2.gz IARZVPZQAZTPRC-IMSXRSKXSA-N 1 0 471.665 4.950 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359868142 1064560304 /nfs/dbraw/zinc/56/03/04/1064560304.db2.gz IARZVPZQAZTPRC-LGVFNWMJSA-N 1 0 471.665 4.950 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359869194 1064561592 /nfs/dbraw/zinc/56/15/92/1064561592.db2.gz UFYXMNDQZAURHE-ZJSXRUAMSA-N 1 0 451.615 4.558 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(-c3ccc(Br)cc3)n2C)c1 ZINC001359870662 1064562745 /nfs/dbraw/zinc/56/27/45/1064562745.db2.gz LKRQBHKNCXQEEX-UHFFFAOYSA-N 1 0 454.412 4.967 20 0 JJADRO CC1CCC([NH+]2CCN(C(=O)c3ccc(Oc4cccc(Br)c4)nc3)CC2)CC1 ZINC001435170214 1064565125 /nfs/dbraw/zinc/56/51/25/1064565125.db2.gz MYEJTYYAKAELPF-UHFFFAOYSA-N 1 0 458.400 4.973 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001359877988 1064568949 /nfs/dbraw/zinc/56/89/49/1064568949.db2.gz FSJCRLOOERGZOU-FCHUYYIVSA-N 1 0 487.664 4.665 20 0 JJADRO Cc1nc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001435177030 1064570107 /nfs/dbraw/zinc/57/01/07/1064570107.db2.gz YPSFLJXOMNBVQP-HNNXBMFYSA-N 1 0 458.393 4.838 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)c1 ZINC001435177806 1064571050 /nfs/dbraw/zinc/57/10/50/1064571050.db2.gz BAYMMOHZGJJFFY-UHFFFAOYSA-N 1 0 456.974 4.667 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001435188698 1064577729 /nfs/dbraw/zinc/57/77/29/1064577729.db2.gz NSRHEIXFXFXQKW-KRWDZBQOSA-N 1 0 453.892 4.777 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001359884736 1064579306 /nfs/dbraw/zinc/57/93/06/1064579306.db2.gz PZZZRUMJKOQFNR-XMSQKQJNSA-N 1 0 457.569 4.915 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359885501 1064580381 /nfs/dbraw/zinc/58/03/81/1064580381.db2.gz BXVNRXIKWFSSRX-FYYLOGMGSA-N 1 0 457.638 4.989 20 0 JJADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CSc2ccccc2Cl)CC1 ZINC001435192058 1064581005 /nfs/dbraw/zinc/58/10/05/1064581005.db2.gz PUCBCRQMGFKXKM-UHFFFAOYSA-N 1 0 457.949 4.519 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001435196752 1064585073 /nfs/dbraw/zinc/58/50/73/1064585073.db2.gz UKHMPCMSIPYWCG-ITLAICGJSA-N 1 0 477.649 4.592 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001435207475 1064592493 /nfs/dbraw/zinc/59/24/93/1064592493.db2.gz QCPDCQQSFCYOLK-LJQANCHMSA-N 1 0 451.014 4.808 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001545889645 1064606360 /nfs/dbraw/zinc/60/63/60/1064606360.db2.gz CNABIZNBCVTQKZ-UXHICEINSA-N 1 0 484.664 4.724 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC001359900175 1064608471 /nfs/dbraw/zinc/60/84/71/1064608471.db2.gz OJHVHPVTZKVROE-YIXXDRMTSA-N 1 0 455.691 4.864 20 0 JJADRO CC(C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001359903034 1064617205 /nfs/dbraw/zinc/61/72/05/1064617205.db2.gz YMDCVRPYLFOMCN-RTWAWAEBSA-N 1 0 476.065 4.666 20 0 JJADRO Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001359907172 1064623064 /nfs/dbraw/zinc/62/30/64/1064623064.db2.gz XYMCTLFOLJJZDE-UHFFFAOYSA-N 1 0 455.965 4.756 20 0 JJADRO CC(C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001359908029 1064624693 /nfs/dbraw/zinc/62/46/93/1064624693.db2.gz RMJBBIDCGRXWEF-UHFFFAOYSA-N 1 0 474.694 4.503 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)[C@H](C)C1 ZINC001435249708 1064626540 /nfs/dbraw/zinc/62/65/40/1064626540.db2.gz XVTFTPCPHZPQSH-IERDGZPVSA-N 1 0 458.400 4.504 20 0 JJADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCc1csc(Br)c1 ZINC001435254108 1064631136 /nfs/dbraw/zinc/63/11/36/1064631136.db2.gz GXYOCCGMLHHZGS-MAUKXSAKSA-N 1 0 451.430 4.810 20 0 JJADRO C[NH+](C)CCCN(C(=O)c1ccc([C@H]2CCC(=O)N2)cc1)C(c1ccccc1)c1ccccc1 ZINC001359913890 1064632982 /nfs/dbraw/zinc/63/29/82/1064632982.db2.gz OWPTVCUWDHEPRB-AREMUKBSSA-N 1 0 455.602 4.821 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359914270 1064633067 /nfs/dbraw/zinc/63/30/67/1064633067.db2.gz DXRKZVKMTZXCJT-MSOLQXFVSA-N 1 0 465.484 4.649 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001359915042 1064635712 /nfs/dbraw/zinc/63/57/12/1064635712.db2.gz WLVWFDBBVDGJJH-UHFFFAOYSA-N 1 0 485.474 4.617 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)[C@H]1c1cccs1 ZINC001435260956 1064637716 /nfs/dbraw/zinc/63/77/16/1064637716.db2.gz LQUNHEKSWQXTSW-RDJZCZTQSA-N 1 0 450.486 4.630 20 0 JJADRO CCOC(=O)N1[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[C@H]1c1ccc(C)o1 ZINC001435262094 1064638251 /nfs/dbraw/zinc/63/82/51/1064638251.db2.gz ROOISJSBICWJBO-ZVVDCOBXSA-N 1 0 459.612 4.511 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359918345 1064641023 /nfs/dbraw/zinc/64/10/23/1064641023.db2.gz FNTOAJHPAHSIPD-RPBOFIJWSA-N 1 0 453.675 4.957 20 0 JJADRO CC(C)CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCCC1 ZINC001359918146 1064641046 /nfs/dbraw/zinc/64/10/46/1064641046.db2.gz AYEXKDQWSWHLEE-UHFFFAOYSA-N 1 0 476.710 4.751 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359918342 1064641054 /nfs/dbraw/zinc/64/10/54/1064641054.db2.gz FNTOAJHPAHSIPD-DQEYMECFSA-N 1 0 453.675 4.957 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359918485 1064641603 /nfs/dbraw/zinc/64/16/03/1064641603.db2.gz IWWSXXSHUYGFSX-DHIUTWEWSA-N 1 0 490.737 4.995 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359918625 1064641806 /nfs/dbraw/zinc/64/18/06/1064641806.db2.gz LOFLLHLOFXWADS-FGZHOGPDSA-N 1 0 478.726 4.851 20 0 JJADRO CC(C)CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359920633 1064644912 /nfs/dbraw/zinc/64/49/12/1064644912.db2.gz CWFDHAYPKLLVLE-UHFFFAOYSA-N 1 0 459.610 4.749 20 0 JJADRO CC(C)CCN(C)c1nnc(Cc2ccc(F)cc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359920893 1064646110 /nfs/dbraw/zinc/64/61/10/1064646110.db2.gz MTPKPZVMZMQUKO-UHFFFAOYSA-N 1 0 459.679 4.852 20 0 JJADRO CC(C)CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001359921538 1064647621 /nfs/dbraw/zinc/64/76/21/1064647621.db2.gz LMNCBIQOUWXZFN-UHFFFAOYSA-N 1 0 479.138 4.732 20 0 JJADRO CC(C)CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1(C)CCCC1 ZINC001359922023 1064649390 /nfs/dbraw/zinc/64/93/90/1064649390.db2.gz ZUQFBLYYEUCDFR-UHFFFAOYSA-N 1 0 452.691 4.705 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC001435271703 1064650341 /nfs/dbraw/zinc/65/03/41/1064650341.db2.gz HMYJCKYYIDEQMR-FQEVSTJZSA-N 1 0 451.592 4.886 20 0 JJADRO CC(C)CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC001359924672 1064655935 /nfs/dbraw/zinc/65/59/35/1064655935.db2.gz WGSKBCLLWUEBQT-NRFANRHFSA-N 1 0 488.721 4.892 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC001359925245 1064656310 /nfs/dbraw/zinc/65/63/10/1064656310.db2.gz SMZGMXLEDBZETH-XNMGPUDCSA-N 1 0 450.623 4.547 20 0 JJADRO CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001359932895 1064672114 /nfs/dbraw/zinc/67/21/14/1064672114.db2.gz IJHGGHMVFZDRQI-QFIPXVFZSA-N 1 0 486.680 4.598 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)ccc1OC(F)F ZINC001435304739 1064679415 /nfs/dbraw/zinc/67/94/15/1064679415.db2.gz OKFAYBWSLCUHGX-MRXNPFEDSA-N 1 0 453.327 4.645 20 0 JJADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001435308994 1064683295 /nfs/dbraw/zinc/68/32/95/1064683295.db2.gz FXWCLLLLGJTZTR-ZLNRFVROSA-N 1 0 453.583 4.546 20 0 JJADRO CCN(CCOc1ccc(Br)cc1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001435312428 1064685861 /nfs/dbraw/zinc/68/58/61/1064685861.db2.gz FDIUXUIQIKUWED-UHFFFAOYSA-N 1 0 459.428 4.979 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CC2)CC1 ZINC001359947505 1064696378 /nfs/dbraw/zinc/69/63/78/1064696378.db2.gz NILMFSMLPKTAKF-UHFFFAOYSA-N 1 0 463.468 4.640 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001359947313 1064696556 /nfs/dbraw/zinc/69/65/56/1064696556.db2.gz HHLZJMQVCSTETE-UHFFFAOYSA-N 1 0 481.689 4.556 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001359947722 1064697308 /nfs/dbraw/zinc/69/73/08/1064697308.db2.gz NSXJWZIZJKXQDC-UHFFFAOYSA-N 1 0 457.585 4.507 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cnn(C)c3)nnc2N(C)CCc2ccc(Cl)cc2)CC1 ZINC001359947917 1064698704 /nfs/dbraw/zinc/69/87/04/1064698704.db2.gz GSWFPXZLFNCILS-UHFFFAOYSA-N 1 0 484.092 4.769 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccsc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001359948557 1064700337 /nfs/dbraw/zinc/70/03/37/1064700337.db2.gz NWRMEYCFEKWRAG-FQEVSTJZSA-N 1 0 459.704 4.692 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001359948810 1064701120 /nfs/dbraw/zinc/70/11/20/1064701120.db2.gz RFNNWJCIXKJDRH-HXUWFJFHSA-N 1 0 482.595 4.579 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCCCO3)nnc2N2CCC=C(Br)C2)CC1 ZINC001359949195 1064702129 /nfs/dbraw/zinc/70/21/29/1064702129.db2.gz YRGBNJBKQFOZCA-NRFANRHFSA-N 1 0 480.495 4.767 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001359950027 1064703021 /nfs/dbraw/zinc/70/30/21/1064703021.db2.gz CMDGWGGMYMCHAH-VXKWHMMOSA-N 1 0 469.674 4.573 20 0 JJADRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c2cc(Br)ccc2n1 ZINC001435337023 1064708178 /nfs/dbraw/zinc/70/81/78/1064708178.db2.gz CAHHMKLEZNABIP-ZHRRBRCNSA-N 1 0 452.396 4.946 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)s2)c(F)c1 ZINC001435339268 1064709612 /nfs/dbraw/zinc/70/96/12/1064709612.db2.gz MFCSUICILNUBFV-KSFYIVLOSA-N 1 0 453.583 4.907 20 0 JJADRO CSc1cccc([C@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)c2cc(F)ccc2F)c1 ZINC001435340456 1064710153 /nfs/dbraw/zinc/71/01/53/1064710153.db2.gz QGEFTUZWECHXKQ-QHCPKHFHSA-N 1 0 457.546 4.542 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001359952679 1064716233 /nfs/dbraw/zinc/71/62/33/1064716233.db2.gz ZQKJAOYKLPJVQX-XUZZJYLKSA-N 1 0 469.674 4.573 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001359952677 1064716350 /nfs/dbraw/zinc/71/63/50/1064716350.db2.gz ZQKJAOYKLPJVQX-QPPBQGQZSA-N 1 0 469.674 4.573 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC001359954741 1064720931 /nfs/dbraw/zinc/72/09/31/1064720931.db2.gz ONMKEJBNLJNIDF-UHFFFAOYSA-N 1 0 475.722 4.642 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCC(C)(C)O)cc1 ZINC001359954810 1064721432 /nfs/dbraw/zinc/72/14/32/1064721432.db2.gz LRFUYEISDGLBDT-UHFFFAOYSA-N 1 0 483.701 4.986 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001435379294 1064730701 /nfs/dbraw/zinc/73/07/01/1064730701.db2.gz LHODLAYAFLXZDQ-NVXWUHKLSA-N 1 0 459.928 4.641 20 0 JJADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435386914 1064734465 /nfs/dbraw/zinc/73/44/65/1064734465.db2.gz OGWNCNAVNWMXFJ-UWJYYQICSA-N 1 0 456.512 4.982 20 0 JJADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435386912 1064734510 /nfs/dbraw/zinc/73/45/10/1064734510.db2.gz OGWNCNAVNWMXFJ-UTKZUKDTSA-N 1 0 456.512 4.982 20 0 JJADRO CC(C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001359967323 1064742892 /nfs/dbraw/zinc/74/28/92/1064742892.db2.gz PNDSTVITUPUJOA-UKILVPOCSA-N 1 0 469.674 4.683 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359976398 1064753263 /nfs/dbraw/zinc/75/32/63/1064753263.db2.gz PWSPKERDAWOBLD-ZRZAMGCNSA-N 1 0 463.674 4.981 20 0 JJADRO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1)C(C)C ZINC001359982394 1064757709 /nfs/dbraw/zinc/75/77/09/1064757709.db2.gz BVHTUWCFKIPGJY-OAQYLSRUSA-N 1 0 454.663 4.514 20 0 JJADRO CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359983047 1064759061 /nfs/dbraw/zinc/75/90/61/1064759061.db2.gz PHTFSHFSOTWFNX-FQEVSTJZSA-N 1 0 462.683 4.564 20 0 JJADRO CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001359983123 1064759707 /nfs/dbraw/zinc/75/97/07/1064759707.db2.gz RVMRPZCSQGESTR-QFIPXVFZSA-N 1 0 470.662 4.552 20 0 JJADRO CC(C)CN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC001359984562 1064761991 /nfs/dbraw/zinc/76/19/91/1064761991.db2.gz ANFOWZBMBCPDMB-VWLOTQADSA-N 1 0 479.673 4.563 20 0 JJADRO CC(C)CN(c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCOCC1)C1CCCC1 ZINC001359984867 1064763214 /nfs/dbraw/zinc/76/32/14/1064763214.db2.gz DEQPWWJPTCVBBR-UHFFFAOYSA-N 1 0 493.494 4.552 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+](C)C)Cc2ccccc2C1)C(C)C ZINC001359986069 1064765985 /nfs/dbraw/zinc/76/59/85/1064765985.db2.gz XSNYRBFCGROOAE-UHFFFAOYSA-N 1 0 467.061 4.964 20 0 JJADRO CC(C)CN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C)C1CCCC1 ZINC001359987734 1064768733 /nfs/dbraw/zinc/76/87/33/1064768733.db2.gz VPJRGJMYUVYRLV-QHCPKHFHSA-N 1 0 453.610 4.526 20 0 JJADRO CC(C)CN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1)C(C)C ZINC001359990421 1064772133 /nfs/dbraw/zinc/77/21/33/1064772133.db2.gz YIXLMDPYGQIHKH-NRFANRHFSA-N 1 0 476.710 4.748 20 0 JJADRO CC(C)CN(c1nnc(Cc2ccccc2F)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC001359991485 1064773344 /nfs/dbraw/zinc/77/33/44/1064773344.db2.gz ZYRAHWATWHBWFR-NHCUHLMSSA-N 1 0 459.654 4.767 20 0 JJADRO Cc1cccc(COc2cccc(CC(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cn3)c2)c1 ZINC001435475400 1064779482 /nfs/dbraw/zinc/77/94/82/1064779482.db2.gz ARGMDFIEVKFADD-UHFFFAOYSA-N 1 0 458.606 4.681 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)Nc1cccn(Cc2ccccc2)c1=O)c1cccc(C(F)(F)F)c1 ZINC001435481236 1064782266 /nfs/dbraw/zinc/78/22/66/1064782266.db2.gz CFUKVIKONXENSV-JOCHJYFZSA-N 1 0 457.496 4.937 20 0 JJADRO CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001360001453 1064787497 /nfs/dbraw/zinc/78/74/97/1064787497.db2.gz OVQPTTCBHAWOIB-LADGPHEKSA-N 1 0 496.700 4.759 20 0 JJADRO CC(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001360001454 1064787621 /nfs/dbraw/zinc/78/76/21/1064787621.db2.gz OVQPTTCBHAWOIB-UPVQGACJSA-N 1 0 496.700 4.759 20 0 JJADRO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001360006079 1064792758 /nfs/dbraw/zinc/79/27/58/1064792758.db2.gz JZTQAXMUIFQUSQ-ZRZAMGCNSA-N 1 0 496.700 4.806 20 0 JJADRO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001360006942 1064793926 /nfs/dbraw/zinc/79/39/26/1064793926.db2.gz YUZNDDHUEKWRBD-ODAXIHTASA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)c2ccccc2)C1 ZINC001360007381 1064794652 /nfs/dbraw/zinc/79/46/52/1064794652.db2.gz BWSVYVBUABOMMK-GOTSBHOMSA-N 1 0 489.668 4.533 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1Cl ZINC001435510268 1064796643 /nfs/dbraw/zinc/79/66/43/1064796643.db2.gz QIUZQUIXRSZOGH-UHFFFAOYSA-N 1 0 457.789 4.756 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360008426 1064797160 /nfs/dbraw/zinc/79/71/60/1064797160.db2.gz QWDWMXAUFJSNHW-LNRXMEIDSA-N 1 0 473.637 4.539 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cnn(C)c3)nnc2N(Cc2cccs2)C(C)C)C1 ZINC001360009996 1064800885 /nfs/dbraw/zinc/80/08/85/1064800885.db2.gz IQWNKWIECHPWMZ-FQEVSTJZSA-N 1 0 455.676 4.523 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N2CCC=C(Br)C2)C1 ZINC001360010728 1064804407 /nfs/dbraw/zinc/80/44/07/1064804407.db2.gz VGJWVMIYYBGEIS-GOSISDBHSA-N 1 0 450.469 4.793 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C3CCC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010738 1064804561 /nfs/dbraw/zinc/80/45/61/1064804561.db2.gz VHIBUDIPORAKAS-VXKWHMMOSA-N 1 0 488.721 4.607 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C3CCC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010739 1064804719 /nfs/dbraw/zinc/80/47/19/1064804719.db2.gz VHIBUDIPORAKAS-YADHBBJMSA-N 1 0 488.721 4.607 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCC[C@H]2C(C)C)C1 ZINC001360011313 1064805149 /nfs/dbraw/zinc/80/51/49/1064805149.db2.gz BRPAXQZUIVEESC-GMAHTHKFSA-N 1 0 457.638 4.989 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360010934 1064805350 /nfs/dbraw/zinc/80/53/50/1064805350.db2.gz YNAARUWKYLGYIG-QUCCMNQESA-N 1 0 457.585 4.666 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@@H]2CCOC2)C1 ZINC001360011718 1064806455 /nfs/dbraw/zinc/80/64/55/1064806455.db2.gz HHOXXQBYPMNVQS-RPWUZVMVSA-N 1 0 497.728 4.995 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](C)CC2)C1 ZINC001360011909 1064807093 /nfs/dbraw/zinc/80/70/93/1064807093.db2.gz KBXCGNABLNBIIB-ZEQRLZLVSA-N 1 0 453.675 4.894 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)Cc2ccccc2)C1 ZINC001360012064 1064807248 /nfs/dbraw/zinc/80/72/48/1064807248.db2.gz LTFFSRYYBGOCFW-TWJOJJKGSA-N 1 0 497.728 4.564 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001360012232 1064808303 /nfs/dbraw/zinc/80/83/03/1064808303.db2.gz NJKNXNRRIFGEFN-HXUWFJFHSA-N 1 0 473.090 4.983 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC001360012332 1064808937 /nfs/dbraw/zinc/80/89/37/1064808937.db2.gz POQYGRYBRZZMHE-JTHBVZDNSA-N 1 0 462.642 4.535 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2cccc(O)c2)C1 ZINC001360012329 1064809093 /nfs/dbraw/zinc/80/90/93/1064809093.db2.gz POQYGRYBRZZMHE-FYYLOGMGSA-N 1 0 462.642 4.535 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3CCC(C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001360012899 1064810973 /nfs/dbraw/zinc/81/09/73/1064810973.db2.gz ZBYGHHOWDUIPCE-HOFKKMOUSA-N 1 0 475.722 4.559 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCC2CCOCC2)CC1 ZINC001360015777 1064814610 /nfs/dbraw/zinc/81/46/10/1064814610.db2.gz SLPSHWNUGKZSQI-OAQYLSRUSA-N 1 0 473.637 4.542 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCC2CCOCC2)CC1 ZINC001360015775 1064814823 /nfs/dbraw/zinc/81/48/23/1064814823.db2.gz SLPSHWNUGKZSQI-NRFANRHFSA-N 1 0 473.637 4.542 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[C@H]2CCCCO2)CC1 ZINC001360018406 1064819315 /nfs/dbraw/zinc/81/93/15/1064819315.db2.gz ONUTXWPQNSWEEM-JOCHJYFZSA-N 1 0 490.490 4.835 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360018626 1064820112 /nfs/dbraw/zinc/82/01/12/1064820112.db2.gz UABBZDAKABPEKW-FGZHOGPDSA-N 1 0 453.675 4.836 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360018624 1064820142 /nfs/dbraw/zinc/82/01/42/1064820142.db2.gz UABBZDAKABPEKW-FCHUYYIVSA-N 1 0 453.675 4.836 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(F)cccc2Cl)CC1 ZINC001360018408 1064820203 /nfs/dbraw/zinc/82/02/03/1064820203.db2.gz OPONCKTVXBZYEA-UHFFFAOYSA-N 1 0 495.828 4.655 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCSC2)CC1 ZINC001360019039 1064821784 /nfs/dbraw/zinc/82/17/84/1064821784.db2.gz YOYYYMDFTYECHK-MRXNPFEDSA-N 1 0 484.533 4.690 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001360021802 1064825470 /nfs/dbraw/zinc/82/54/70/1064825470.db2.gz RZKFEAHEFIGMND-UHFFFAOYSA-N 1 0 492.430 4.676 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc4cccc(Br)c4n3)cc2)CC1 ZINC001435557991 1064829860 /nfs/dbraw/zinc/82/98/60/1064829860.db2.gz NGRJHCOYKHVMMB-UHFFFAOYSA-N 1 0 453.384 4.780 20 0 JJADRO O=C(c1ccc(Br)cn1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001360028539 1064830338 /nfs/dbraw/zinc/83/03/38/1064830338.db2.gz LDVNPIDGQMXDTM-UHFFFAOYSA-N 1 0 457.199 4.889 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CC3CC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360029406 1064830936 /nfs/dbraw/zinc/83/09/36/1064830936.db2.gz QPTDDGQRLLFKCK-NRFANRHFSA-N 1 0 453.528 4.630 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360030146 1064832133 /nfs/dbraw/zinc/83/21/33/1064832133.db2.gz DWRHTCXAKXADBK-UHFFFAOYSA-N 1 0 473.109 4.565 20 0 JJADRO Cc1ccc(-n2nc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)c(F)c3)c3c2CCCC3)cc1 ZINC001360031630 1064833751 /nfs/dbraw/zinc/83/37/51/1064833751.db2.gz BTDNAGJYOQLZHT-UHFFFAOYSA-N 1 0 452.549 4.542 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(F)cn2)CC1 ZINC001360032231 1064834628 /nfs/dbraw/zinc/83/46/28/1064834628.db2.gz TYVLOXIUKBVYTB-UHFFFAOYSA-N 1 0 480.632 4.515 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360034697 1064839289 /nfs/dbraw/zinc/83/92/89/1064839289.db2.gz GXNDIZGTPWNKKF-KNQAVFIVSA-N 1 0 460.066 4.828 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC2CCC2)C1 ZINC001360035181 1064839943 /nfs/dbraw/zinc/83/99/43/1064839943.db2.gz LALRMRBYYKEHDB-AUSIDOKSSA-N 1 0 476.065 4.665 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CC(C)(C)C)C1 ZINC001360035242 1064840073 /nfs/dbraw/zinc/84/00/73/1064840073.db2.gz LHIFVJRQEJRVEZ-HXUWFJFHSA-N 1 0 478.479 4.547 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C)[C@H](C)C2)C1 ZINC001360035145 1064840209 /nfs/dbraw/zinc/84/02/09/1064840209.db2.gz KKWHFNDUTANDAS-KURKYZTESA-N 1 0 496.519 4.608 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CC(C)(C)C)C1 ZINC001360035241 1064840416 /nfs/dbraw/zinc/84/04/16/1064840416.db2.gz LHIFVJRQEJRVEZ-FQEVSTJZSA-N 1 0 478.479 4.547 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cccs2)C1 ZINC001360035721 1064841493 /nfs/dbraw/zinc/84/14/93/1064841493.db2.gz PWEDGSQAFSTSFQ-FQEVSTJZSA-N 1 0 460.047 4.653 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCCC2(C)C)C1 ZINC001360036053 1064843241 /nfs/dbraw/zinc/84/32/41/1064843241.db2.gz RXPNCSQASUVMPQ-GOSISDBHSA-N 1 0 494.453 4.582 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)CCc2cccs2)C1 ZINC001360036051 1064843460 /nfs/dbraw/zinc/84/34/60/1064843460.db2.gz RWIFAJCYNUTCNC-NRFANRHFSA-N 1 0 474.074 4.696 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)CC[C@@H]2C)C1 ZINC001360036047 1064843484 /nfs/dbraw/zinc/84/34/84/1064843484.db2.gz RVLLQSCIKASABB-CMOCDZPBSA-N 1 0 473.637 4.539 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360036178 1064844021 /nfs/dbraw/zinc/84/40/21/1064844021.db2.gz UYCWXEUIXDJGPL-HXUWFJFHSA-N 1 0 485.982 4.734 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(N(C)CCCc3cc(-c4ccccc4)no3)nnc2C(C)(C)C)C1 ZINC001360038456 1064849363 /nfs/dbraw/zinc/84/93/63/1064849363.db2.gz GBOHGAFDTNPKHJ-DEOSSOPVSA-N 1 0 494.684 4.656 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)c2ccccc2CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001435586363 1064851195 /nfs/dbraw/zinc/85/11/95/1064851195.db2.gz MIADKKYAVZNGTB-UNMCSNQZSA-N 1 0 451.611 4.742 20 0 JJADRO COc1ccc(CCC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001435587521 1064851313 /nfs/dbraw/zinc/85/13/13/1064851313.db2.gz RKRYDECDTPSILI-AZUAARDMSA-N 1 0 459.428 4.807 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001435586398 1064851359 /nfs/dbraw/zinc/85/13/59/1064851359.db2.gz MVIVNHBRSZXUJJ-AEFFLSMTSA-N 1 0 458.393 4.605 20 0 JJADRO C[C@H]1C[C@@H](CCNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001435586400 1064851459 /nfs/dbraw/zinc/85/14/59/1064851459.db2.gz MVIVNHBRSZXUJJ-FUHWJXTLSA-N 1 0 458.393 4.605 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001435588021 1064852822 /nfs/dbraw/zinc/85/28/22/1064852822.db2.gz USPZEDPNWZRLKZ-RDJZCZTQSA-N 1 0 454.464 4.920 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cc3ccc(OC)cc3s2)ccc1Cl ZINC001435590461 1064855929 /nfs/dbraw/zinc/85/59/29/1064855929.db2.gz AZTFDMZMKKDNMD-UHFFFAOYSA-N 1 0 459.999 4.887 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)c2cccs2)C1 ZINC001360040906 1064857046 /nfs/dbraw/zinc/85/70/46/1064857046.db2.gz VFLYESMCHOJLLX-UYAOXDASSA-N 1 0 459.685 4.546 20 0 JJADRO CC(C)COC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC001360044828 1064864223 /nfs/dbraw/zinc/86/42/23/1064864223.db2.gz WNVQSXBEFSZTBV-UHFFFAOYSA-N 1 0 496.700 4.524 20 0 JJADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC001435599826 1064864358 /nfs/dbraw/zinc/86/43/58/1064864358.db2.gz BZBOUFUZBIQEPO-SFHVURJKSA-N 1 0 459.377 4.963 20 0 JJADRO CC1CC[NH+](CCc2cccc(NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)c2)CC1 ZINC001435601337 1064865780 /nfs/dbraw/zinc/86/57/80/1064865780.db2.gz WIXNRHWFYQTSLD-UHFFFAOYSA-N 1 0 457.500 4.813 20 0 JJADRO CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(C3CCCC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001360048927 1064870021 /nfs/dbraw/zinc/87/00/21/1064870021.db2.gz KUWBFVHECNNVOJ-FPOVZHCZSA-N 1 0 487.693 4.809 20 0 JJADRO Cc1cc(NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001435613228 1064875955 /nfs/dbraw/zinc/87/59/55/1064875955.db2.gz BNLQYRQNCJQRSF-RJGXRXQPSA-N 1 0 481.641 4.661 20 0 JJADRO CC(C)COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC001360050577 1064876111 /nfs/dbraw/zinc/87/61/11/1064876111.db2.gz WRWXIKXUIFQVAD-JOCHJYFZSA-N 1 0 483.701 4.639 20 0 JJADRO Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001435614046 1064877454 /nfs/dbraw/zinc/87/74/54/1064877454.db2.gz RCIMQFNLEAYYQZ-ISKFKSNPSA-N 1 0 452.002 4.533 20 0 JJADRO Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001435614048 1064877746 /nfs/dbraw/zinc/87/77/46/1064877746.db2.gz RCIMQFNLEAYYQZ-UPVQGACJSA-N 1 0 452.002 4.533 20 0 JJADRO Cc1cc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)cc1Br ZINC001435616532 1064878332 /nfs/dbraw/zinc/87/83/32/1064878332.db2.gz DLRDGZPIISLJAO-LJQANCHMSA-N 1 0 453.384 4.962 20 0 JJADRO CC(C)COc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360055375 1064884911 /nfs/dbraw/zinc/88/49/11/1064884911.db2.gz SCLJYQNKJFYKFN-XMMPIXPASA-N 1 0 469.674 4.771 20 0 JJADRO O=C(NCC1(CC(=O)N2CC[NH+](C3CCCCC3)CC2)CCCCC1)OCc1ccccc1 ZINC001435628642 1064890224 /nfs/dbraw/zinc/89/02/24/1064890224.db2.gz GRIKIEYKHWNUNY-UHFFFAOYSA-N 1 0 455.643 4.730 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C2CCCC2)C1 ZINC001360058601 1064895390 /nfs/dbraw/zinc/89/53/90/1064895390.db2.gz TWIWDRBWSVUEDX-HXUWFJFHSA-N 1 0 464.029 4.863 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001360058826 1064896106 /nfs/dbraw/zinc/89/61/06/1064896106.db2.gz WUPUDHOESZDXDY-NRFANRHFSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360061770 1064900947 /nfs/dbraw/zinc/90/09/47/1064900947.db2.gz BNYRORIMFJDPJL-LEWJYISDSA-N 1 0 475.628 4.663 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC001360061702 1064901216 /nfs/dbraw/zinc/90/12/16/1064901216.db2.gz AKNBZHNQBWQLBB-PQNGQFLHSA-N 1 0 459.704 4.873 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001360066247 1064909023 /nfs/dbraw/zinc/90/90/23/1064909023.db2.gz LXYMCPKJFGFAMK-PMACEKPBSA-N 1 0 459.685 4.546 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001360067532 1064912365 /nfs/dbraw/zinc/91/23/65/1064912365.db2.gz XIXOLSOEZVGOOB-NRFANRHFSA-N 1 0 476.090 4.737 20 0 JJADRO CC(C)COCCCn1c(-c2ccccc2Br)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001360069585 1064914834 /nfs/dbraw/zinc/91/48/34/1064914834.db2.gz ODIICBBGOBSLLP-UHFFFAOYSA-N 1 0 490.490 4.835 20 0 JJADRO CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)co1 ZINC001435661953 1064916053 /nfs/dbraw/zinc/91/60/53/1064916053.db2.gz KTZGYDXPDZCUAH-SFOYCPBASA-N 1 0 450.579 4.665 20 0 JJADRO CC(C)COCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001360072966 1064917974 /nfs/dbraw/zinc/91/79/74/1064917974.db2.gz DCHWAFDALHNDEI-FQEVSTJZSA-N 1 0 475.628 4.520 20 0 JJADRO CC(C)COCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001360074253 1064920535 /nfs/dbraw/zinc/92/05/35/1064920535.db2.gz LDUVDJGGYQLHCT-XMMPIXPASA-N 1 0 483.701 4.892 20 0 JJADRO CC(C)CSCCCn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001360076172 1064924395 /nfs/dbraw/zinc/92/43/95/1064924395.db2.gz HRABXTKFXJXQRZ-UHFFFAOYSA-N 1 0 464.683 4.832 20 0 JJADRO CC(C)CSCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001360076412 1064925799 /nfs/dbraw/zinc/92/57/99/1064925799.db2.gz OXWALEQOBOULDB-UHFFFAOYSA-N 1 0 473.735 4.550 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001435675414 1064928033 /nfs/dbraw/zinc/92/80/33/1064928033.db2.gz VSQSUSANQBTIAQ-DNQXCXABSA-N 1 0 457.659 4.832 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1)C[C@@H]1CCCCO1 ZINC001435676222 1064928577 /nfs/dbraw/zinc/92/85/77/1064928577.db2.gz ZPFJTOUKLVRHBB-NRFANRHFSA-N 1 0 452.555 4.680 20 0 JJADRO CC(C)CSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001360082527 1064942295 /nfs/dbraw/zinc/94/22/95/1064942295.db2.gz DPQLTGQEFKKKEZ-UHFFFAOYSA-N 1 0 452.043 4.801 20 0 JJADRO CC(C)CSCCn1c(-c2ccccc2Cl)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001360082779 1064942701 /nfs/dbraw/zinc/94/27/01/1064942701.db2.gz MFAJDPSZTFPFDR-UHFFFAOYSA-N 1 0 478.106 4.536 20 0 JJADRO CC(C)CSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001360085553 1064947514 /nfs/dbraw/zinc/94/75/14/1064947514.db2.gz COWNOGLKYIRVQL-DHIUTWEWSA-N 1 0 457.688 4.620 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001435712021 1064951372 /nfs/dbraw/zinc/95/13/72/1064951372.db2.gz SVMBUYIRQKNUQP-WNCULLNHSA-N 1 0 470.658 4.716 20 0 JJADRO O=C(Cc1cccnc1)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC001360087099 1064951356 /nfs/dbraw/zinc/95/13/56/1064951356.db2.gz HKLZRJHWVVGPIB-UHFFFAOYSA-N 1 0 456.590 4.569 20 0 JJADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001360088925 1064954615 /nfs/dbraw/zinc/95/46/15/1064954615.db2.gz CYYUWJNLKWHLQH-VWLOTQADSA-N 1 0 494.728 4.666 20 0 JJADRO Cc1c(C(=O)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cccc1-c1ccccn1 ZINC001435722603 1064955127 /nfs/dbraw/zinc/95/51/27/1064955127.db2.gz DGBDINDQJDGOPN-VXKWHMMOSA-N 1 0 457.618 4.996 20 0 JJADRO CC(C)CSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360089035 1064955253 /nfs/dbraw/zinc/95/52/53/1064955253.db2.gz HHBKCUICEWFCCM-NRFANRHFSA-N 1 0 494.750 4.660 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)/C=C/c3cnc(C(C)(C)C)s3)cc2)C[C@H]1C ZINC001435723557 1064956336 /nfs/dbraw/zinc/95/63/36/1064956336.db2.gz JTYHUWZSTGTSGG-SWLLKCQXSA-N 1 0 455.668 4.779 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360091840 1064959187 /nfs/dbraw/zinc/95/91/87/1064959187.db2.gz IHZLZYHDSDCKQI-JOCHJYFZSA-N 1 0 454.569 4.710 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(N2CCN(Cc3ccsc3)CC2)nnc1C(C)(C)C ZINC001360092395 1064960644 /nfs/dbraw/zinc/96/06/44/1064960644.db2.gz DNAAKSHPWBUYNP-UHFFFAOYSA-N 1 0 480.726 4.848 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360092408 1064961195 /nfs/dbraw/zinc/96/11/95/1064961195.db2.gz DXGDERJTWIKZJW-VXKWHMMOSA-N 1 0 461.601 4.890 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001360092496 1064961397 /nfs/dbraw/zinc/96/13/97/1064961397.db2.gz HQDDFJWHSCFNBB-UHFFFAOYSA-N 1 0 496.656 4.773 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1nccs1 ZINC001360092565 1064962385 /nfs/dbraw/zinc/96/23/85/1064962385.db2.gz KAVJMSHMQXUJNE-JOCHJYFZSA-N 1 0 468.671 4.544 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360092842 1064964151 /nfs/dbraw/zinc/96/41/51/1064964151.db2.gz UYKVOCLOUUKESO-QHCPKHFHSA-N 1 0 458.654 4.945 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001360095112 1064968368 /nfs/dbraw/zinc/96/83/68/1064968368.db2.gz XRSQGEIBVYDNGA-UHFFFAOYSA-N 1 0 460.548 4.897 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001360095384 1064969325 /nfs/dbraw/zinc/96/93/25/1064969325.db2.gz HKKDVMXSPXMAJG-RSXGOPAZSA-N 1 0 482.717 4.662 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360095290 1064969440 /nfs/dbraw/zinc/96/94/40/1064969440.db2.gz DLFKQWGHAUVDCE-AQYVVDRMSA-N 1 0 461.601 4.691 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001360095688 1064970553 /nfs/dbraw/zinc/97/05/53/1064970553.db2.gz ONSXHNXQKGSHMB-RUZDIDTESA-N 1 0 459.704 4.537 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2CCOCC2)CC1 ZINC001360095872 1064970755 /nfs/dbraw/zinc/97/07/55/1064970755.db2.gz SHPWWHOWVLYIRF-UHFFFAOYSA-N 1 0 475.628 4.520 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(Cl)nc2)CC1 ZINC001360096010 1064971475 /nfs/dbraw/zinc/97/14/75/1064971475.db2.gz UVNDTFSKUXUOGO-UHFFFAOYSA-N 1 0 459.063 4.584 20 0 JJADRO Cc1cc(Br)c(CC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC001435749992 1064973969 /nfs/dbraw/zinc/97/39/69/1064973969.db2.gz WPFBHIMJYSQTOG-BFUOFWGJSA-N 1 0 459.812 4.963 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1Cc1cccs1 ZINC001360097383 1064974040 /nfs/dbraw/zinc/97/40/40/1064974040.db2.gz FVAKNRWSSMSISB-LJQANCHMSA-N 1 0 459.063 4.997 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360097449 1064974769 /nfs/dbraw/zinc/97/47/69/1064974769.db2.gz HYRAFCOVTMBTKY-LJQANCHMSA-N 1 0 491.080 4.680 20 0 JJADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)ccn1 ZINC001435751126 1064975233 /nfs/dbraw/zinc/97/52/33/1064975233.db2.gz VCCKQMQTGRMJDM-UHFFFAOYSA-N 1 0 450.391 4.987 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001360097925 1064976246 /nfs/dbraw/zinc/97/62/46/1064976246.db2.gz FJFFFZRJAGQGOC-ISKFKSNPSA-N 1 0 450.631 4.608 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360097699 1064976553 /nfs/dbraw/zinc/97/65/53/1064976553.db2.gz QMONSAWKUPXBMV-INIZCTEOSA-N 1 0 454.446 4.986 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001360097966 1064977297 /nfs/dbraw/zinc/97/72/97/1064977297.db2.gz WNYRVWDUHUDHIS-XZOQPEGZSA-N 1 0 453.675 4.836 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)OCc1ccn(-c2c(F)cccc2F)n1 ZINC001435752588 1064977226 /nfs/dbraw/zinc/97/72/26/1064977226.db2.gz JKVLDCNIXZVQLP-IFMALSPDSA-N 1 0 453.533 4.988 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(C2CCCC2)nnc1N1C[C@@H](CC2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360099716 1064978959 /nfs/dbraw/zinc/97/89/59/1064978959.db2.gz BCLCYVINHOPESF-DHIUTWEWSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1Cc2cccc(Br)c2C1 ZINC001360101002 1064980962 /nfs/dbraw/zinc/98/09/62/1064980962.db2.gz BKPSNTOEDKEWMN-UHFFFAOYSA-N 1 0 474.472 4.943 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001360101166 1064981098 /nfs/dbraw/zinc/98/10/98/1064981098.db2.gz HAJOEBGWKLSKFW-AREMUKBSSA-N 1 0 497.087 4.598 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001360101360 1064981642 /nfs/dbraw/zinc/98/16/42/1064981642.db2.gz MGQULZIMIASRLW-UHFFFAOYSA-N 1 0 490.483 4.944 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360103460 1064983286 /nfs/dbraw/zinc/98/32/86/1064983286.db2.gz MITSCMDVMGEGEI-UHFFFAOYSA-N 1 0 457.516 4.505 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001360103521 1064983307 /nfs/dbraw/zinc/98/33/07/1064983307.db2.gz OJKACDMMXMBNNP-OAQYLSRUSA-N 1 0 488.671 4.903 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001360103860 1064984255 /nfs/dbraw/zinc/98/42/55/1064984255.db2.gz AULZOSSJDLAJME-KRWDZBQOSA-N 1 0 459.436 4.584 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360104470 1064986042 /nfs/dbraw/zinc/98/60/42/1064986042.db2.gz SARIWCGMTZIQCN-UHFFFAOYSA-N 1 0 466.811 4.931 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1cccs1 ZINC001360104855 1064986595 /nfs/dbraw/zinc/98/65/95/1064986595.db2.gz YZWVRSSIYVWPCB-KRWDZBQOSA-N 1 0 477.476 4.789 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc3ccccc3o2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360104777 1064986740 /nfs/dbraw/zinc/98/67/40/1064986740.db2.gz WWNWRKNNLDONQS-UHFFFAOYSA-N 1 0 496.656 4.867 20 0 JJADRO CC(=O)Nc1cc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc(C(F)(F)F)c1 ZINC001435774964 1064986560 /nfs/dbraw/zinc/98/65/60/1064986560.db2.gz MJYOFBNAQIFEFG-UHFFFAOYSA-N 1 0 459.512 4.792 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360107031 1064988781 /nfs/dbraw/zinc/98/87/81/1064988781.db2.gz ZUPZGDOCSXBAKU-KRWDZBQOSA-N 1 0 464.427 4.979 20 0 JJADRO CCCN(CC)c1ccc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)cc1 ZINC001435783588 1064990428 /nfs/dbraw/zinc/99/04/28/1064990428.db2.gz NIWOSMPUZRHORN-UHFFFAOYSA-N 1 0 459.432 4.690 20 0 JJADRO CC(C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N(C)Cc1csc(Br)c1 ZINC001360109754 1064991716 /nfs/dbraw/zinc/99/17/16/1064991716.db2.gz DPESGABEOUQCHN-UHFFFAOYSA-N 1 0 480.451 4.809 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001360112497 1064994215 /nfs/dbraw/zinc/99/42/15/1064994215.db2.gz GBYONBKJLMKMSU-RUZDIDTESA-N 1 0 483.701 4.890 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001360113010 1064994625 /nfs/dbraw/zinc/99/46/25/1064994625.db2.gz QFECNOBHJOQSBH-PZJWPPBQSA-N 1 0 482.456 4.652 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001360113011 1064994684 /nfs/dbraw/zinc/99/46/84/1064994684.db2.gz QFECNOBHJOQSBH-TZIWHRDSSA-N 1 0 482.456 4.652 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001360113249 1064995037 /nfs/dbraw/zinc/99/50/37/1064995037.db2.gz UMDAYGDSCNKHLA-YLJYHZDGSA-N 1 0 482.456 4.509 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CC2CCCC2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001360113205 1064995069 /nfs/dbraw/zinc/99/50/69/1064995069.db2.gz RZGVRHFMSOCABM-UHFFFAOYSA-N 1 0 460.464 4.676 20 0 JJADRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H](Oc3ccc(Br)cc3)c3ccccc3)C2)CC1 ZINC001435797188 1064995082 /nfs/dbraw/zinc/99/50/82/1064995082.db2.gz LVDAZSGNDNSYQV-OFNKIYASSA-N 1 0 457.412 4.760 20 0 JJADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+](C)C1CCCCC1 ZINC001360113687 1064995749 /nfs/dbraw/zinc/99/57/49/1064995749.db2.gz KTTMEUUPQNRRCQ-UHFFFAOYSA-N 1 0 493.631 4.744 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001360113922 1064996129 /nfs/dbraw/zinc/99/61/29/1064996129.db2.gz SQPJVIFMAVAJCS-UHFFFAOYSA-N 1 0 488.105 4.682 20 0 JJADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CC[NH+](C(C)C)C(C)C ZINC001360113967 1064996334 /nfs/dbraw/zinc/99/63/34/1064996334.db2.gz UUUQGJMDTKNFCO-UHFFFAOYSA-N 1 0 484.620 4.679 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001435805702 1065001684 /nfs/dbraw/zinc/00/16/84/1065001684.db2.gz QVKKHYLNRUCMIT-KPZWWZAWSA-N 1 0 459.281 4.857 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCCC1 ZINC001360118553 1065004378 /nfs/dbraw/zinc/00/43/78/1065004378.db2.gz KKSYMQWVOFXQPW-UHFFFAOYSA-N 1 0 475.435 4.918 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001360120192 1065007742 /nfs/dbraw/zinc/00/77/42/1065007742.db2.gz YBGGCIZOUUPEPX-NZQKXSOJSA-N 1 0 455.578 4.622 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001360120193 1065007808 /nfs/dbraw/zinc/00/78/08/1065007808.db2.gz YBGGCIZOUUPEPX-OFNKIYASSA-N 1 0 455.578 4.622 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c1 ZINC001435828691 1065012543 /nfs/dbraw/zinc/01/25/43/1065012543.db2.gz ZDEPMYQKCNKOQU-UHFFFAOYSA-N 1 0 455.558 4.610 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CC(F)C1)C(C)C ZINC001360123387 1065014128 /nfs/dbraw/zinc/01/41/28/1065014128.db2.gz GWFCXAQJDJLGHP-UHFFFAOYSA-N 1 0 469.447 4.729 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1[C@H]1CCCO1)C(C)C ZINC001360123362 1065014424 /nfs/dbraw/zinc/01/44/24/1065014424.db2.gz GCGFKSLTWMYYKK-NHCUHLMSSA-N 1 0 493.494 4.692 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C(C)C ZINC001360123709 1065014825 /nfs/dbraw/zinc/01/48/25/1065014825.db2.gz LPBRIVQVHBNPTH-HHHXNRCGSA-N 1 0 485.673 4.824 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CCC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1)C(C)C ZINC001360125341 1065017662 /nfs/dbraw/zinc/01/76/62/1065017662.db2.gz HDYUUXIAEAYCCS-UHFFFAOYSA-N 1 0 471.665 4.768 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C ZINC001360125310 1065017751 /nfs/dbraw/zinc/01/77/51/1065017751.db2.gz FYGFPHPQFLXQCJ-HXUWFJFHSA-N 1 0 479.673 4.975 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1CCC[C@@H]1Cc1cccs1)C(C)C ZINC001360125294 1065017762 /nfs/dbraw/zinc/01/77/62/1065017762.db2.gz FPZARPAIEDAQLT-HXUWFJFHSA-N 1 0 453.660 4.517 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001360125280 1065017883 /nfs/dbraw/zinc/01/78/83/1065017883.db2.gz FEWFEYDOYPCCOF-UHFFFAOYSA-N 1 0 475.563 4.899 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1)C(C)C ZINC001360125306 1065017899 /nfs/dbraw/zinc/01/78/99/1065017899.db2.gz FUMMWNOVSZVKOC-DEOSSOPVSA-N 1 0 463.674 4.887 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC001360125492 1065018230 /nfs/dbraw/zinc/01/82/30/1065018230.db2.gz LZNDGQBPWBMZQH-UHFFFAOYSA-N 1 0 475.563 4.899 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1)C(C)C ZINC001360125603 1065018324 /nfs/dbraw/zinc/01/83/24/1065018324.db2.gz PVKJZQRETMYKCQ-UHFFFAOYSA-N 1 0 452.647 4.520 20 0 JJADRO C[NH+](C)CC1(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)CCCC1 ZINC001435841230 1065018312 /nfs/dbraw/zinc/01/83/12/1065018312.db2.gz XCZWOUYESVDLPU-SFHVURJKSA-N 1 0 457.537 4.509 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1)C(C)C ZINC001360126029 1065019206 /nfs/dbraw/zinc/01/92/06/1065019206.db2.gz DSOKVUMTTADQJA-UHFFFAOYSA-N 1 0 451.446 4.672 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1CCOC2(C1)CCCCCC2)C(C)C ZINC001360125977 1065019321 /nfs/dbraw/zinc/01/93/21/1065019321.db2.gz BVZRHMHHJKXWAA-UHFFFAOYSA-N 1 0 468.690 4.702 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(C1)CCCOC2)C(C)C ZINC001360125993 1065019348 /nfs/dbraw/zinc/01/93/48/1065019348.db2.gz CPCMZNAKOUCFPY-AREMUKBSSA-N 1 0 457.638 4.524 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccsc2)nnc1N1CCC([C@@H]2CCOC2)CC1)C(C)C ZINC001360126348 1065019807 /nfs/dbraw/zinc/01/98/07/1065019807.db2.gz OPAVBGCWGIQRMZ-HSZRJFAPSA-N 1 0 459.704 4.692 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1)C(C)C ZINC001360126730 1065020628 /nfs/dbraw/zinc/02/06/28/1065020628.db2.gz WVZYBLQPCYCKCD-RBZQAINGSA-N 1 0 489.749 4.837 20 0 JJADRO CC(C)[NH+](CCCn1c(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)C(C)C ZINC001360126721 1065020841 /nfs/dbraw/zinc/02/08/41/1065020841.db2.gz WQXXNIUJXOOVCD-FQEVSTJZSA-N 1 0 464.699 4.530 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CCC2CCCC2)CC1)C(C)C ZINC001360128183 1065022160 /nfs/dbraw/zinc/02/21/60/1065022160.db2.gz CSHGHKKERUNOLD-UHFFFAOYSA-N 1 0 498.691 4.822 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)C(C)C ZINC001360128545 1065023219 /nfs/dbraw/zinc/02/32/19/1065023219.db2.gz KYIDLDRHRPFHML-HXUWFJFHSA-N 1 0 470.065 4.520 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1)C(C)C ZINC001360128484 1065023258 /nfs/dbraw/zinc/02/32/58/1065023258.db2.gz JSDUCQCIMNKIMP-QFIPXVFZSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)C(C)C ZINC001360128584 1065023297 /nfs/dbraw/zinc/02/32/97/1065023297.db2.gz LGTNSIRHVBLPOO-GOSISDBHSA-N 1 0 487.014 4.790 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCc2ccc(Br)cc2C1)C(C)C ZINC001360128762 1065023695 /nfs/dbraw/zinc/02/36/95/1065023695.db2.gz IWZRQZXLNDPIOD-UHFFFAOYSA-N 1 0 485.474 4.728 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1[C@H]1CCCO1)C(C)C ZINC001360129320 1065024662 /nfs/dbraw/zinc/02/46/62/1065024662.db2.gz UTLFKJVWIFGDLI-FGZHOGPDSA-N 1 0 490.490 4.974 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@H]1CCCCO1)C(C)C ZINC001360129874 1065025903 /nfs/dbraw/zinc/02/59/03/1065025903.db2.gz XCIVRGQNWJAFCW-OAQYLSRUSA-N 1 0 452.647 4.561 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1)C(C)C ZINC001360129760 1065025923 /nfs/dbraw/zinc/02/59/23/1065025923.db2.gz ZUEAJAGBODRYJV-DEOSSOPVSA-N 1 0 480.701 4.563 20 0 JJADRO CC(C)(C)C(=O)Nc1ccc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)cn1 ZINC001435855737 1065026955 /nfs/dbraw/zinc/02/69/55/1065026955.db2.gz ODKAIWHNMVKJRV-OAQYLSRUSA-N 1 0 458.553 4.690 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Cl)c(F)c1)C(C)C ZINC001360131897 1065027070 /nfs/dbraw/zinc/02/70/70/1065027070.db2.gz DOAYVHUUSNNDOG-UHFFFAOYSA-N 1 0 459.013 4.812 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001360132879 1065027708 /nfs/dbraw/zinc/02/77/08/1065027708.db2.gz YKLXGWBKLHAMJC-ZEQRLZLVSA-N 1 0 457.659 4.939 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC001360133035 1065028293 /nfs/dbraw/zinc/02/82/93/1065028293.db2.gz ZVUCGDHXYMIUKL-QHCPKHFHSA-N 1 0 457.659 4.879 20 0 JJADRO CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435864719 1065031565 /nfs/dbraw/zinc/03/15/65/1065031565.db2.gz GMXDQGGJCQGAHW-CSGUBPAMSA-N 1 0 452.470 4.893 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc2c(c1)OCCO2)C(C)C ZINC001360135473 1065031624 /nfs/dbraw/zinc/03/16/24/1065031624.db2.gz WQPDJLBNLDMPLV-RCZVLFRGSA-N 1 0 499.700 4.723 20 0 JJADRO CC(C)[NH+](CCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1)C(C)C ZINC001360135470 1065031687 /nfs/dbraw/zinc/03/16/87/1065031687.db2.gz WLXVNKGIRCFXGP-NRFANRHFSA-N 1 0 479.591 4.634 20 0 JJADRO CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435864721 1065032545 /nfs/dbraw/zinc/03/25/45/1065032545.db2.gz GMXDQGGJCQGAHW-TWRVUUBYSA-N 1 0 452.470 4.893 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCCC2(C)C)CC1 ZINC001360137488 1065033031 /nfs/dbraw/zinc/03/30/31/1065033031.db2.gz YDGVCUHECCANKG-UHFFFAOYSA-N 1 0 496.483 4.778 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCn2cccn2)C1 ZINC001360138289 1065033945 /nfs/dbraw/zinc/03/39/45/1065033945.db2.gz CUQJILLKQWWAOX-GOSISDBHSA-N 1 0 476.456 4.705 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360138295 1065034095 /nfs/dbraw/zinc/03/40/95/1065034095.db2.gz CWHJNTAXFKCGDX-UXHICEINSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)C2CCCCC2)C1 ZINC001360138501 1065034175 /nfs/dbraw/zinc/03/41/75/1065034175.db2.gz HDYJEKUKRVLFEV-SFHVURJKSA-N 1 0 477.495 4.935 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)CC(F)(F)F)C1 ZINC001360138879 1065035522 /nfs/dbraw/zinc/03/55/22/1065035522.db2.gz LHAZENBIGUXENY-CYBMUJFWSA-N 1 0 480.398 4.888 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccccc2)C1 ZINC001360139340 1065036213 /nfs/dbraw/zinc/03/62/13/1065036213.db2.gz QJECCRUJMAMZGA-LJQANCHMSA-N 1 0 471.447 4.793 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360139856 1065036892 /nfs/dbraw/zinc/03/68/92/1065036892.db2.gz VNKAHNOAQZDHAW-QGZVFWFLSA-N 1 0 451.512 4.903 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001360140442 1065037471 /nfs/dbraw/zinc/03/74/71/1065037471.db2.gz DIELJSJXMGWBQJ-NRFANRHFSA-N 1 0 464.580 4.553 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)c2ccccc2)C1 ZINC001360140543 1065037671 /nfs/dbraw/zinc/03/76/71/1065037671.db2.gz GHARBGUMTYDFTH-NHCUHLMSSA-N 1 0 480.682 4.587 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)c1 ZINC001435875311 1065038116 /nfs/dbraw/zinc/03/81/16/1065038116.db2.gz GMAHBQAYNRTKJM-MHZLTWQESA-N 1 0 459.659 4.666 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CCCc3ccccc3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001360140607 1065038121 /nfs/dbraw/zinc/03/81/21/1065038121.db2.gz HKWXOHNVPPEESU-QFIPXVFZSA-N 1 0 484.092 4.597 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCSCC2)C1 ZINC001360140602 1065038427 /nfs/dbraw/zinc/03/84/27/1065038427.db2.gz HIMWGDJWXGJZQI-KRWDZBQOSA-N 1 0 484.497 4.838 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(F)cc2F)C1 ZINC001360140887 1065038716 /nfs/dbraw/zinc/03/87/16/1065038716.db2.gz KJSVTWVAKHFWCR-LJQANCHMSA-N 1 0 459.610 4.965 20 0 JJADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc1 ZINC001435880379 1065040998 /nfs/dbraw/zinc/04/09/98/1065040998.db2.gz KSFSGUGZTBDSDV-QFIPXVFZSA-N 1 0 450.608 4.979 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)NC(C)(C)C)CC1 ZINC001360143483 1065043743 /nfs/dbraw/zinc/04/37/43/1065043743.db2.gz HMYGPICMBRXMTQ-UHFFFAOYSA-N 1 0 486.730 4.501 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001360143340 1065043766 /nfs/dbraw/zinc/04/37/66/1065043766.db2.gz DXLSPIOFSNXUKW-XIFFEERXSA-N 1 0 473.731 4.710 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2CCCCO2)CC1 ZINC001360143582 1065044597 /nfs/dbraw/zinc/04/45/97/1065044597.db2.gz ITXGPDHORMDGDV-NRFANRHFSA-N 1 0 476.463 4.587 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001360144022 1065045030 /nfs/dbraw/zinc/04/50/30/1065045030.db2.gz RKICODHURJEUOH-UHFFFAOYSA-N 1 0 494.728 4.812 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOC2CCCCCC2)CC1 ZINC001360143924 1065045469 /nfs/dbraw/zinc/04/54/69/1065045469.db2.gz PSPOPSMNFNXMDC-UHFFFAOYSA-N 1 0 493.494 4.696 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC[C@H]2CCCO2)CC1 ZINC001360144205 1065045815 /nfs/dbraw/zinc/04/58/15/1065045815.db2.gz WUCFZXGHDHPCEO-HXUWFJFHSA-N 1 0 496.483 4.758 20 0 JJADRO O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001435888825 1065046177 /nfs/dbraw/zinc/04/61/77/1065046177.db2.gz FYMMTYSKGGMBJZ-DZSVRRGNSA-N 1 0 452.904 4.693 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCCS2)CC1 ZINC001360144600 1065046609 /nfs/dbraw/zinc/04/66/09/1065046609.db2.gz PGOIROVEXSVPAQ-SFHVURJKSA-N 1 0 478.504 4.914 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001360144704 1065046684 /nfs/dbraw/zinc/04/66/84/1065046684.db2.gz SSCLAFLXMXHRIN-UHFFFAOYSA-N 1 0 491.640 4.656 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 ZINC001360145897 1065047772 /nfs/dbraw/zinc/04/77/72/1065047772.db2.gz AIUIGKRUDCIMMB-PZJWPPBQSA-N 1 0 494.453 4.566 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](F)c2ccc(Br)cc2)CC1 ZINC001360145896 1065047879 /nfs/dbraw/zinc/04/78/79/1065047879.db2.gz AIUIGKRUDCIMMB-FPOVZHCZSA-N 1 0 494.453 4.566 20 0 JJADRO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)cc2)cc1 ZINC001435890762 1065048192 /nfs/dbraw/zinc/04/81/92/1065048192.db2.gz SFJBDWZVPPHHOC-HHHXNRCGSA-N 1 0 458.558 4.702 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCC2)CC1 ZINC001360146208 1065048176 /nfs/dbraw/zinc/04/81/76/1065048176.db2.gz GNJWSCQOIJAWPC-DHIUTWEWSA-N 1 0 486.705 4.669 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CCCc3ccccc3)n2Cc2cccc(Br)n2)CC1 ZINC001360147120 1065049180 /nfs/dbraw/zinc/04/91/80/1065049180.db2.gz IWWFSMLGGBCEGR-UHFFFAOYSA-N 1 0 497.485 4.580 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cc(F)ccc2F)CC1 ZINC001360149435 1065052960 /nfs/dbraw/zinc/05/29/60/1065052960.db2.gz OCLHRAUMERPCNH-UHFFFAOYSA-N 1 0 482.398 4.626 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360149528 1065053164 /nfs/dbraw/zinc/05/31/64/1065053164.db2.gz SAGZEALUPOPTAZ-UHFFFAOYSA-N 1 0 497.471 4.649 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cccc(Br)n2)CC1 ZINC001360149533 1065053330 /nfs/dbraw/zinc/05/33/30/1065053330.db2.gz SILFFHVVXNWKME-UHFFFAOYSA-N 1 0 497.485 4.979 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(C)CCCS2)CC1 ZINC001360150359 1065054025 /nfs/dbraw/zinc/05/40/25/1065054025.db2.gz ZZCYJVQLXZDVOO-NRFANRHFSA-N 1 0 464.477 4.524 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2sc3ccc(Br)cc3c2C)[C@H](C)C1 ZINC001360151124 1065054908 /nfs/dbraw/zinc/05/49/08/1065054908.db2.gz RXGGDJBFDXGFBY-RDTXWAMCSA-N 1 0 453.446 4.839 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccsc2)CC1 ZINC001360153039 1065056084 /nfs/dbraw/zinc/05/60/84/1065056084.db2.gz COABUTDNYJDELW-UHFFFAOYSA-N 1 0 453.656 4.795 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360152768 1065056274 /nfs/dbraw/zinc/05/62/74/1065056274.db2.gz VECQNXNXWLQRFI-UHFFFAOYSA-N 1 0 457.638 4.522 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001360153319 1065056307 /nfs/dbraw/zinc/05/63/07/1065056307.db2.gz OTFPJPQHBUCPPQ-UHFFFAOYSA-N 1 0 486.661 4.523 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(F)(F)Br)CC1 ZINC001360153271 1065056426 /nfs/dbraw/zinc/05/64/26/1065056426.db2.gz NBBCWXUCGTZPFU-UHFFFAOYSA-N 1 0 494.837 4.742 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCc2cccs2)CC1 ZINC001360153338 1065056490 /nfs/dbraw/zinc/05/64/90/1065056490.db2.gz PRZWJSOWWBWEJG-UHFFFAOYSA-N 1 0 480.465 4.999 20 0 JJADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCCC(F)(F)C3)C2)CC1 ZINC001360156010 1065057256 /nfs/dbraw/zinc/05/72/56/1065057256.db2.gz NJWGRXMHAMKGQE-FCHUYYIVSA-N 1 0 480.692 4.687 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001360155635 1065057286 /nfs/dbraw/zinc/05/72/86/1065057286.db2.gz CPVDYDQWDZXCAB-NHFBTNOQSA-N 1 0 474.694 4.576 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(CC(C)(C)C)n3CCc3ccccc3Cl)CC2)CC1 ZINC001360156103 1065058013 /nfs/dbraw/zinc/05/80/13/1065058013.db2.gz QEWWVHGBJAZEDB-UHFFFAOYSA-N 1 0 487.136 4.758 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(CC(C)(C)C)n3CCc3ccc(Cl)s3)CC2)CC1 ZINC001360156080 1065058035 /nfs/dbraw/zinc/05/80/35/1065058035.db2.gz PLQCESJPVSFONF-UHFFFAOYSA-N 1 0 493.165 4.819 20 0 JJADRO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001360169332 1065063744 /nfs/dbraw/zinc/06/37/44/1065063744.db2.gz AROXXXRNKMPTQR-KRWDZBQOSA-N 1 0 489.089 4.897 20 0 JJADRO C[NH+]1CCN(c2ccccc2CNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC001360176589 1065066944 /nfs/dbraw/zinc/06/69/44/1065066944.db2.gz XZEBEEKMAUDSSN-UHFFFAOYSA-N 1 0 451.655 4.729 20 0 JJADRO Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001435933519 1065070187 /nfs/dbraw/zinc/07/01/87/1065070187.db2.gz HTABHMAGILPZFM-DEOSSOPVSA-N 1 0 459.512 4.528 20 0 JJADRO Cc1cc(COc2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2Br)on1 ZINC001435946815 1065076107 /nfs/dbraw/zinc/07/61/07/1065076107.db2.gz HVCAJFONVZXNNI-UHFFFAOYSA-N 1 0 458.356 4.681 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001360199717 1065078055 /nfs/dbraw/zinc/07/80/55/1065078055.db2.gz JZLCGMDLVOCHMT-RDABAPPSSA-N 1 0 466.674 4.514 20 0 JJADRO CC1(C)C[N@@H+](C2(CNC(=O)c3ccccc3OCc3ccc(F)cc3)CCCCC2)CCO1 ZINC001360213963 1065083372 /nfs/dbraw/zinc/08/33/72/1065083372.db2.gz OADBXLWLUOJGDG-UHFFFAOYSA-N 1 0 454.586 4.948 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001360215253 1065083820 /nfs/dbraw/zinc/08/38/20/1065083820.db2.gz YCLNSOUHEYEITQ-HSZRJFAPSA-N 1 0 451.611 4.696 20 0 JJADRO CSc1cc(Br)ccc1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001360217718 1065085237 /nfs/dbraw/zinc/08/52/37/1065085237.db2.gz XAFBDPASPBJPDP-UHFFFAOYSA-N 1 0 455.462 4.715 20 0 JJADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(OCC(F)(F)F)c4ccccc4n3)c2)CC1 ZINC001435972953 1065087670 /nfs/dbraw/zinc/08/76/70/1065087670.db2.gz BRIZUYXRNBHLSL-UHFFFAOYSA-N 1 0 458.484 4.570 20 0 JJADRO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001360233084 1065092815 /nfs/dbraw/zinc/09/28/15/1065092815.db2.gz DRYMVVPOJUMIOA-KRWDZBQOSA-N 1 0 452.599 4.809 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)c1 ZINC001435986504 1065093930 /nfs/dbraw/zinc/09/39/30/1065093930.db2.gz HDZSLZAKSSZSCY-UHFFFAOYSA-N 1 0 457.496 4.627 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1CC1 ZINC001435989969 1065096164 /nfs/dbraw/zinc/09/61/64/1065096164.db2.gz IPINFADAXKGLHZ-WNMGUVTHSA-N 1 0 453.671 4.659 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2cc(C(F)(F)F)cnc2Cl)c1 ZINC001360248404 1065098014 /nfs/dbraw/zinc/09/80/14/1065098014.db2.gz MLMVCDDYCCWPSP-UHFFFAOYSA-N 1 0 454.880 4.821 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC001435995438 1065098790 /nfs/dbraw/zinc/09/87/90/1065098790.db2.gz RNYDSNQVOUMXBR-VWLOTQADSA-N 1 0 456.590 4.800 20 0 JJADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360275059 1065115913 /nfs/dbraw/zinc/11/59/13/1065115913.db2.gz WXOCSFYCEJEYLZ-OAQYLSRUSA-N 1 0 482.698 4.568 20 0 JJADRO Cc1cc(Br)c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1Br ZINC001360294999 1065128887 /nfs/dbraw/zinc/12/88/87/1065128887.db2.gz WIVAYCRLOUZRLN-UHFFFAOYSA-N 1 0 458.238 4.857 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360304606 1065138057 /nfs/dbraw/zinc/13/80/57/1065138057.db2.gz CFOURINLLQVZSH-IRXDYDNUSA-N 1 0 494.453 4.629 20 0 JJADRO O=C(NCc1ccncc1OCC(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001436045450 1065140756 /nfs/dbraw/zinc/14/07/56/1065140756.db2.gz VHPLPUKVQIWQID-WOJBJXKFSA-N 1 0 475.536 4.616 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001360305555 1065140757 /nfs/dbraw/zinc/14/07/57/1065140757.db2.gz VJHCFSDVUYQTGI-HSZRJFAPSA-N 1 0 478.037 4.674 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Br)n2CC2CC(F)(F)C2)CC1 ZINC001360307101 1065142582 /nfs/dbraw/zinc/14/25/82/1065142582.db2.gz PNDVMDMIPRKXKO-UHFFFAOYSA-N 1 0 468.390 4.720 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001360309495 1065145013 /nfs/dbraw/zinc/14/50/13/1065145013.db2.gz FNYFFTQMTKDXBP-SJBKTWHCSA-N 1 0 474.694 4.753 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCC=CO2)CC1 ZINC001360310086 1065147264 /nfs/dbraw/zinc/14/72/64/1065147264.db2.gz YKMMKABXYXFNOF-LJQANCHMSA-N 1 0 480.440 4.823 20 0 JJADRO CC(C)(CC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)Cc1ccc(Cl)cc1 ZINC001360313855 1065149184 /nfs/dbraw/zinc/14/91/84/1065149184.db2.gz VXWCFFDYIXJJCW-UHFFFAOYSA-N 1 0 456.030 4.677 20 0 JJADRO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1nc(C(F)(F)F)cs1 ZINC001436056784 1065149226 /nfs/dbraw/zinc/14/92/26/1065149226.db2.gz SSJVUGDFWVUBAJ-YVEFUNNKSA-N 1 0 451.436 4.794 20 0 JJADRO C[NH+]1CCC(n2ccc(NC(=O)CCc3cc(C(F)(F)F)ccc3Br)n2)CC1 ZINC001436065634 1065155691 /nfs/dbraw/zinc/15/56/91/1065155691.db2.gz OWCQEFLLBWPAND-UHFFFAOYSA-N 1 0 459.310 4.502 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320410 1065157114 /nfs/dbraw/zinc/15/71/14/1065157114.db2.gz XLDIIWSBWYEQPV-AMGIVPHBSA-N 1 0 469.674 4.638 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)c3ccccc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001360320743 1065157244 /nfs/dbraw/zinc/15/72/44/1065157244.db2.gz DXKSUYZKHYMDDB-IBGGVINMSA-N 1 0 483.701 4.679 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)c3ccccc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001360320742 1065157313 /nfs/dbraw/zinc/15/73/13/1065157313.db2.gz DXKSUYZKHYMDDB-FMGHJNRGSA-N 1 0 483.701 4.679 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C2CC(C(C)(C)C)C2)CCOC1 ZINC001360338769 1065187586 /nfs/dbraw/zinc/18/75/86/1065187586.db2.gz KHPXMZZCJROGBJ-GMKWRKAISA-N 1 0 475.722 4.873 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1 ZINC001360340392 1065189556 /nfs/dbraw/zinc/18/95/56/1065189556.db2.gz QYGBABMVJRLJFK-UHFFFAOYSA-N 1 0 457.368 4.950 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@H](C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@H]2c2cccs2)cc1 ZINC001436116025 1065190496 /nfs/dbraw/zinc/19/04/96/1065190496.db2.gz OOTQDVGGDPELQB-URXFXBBRSA-N 1 0 453.652 4.779 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCCCCCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001360345704 1065195014 /nfs/dbraw/zinc/19/50/14/1065195014.db2.gz MTNYQHGXFRMALG-JYFHCDHNSA-N 1 0 473.637 4.531 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)CCOC1 ZINC001360352602 1065200500 /nfs/dbraw/zinc/20/05/00/1065200500.db2.gz UIPCMNRXDVSGCR-ZFGGDYGUSA-N 1 0 485.664 4.555 20 0 JJADRO Cc1ccc(-c2csc3ncnc(SCC(=O)NC[C@H]4[N@H+](C)CCCC4(C)C)c23)cc1 ZINC001436155039 1065218691 /nfs/dbraw/zinc/21/86/91/1065218691.db2.gz BEQYYZNCIIALRG-LJQANCHMSA-N 1 0 454.665 4.995 20 0 JJADRO CC(C)OC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001360364033 1065220411 /nfs/dbraw/zinc/22/04/11/1065220411.db2.gz FIBYZXMSGRBACF-VWLOTQADSA-N 1 0 469.674 4.802 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@H+](C)C(C)C)CC1 ZINC001360364226 1065221019 /nfs/dbraw/zinc/22/10/19/1065221019.db2.gz LRUDIUDPPHZKOY-UHFFFAOYSA-N 1 0 496.469 4.971 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cc(C)nc2onc(C(C)C)c21 ZINC001436177600 1065230745 /nfs/dbraw/zinc/23/07/45/1065230745.db2.gz UIXWOYYDXQHZQF-UHFFFAOYSA-N 1 0 452.555 4.714 20 0 JJADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC001436194668 1065243025 /nfs/dbraw/zinc/24/30/25/1065243025.db2.gz GHPDDSDNPPCGQZ-UHFFFAOYSA-N 1 0 458.356 4.824 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2csc(Cc3ccc(C)cc3)n2)c1 ZINC001436197102 1065244638 /nfs/dbraw/zinc/24/46/38/1065244638.db2.gz UYAXVJHBWUZVKA-UHFFFAOYSA-N 1 0 451.592 4.793 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)COc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC001436198247 1065245744 /nfs/dbraw/zinc/24/57/44/1065245744.db2.gz VZKCSKQZUNKLNM-GOSISDBHSA-N 1 0 457.771 4.820 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(Br)c(Cl)c3F)cc2)CC1 ZINC001436205821 1065250705 /nfs/dbraw/zinc/25/07/05/1065250705.db2.gz ODXFWPNCJZRWCH-UHFFFAOYSA-N 1 0 455.755 4.645 20 0 JJADRO CC(C)OCCCn1c(-c2cccn2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360386758 1065251039 /nfs/dbraw/zinc/25/10/39/1065251039.db2.gz NUXWKAWODZFKNO-VWNXMTODSA-N 1 0 464.658 4.588 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001360409618 1065273436 /nfs/dbraw/zinc/27/34/36/1065273436.db2.gz NYOCVXAQLUEGJP-XUZZJYLKSA-N 1 0 490.092 4.597 20 0 JJADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC001436259118 1065277886 /nfs/dbraw/zinc/27/78/86/1065277886.db2.gz PNHGTKNPUPSSDC-LLVKDONJSA-N 1 0 458.734 4.773 20 0 JJADRO CC(C)SCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001360416610 1065279202 /nfs/dbraw/zinc/27/92/02/1065279202.db2.gz FMHHWUCJTTYPIY-UHFFFAOYSA-N 1 0 489.064 4.987 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545896540 1065281249 /nfs/dbraw/zinc/28/12/49/1065281249.db2.gz VBGBEDXFUUMMSW-REWPJTCUSA-N 1 0 458.695 4.620 20 0 JJADRO CC(C)(C)C1CCC(CC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)CC1 ZINC001436269771 1065281618 /nfs/dbraw/zinc/28/16/18/1065281618.db2.gz PKFDRWFVHDTCQA-UHFFFAOYSA-N 1 0 455.687 4.717 20 0 JJADRO CC(C)SCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001360424709 1065293006 /nfs/dbraw/zinc/29/30/06/1065293006.db2.gz GKDPEAULHKSJFI-RTWAWAEBSA-N 1 0 492.734 4.556 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCCC1 ZINC001360428072 1065299143 /nfs/dbraw/zinc/29/91/43/1065299143.db2.gz BUHGWBLWZMTYMN-OAHLLOKOSA-N 1 0 493.400 4.997 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360428123 1065300306 /nfs/dbraw/zinc/30/03/06/1065300306.db2.gz CSBMOCUTVHSFDL-FOIQADDNSA-N 1 0 471.581 4.519 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360428421 1065300889 /nfs/dbraw/zinc/30/08/89/1065300889.db2.gz JAYPNQJBWHBUFI-IBGZPJMESA-N 1 0 468.596 4.862 20 0 JJADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3c(Cl)cccc3OCC3CC3)cc2)CC1 ZINC001360432364 1065309230 /nfs/dbraw/zinc/30/92/30/1065309230.db2.gz LMZOXLVWZBIKEN-UHFFFAOYSA-N 1 0 456.974 4.597 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cc2ccccc2o1)C(C)C ZINC001360432214 1065309261 /nfs/dbraw/zinc/30/92/61/1065309261.db2.gz NZBWQWUMTCTCGV-TZIWHRDSSA-N 1 0 466.630 4.682 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360433431 1065311720 /nfs/dbraw/zinc/31/17/20/1065311720.db2.gz RDKSKZNPHKDPGH-SLYNCCJLSA-N 1 0 457.619 4.873 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360433432 1065311777 /nfs/dbraw/zinc/31/17/77/1065311777.db2.gz RDKSKZNPHKDPGH-YFVAEKQCSA-N 1 0 457.619 4.873 20 0 JJADRO C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC2CCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360434117 1065314011 /nfs/dbraw/zinc/31/40/11/1065314011.db2.gz ZKOARTKZRTUYJA-BXKMTCNYSA-N 1 0 463.642 4.924 20 0 JJADRO C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360434120 1065314450 /nfs/dbraw/zinc/31/44/50/1065314450.db2.gz ZKOARTKZRTUYJA-XDHUDOTRSA-N 1 0 463.642 4.924 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC001436429380 1065317246 /nfs/dbraw/zinc/31/72/46/1065317246.db2.gz DUJLRBDFJVTTKE-VPUSJEBWSA-N 1 0 450.623 4.660 20 0 JJADRO O=C(c1ccoc1Br)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001436443562 1065320331 /nfs/dbraw/zinc/32/03/31/1065320331.db2.gz AGCGVJDMUXZIQF-FQEVSTJZSA-N 1 0 454.368 4.744 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360442756 1065328180 /nfs/dbraw/zinc/32/81/80/1065328180.db2.gz RWEJHQPMGCUANO-LJZMZKCQSA-N 1 0 487.714 4.577 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360442964 1065328803 /nfs/dbraw/zinc/32/88/03/1065328803.db2.gz VZMATBUURKXSRP-JWFZFVAPSA-N 1 0 497.690 4.761 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360452336 1065345296 /nfs/dbraw/zinc/34/52/96/1065345296.db2.gz KEILOQXYMCTTCM-XMSQKQJNSA-N 1 0 464.614 4.965 20 0 JJADRO C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360452333 1065345322 /nfs/dbraw/zinc/34/53/22/1065345322.db2.gz KEILOQXYMCTTCM-AVRDEDQJSA-N 1 0 464.614 4.965 20 0 JJADRO C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360452335 1065345374 /nfs/dbraw/zinc/34/53/74/1065345374.db2.gz KEILOQXYMCTTCM-PGRDOPGGSA-N 1 0 464.614 4.965 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360453943 1065349395 /nfs/dbraw/zinc/34/93/95/1065349395.db2.gz BDHRMAYVYXNVQE-VLIAUNLRSA-N 1 0 496.500 4.997 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCCCC1 ZINC001360454110 1065349787 /nfs/dbraw/zinc/34/97/87/1065349787.db2.gz CYILECVWRWNRPY-INIZCTEOSA-N 1 0 461.408 4.702 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360454221 1065350564 /nfs/dbraw/zinc/35/05/64/1065350564.db2.gz FUAVZSMVQMVHOV-XXBNENTESA-N 1 0 499.681 4.650 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3cncc(Br)c3n2)CC[N@@H+]1Cc1ccccc1 ZINC001360459159 1065360334 /nfs/dbraw/zinc/36/03/34/1065360334.db2.gz FZUDOOYYVLMNHF-VQIMIIECSA-N 1 0 453.384 4.517 20 0 JJADRO COc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OCCOC(C)C)c1 ZINC001360459149 1065360537 /nfs/dbraw/zinc/36/05/37/1065360537.db2.gz FWLHATJJYLASIW-GMAHTHKFSA-N 1 0 454.611 4.624 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001360459954 1065361930 /nfs/dbraw/zinc/36/19/30/1065361930.db2.gz NNPUUGRUJFNVEA-OFNKIYASSA-N 1 0 451.611 4.836 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360461084 1065365232 /nfs/dbraw/zinc/36/52/32/1065365232.db2.gz MOFVLPLZXUTDNJ-QVKFZJNVSA-N 1 0 463.076 4.690 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CCCc2ccc(Br)s2)c1 ZINC001436580195 1065379625 /nfs/dbraw/zinc/37/96/25/1065379625.db2.gz PXJMCMAEEHPORN-UHFFFAOYSA-N 1 0 452.418 4.752 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1 ZINC001436581180 1065380474 /nfs/dbraw/zinc/38/04/74/1065380474.db2.gz XXKKUJLGWKUDKR-UHFFFAOYSA-N 1 0 458.534 4.705 20 0 JJADRO C[C@@H](c1nccs1)N1CCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001360468210 1065383959 /nfs/dbraw/zinc/38/39/59/1065383959.db2.gz ZKHODXGTDDWXMK-NRFANRHFSA-N 1 0 473.735 4.572 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC001360470592 1065389027 /nfs/dbraw/zinc/38/90/27/1065389027.db2.gz WYOXJQVJGXFYST-IBGZPJMESA-N 1 0 453.384 4.712 20 0 JJADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001436597105 1065390819 /nfs/dbraw/zinc/39/08/19/1065390819.db2.gz DCZKTIACZRDQRI-GOSISDBHSA-N 1 0 458.484 4.788 20 0 JJADRO CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001360480260 1065399216 /nfs/dbraw/zinc/39/92/16/1065399216.db2.gz SQQZHHYOWQKMDA-SCZOVYFASA-N 1 0 475.658 4.983 20 0 JJADRO COc1ccc(-c2noc(CCCC(=O)N(C[C@@H](C)[NH+](C)C)c3c(C)cccc3C)n2)cc1 ZINC001436638573 1065411277 /nfs/dbraw/zinc/41/12/77/1065411277.db2.gz VXUVNQFFLXMSGL-HXUWFJFHSA-N 1 0 450.583 4.668 20 0 JJADRO Cc1nn(-c2ccccn2)c(C)c1CC(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001436648108 1065416586 /nfs/dbraw/zinc/41/65/86/1065416586.db2.gz UWRDGNZBSJSKKE-UHFFFAOYSA-N 1 0 452.002 4.599 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360501377 1065425871 /nfs/dbraw/zinc/42/58/71/1065425871.db2.gz SNWJUGHUKSGFMF-IBGZPJMESA-N 1 0 458.075 4.993 20 0 JJADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360503389 1065431498 /nfs/dbraw/zinc/43/14/98/1065431498.db2.gz KFIUFSRFMCYNEU-WMZHIEFXSA-N 1 0 476.650 4.868 20 0 JJADRO C[C@H](CCn1c(-c2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360504839 1065437623 /nfs/dbraw/zinc/43/76/23/1065437623.db2.gz CNAHKYHMXGMSCI-NTKDMRAZSA-N 1 0 479.591 4.739 20 0 JJADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCCCC1 ZINC001360504816 1065437679 /nfs/dbraw/zinc/43/76/79/1065437679.db2.gz ZVWDUMALDGUXPJ-QFIPXVFZSA-N 1 0 476.669 4.692 20 0 JJADRO C[C@@H](CCn1c(-c2cccn2C)nnc1N1CCSC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001360504881 1065438165 /nfs/dbraw/zinc/43/81/65/1065438165.db2.gz DGLMBMNITQPXJQ-FQEVSTJZSA-N 1 0 452.672 4.526 20 0 JJADRO C[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360504962 1065438204 /nfs/dbraw/zinc/43/82/04/1065438204.db2.gz FSGSBBVVVSGSKA-JTHBVZDNSA-N 1 0 489.668 4.708 20 0 JJADRO C[C@H](CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001360505172 1065438979 /nfs/dbraw/zinc/43/89/79/1065438979.db2.gz JDJMCJCUTOBQMO-QHAWAJNXSA-N 1 0 468.596 4.978 20 0 JJADRO C[C@H](CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCCCC1 ZINC001360505386 1065440706 /nfs/dbraw/zinc/44/07/06/1065440706.db2.gz NQCSPXARNJBBPZ-MRXNPFEDSA-N 1 0 477.476 4.998 20 0 JJADRO C[C@H](CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360505800 1065442271 /nfs/dbraw/zinc/44/22/71/1065442271.db2.gz VLIWPTDRTZAMFP-VQIMIIECSA-N 1 0 471.955 4.631 20 0 JJADRO C[C@@H](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360508584 1065447239 /nfs/dbraw/zinc/44/72/39/1065447239.db2.gz FORDHJPDCGTFMV-GMAHTHKFSA-N 1 0 464.658 4.968 20 0 JJADRO Cc1ccc(Br)c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001436825338 1065448447 /nfs/dbraw/zinc/44/84/47/1065448447.db2.gz WUJJQURDRNZJBR-XZOQPEGZSA-N 1 0 464.407 4.685 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCCOC2)nnc1N(C)CCOc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC001360509006 1065449016 /nfs/dbraw/zinc/44/90/16/1065449016.db2.gz MBGGMOZIASLGIW-LEWJYISDSA-N 1 0 476.065 4.605 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCOC2)nnc1N(C)CCOc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC001360509009 1065449077 /nfs/dbraw/zinc/44/90/77/1065449077.db2.gz MBGGMOZIASLGIW-SFTDATJTSA-N 1 0 476.065 4.605 20 0 JJADRO C[C@H](CCn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509419 1065449619 /nfs/dbraw/zinc/44/96/19/1065449619.db2.gz RQNNSLBPIHYQJP-ZJSXRUAMSA-N 1 0 496.700 4.950 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1)[NH+]1CCCCC1 ZINC001360509478 1065449755 /nfs/dbraw/zinc/44/97/55/1065449755.db2.gz TYGNBNNRDWGEBF-MSOLQXFVSA-N 1 0 496.519 4.897 20 0 JJADRO C[C@@H](CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509671 1065450728 /nfs/dbraw/zinc/45/07/28/1065450728.db2.gz WNJSITUJEVJWFM-NZQKXSOJSA-N 1 0 482.673 4.560 20 0 JJADRO C[C@@H](CCn1c(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360510286 1065453383 /nfs/dbraw/zinc/45/33/83/1065453383.db2.gz HJRXRJHXLFTTQH-FQEVSTJZSA-N 1 0 499.679 4.770 20 0 JJADRO C[C@H](CCn1c(Cc2ccncc2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360510953 1065455675 /nfs/dbraw/zinc/45/56/75/1065455675.db2.gz RXCCZZXNKKITOJ-LJQANCHMSA-N 1 0 464.580 4.697 20 0 JJADRO COc1ccc(-c2cc(C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)nn2-c2ccccc2)cc1 ZINC001360511864 1065458272 /nfs/dbraw/zinc/45/82/72/1065458272.db2.gz WAMCHBMDNPXEPP-OAQYLSRUSA-N 1 0 454.574 4.798 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1nccs1)[NH+]1CCCCC1 ZINC001360514293 1065465371 /nfs/dbraw/zinc/46/53/71/1065465371.db2.gz QWJMMJJQLUJCNZ-KCZVDYSFSA-N 1 0 474.719 4.597 20 0 JJADRO CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C(C)(C)C[NH+]2CCCC2)CC1 ZINC001436920762 1065471544 /nfs/dbraw/zinc/47/15/44/1065471544.db2.gz LHOGJLISORKIJO-UBFVSLLYSA-N 1 0 455.687 4.509 20 0 JJADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)sc2C1 ZINC001436936107 1065476556 /nfs/dbraw/zinc/47/65/56/1065476556.db2.gz AUPPVWJMYNTZLB-UHFFFAOYSA-N 1 0 451.474 4.621 20 0 JJADRO C[C@@H](CCc1ccccc1F)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001436961768 1065482175 /nfs/dbraw/zinc/48/21/75/1065482175.db2.gz ZYPXDFSERKDERG-INIZCTEOSA-N 1 0 450.396 4.793 20 0 JJADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1C(C)(C)C ZINC001360519528 1065487421 /nfs/dbraw/zinc/48/74/21/1065487421.db2.gz OQKZJQJYQZPKNT-RZUBCFFCSA-N 1 0 488.721 4.532 20 0 JJADRO C[C@@H](CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCC1)c1nccs1 ZINC001360521185 1065494716 /nfs/dbraw/zinc/49/47/16/1065494716.db2.gz RBKMERZQJSXWBV-HNNXBMFYSA-N 1 0 463.026 4.918 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(OC)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001545904340 1065503235 /nfs/dbraw/zinc/50/32/35/1065503235.db2.gz SKIPTUAKBAMLST-OFVILXPXSA-N 1 0 496.700 4.667 20 0 JJADRO C[C@H](CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1nccs1 ZINC001360529288 1065508793 /nfs/dbraw/zinc/50/87/93/1065508793.db2.gz FPGOSJHVPHPDHI-WIYYLYMNSA-N 1 0 486.661 4.813 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2C[C@]1(C)CCC2)[NH+](C)C ZINC001360535172 1065516564 /nfs/dbraw/zinc/51/65/64/1065516564.db2.gz ANVSPVZKXMPAPV-ZSDSOXJFSA-N 1 0 450.400 4.566 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360535208 1065516763 /nfs/dbraw/zinc/51/67/63/1065516763.db2.gz AXTITDWUBQQYIC-FXAWDEMLSA-N 1 0 489.064 4.575 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)c2ccccc2)CC1 ZINC001360535712 1065517286 /nfs/dbraw/zinc/51/72/86/1065517286.db2.gz GQQKDRLRWRBMAG-GOSISDBHSA-N 1 0 471.447 4.760 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccn1)[N@H+](C)Cc1ccccc1 ZINC001360536070 1065518660 /nfs/dbraw/zinc/51/86/60/1065518660.db2.gz TUIRWOVITRUTCE-GOSISDBHSA-N 1 0 494.441 4.588 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1c1ccco1)[NH+](C)C ZINC001360536239 1065518743 /nfs/dbraw/zinc/51/87/43/1065518743.db2.gz LOFJODLYXHLISS-RDTXWAMCSA-N 1 0 462.367 4.731 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001545905446 1065519151 /nfs/dbraw/zinc/51/91/51/1065519151.db2.gz BJKDOOFJQGWGHP-WXVAWEFUSA-N 1 0 470.706 4.644 20 0 JJADRO C[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCOc1ccccc1F)[NH+](C)C ZINC001360536761 1065519662 /nfs/dbraw/zinc/51/96/62/1065519662.db2.gz PSVUHUJNYLEBKH-SFHVURJKSA-N 1 0 471.646 4.880 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CCCCC1)[NH+](C)C ZINC001360537067 1065520585 /nfs/dbraw/zinc/52/05/85/1065520585.db2.gz WSHFWYXQELMDSY-OAHLLOKOSA-N 1 0 452.416 4.813 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1Cc1ccccc1)[NH+](C)C ZINC001360539835 1065523850 /nfs/dbraw/zinc/52/38/50/1065523850.db2.gz AZXMTSSKSXAXFW-FUHWJXTLSA-N 1 0 474.472 4.931 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC001360539955 1065524332 /nfs/dbraw/zinc/52/43/32/1065524332.db2.gz CLLHPMKYJANRPL-CYBMUJFWSA-N 1 0 480.863 4.935 20 0 JJADRO C[C@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CC1CC(F)(F)C1)[NH+](C)C ZINC001360540764 1065526218 /nfs/dbraw/zinc/52/62/18/1065526218.db2.gz IARGNHVSFORBEC-QGZVFWFLSA-N 1 0 459.541 4.549 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360541011 1065526691 /nfs/dbraw/zinc/52/66/91/1065526691.db2.gz KSZVWYIYRRRVAH-FQEVSTJZSA-N 1 0 496.700 4.782 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+](C)C ZINC001360541198 1065527638 /nfs/dbraw/zinc/52/76/38/1065527638.db2.gz NHVDBCWHGLGTQU-SFHVURJKSA-N 1 0 481.000 4.752 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001545905863 1065528250 /nfs/dbraw/zinc/52/82/50/1065528250.db2.gz KVYCELONNWTMHG-UHFFFAOYSA-N 1 0 458.695 4.622 20 0 JJADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1c1ccco1)[NH+](C)C ZINC001360541442 1065528683 /nfs/dbraw/zinc/52/86/83/1065528683.db2.gz LPKOETFADDYDEY-KDOFPFPSSA-N 1 0 462.367 4.731 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001360541878 1065529756 /nfs/dbraw/zinc/52/97/56/1065529756.db2.gz UVQMAOPBYGAEDU-INIZCTEOSA-N 1 0 495.043 4.523 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC(c2nccs2)CC1)[NH+](C)C ZINC001360542007 1065530350 /nfs/dbraw/zinc/53/03/50/1065530350.db2.gz WFGUKBLJMSZYSL-CYBMUJFWSA-N 1 0 481.489 4.560 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CCc1ccccc1F)[NH+](C)C ZINC001360541995 1065530455 /nfs/dbraw/zinc/53/04/55/1065530455.db2.gz WBVVXVZSEZLEJE-AWEZNQCLSA-N 1 0 466.424 4.537 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001360542079 1065530858 /nfs/dbraw/zinc/53/08/58/1065530858.db2.gz XCRAJHVZLJVMQI-LBPRGKRZSA-N 1 0 470.387 4.634 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001360542288 1065531353 /nfs/dbraw/zinc/53/13/53/1065531353.db2.gz ZJHMJTJRLFEDRU-INIZCTEOSA-N 1 0 465.564 4.541 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)c2nccs2)CC1 ZINC001360545241 1065535397 /nfs/dbraw/zinc/53/53/97/1065535397.db2.gz YHUMCCSGGSFSAH-GOSISDBHSA-N 1 0 456.635 4.901 20 0 JJADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001437313289 1065535544 /nfs/dbraw/zinc/53/55/44/1065535544.db2.gz HVMNDPIUGIWALR-UGNRZPKXSA-N 1 0 457.412 4.825 20 0 JJADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001437316169 1065536383 /nfs/dbraw/zinc/53/63/83/1065536383.db2.gz JYSCNNDCCWQSKU-QHCPKHFHSA-N 1 0 453.608 4.614 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](C)[NH+](C)C ZINC001360554341 1065545319 /nfs/dbraw/zinc/54/53/19/1065545319.db2.gz WCHQCLNNZNAZRV-LJQANCHMSA-N 1 0 493.681 4.663 20 0 JJADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)CSc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001437380618 1065545416 /nfs/dbraw/zinc/54/54/16/1065545416.db2.gz FPONJQUZIGMLOZ-UHFFFAOYSA-N 1 0 455.668 4.731 20 0 JJADRO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1 ZINC001437411504 1065547960 /nfs/dbraw/zinc/54/79/60/1065547960.db2.gz PPITXCLFRKDJIY-OAQYLSRUSA-N 1 0 454.442 4.759 20 0 JJADRO C[C@H](Cn1c(C2CCCC2)nnc1N(C)Cc1csc(Br)c1)[N@H+](C)C1CC1 ZINC001360558661 1065548074 /nfs/dbraw/zinc/54/80/74/1065548074.db2.gz BASIAGRXSUTPLB-CQSZACIVSA-N 1 0 452.466 4.879 20 0 JJADRO C[C@H](CSc1ccccc1)N(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001437412793 1065548385 /nfs/dbraw/zinc/54/83/85/1065548385.db2.gz OHYDMUZOQIOCLS-UEVCKROQSA-N 1 0 451.661 4.998 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001360559842 1065549686 /nfs/dbraw/zinc/54/96/86/1065549686.db2.gz NSXUORLCQNAWBU-SFHVURJKSA-N 1 0 489.590 4.845 20 0 JJADRO C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360559873 1065549774 /nfs/dbraw/zinc/54/97/74/1065549774.db2.gz ODPUIVCYJWDWIB-ISKFKSNPSA-N 1 0 494.728 4.835 20 0 JJADRO CC[N@H+](CCCNC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)C1CCCCC1 ZINC001437421324 1065550126 /nfs/dbraw/zinc/55/01/26/1065550126.db2.gz SYBBKDWGANYARZ-UHFFFAOYSA-N 1 0 457.928 4.714 20 0 JJADRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@]2(CC=CCC2)C1)[NH+](C)C ZINC001360562270 1065552602 /nfs/dbraw/zinc/55/26/02/1065552602.db2.gz AVRUDFGTJOWQIB-UMTXDNHDSA-N 1 0 486.705 4.669 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC001360565521 1065556137 /nfs/dbraw/zinc/55/61/37/1065556137.db2.gz XTGCUVOHIBHNGT-BLIXFSHQSA-N 1 0 494.453 4.564 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1)Oc1ccc(F)cc1 ZINC001360569226 1065562026 /nfs/dbraw/zinc/56/20/26/1065562026.db2.gz IZSRFESZANGTIW-NRFANRHFSA-N 1 0 487.664 4.555 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)[N@H+](C)C1CC1 ZINC001360570990 1065565064 /nfs/dbraw/zinc/56/50/64/1065565064.db2.gz XVZNLBFDFIJBIU-AZUAARDMSA-N 1 0 455.622 4.588 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)[N@H+](C)C1CC1 ZINC001360570991 1065565165 /nfs/dbraw/zinc/56/51/65/1065565165.db2.gz XVZNLBFDFIJBIU-ICSRJNTNSA-N 1 0 455.622 4.588 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](SC)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001545907395 1065565569 /nfs/dbraw/zinc/56/55/69/1065565569.db2.gz HSVGUSKVHHLWJB-ZEQRLZLVSA-N 1 0 498.741 4.583 20 0 JJADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360574212 1065568200 /nfs/dbraw/zinc/56/82/00/1065568200.db2.gz BJYQVKLLLVJOMU-RDGATRHJSA-N 1 0 476.669 4.568 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)c2nccs2)CC1 ZINC001360577375 1065572489 /nfs/dbraw/zinc/57/24/89/1065572489.db2.gz BDRYLKXFNPKXCP-NRFANRHFSA-N 1 0 466.699 4.880 20 0 JJADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1)[NH+](C)C ZINC001360578282 1065573419 /nfs/dbraw/zinc/57/34/19/1065573419.db2.gz HRKPXKQUJHJYLZ-IBGZPJMESA-N 1 0 467.683 4.868 20 0 JJADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C(C)(C)C)CC1)Oc1ccc(Cl)cc1 ZINC001360578435 1065574090 /nfs/dbraw/zinc/57/40/90/1065574090.db2.gz IYPHKPKRIZVDEG-SFHVURJKSA-N 1 0 474.074 4.972 20 0 JJADRO C[N@H+](Cc1ccc2nc(NC(=O)C(=O)c3ccc(Br)s3)sc2c1)C1CC1 ZINC001437562312 1065577306 /nfs/dbraw/zinc/57/73/06/1065577306.db2.gz XGEXBWSYSNKAMJ-UHFFFAOYSA-N 1 0 450.383 4.536 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545907740 1065578401 /nfs/dbraw/zinc/57/84/01/1065578401.db2.gz QLQHVRICVHWCRY-FKBYEOEOSA-N 1 0 460.711 4.581 20 0 JJADRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2scc(Br)c2Br)C1 ZINC001437576483 1065579551 /nfs/dbraw/zinc/57/95/51/1065579551.db2.gz BHOAVIGXRBWCKP-GFCCVEGCSA-N 1 0 458.219 4.796 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CC=C(C(C)(C)C)CC1)[NH+](C)C ZINC001360583700 1065581905 /nfs/dbraw/zinc/58/19/05/1065581905.db2.gz HVMLWGUWDBRLEQ-QGZVFWFLSA-N 1 0 476.463 4.752 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC001360583809 1065582273 /nfs/dbraw/zinc/58/22/73/1065582273.db2.gz KZLAXUARDRKZGU-GJYPPUQNSA-N 1 0 452.430 4.883 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+](C)C ZINC001360583798 1065582552 /nfs/dbraw/zinc/58/25/52/1065582552.db2.gz KPWDEWFCFHULLH-NQIIRXRSSA-N 1 0 497.606 4.652 20 0 JJADRO C[C@H](Cn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1C(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC001360586323 1065586525 /nfs/dbraw/zinc/58/65/25/1065586525.db2.gz DCJSYYKEHTXMMO-UXHICEINSA-N 1 0 478.607 4.565 20 0 JJADRO C[C@@H](Cn1c(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360587533 1065589186 /nfs/dbraw/zinc/58/91/86/1065589186.db2.gz RBZXYUZGXMOBFV-LSDHHAIUSA-N 1 0 470.609 4.918 20 0 JJADRO C[C@H](Cn1c(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360587530 1065589212 /nfs/dbraw/zinc/58/92/12/1065589212.db2.gz RBZXYUZGXMOBFV-CABCVRRESA-N 1 0 470.609 4.918 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[NH+](C)C ZINC001360591066 1065597870 /nfs/dbraw/zinc/59/78/70/1065597870.db2.gz WDYFONNXJVCISB-ICSRJNTNSA-N 1 0 476.691 4.777 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)S[C@@H](C)C1)C[NH+]1CCCC1 ZINC001360591295 1065598408 /nfs/dbraw/zinc/59/84/08/1065598408.db2.gz ALKMPRPLXGIJTJ-HRCADAONSA-N 1 0 484.533 4.831 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360591728 1065599033 /nfs/dbraw/zinc/59/90/33/1065599033.db2.gz IPYZOTGVVDILSU-DLBZAZTESA-N 1 0 463.468 4.640 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360591823 1065599568 /nfs/dbraw/zinc/59/95/68/1065599568.db2.gz KKDRQKDYRZNHQL-ZWKOTPCHSA-N 1 0 451.537 4.525 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360592076 1065599613 /nfs/dbraw/zinc/59/96/13/1065599613.db2.gz OZKSRTMENIMKAD-GHTZIAJQSA-N 1 0 490.490 4.691 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C)[C@H]1C)C[NH+]1CCCC1 ZINC001360592132 1065600007 /nfs/dbraw/zinc/60/00/07/1065600007.db2.gz PUVIEGMSNMYJOT-YSTOQKLRSA-N 1 0 461.651 4.619 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CCOC(C)(C)C)C[NH+]1CCCC1 ZINC001360592293 1065600117 /nfs/dbraw/zinc/60/01/17/1065600117.db2.gz SFVSILMJLPDKMK-MRXNPFEDSA-N 1 0 484.508 4.752 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC001360592541 1065601646 /nfs/dbraw/zinc/60/16/46/1065601646.db2.gz XJVTVGCANYFFRQ-WSTZPKSXSA-N 1 0 464.079 4.745 20 0 JJADRO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360592929 1065602484 /nfs/dbraw/zinc/60/24/84/1065602484.db2.gz AYQRFTYRNLMHHH-VQTJNVASSA-N 1 0 475.628 4.663 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)CC1CC(F)(F)C1)C[NH+]1CCCC1 ZINC001360593191 1065602661 /nfs/dbraw/zinc/60/26/61/1065602661.db2.gz FLTMAGVIPBPHCO-MRXNPFEDSA-N 1 0 482.417 4.921 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC001360593087 1065602671 /nfs/dbraw/zinc/60/26/71/1065602671.db2.gz DAKXXNQJSZSHGN-QGZVFWFLSA-N 1 0 498.416 4.587 20 0 JJADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC001360594097 1065604980 /nfs/dbraw/zinc/60/49/80/1065604980.db2.gz NYKADBCCCCEVKM-LJQANCHMSA-N 1 0 472.559 4.651 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)C1)C[NH+]1CCCC1 ZINC001360594562 1065605002 /nfs/dbraw/zinc/60/50/02/1065605002.db2.gz SPEZSKTYGOUIBO-IBGZPJMESA-N 1 0 461.601 4.732 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594828 1065605634 /nfs/dbraw/zinc/60/56/34/1065605634.db2.gz RCWPDOPHAGGCOH-AKFKNWHVSA-N 1 0 496.700 4.807 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360595394 1065606644 /nfs/dbraw/zinc/60/66/44/1065606644.db2.gz ZWLBCRWCTWQBPX-RBUKOAKNSA-N 1 0 457.619 4.987 20 0 JJADRO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCO1)C[NH+]1CCCC1 ZINC001360594978 1065606713 /nfs/dbraw/zinc/60/67/13/1065606713.db2.gz WWXVHZFUWSGSKC-AZUAARDMSA-N 1 0 464.079 4.571 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CC(F)(F)C1)C[NH+]1CCCCC1 ZINC001360596545 1065609195 /nfs/dbraw/zinc/60/91/95/1065609195.db2.gz BZVNHNFDMFQSES-OAHLLOKOSA-N 1 0 485.421 4.639 20 0 JJADRO CC(C)c1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360596756 1065610584 /nfs/dbraw/zinc/61/05/84/1065610584.db2.gz GSLHPJTWHBDIDT-RTWAWAEBSA-N 1 0 474.644 4.685 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360597169 1065612112 /nfs/dbraw/zinc/61/21/12/1065612112.db2.gz MJIQYZRVGDWXRD-ROUUACIJSA-N 1 0 496.519 4.896 20 0 JJADRO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001360597010 1065612151 /nfs/dbraw/zinc/61/21/51/1065612151.db2.gz KYHDWOPQNFHBRO-JYFHCDHNSA-N 1 0 497.728 4.995 20 0 JJADRO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001360597013 1065612162 /nfs/dbraw/zinc/61/21/62/1065612162.db2.gz KYHDWOPQNFHBRO-ZEQKJWHPSA-N 1 0 497.728 4.995 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCSC[C@@H]1C)C[NH+]1CCCCC1 ZINC001360597171 1065612202 /nfs/dbraw/zinc/61/22/02/1065612202.db2.gz MKCNZJPBHXRITO-MSOLQXFVSA-N 1 0 478.504 4.771 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCSC[C@H]1C)C[NH+]1CCCCC1 ZINC001360597174 1065612998 /nfs/dbraw/zinc/61/29/98/1065612998.db2.gz MKCNZJPBHXRITO-ZWKOTPCHSA-N 1 0 478.504 4.771 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC001360597385 1065613767 /nfs/dbraw/zinc/61/37/67/1065613767.db2.gz NZPVGLBAKPWBTA-VSKRKVRLSA-N 1 0 488.721 4.954 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H](C)c1cccc(C)c1 ZINC001545909727 1065614326 /nfs/dbraw/zinc/61/43/26/1065614326.db2.gz RAUHJRSSSZCRQT-OAQYLSRUSA-N 1 0 468.690 4.619 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360597563 1065614603 /nfs/dbraw/zinc/61/46/03/1065614603.db2.gz POCINSBPCLQPMI-IAGOWNOFSA-N 1 0 482.492 4.506 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360597570 1065614638 /nfs/dbraw/zinc/61/46/38/1065614638.db2.gz POHPXOACEZOOQU-SIKLNZKXSA-N 1 0 490.490 4.835 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597959 1065615878 /nfs/dbraw/zinc/61/58/78/1065615878.db2.gz UAVUFKWSPWKENQ-FNZWTVRRSA-N 1 0 457.638 4.848 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597807 1065615994 /nfs/dbraw/zinc/61/59/94/1065615994.db2.gz SANWQDDHSXNMOX-GPXNEJASSA-N 1 0 496.700 4.807 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1[C@H]1C[C@H](c2ccccc2C)C1 ZINC001545909908 1065616726 /nfs/dbraw/zinc/61/67/26/1065616726.db2.gz YWDPQKGWCNTIDA-AFARHQOCSA-N 1 0 480.701 4.934 20 0 JJADRO CC(C)c1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360598243 1065617530 /nfs/dbraw/zinc/61/75/30/1065617530.db2.gz VYSFHSXIHOWVQX-FQEVSTJZSA-N 1 0 460.066 4.665 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)C[NH+]1CCCCC1 ZINC001360598687 1065618838 /nfs/dbraw/zinc/61/88/38/1065618838.db2.gz DDGZFULYMFPKSV-YADHBBJMSA-N 1 0 470.681 4.843 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1)C[NH+]1CCCCC1 ZINC001360598839 1065620065 /nfs/dbraw/zinc/62/00/65/1065620065.db2.gz GKDUAOFOKOULCH-HXUWFJFHSA-N 1 0 489.655 4.755 20 0 JJADRO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1cc(F)ccc1F)C[NH+]1CCCCC1 ZINC001360599273 1065620693 /nfs/dbraw/zinc/62/06/93/1065620693.db2.gz MZVINBGLIBHHEX-OALUTQOASA-N 1 0 456.585 4.881 20 0 JJADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360599300 1065620760 /nfs/dbraw/zinc/62/07/60/1065620760.db2.gz NJPGROTVOHLDHT-OFNKIYASSA-N 1 0 460.066 4.650 20 0 JJADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360599298 1065620794 /nfs/dbraw/zinc/62/07/94/1065620794.db2.gz NJPGROTVOHLDHT-NFBKMPQASA-N 1 0 460.066 4.650 20 0 JJADRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1)C[NH+]1CCCCC1 ZINC001360599317 1065620827 /nfs/dbraw/zinc/62/08/27/1065620827.db2.gz NOASHEYLWZKKJO-GOTSBHOMSA-N 1 0 488.721 4.895 20 0 JJADRO C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1c(F)cccc1Cl)C[NH+]1CCCCC1 ZINC001360599468 1065620851 /nfs/dbraw/zinc/62/08/51/1065620851.db2.gz QDAFSCGTNYYVNP-GOSISDBHSA-N 1 0 456.997 4.891 20 0 JJADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360601557 1065623900 /nfs/dbraw/zinc/62/39/00/1065623900.db2.gz BMNOQXUUBHSYLQ-OALUTQOASA-N 1 0 483.554 4.897 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360601513 1065623952 /nfs/dbraw/zinc/62/39/52/1065623952.db2.gz AQQKQRQIHARJNF-GOTSBHOMSA-N 1 0 483.701 4.892 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1)C[NH+]1CCCCC1 ZINC001360601598 1065624676 /nfs/dbraw/zinc/62/46/76/1065624676.db2.gz CQKSYSCGEAOPIX-IRLDBZIGSA-N 1 0 486.661 4.702 20 0 JJADRO C[C@H](Cn1c(N2CCO[C@@H](c3ccc(F)cc3F)C2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603273 1065627969 /nfs/dbraw/zinc/62/79/69/1065627969.db2.gz SZJINLYQCJKMMF-PGRDOPGGSA-N 1 0 461.601 4.554 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)CC(C)(C)C1)C[NH+]1CCOCC1 ZINC001360602977 1065628025 /nfs/dbraw/zinc/62/80/25/1065628025.db2.gz FIYGYCFZTIMWTH-SJORKVTESA-N 1 0 496.519 4.610 20 0 JJADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001437901572 1065628341 /nfs/dbraw/zinc/62/83/41/1065628341.db2.gz KUHCPPLJCXVOFI-FQEVSTJZSA-N 1 0 457.405 4.729 20 0 JJADRO C[C@H](Cn1c(CC2CC2)nnc1N(C)Cc1cc(Br)cs1)C[NH+]1CCCCC1 ZINC001360603654 1065628701 /nfs/dbraw/zinc/62/87/01/1065628701.db2.gz WJYXOCYROIWIFY-INIZCTEOSA-N 1 0 466.493 4.813 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC001360603980 1065629783 /nfs/dbraw/zinc/62/97/83/1065629783.db2.gz YDNMPFRRJCMIHH-DHIUTWEWSA-N 1 0 483.701 4.749 20 0 JJADRO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001360612169 1065651885 /nfs/dbraw/zinc/65/18/85/1065651885.db2.gz XIJMJRWYKLRCAE-FQEVSTJZSA-N 1 0 474.694 4.551 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC001438037619 1065657780 /nfs/dbraw/zinc/65/77/80/1065657780.db2.gz XQYHNKDTULPIMC-OAHLLOKOSA-N 1 0 455.755 4.530 20 0 JJADRO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001438056686 1065660330 /nfs/dbraw/zinc/66/03/30/1065660330.db2.gz ITWSAAQEHXUFCU-FQEVSTJZSA-N 1 0 451.586 4.842 20 0 JJADRO Cc1ccc(C2(C(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)CCCCC2)c(Br)c1 ZINC001438057643 1065661017 /nfs/dbraw/zinc/66/10/17/1065661017.db2.gz DHBVETJGYGMVPE-IBGZPJMESA-N 1 0 451.449 4.529 20 0 JJADRO Cc1ccc(O[C@H](C)C(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC001438088483 1065668389 /nfs/dbraw/zinc/66/83/89/1065668389.db2.gz CCDYDRIKZYIXSE-GOSISDBHSA-N 1 0 457.412 4.531 20 0 JJADRO Cc1c(C(=O)Nc2cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(Cl)c2Cl)ccn1C ZINC001438094532 1065669225 /nfs/dbraw/zinc/66/92/25/1065669225.db2.gz JVJCIBXWZXZZHL-INIZCTEOSA-N 1 0 453.414 4.599 20 0 JJADRO Cc1ncccc1C(=O)Nc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(Cl)c1Cl ZINC001438095902 1065670008 /nfs/dbraw/zinc/67/00/08/1065670008.db2.gz SUFFNUADVXHJGK-INIZCTEOSA-N 1 0 451.398 4.655 20 0 JJADRO Cc1c(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc2c[nH+]cn21 ZINC001360626157 1065670498 /nfs/dbraw/zinc/67/04/98/1065670498.db2.gz WCYADYRQMOGFBV-UHFFFAOYSA-N 1 0 452.436 4.844 20 0 JJADRO CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001438124990 1065675946 /nfs/dbraw/zinc/67/59/46/1065675946.db2.gz VIPPGGYHONMLRA-HHHXNRCGSA-N 1 0 459.675 4.982 20 0 JJADRO C[C@H](N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001360632365 1065684819 /nfs/dbraw/zinc/68/48/19/1065684819.db2.gz OBWMCEHAYKFOKU-SFHVURJKSA-N 1 0 499.025 4.936 20 0 JJADRO C[C@@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+](C)C2CCCCC2)CC1)C(F)(F)F ZINC001360633193 1065686576 /nfs/dbraw/zinc/68/65/76/1065686576.db2.gz ZUFGMLZBXHJGMI-GOSISDBHSA-N 1 0 499.025 4.936 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CCC3)n2CCCCC[NH+]2CCCC2)C1 ZINC001360636873 1065696019 /nfs/dbraw/zinc/69/60/19/1065696019.db2.gz MYWZRMVJIVWLIF-JTHBVZDNSA-N 1 0 488.721 4.941 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001360636918 1065696836 /nfs/dbraw/zinc/69/68/36/1065696836.db2.gz NQPFSTVSFLXJKB-BHIFYINESA-N 1 0 490.737 4.970 20 0 JJADRO C[C@H](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360637018 1065698381 /nfs/dbraw/zinc/69/83/81/1065698381.db2.gz PPARHFHVXQOZRJ-BHIFYINESA-N 1 0 499.704 4.667 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)C1 ZINC001360637595 1065700942 /nfs/dbraw/zinc/70/09/42/1065700942.db2.gz YXZBDWKALCXJGD-BHDDXSALSA-N 1 0 490.737 4.826 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)C1 ZINC001360637594 1065701059 /nfs/dbraw/zinc/70/10/59/1065701059.db2.gz YXZBDWKALCXJGD-BDTNDASRSA-N 1 0 490.737 4.826 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1ccc(Cl)c(Cl)c1 ZINC001438247632 1065701660 /nfs/dbraw/zinc/70/16/60/1065701660.db2.gz DVZKBGQMMAJWRC-FQEVSTJZSA-N 1 0 450.410 4.688 20 0 JJADRO CC(C)Cc1ccc(CC(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)cc1 ZINC001438270842 1065705542 /nfs/dbraw/zinc/70/55/42/1065705542.db2.gz XWZJHUDZHRNRGH-UHFFFAOYSA-N 1 0 452.599 4.518 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360638997 1065705734 /nfs/dbraw/zinc/70/57/34/1065705734.db2.gz MCPMQDFFMLBBEM-FYYLOGMGSA-N 1 0 490.737 4.871 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001360640192 1065709901 /nfs/dbraw/zinc/70/99/01/1065709901.db2.gz UZVIDLFNEKFUJB-GGAORHGYSA-N 1 0 482.673 4.561 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001438334063 1065711287 /nfs/dbraw/zinc/71/12/87/1065711287.db2.gz RXBAHDQESBGHIF-YOEHRIQHSA-N 1 0 455.318 4.966 20 0 JJADRO C[C@H](Cn1c(C2CC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360641101 1065712510 /nfs/dbraw/zinc/71/25/10/1065712510.db2.gz CVJGGWVSQXGVRK-NHCUHLMSSA-N 1 0 496.700 4.806 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001360641406 1065713591 /nfs/dbraw/zinc/71/35/91/1065713591.db2.gz HSIHVVAFGGMCFA-NRFANRHFSA-N 1 0 496.700 4.807 20 0 JJADRO C[C@@H](CCn1c(C2CCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360642769 1065716843 /nfs/dbraw/zinc/71/68/43/1065716843.db2.gz WIHPJHUJFOTSPQ-SFTDATJTSA-N 1 0 488.721 4.940 20 0 JJADRO O=C(CN(C(=O)c1ccccc1)c1ccccc1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001438363258 1065716896 /nfs/dbraw/zinc/71/68/96/1065716896.db2.gz ZUOHEWDUZOFBOF-SANMLTNESA-N 1 0 455.602 4.894 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 ZINC001360644548 1065718922 /nfs/dbraw/zinc/71/89/22/1065718922.db2.gz APVHDTUMHAMAGN-TUACAJSNSA-N 1 0 493.700 4.696 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccs1)c1ccccc1 ZINC001360645582 1065721067 /nfs/dbraw/zinc/72/10/67/1065721067.db2.gz KATRCRTYIZSSRT-LJQANCHMSA-N 1 0 489.649 4.753 20 0 JJADRO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001438455989 1065721984 /nfs/dbraw/zinc/72/19/84/1065721984.db2.gz DSIAWUSJDCFRGB-RZUBCFFCSA-N 1 0 452.904 4.741 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001360647036 1065723133 /nfs/dbraw/zinc/72/31/33/1065723133.db2.gz VCLCDIQGDNSCNS-UGKGYDQZSA-N 1 0 480.682 4.835 20 0 JJADRO CSCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001360654073 1065725774 /nfs/dbraw/zinc/72/57/74/1065725774.db2.gz BZHKYYPVPKJZPW-LJQANCHMSA-N 1 0 451.592 4.714 20 0 JJADRO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001360658756 1065727566 /nfs/dbraw/zinc/72/75/66/1065727566.db2.gz PEHVVUGLJLIJSY-GGAORHGYSA-N 1 0 458.002 4.548 20 0 JJADRO COc1ccc(CCCCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)cc1 ZINC001360658796 1065728595 /nfs/dbraw/zinc/72/85/95/1065728595.db2.gz PTBCVCBSWUBSDP-XMMPIXPASA-N 1 0 451.611 4.603 20 0 JJADRO O=C(CCc1nc2cc(Br)ccc2s1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001438583151 1065734187 /nfs/dbraw/zinc/73/41/87/1065734187.db2.gz RCNYEBWSBYTCKP-KRWDZBQOSA-N 1 0 450.446 4.905 20 0 JJADRO CCc1c(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cnn1-c1cccc(Cl)c1 ZINC001438745738 1065748314 /nfs/dbraw/zinc/74/83/14/1065748314.db2.gz FZXAXHCZFUCPPC-UHFFFAOYSA-N 1 0 455.965 4.621 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3cc(Cl)ccc3Br)cc2F)CC1 ZINC001438748990 1065749441 /nfs/dbraw/zinc/74/94/41/1065749441.db2.gz PYELOAHODVRROH-UHFFFAOYSA-N 1 0 454.771 4.565 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)CC(C)(C)NC(=O)OCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001360735338 1065763463 /nfs/dbraw/zinc/76/34/63/1065763463.db2.gz PIGHPEOAMLKEOD-URXFXBBRSA-N 1 0 451.611 4.593 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360738553 1065769020 /nfs/dbraw/zinc/76/90/20/1065769020.db2.gz NQCGLZPRDKLMPP-IAGOWNOFSA-N 1 0 451.537 4.523 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2nccs2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360739163 1065770234 /nfs/dbraw/zinc/77/02/34/1065770234.db2.gz QUWAKTBWNHBOHP-IBGZPJMESA-N 1 0 486.661 4.815 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001360741899 1065776018 /nfs/dbraw/zinc/77/60/18/1065776018.db2.gz SODCYFSEWWCFQB-VQTJNVASSA-N 1 0 473.637 4.540 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001439003745 1065776491 /nfs/dbraw/zinc/77/64/91/1065776491.db2.gz XMXYZTJXMKRXFD-KRWDZBQOSA-N 1 0 455.505 4.803 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)COc2ccccc2OCc2ccccc2)[C@@H]1c1cccs1 ZINC001360742091 1065776600 /nfs/dbraw/zinc/77/66/00/1065776600.db2.gz VAXWMQCGCZHNPV-QFQXNSOFSA-N 1 0 450.604 4.905 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccccc2OCc2ccccc2)[C@H]1c1cccs1 ZINC001360742089 1065776646 /nfs/dbraw/zinc/77/66/46/1065776646.db2.gz VAXWMQCGCZHNPV-LVXARBLLSA-N 1 0 450.604 4.905 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360743758 1065779812 /nfs/dbraw/zinc/77/98/12/1065779812.db2.gz IQRRMHYFYREOCL-QGZVFWFLSA-N 1 0 451.537 4.667 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCSC(F)(F)F ZINC001360743655 1065779920 /nfs/dbraw/zinc/77/99/20/1065779920.db2.gz HJKHAYRBADGEDS-AEFFLSMTSA-N 1 0 487.567 4.875 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001360743618 1065779985 /nfs/dbraw/zinc/77/99/85/1065779985.db2.gz GWPISAURVDFOGJ-MRXNPFEDSA-N 1 0 498.430 4.567 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCOC(C)(C)C)CC1 ZINC001360743830 1065780478 /nfs/dbraw/zinc/78/04/78/1065780478.db2.gz KLAUMJUZKJTDOJ-HXUWFJFHSA-N 1 0 475.653 4.929 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC=C(Br)C2)n1CCC[NH+]1CCCC1 ZINC001360744800 1065783197 /nfs/dbraw/zinc/78/31/97/1065783197.db2.gz AUARSWBMNMVKDH-QGZVFWFLSA-N 1 0 478.410 4.532 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCC(F)(F)F ZINC001360749093 1065791712 /nfs/dbraw/zinc/79/17/12/1065791712.db2.gz LLHCYJKGSFHQRA-MRXNPFEDSA-N 1 0 457.516 4.820 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCSCC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001360749502 1065792725 /nfs/dbraw/zinc/79/27/25/1065792725.db2.gz FEOUSSZKIBCHIR-VQTJNVASSA-N 1 0 461.651 4.765 20 0 JJADRO CC(C)[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCCC1 ZINC001360749898 1065793649 /nfs/dbraw/zinc/79/36/49/1065793649.db2.gz IYDUYLFHFZKMPH-MIZPHKNDSA-N 1 0 473.637 4.681 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001360750674 1065795726 /nfs/dbraw/zinc/79/57/26/1065795726.db2.gz YNFXOTAJNQNIGR-UQBPGWFLSA-N 1 0 473.637 4.683 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCS1 ZINC001360750877 1065796651 /nfs/dbraw/zinc/79/66/51/1065796651.db2.gz RCGDPJVGKIOUNL-NSXLHWASSA-N 1 0 493.718 4.572 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360753667 1065800497 /nfs/dbraw/zinc/80/04/97/1065800497.db2.gz GUDBYHBLWTWZRK-VQTJNVASSA-N 1 0 476.065 4.666 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001360754321 1065803625 /nfs/dbraw/zinc/80/36/25/1065803625.db2.gz RTSCQMWYHDBALP-IBGZPJMESA-N 1 0 476.065 4.687 20 0 JJADRO C[C@@H](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCOC1)[NH+]1CCCCC1 ZINC001360754509 1065805729 /nfs/dbraw/zinc/80/57/29/1065805729.db2.gz VYCMWEVYDFCHGI-PCCBWWKXSA-N 1 0 476.065 4.809 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC=C(Br)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360758088 1065822265 /nfs/dbraw/zinc/82/22/65/1065822265.db2.gz MNPBLPRFBJKLKA-MGPUTAFESA-N 1 0 494.865 4.901 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545922524 1065826580 /nfs/dbraw/zinc/82/65/80/1065826580.db2.gz KAFKZGQZIRGPOQ-UHFFFAOYSA-N 1 0 498.638 4.630 20 0 JJADRO C[C@@H](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@H]1C)[NH+]1CCCCC1 ZINC001360760289 1065831895 /nfs/dbraw/zinc/83/18/95/1065831895.db2.gz JSBRRTLCCNQBLE-ZCNNSNEGSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC2(CCCCC2)C1)[NH+](C)C ZINC001360760615 1065833110 /nfs/dbraw/zinc/83/31/10/1065833110.db2.gz PQVCVFLRKPBSGP-OALUTQOASA-N 1 0 462.038 4.561 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001360760670 1065833369 /nfs/dbraw/zinc/83/33/69/1065833369.db2.gz QYSJMKKZVRSWLB-GOSISDBHSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[NH+]1CCCC1 ZINC001360760826 1065834923 /nfs/dbraw/zinc/83/49/23/1065834923.db2.gz UAIKMXBNMCJSGZ-RBUKOAKNSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360760854 1065834945 /nfs/dbraw/zinc/83/49/45/1065834945.db2.gz UKUUIZWFBSSMPV-FGSXEWAUSA-N 1 0 476.065 4.806 20 0 JJADRO CC(C)[NH+](CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C)C(C)C ZINC001360762695 1065839967 /nfs/dbraw/zinc/83/99/67/1065839967.db2.gz KDSOYWOWPRMKSW-NZQKXSOJSA-N 1 0 497.663 4.923 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC(C)(C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360762715 1065840743 /nfs/dbraw/zinc/84/07/43/1065840743.db2.gz KJSCFOWHKVEDAM-HXOBKFHXSA-N 1 0 496.146 4.841 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC(C)(C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360762716 1065840838 /nfs/dbraw/zinc/84/08/38/1065840838.db2.gz KJSCFOWHKVEDAM-SBUREZEXSA-N 1 0 496.146 4.841 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360764799 1065846365 /nfs/dbraw/zinc/84/63/65/1065846365.db2.gz FMNZOZWZHTVPID-ZVDOUQERSA-N 1 0 487.645 4.784 20 0 JJADRO C[C@@H](CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1nccs1)[NH+]1CCCCC1 ZINC001360765739 1065851804 /nfs/dbraw/zinc/85/18/04/1065851804.db2.gz XORIEFRTZJCFPF-OALUTQOASA-N 1 0 472.634 4.915 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCc2cccs2)n1CC[NH+]1CCCCC1 ZINC001360766887 1065854544 /nfs/dbraw/zinc/85/45/44/1065854544.db2.gz FQYXBSLKQHUPHZ-LJQANCHMSA-N 1 0 457.619 4.784 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCCC(C)(C)C ZINC001545924172 1065858033 /nfs/dbraw/zinc/85/80/33/1065858033.db2.gz RSJZRKPBKBBGSA-OAQYLSRUSA-N 1 0 468.690 4.734 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H]1CCC[C@H]1CC ZINC001545924177 1065858142 /nfs/dbraw/zinc/85/81/42/1065858142.db2.gz RWRZGUMZIARUGS-RPWUZVMVSA-N 1 0 480.701 4.653 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001360769010 1065859719 /nfs/dbraw/zinc/85/97/19/1065859719.db2.gz BYNWGXSBGFLQAB-QUCCMNQESA-N 1 0 495.590 4.538 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001360769621 1065862394 /nfs/dbraw/zinc/86/23/94/1065862394.db2.gz LDSINTJOBHYKRH-LSDHHAIUSA-N 1 0 468.404 4.939 20 0 JJADRO C[C@@]1(NC(=O)c2ncccc2Br)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439757803 1065871053 /nfs/dbraw/zinc/87/10/53/1065871053.db2.gz ONTBJPDZEHDPKN-GBXCKJPGSA-N 1 0 450.380 4.632 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCOC(F)(F)F ZINC001360773804 1065872310 /nfs/dbraw/zinc/87/23/10/1065872310.db2.gz LRGVHXFOPFHLKR-GOSISDBHSA-N 1 0 499.553 4.938 20 0 JJADRO CC(C)[C@@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001360774169 1065873165 /nfs/dbraw/zinc/87/31/65/1065873165.db2.gz OGRVFAYVDZTVSA-ZBLYBZFDSA-N 1 0 487.664 4.667 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)C(F)(F)F)CC1 ZINC001360774188 1065873399 /nfs/dbraw/zinc/87/33/99/1065873399.db2.gz OJVAYNNTSKKZID-INIZCTEOSA-N 1 0 457.516 4.676 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001360774797 1065874759 /nfs/dbraw/zinc/87/47/59/1065874759.db2.gz SZVHUPSDCHXOJU-HRFSGMKKSA-N 1 0 487.664 4.809 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360774828 1065875205 /nfs/dbraw/zinc/87/52/05/1065875205.db2.gz UGHBKVBJXYQLKU-YZUZCNPQSA-N 1 0 487.664 4.929 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CC(F)(F)C2)CC1 ZINC001360775025 1065875915 /nfs/dbraw/zinc/87/59/15/1065875915.db2.gz WSSNZEZLIZXZAF-QGZVFWFLSA-N 1 0 451.537 4.523 20 0 JJADRO CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001360775255 1065877467 /nfs/dbraw/zinc/87/74/67/1065877467.db2.gz ZDWFELULGBUXME-VXKWHMMOSA-N 1 0 487.664 4.788 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC(C)(C)C(C)C ZINC001545925412 1065879268 /nfs/dbraw/zinc/87/92/68/1065879268.db2.gz LEIQWOQBWBVBLJ-UHFFFAOYSA-N 1 0 460.711 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001545925532 1065881554 /nfs/dbraw/zinc/88/15/54/1065881554.db2.gz PCQIMGFRSCMATK-FQEVSTJZSA-N 1 0 486.680 4.698 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCCCC[NH+]1CCCC1 ZINC001360778809 1065885856 /nfs/dbraw/zinc/88/58/56/1065885856.db2.gz RRGVWRGFRCRGKQ-LEWJYISDSA-N 1 0 473.637 4.827 20 0 JJADRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001439887913 1065889240 /nfs/dbraw/zinc/88/92/40/1065889240.db2.gz GBUWFOQVSWPJGY-FQEVSTJZSA-N 1 0 453.384 4.516 20 0 JJADRO CC1(C)CC[N@H+](CCNC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC001440036948 1065905938 /nfs/dbraw/zinc/90/59/38/1065905938.db2.gz YCQOZLULARWOJO-UHFFFAOYSA-N 1 0 457.043 4.678 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3OCc3ccccc3Br)C[C@@H]2C1 ZINC001440076163 1065909954 /nfs/dbraw/zinc/90/99/54/1065909954.db2.gz JGYMCBBTUXYYCE-YZGWKJHDSA-N 1 0 457.412 4.830 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3OCc3ccccc3Br)C[C@H]2C1 ZINC001440076142 1065910044 /nfs/dbraw/zinc/91/00/44/1065910044.db2.gz JGYMCBBTUXYYCE-DFQSSKMNSA-N 1 0 457.412 4.830 20 0 JJADRO CC1(C)C[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001360801558 1065912270 /nfs/dbraw/zinc/91/22/70/1065912270.db2.gz HJYHMSKKWHBTKD-KRWDZBQOSA-N 1 0 485.982 4.736 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)c1ccccc1 ZINC001440137562 1065914736 /nfs/dbraw/zinc/91/47/36/1065914736.db2.gz BDVPSPQLKASFFN-LJQANCHMSA-N 1 0 457.423 4.600 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001440137588 1065914950 /nfs/dbraw/zinc/91/49/50/1065914950.db2.gz BWUJVBQNSKXLTI-JTHBVZDNSA-N 1 0 455.599 4.703 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccccc1 ZINC001440142742 1065915851 /nfs/dbraw/zinc/91/58/51/1065915851.db2.gz QMHWKVHIMGWZMT-NTKDMRAZSA-N 1 0 458.027 4.858 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)c3cnccc32)CC1 ZINC001440151663 1065917547 /nfs/dbraw/zinc/91/75/47/1065917547.db2.gz ZQMZAJVQTYOWGK-UHFFFAOYSA-N 1 0 459.775 4.655 20 0 JJADRO CC1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCSCC2)CC1 ZINC001360817303 1065930615 /nfs/dbraw/zinc/93/06/15/1065930615.db2.gz LAASEIDFGNLLBU-UHFFFAOYSA-N 1 0 484.497 4.839 20 0 JJADRO COc1ccc([C@H](CNC(=O)c2cc3c([nH]2)c(Br)ccc3C)[NH+]2CCCC2)cc1 ZINC001440376384 1065934309 /nfs/dbraw/zinc/93/43/09/1065934309.db2.gz RCFIEXOUGDHPHJ-NRFANRHFSA-N 1 0 456.384 4.814 20 0 JJADRO COc1ccc([C@@H](CNC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)[NH+]2CCCC2)cc1 ZINC001440379450 1065934621 /nfs/dbraw/zinc/93/46/21/1065934621.db2.gz WLWKORFTQAFNOB-HSZRJFAPSA-N 1 0 453.970 4.715 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1nccc2c(Br)cccc21)[NH+]1CCCC1 ZINC001440382064 1065934975 /nfs/dbraw/zinc/93/49/75/1065934975.db2.gz CGGNXSXFUSQYNN-FQEVSTJZSA-N 1 0 454.368 4.573 20 0 JJADRO CC1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCCCC2)CCS1 ZINC001360821385 1065935280 /nfs/dbraw/zinc/93/52/80/1065935280.db2.gz XLSURXZUOVJDEN-UHFFFAOYSA-N 1 0 465.614 4.754 20 0 JJADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440384708 1065936220 /nfs/dbraw/zinc/93/62/20/1065936220.db2.gz KQZJHIIOAGEADX-QGZVFWFLSA-N 1 0 450.004 4.508 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001440509924 1065945520 /nfs/dbraw/zinc/94/55/20/1065945520.db2.gz OEGZDLKCSOLPEH-QTJGBDASSA-N 1 0 455.643 4.583 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(C)CCCO2)CC1 ZINC001360844212 1065952743 /nfs/dbraw/zinc/95/27/43/1065952743.db2.gz UCTMFTKFOLJQJN-QHCPKHFHSA-N 1 0 482.456 4.654 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001440635089 1065955944 /nfs/dbraw/zinc/95/59/44/1065955944.db2.gz IAIKTTRTPRBWOE-NRJQMVOHSA-N 1 0 452.014 4.548 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001440638747 1065957033 /nfs/dbraw/zinc/95/70/33/1065957033.db2.gz RVTLIHZTZREOHC-QGZVFWFLSA-N 1 0 459.432 4.508 20 0 JJADRO Cc1ccccc1-c1cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC001440665021 1065960661 /nfs/dbraw/zinc/96/06/61/1065960661.db2.gz HEZNTMNDJPNVFT-JOCHJYFZSA-N 1 0 455.606 4.890 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2cc(Br)cs2)n1)Cc1ccccc1 ZINC001440666842 1065961031 /nfs/dbraw/zinc/96/10/31/1065961031.db2.gz RYFLCNZHUUHBFJ-HNNXBMFYSA-N 1 0 450.427 4.537 20 0 JJADRO CO[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(Br)s1 ZINC001440677236 1065964023 /nfs/dbraw/zinc/96/40/23/1065964023.db2.gz DBSXPVHZHICDHL-GOSISDBHSA-N 1 0 457.821 4.632 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678251 1065964040 /nfs/dbraw/zinc/96/40/40/1065964040.db2.gz VSSRJMDYKILKAL-FGZHOGPDSA-N 1 0 451.394 4.587 20 0 JJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001440680758 1065964794 /nfs/dbraw/zinc/96/47/94/1065964794.db2.gz FJUSZJHJNIOARO-UHFFFAOYSA-N 1 0 457.640 4.813 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001360851845 1065966067 /nfs/dbraw/zinc/96/60/67/1065966067.db2.gz SIALXSDIUKUNQA-FQEVSTJZSA-N 1 0 473.394 4.594 20 0 JJADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Br)ccc1Br ZINC001440684125 1065966454 /nfs/dbraw/zinc/96/64/54/1065966454.db2.gz NNGXLMOYOVKHQD-UHFFFAOYSA-N 1 0 452.190 4.737 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001360853719 1065970779 /nfs/dbraw/zinc/97/07/79/1065970779.db2.gz IQZMGGHYTSTIMU-IBGZPJMESA-N 1 0 493.519 4.633 20 0 JJADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001440723854 1065971667 /nfs/dbraw/zinc/97/16/67/1065971667.db2.gz CWKISGRIBQGJPX-UHFFFAOYSA-N 1 0 454.368 4.761 20 0 JJADRO CC1=C(Br)CN(c2nnc(CC3CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001360854289 1065973088 /nfs/dbraw/zinc/97/30/88/1065973088.db2.gz UHTHYLAWQVRMCE-MRXNPFEDSA-N 1 0 450.469 4.620 20 0 JJADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001440742245 1065974329 /nfs/dbraw/zinc/97/43/29/1065974329.db2.gz BICMGRWPJWYFHG-IZZNHLLZSA-N 1 0 454.058 4.938 20 0 JJADRO CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001440742555 1065974362 /nfs/dbraw/zinc/97/43/62/1065974362.db2.gz RTSIGMQZAWQSQV-CEWLAPEOSA-N 1 0 450.023 4.629 20 0 JJADRO Cc1ccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CCC[NH+]2CCCC2)cc1C ZINC001360857548 1065975454 /nfs/dbraw/zinc/97/54/54/1065975454.db2.gz DBLXWQQRRNGFGA-UHFFFAOYSA-N 1 0 488.474 4.839 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001360857999 1065977054 /nfs/dbraw/zinc/97/70/54/1065977054.db2.gz UQSPJDOLFONXFK-FBBABVLZSA-N 1 0 494.522 4.808 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001360862605 1065981299 /nfs/dbraw/zinc/98/12/99/1065981299.db2.gz UBXYYTCEIXAHPZ-LJQANCHMSA-N 1 0 468.690 4.778 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1C ZINC001360865182 1065983550 /nfs/dbraw/zinc/98/35/50/1065983550.db2.gz UEEYJQKBWDAODZ-JOCHJYFZSA-N 1 0 454.663 4.604 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2cccc(OC(F)(F)F)c2)CC1)c1cccc(OC)c1 ZINC001440884878 1065989940 /nfs/dbraw/zinc/98/99/40/1065989940.db2.gz ZOBIEISKJZAMMV-NRFANRHFSA-N 1 0 450.501 4.825 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CCC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360868649 1065993279 /nfs/dbraw/zinc/99/32/79/1065993279.db2.gz JJBOPQBXCBRTGB-XJUOHMSHSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccccn3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360868841 1065994503 /nfs/dbraw/zinc/99/45/03/1065994503.db2.gz KPUFYOFNOIDMNZ-QFIPXVFZSA-N 1 0 462.642 4.941 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360868878 1065994981 /nfs/dbraw/zinc/99/49/81/1065994981.db2.gz CBUFDASDXSGVAG-UNMCSNQZSA-N 1 0 469.674 4.913 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC001360869114 1065996533 /nfs/dbraw/zinc/99/65/33/1065996533.db2.gz FBWRNRRINDEJBS-NAMDQGSHSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360869366 1065997709 /nfs/dbraw/zinc/99/77/09/1065997709.db2.gz OHVJNGUQPXMZFY-QUCCMNQESA-N 1 0 486.064 4.543 20 0 JJADRO Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@H](c3ccsc3)[NH+](C)C)[C@@H]2c2cccs2)cc1 ZINC001441003441 1065999399 /nfs/dbraw/zinc/99/93/99/1065999399.db2.gz FZOHVTLACKMYAY-MIZPHKNDSA-N 1 0 453.633 4.631 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnccn3)n2CC(C)(C)[NH+]2CCCCC2)c1C ZINC001360870797 1066003710 /nfs/dbraw/zinc/00/37/10/1066003710.db2.gz ZIBSRLMOIOXQGC-QFIPXVFZSA-N 1 0 477.657 4.726 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccco3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001360870773 1066003762 /nfs/dbraw/zinc/00/37/62/1066003762.db2.gz ZBCRISQTYAOSDS-KNQAVFIVSA-N 1 0 451.615 4.996 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCOC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360871352 1066004550 /nfs/dbraw/zinc/00/45/50/1066004550.db2.gz WLWGPKJFTPEQCV-IRLDBZIGSA-N 1 0 457.663 4.771 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCSCc3nc4ccccc4c(=O)[nH]3)cc2)C1 ZINC001441064650 1066005167 /nfs/dbraw/zinc/00/51/67/1066005167.db2.gz YGBSJXIGUMRLDN-GOSISDBHSA-N 1 0 450.608 4.829 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)CC1 ZINC001441063981 1066005350 /nfs/dbraw/zinc/00/53/50/1066005350.db2.gz XEIMQDAPEVBVEL-HSZRJFAPSA-N 1 0 455.643 4.572 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1C ZINC001360872876 1066007026 /nfs/dbraw/zinc/00/70/26/1066007026.db2.gz AMNKUGAUTHIRDU-LOSJGSFVSA-N 1 0 496.744 4.933 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360872973 1066007636 /nfs/dbraw/zinc/00/76/36/1066007636.db2.gz DGMAUNFVJWUAIL-GMKZXUHWSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360873254 1066008295 /nfs/dbraw/zinc/00/82/95/1066008295.db2.gz DFVFPLFZJMLJLL-NEKDWFFYSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CCC(C)C)c1C ZINC001360873275 1066008464 /nfs/dbraw/zinc/00/84/64/1066008464.db2.gz GGFZKJDSBFTKGG-JWQCQUIFSA-N 1 0 482.717 4.686 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1C ZINC001360873560 1066009277 /nfs/dbraw/zinc/00/92/77/1066009277.db2.gz FPDCOGNSNPHOEP-BJKOFHAPSA-N 1 0 469.674 4.652 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC[NH+]2CCSCC2)c1C ZINC001360874128 1066011730 /nfs/dbraw/zinc/01/17/30/1066011730.db2.gz MTTIOKJNZBMHGX-CZTZKLFOSA-N 1 0 457.688 4.566 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CC[NH+]2CCSCC2)c1C ZINC001360874130 1066011892 /nfs/dbraw/zinc/01/18/92/1066011892.db2.gz MTTIOKJNZBMHGX-RCZSKKKRSA-N 1 0 457.688 4.566 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cccc(SC(F)(F)F)c3)CC2)c1 ZINC001441234888 1066017520 /nfs/dbraw/zinc/01/75/20/1066017520.db2.gz AJAWOAIRYDZFES-UHFFFAOYSA-N 1 0 451.558 4.939 20 0 JJADRO CC[C@H](CNC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)[N@@H+]1CCc2ccccc2C1 ZINC001441244689 1066019653 /nfs/dbraw/zinc/01/96/53/1066019653.db2.gz RPACTQPALAVEIG-HXUWFJFHSA-N 1 0 452.002 4.611 20 0 JJADRO C[NH+](C)CCc1cccc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC001441247775 1066020049 /nfs/dbraw/zinc/02/00/49/1066020049.db2.gz KABORHVVBSSKHK-UHFFFAOYSA-N 1 0 451.611 4.616 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC=C(Br)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001360875846 1066020204 /nfs/dbraw/zinc/02/02/04/1066020204.db2.gz ZQILQIJDSPIDSN-IBGZPJMESA-N 1 0 476.463 4.864 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360876802 1066020913 /nfs/dbraw/zinc/02/09/13/1066020913.db2.gz BKYFLCQHKZGPKA-WXVAWEFUSA-N 1 0 469.674 4.507 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CC[C@H](F)C2)c1C ZINC001360876872 1066021642 /nfs/dbraw/zinc/02/16/42/1066021642.db2.gz CFHCHHGAFWCOKZ-ZLNRFVROSA-N 1 0 457.638 4.951 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCCOC(C)C)c1C ZINC001360876878 1066021880 /nfs/dbraw/zinc/02/18/80/1066021880.db2.gz CHTIHRAXELAYLJ-QFIPXVFZSA-N 1 0 455.647 4.525 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)(C(F)(F)F)CC1 ZINC001441300360 1066023910 /nfs/dbraw/zinc/02/39/10/1066023910.db2.gz SMWYUORGLRMUDX-UHFFFAOYSA-N 1 0 455.521 4.801 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CC(F)(F)F)c1C ZINC001360877674 1066023974 /nfs/dbraw/zinc/02/39/74/1066023974.db2.gz NNSLTELOCNOOIJ-APWZRJJASA-N 1 0 465.564 4.908 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2C[C@H](c2ccsc2)[NH+](C)C)c1C ZINC001360877908 1066024336 /nfs/dbraw/zinc/02/43/36/1066024336.db2.gz PSHSHKCRAIKGOS-RBBKRZOGSA-N 1 0 469.655 4.626 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCSCC3)n2CCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001360879078 1066028670 /nfs/dbraw/zinc/02/86/70/1066028670.db2.gz FUPQUKUTPQCJLM-IRLDBZIGSA-N 1 0 457.688 4.853 20 0 JJADRO COc1ccccc1Nc1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001441326906 1066028838 /nfs/dbraw/zinc/02/88/38/1066028838.db2.gz SWEWMZUHVGYDFB-OYRHEFFESA-N 1 0 459.590 4.978 20 0 JJADRO O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001441328865 1066029026 /nfs/dbraw/zinc/02/90/26/1066029026.db2.gz SIDBXFZTZXMHNZ-FQEVSTJZSA-N 1 0 459.377 4.929 20 0 JJADRO COc1ccccc1Nc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC001441326901 1066029086 /nfs/dbraw/zinc/02/90/86/1066029086.db2.gz SWEWMZUHVGYDFB-NHCUHLMSSA-N 1 0 459.590 4.978 20 0 JJADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C(F)(F)c1ccccc1 ZINC001441330194 1066029348 /nfs/dbraw/zinc/02/93/48/1066029348.db2.gz ZHVOJYMFLITWIB-UHFFFAOYSA-N 1 0 455.471 4.516 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360879500 1066030688 /nfs/dbraw/zinc/03/06/88/1066030688.db2.gz LSGHPGVNLXJXHJ-XJUOHMSHSA-N 1 0 499.700 4.538 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)c1C ZINC001360879595 1066031037 /nfs/dbraw/zinc/03/10/37/1066031037.db2.gz MXAISNKEUHBDCM-ZILOHOTNSA-N 1 0 469.674 4.769 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCSCC3)n2CC(C)(C)[NH+]2CCCCC2)c1C ZINC001360879632 1066031102 /nfs/dbraw/zinc/03/11/02/1066031102.db2.gz NIZCCVZGLHCAHH-OAQYLSRUSA-N 1 0 457.688 4.853 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)cc2)C1 ZINC001441350472 1066031447 /nfs/dbraw/zinc/03/14/47/1066031447.db2.gz DVEZKXHFZAPOJZ-FQEVSTJZSA-N 1 0 451.611 4.873 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)cc2)C1 ZINC001441350477 1066031832 /nfs/dbraw/zinc/03/18/32/1066031832.db2.gz DVEZKXHFZAPOJZ-HXUWFJFHSA-N 1 0 451.611 4.873 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@H]3C)n2CCC[N@H+](C)C2CCCCC2)c1C ZINC001360879953 1066031849 /nfs/dbraw/zinc/03/18/49/1066031849.db2.gz SNRPGJHDMWNXMO-FYYLOGMGSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1C ZINC001360881387 1066034610 /nfs/dbraw/zinc/03/46/10/1066034610.db2.gz KSPSFGJFEZUYST-UHFFFAOYSA-N 1 0 464.658 4.816 20 0 JJADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2CCCCC[NH+]2CCCC2)cc1C ZINC001360881924 1066034893 /nfs/dbraw/zinc/03/48/93/1066034893.db2.gz SCHUFQOJVQWRNL-UHFFFAOYSA-N 1 0 464.658 4.960 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 ZINC001441366084 1066035471 /nfs/dbraw/zinc/03/54/71/1066035471.db2.gz RYFYFPQHBNPIER-HSZRJFAPSA-N 1 0 452.643 4.530 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001360884975 1066039647 /nfs/dbraw/zinc/03/96/47/1066039647.db2.gz NKBWLHLENCBCEL-GOSISDBHSA-N 1 0 461.452 4.703 20 0 JJADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC001441420203 1066039676 /nfs/dbraw/zinc/03/96/76/1066039676.db2.gz KTGHBFJGMGNLTQ-UHFFFAOYSA-N 1 0 457.578 4.639 20 0 JJADRO CC1=C(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001360887912 1066041555 /nfs/dbraw/zinc/04/15/55/1066041555.db2.gz KANLQZPKEDQPFH-QFIPXVFZSA-N 1 0 486.705 4.814 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)C1 ZINC001441467940 1066043421 /nfs/dbraw/zinc/04/34/21/1066043421.db2.gz UCNVYOWWCGVTRB-MZKRTTBSSA-N 1 0 457.659 4.816 20 0 JJADRO CC1=C(C)CN(c2nnc(CCCc3ccccc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001360892263 1066043869 /nfs/dbraw/zinc/04/38/69/1066043869.db2.gz RAAGOEVZSMNGJO-DEOSSOPVSA-N 1 0 451.659 4.501 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)C1 ZINC001441476196 1066045134 /nfs/dbraw/zinc/04/51/34/1066045134.db2.gz BUKHDNDJEQVLND-NVXDSCFRSA-N 1 0 457.659 4.864 20 0 JJADRO CC1=C(C)CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001360893100 1066045548 /nfs/dbraw/zinc/04/55/48/1066045548.db2.gz YOXWWGYJSGTRCQ-QFIPXVFZSA-N 1 0 455.622 4.911 20 0 JJADRO CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001360893112 1066045695 /nfs/dbraw/zinc/04/56/95/1066045695.db2.gz ZDVXEZJOWSMKHC-VWLOTQADSA-N 1 0 495.712 4.938 20 0 JJADRO COC(=O)c1ccoc1CSc1ccccc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001441502195 1066046919 /nfs/dbraw/zinc/04/69/19/1066046919.db2.gz VCWFXSDSSABKQK-OALUTQOASA-N 1 0 458.624 4.846 20 0 JJADRO Cc1nc([C@@H]2CCCN(c3nnc(-c4cccn4C)n3CC[NH+](C(C)C)C(C)C)C2)sc1C ZINC001360894819 1066047146 /nfs/dbraw/zinc/04/71/46/1066047146.db2.gz VYLSSFRLIDLNEV-OAQYLSRUSA-N 1 0 469.703 4.860 20 0 JJADRO Cc1nc([C@H]2CCCN(c3nnc(COc4ccccc4F)n3CC[N@@H+](C)C(C)C)C2)sc1C ZINC001360895665 1066048426 /nfs/dbraw/zinc/04/84/26/1066048426.db2.gz IXEUNOYRPWZMGC-FQEVSTJZSA-N 1 0 486.661 4.794 20 0 JJADRO Cc1nc([C@@H]2CCCN(c3nnc(COc4ccccc4F)n3CC[N@@H+](C)C(C)C)C2)sc1C ZINC001360895666 1066048498 /nfs/dbraw/zinc/04/84/98/1066048498.db2.gz IXEUNOYRPWZMGC-HXUWFJFHSA-N 1 0 486.661 4.794 20 0 JJADRO Cc1nc(CCn2c(CC(C)C)nnc2N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)sc1C ZINC001360898780 1066051776 /nfs/dbraw/zinc/05/17/76/1066051776.db2.gz CPAWYIMWNUQXTB-QHCPKHFHSA-N 1 0 466.699 4.751 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2c[nH]nc2-c2ccccc2Cl)cc1 ZINC001441593344 1066052332 /nfs/dbraw/zinc/05/23/32/1066052332.db2.gz RWIRLLCXGGIKKF-UHFFFAOYSA-N 1 0 451.958 4.797 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001441639391 1066056701 /nfs/dbraw/zinc/05/67/01/1066056701.db2.gz GTOVOFFLGQWXFD-GGAORHGYSA-N 1 0 457.659 4.749 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1 ZINC001545943566 1066057509 /nfs/dbraw/zinc/05/75/09/1066057509.db2.gz HYBJEYBOUMONKT-CEXWTWQISA-N 1 0 459.612 4.572 20 0 JJADRO O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)ccc1F ZINC001441712573 1066063918 /nfs/dbraw/zinc/06/39/18/1066063918.db2.gz VAXNTJRQXNTJTH-HSZRJFAPSA-N 1 0 459.565 4.900 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C(F)(F)F ZINC001360909436 1066065658 /nfs/dbraw/zinc/06/56/58/1066065658.db2.gz RZZYMLLKCLQYSX-FQEVSTJZSA-N 1 0 456.512 4.794 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)C[NH+](C)C ZINC001360910591 1066067111 /nfs/dbraw/zinc/06/71/11/1066067111.db2.gz KJGZUKBWKVIJIN-HDICACEKSA-N 1 0 468.671 4.578 20 0 JJADRO Cc1n[nH]cc1CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360911654 1066068721 /nfs/dbraw/zinc/06/87/21/1066068721.db2.gz SIYGZTNUHFGCHY-UHFFFAOYSA-N 1 0 470.065 4.821 20 0 JJADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1(c2ccccc2Br)CCCCC1 ZINC001441816769 1066072841 /nfs/dbraw/zinc/07/28/41/1066072841.db2.gz NBKBXMBTUKXXCI-UHFFFAOYSA-N 1 0 456.428 4.827 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001441824651 1066074536 /nfs/dbraw/zinc/07/45/36/1066074536.db2.gz USPMNCANTZAOKS-RTWAWAEBSA-N 1 0 464.050 4.670 20 0 JJADRO Cc1ccsc1CCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001360920004 1066075602 /nfs/dbraw/zinc/07/56/02/1066075602.db2.gz JMKFBMCADZHUDA-UHFFFAOYSA-N 1 0 474.472 4.851 20 0 JJADRO COc1cc([C@@H](C)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1OCc1ccccc1 ZINC001441864971 1066075672 /nfs/dbraw/zinc/07/56/72/1066075672.db2.gz LYWYOPFRDYKQJC-XXBNENTESA-N 1 0 454.636 4.669 20 0 JJADRO COc1cc([C@@H](C)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1OCc1ccccc1 ZINC001441864956 1066075781 /nfs/dbraw/zinc/07/57/81/1066075781.db2.gz LYWYOPFRDYKQJC-AUSIDOKSSA-N 1 0 454.636 4.669 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)Cc1cccc(OCC(F)(F)F)c1)[NH+]1CCCCC1 ZINC001441890748 1066079053 /nfs/dbraw/zinc/07/90/53/1066079053.db2.gz WDHVUNJFHJXHRE-NRFANRHFSA-N 1 0 450.501 4.522 20 0 JJADRO Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cnn1C ZINC001360929607 1066085616 /nfs/dbraw/zinc/08/56/16/1066085616.db2.gz KKADBRZBGROJSO-YADHBBJMSA-N 1 0 497.663 4.604 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC001442016918 1066085836 /nfs/dbraw/zinc/08/58/36/1066085836.db2.gz IHKSEADQIXOPNF-DEOSSOPVSA-N 1 0 457.659 4.627 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)c2ccccc2)CC1 ZINC001442062409 1066088604 /nfs/dbraw/zinc/08/86/04/1066088604.db2.gz LTOMFMHPTWVMCV-IFMALSPDSA-N 1 0 457.412 4.905 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001442071316 1066089694 /nfs/dbraw/zinc/08/96/94/1066089694.db2.gz JKXUJJPEJJYDSX-PKTZIBPZSA-N 1 0 455.643 4.613 20 0 JJADRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)([NH+](C)C)C1 ZINC001442076874 1066090068 /nfs/dbraw/zinc/09/00/68/1066090068.db2.gz BGJIPGIFKMKVAP-QVKFZJNVSA-N 1 0 456.940 4.844 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[N@@H+](C)C(C)C ZINC001360933175 1066091035 /nfs/dbraw/zinc/09/10/35/1066091035.db2.gz XCANNJUSVDOMEX-UHFFFAOYSA-N 1 0 495.466 4.978 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC[N@@H+]1C ZINC001360933637 1066091719 /nfs/dbraw/zinc/09/17/19/1066091719.db2.gz LAAPWZJNYHRADA-NVXWUHKLSA-N 1 0 453.384 4.614 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001360934521 1066092411 /nfs/dbraw/zinc/09/24/11/1066092411.db2.gz BZZOUAVXQZRQQY-NRFANRHFSA-N 1 0 450.974 4.834 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCCC2)cnn1C ZINC001360934536 1066092497 /nfs/dbraw/zinc/09/24/97/1066092497.db2.gz CJGOJDQTRPUYDJ-HXUWFJFHSA-N 1 0 463.674 4.653 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360944903 1066099890 /nfs/dbraw/zinc/09/98/90/1066099890.db2.gz NMQJQDKUKYGSMB-NRFANRHFSA-N 1 0 453.587 4.910 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001360947048 1066101945 /nfs/dbraw/zinc/10/19/45/1066101945.db2.gz WZHTXBZIMUPOLD-FQEVSTJZSA-N 1 0 452.653 4.635 20 0 JJADRO Cc1occc1CN(C)c1nnc(CCOc2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001360947556 1066102374 /nfs/dbraw/zinc/10/23/74/1066102374.db2.gz PWGZENDXAXQHAV-NRFANRHFSA-N 1 0 465.642 4.948 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001360949449 1066104822 /nfs/dbraw/zinc/10/48/22/1066104822.db2.gz HFVKQBNFGBUGCP-OALUTQOASA-N 1 0 486.661 4.766 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001360949662 1066106303 /nfs/dbraw/zinc/10/63/03/1066106303.db2.gz OHFSITDWLXDTJY-LJQANCHMSA-N 1 0 472.634 4.518 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C1 ZINC001442253948 1066109046 /nfs/dbraw/zinc/10/90/46/1066109046.db2.gz LRSPFFRYNINVAR-IAGOWNOFSA-N 1 0 455.603 4.621 20 0 JJADRO O=C(c1csc([C@H]2CCCO2)n1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360952198 1066109220 /nfs/dbraw/zinc/10/92/20/1066109220.db2.gz YPVNCGBXVRNFNC-PKOBYXMFSA-N 1 0 453.530 4.521 20 0 JJADRO COc1cc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc(OC)c1C ZINC001360951986 1066109265 /nfs/dbraw/zinc/10/92/65/1066109265.db2.gz QNIXFVRTJFYOAO-IBGZPJMESA-N 1 0 450.501 4.539 20 0 JJADRO C[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442264363 1066110201 /nfs/dbraw/zinc/11/02/01/1066110201.db2.gz MOPHDNDEEOBCCE-JVODISISSA-N 1 0 451.611 4.840 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCN(CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442266302 1066110653 /nfs/dbraw/zinc/11/06/53/1066110653.db2.gz VGEWGFUFWVHLPF-OAQYLSRUSA-N 1 0 453.574 4.537 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCN(CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442266300 1066110763 /nfs/dbraw/zinc/11/07/63/1066110763.db2.gz VGEWGFUFWVHLPF-NRFANRHFSA-N 1 0 453.574 4.537 20 0 JJADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C(C)(C)c1ccccc1Br)c1ccccc1O2 ZINC001442314398 1066115808 /nfs/dbraw/zinc/11/58/08/1066115808.db2.gz UTSZQSOSWWIUDV-HXUWFJFHSA-N 1 0 457.412 4.831 20 0 JJADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442331406 1066116998 /nfs/dbraw/zinc/11/69/98/1066116998.db2.gz RSMWDGMYUYIUGT-PMACEKPBSA-N 1 0 451.014 4.972 20 0 JJADRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001442333376 1066117006 /nfs/dbraw/zinc/11/70/06/1066117006.db2.gz TYMILXKQDOPZTR-UHFFFAOYSA-N 1 0 456.512 4.766 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(Br)cccc2cn1 ZINC001360961118 1066120712 /nfs/dbraw/zinc/12/07/12/1066120712.db2.gz AQLGIZQVODFALN-IBGZPJMESA-N 1 0 452.396 4.982 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOc1ccc(C)cc1Br ZINC001360961976 1066121169 /nfs/dbraw/zinc/12/11/69/1066121169.db2.gz WBDOQDDGRQBYSH-OAQYLSRUSA-N 1 0 459.428 4.897 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2ccc(COc3cccc(Br)c3)o2)[NH+](C)C)cc1 ZINC001442470613 1066128459 /nfs/dbraw/zinc/12/84/59/1066128459.db2.gz FUAWLIZFFNDZDJ-NRFANRHFSA-N 1 0 457.368 4.962 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2cccnc2Oc2ccc(Br)cc2)[NH+](C)C)cc1 ZINC001442475850 1066130381 /nfs/dbraw/zinc/13/03/81/1066130381.db2.gz NXQAGEKZPGRAGS-NRFANRHFSA-N 1 0 454.368 4.978 20 0 JJADRO Cc1ccsc1Cn1c(COc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360977160 1066134250 /nfs/dbraw/zinc/13/42/50/1066134250.db2.gz GVFLVQMKDQGCCM-UHFFFAOYSA-N 1 0 471.646 4.973 20 0 JJADRO Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC001442548479 1066135825 /nfs/dbraw/zinc/13/58/25/1066135825.db2.gz ADDQALIBRWGLLH-JOCHJYFZSA-N 1 0 455.624 4.748 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC001442548422 1066135839 /nfs/dbraw/zinc/13/58/39/1066135839.db2.gz QZRGZYXAAWUTST-FQEVSTJZSA-N 1 0 459.565 4.690 20 0 JJADRO Cc1c(Cl)cccc1Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360981214 1066139433 /nfs/dbraw/zinc/13/94/33/1066139433.db2.gz LXJWLCFKCJRITL-UHFFFAOYSA-N 1 0 455.050 4.852 20 0 JJADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc2c(cncc2Br)s1 ZINC001442572369 1066139657 /nfs/dbraw/zinc/13/96/57/1066139657.db2.gz FOQBGQFLDFRGKH-UHFFFAOYSA-N 1 0 450.427 4.762 20 0 JJADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CCOc3ccc(Cl)cc3Br)C2)CC1 ZINC001442575273 1066140295 /nfs/dbraw/zinc/14/02/95/1066140295.db2.gz VKYIDAVWBXEEAS-QGZVFWFLSA-N 1 0 457.840 4.842 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[NH+]2CCCC2)cc1 ZINC001442596346 1066142821 /nfs/dbraw/zinc/14/28/21/1066142821.db2.gz WCISGDZLIUBFOA-DEOSSOPVSA-N 1 0 451.611 4.629 20 0 JJADRO CC[C@@H](C)c1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545950379 1066143130 /nfs/dbraw/zinc/14/31/30/1066143130.db2.gz PKANYMWFQJRUIR-MZYLBHOOSA-N 1 0 484.689 4.806 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)(C)C)n1CCCCC[NH+]1CCCC1 ZINC001360984382 1066146156 /nfs/dbraw/zinc/14/61/56/1066146156.db2.gz VAHJPOVCTSCRSS-UHFFFAOYSA-N 1 0 454.663 4.533 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccnc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001360985595 1066148545 /nfs/dbraw/zinc/14/85/45/1066148545.db2.gz GNPSZXDRFDTWMA-PIIWDFAUSA-N 1 0 489.668 4.542 20 0 JJADRO CN1CCC([NH+]2CCC(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCCC3)CC2)CC1 ZINC001442660952 1066148903 /nfs/dbraw/zinc/14/89/03/1066148903.db2.gz GRKOTAIRMXWGBR-UHFFFAOYSA-N 1 0 451.577 4.582 20 0 JJADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cc2cccc(OCCCOc3ccccc3)c2)C1 ZINC001442672289 1066150629 /nfs/dbraw/zinc/15/06/29/1066150629.db2.gz VWWRXAFXZGSFLZ-GIFXNVAJSA-N 1 0 450.623 4.941 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CC(F)C2)n1CC[NH+]1CCSCC1 ZINC001360986314 1066150892 /nfs/dbraw/zinc/15/08/92/1066150892.db2.gz AMDFWOHTALPAEG-JSOIOWGOSA-N 1 0 496.096 4.921 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(F)(F)F)n1CC[NH+]1CCCC1 ZINC001360986559 1066152629 /nfs/dbraw/zinc/15/26/29/1066152629.db2.gz GUISPCYOQMONEE-INIZCTEOSA-N 1 0 459.944 4.783 20 0 JJADRO CC[C@H](Cn1c(C(C)C)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545950958 1066153113 /nfs/dbraw/zinc/15/31/13/1066153113.db2.gz ZGFMDXFJAAFRJB-FTBPSBKWSA-N 1 0 453.675 4.880 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(F)cc(C(=O)OC)c1 ZINC001442717115 1066154850 /nfs/dbraw/zinc/15/48/50/1066154850.db2.gz CLAIRMKDZADGPL-UHFFFAOYSA-N 1 0 455.357 4.903 20 0 JJADRO Cc1ccc2[nH]c(C(=O)N(CC[NH+](C)C)Cc3ccc(F)c(F)c3)cc2c1Br ZINC001442729311 1066156022 /nfs/dbraw/zinc/15/60/22/1066156022.db2.gz RLJQOOUNOFEQRB-UHFFFAOYSA-N 1 0 450.327 4.721 20 0 JJADRO O=C(c1cc(-c2ccccc2O)n[nH]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001442732062 1066156399 /nfs/dbraw/zinc/15/63/99/1066156399.db2.gz WFPCYPVDLDNQBE-UHFFFAOYSA-N 1 0 459.377 4.827 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCOC2)n1CC[NH+]1CCC(C)CC1 ZINC001360987244 1066157998 /nfs/dbraw/zinc/15/79/98/1066157998.db2.gz VXPQDSDYYNXGAU-FGZHOGPDSA-N 1 0 490.092 4.893 20 0 JJADRO CC[NH+](CC)CCn1c(NC(=O)c2cc3c(cccc3Br)[nH]2)nc2ccccc21 ZINC001442762215 1066158282 /nfs/dbraw/zinc/15/82/82/1066158282.db2.gz JRFSTDISMBGVJL-UHFFFAOYSA-N 1 0 454.372 4.874 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001360989453 1066161325 /nfs/dbraw/zinc/16/13/25/1066161325.db2.gz FMUNLKNJWVGKMD-IFMALSPDSA-N 1 0 476.065 4.525 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CCCO)CC2)n1C[C@@H](C)[NH+](C)C ZINC001360989624 1066162457 /nfs/dbraw/zinc/16/24/57/1066162457.db2.gz HXEHELJLEQUZGH-UXHICEINSA-N 1 0 478.081 4.627 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360992500 1066171801 /nfs/dbraw/zinc/17/18/01/1066171801.db2.gz OWISGHXYVOOUSC-IOMROCGXSA-N 1 0 476.065 4.645 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC(C)(C)O ZINC001360992518 1066172058 /nfs/dbraw/zinc/17/20/58/1066172058.db2.gz PCKYVIZDQDGXQM-IBGZPJMESA-N 1 0 478.081 4.770 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSC[C@@H]2C)n1CC[N@@H+](C)C(C)C ZINC001360992903 1066172526 /nfs/dbraw/zinc/17/25/26/1066172526.db2.gz VYNNYVAOGVQITH-OALUTQOASA-N 1 0 466.095 4.970 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360992799 1066172547 /nfs/dbraw/zinc/17/25/47/1066172547.db2.gz UWMYRZDGSMMLDH-UZINWLIJSA-N 1 0 490.092 4.770 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSC[C@H]2C)n1CC[N@@H+](C)C(C)C ZINC001360992902 1066172565 /nfs/dbraw/zinc/17/25/65/1066172565.db2.gz VYNNYVAOGVQITH-MOPGFXCFSA-N 1 0 466.095 4.970 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC[C@H]1CCOC1 ZINC001360992950 1066172652 /nfs/dbraw/zinc/17/26/52/1066172652.db2.gz WVCUBJCPXOMZFC-RTWAWAEBSA-N 1 0 476.065 4.645 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@@H]1c1cccs1 ZINC001360996849 1066175470 /nfs/dbraw/zinc/17/54/70/1066175470.db2.gz VDEKASGRTOSNGT-FOIQADDNSA-N 1 0 459.413 4.509 20 0 JJADRO Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)o1 ZINC001360997208 1066175691 /nfs/dbraw/zinc/17/56/91/1066175691.db2.gz CMNSLXCTXRHEIR-MUUNZHRXSA-N 1 0 479.669 4.867 20 0 JJADRO Cc1cc([C@](C)(O)Cn2c(-c3ccccc3Cl)nnc2N2CCC([NH2+]C(C)C)CC2)c(C)o1 ZINC001360999064 1066177975 /nfs/dbraw/zinc/17/79/75/1066177975.db2.gz JREYBQPVMYEDFZ-RUZDIDTESA-N 1 0 472.033 4.683 20 0 JJADRO Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001361008372 1066189320 /nfs/dbraw/zinc/18/93/20/1066189320.db2.gz LLRPBPQDGKOWIA-LJQANCHMSA-N 1 0 479.591 4.542 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C[NH+](C)C)c(C)c1 ZINC001361011753 1066195518 /nfs/dbraw/zinc/19/55/18/1066195518.db2.gz CEQLZPKRRWYQQJ-UHFFFAOYSA-N 1 0 498.075 4.581 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC001361014184 1066200197 /nfs/dbraw/zinc/20/01/97/1066200197.db2.gz JFUPZTOLGLYYOC-IBGZPJMESA-N 1 0 466.674 4.668 20 0 JJADRO Cc1cc(C)cc(CCn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001361017360 1066206201 /nfs/dbraw/zinc/20/62/01/1066206201.db2.gz QWWJOQGHBLWHRX-XMMPIXPASA-N 1 0 453.675 4.590 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361018849 1066208673 /nfs/dbraw/zinc/20/86/73/1066208673.db2.gz UEAXRETTXQXOPY-NBGIEHNGSA-N 1 0 469.655 4.702 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001361020750 1066211065 /nfs/dbraw/zinc/21/10/65/1066211065.db2.gz GJFAABXUTATGHX-QFIPXVFZSA-N 1 0 482.698 4.996 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361020975 1066212448 /nfs/dbraw/zinc/21/24/48/1066212448.db2.gz OUECCCCAVBSBQC-OAQYLSRUSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001361021143 1066213780 /nfs/dbraw/zinc/21/37/80/1066213780.db2.gz RGGMZKUCAWACRB-XMMPIXPASA-N 1 0 480.657 4.836 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361021174 1066213891 /nfs/dbraw/zinc/21/38/91/1066213891.db2.gz SGUVNFJJMUTEJV-NQIIRXRSSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361022270 1066217401 /nfs/dbraw/zinc/21/74/01/1066217401.db2.gz KYSPQZLJGOKVKS-RPWUZVMVSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CCC(C)C)n2CC2([NH+]3CCCC3)CCOCC2)c1 ZINC001361022524 1066217940 /nfs/dbraw/zinc/21/79/40/1066217940.db2.gz TWBGITQLBGOFQC-UHFFFAOYSA-N 1 0 469.674 4.601 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(CC(C)C)C(C)C)n2CC2([NH+]3CCCC3)CCOCC2)c1 ZINC001361023908 1066220541 /nfs/dbraw/zinc/22/05/41/1066220541.db2.gz FSFQSQLIMHZTOR-UHFFFAOYSA-N 1 0 483.701 4.990 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC(C)C)CC1)[NH+]1CCCC1 ZINC001545951841 1066222797 /nfs/dbraw/zinc/22/27/97/1066222797.db2.gz CWSDVGSQIUZEDZ-RBBKRZOGSA-N 1 0 473.637 4.825 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1)OC ZINC001545951986 1066223274 /nfs/dbraw/zinc/22/32/74/1066223274.db2.gz GCZIRZCIXZWWLZ-LADGPHEKSA-N 1 0 469.674 4.915 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)O1 ZINC001546056916 1066229958 /nfs/dbraw/zinc/22/99/58/1066229958.db2.gz LJJIOXVZZRMOBV-WIOPSUGQSA-N 1 0 474.719 4.538 20 0 JJADRO C[C@@]1(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC(c2cccc(Cl)c2F)=NO1 ZINC001442837712 1066229822 /nfs/dbraw/zinc/22/98/22/1066229822.db2.gz GKJDUFTZTQDIGX-VWLOTQADSA-N 1 0 457.977 4.529 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001361027768 1066230466 /nfs/dbraw/zinc/23/04/66/1066230466.db2.gz CPARSHHMRSKATC-IRLDBZIGSA-N 1 0 495.590 4.506 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361028425 1066233180 /nfs/dbraw/zinc/23/31/80/1066233180.db2.gz IJSASTXNRLFLLC-UHFFFAOYSA-N 1 0 465.564 4.903 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001361028821 1066234722 /nfs/dbraw/zinc/23/47/22/1066234722.db2.gz RZQYSZWXXYWMPR-OYRHEFFESA-N 1 0 457.688 4.679 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361028690 1066234737 /nfs/dbraw/zinc/23/47/37/1066234737.db2.gz ONMAZIQLZBTWAZ-WRALFONMSA-N 1 0 469.674 4.598 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)OC ZINC001545952571 1066237767 /nfs/dbraw/zinc/23/77/67/1066237767.db2.gz MICAIASLKNIFIL-XPWALMASSA-N 1 0 455.647 4.525 20 0 JJADRO CC[C@@H]1CN(C(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)C[C@H](C)[NH2+]1 ZINC001454049794 1066240911 /nfs/dbraw/zinc/24/09/11/1066240911.db2.gz DEVOPCCMQPRIGD-SWLSCSKDSA-N 1 0 474.449 4.611 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001361031509 1066242164 /nfs/dbraw/zinc/24/21/64/1066242164.db2.gz UBZWYJFUUJLLES-GHTZIAJQSA-N 1 0 479.591 4.985 20 0 JJADRO CCN1CCC([NH+]2CCC(C(=O)N(Cc3cccc(C(F)(F)F)c3)CC(C)C)CC2)CC1 ZINC001454066867 1066242629 /nfs/dbraw/zinc/24/26/29/1066242629.db2.gz XYAQHJZGJMQRAH-UHFFFAOYSA-N 1 0 453.593 4.886 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001361031950 1066244140 /nfs/dbraw/zinc/24/41/40/1066244140.db2.gz GKWCKJODEQDMMO-FPOVZHCZSA-N 1 0 495.590 4.504 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001545952903 1066246282 /nfs/dbraw/zinc/24/62/82/1066246282.db2.gz QMGOQSDXDOTJJL-FXAWDEMLSA-N 1 0 465.564 4.913 20 0 JJADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1OCc1ccccc1Br ZINC001454129699 1066248619 /nfs/dbraw/zinc/24/86/19/1066248619.db2.gz FHIBCTNFKCWNOH-IBGZPJMESA-N 1 0 457.412 4.880 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001454132733 1066249391 /nfs/dbraw/zinc/24/93/91/1066249391.db2.gz WYNQVCQEHRIRDH-BTYIYWSLSA-N 1 0 451.442 4.917 20 0 JJADRO Cc1nc(C)c(CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)s1 ZINC001361035107 1066252237 /nfs/dbraw/zinc/25/22/37/1066252237.db2.gz QKUDDPWMCKDHAA-UHFFFAOYSA-N 1 0 482.698 4.710 20 0 JJADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC001443016673 1066254217 /nfs/dbraw/zinc/25/42/17/1066254217.db2.gz QZFNNLOFPFJTPQ-SFTDATJTSA-N 1 0 456.030 4.550 20 0 JJADRO Cc1ccsc1CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001361035522 1066254490 /nfs/dbraw/zinc/25/44/90/1066254490.db2.gz FHNJYZZDBTXZLV-UHFFFAOYSA-N 1 0 467.683 4.865 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CCc4cccs4)CC3)n2CCC(C)(F)F)c1 ZINC001361035528 1066254532 /nfs/dbraw/zinc/25/45/32/1066254532.db2.gz FJGVKRVPBNARMT-UHFFFAOYSA-N 1 0 489.636 4.945 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](c4ccco4)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361038660 1066257652 /nfs/dbraw/zinc/25/76/52/1066257652.db2.gz LZRBNMPQCNWKSA-RUZDIDTESA-N 1 0 481.641 4.764 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)C3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361038997 1066258911 /nfs/dbraw/zinc/25/89/11/1066258911.db2.gz VELTUUCNBJNXCY-ZEQRLZLVSA-N 1 0 483.701 4.847 20 0 JJADRO O=C(c1ccc(-c2ccc(Br)cc2)s1)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001454261009 1066259104 /nfs/dbraw/zinc/25/91/04/1066259104.db2.gz ORPRDRQECBPLSC-LJQANCHMSA-N 1 0 459.384 4.973 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001361039639 1066261773 /nfs/dbraw/zinc/26/17/73/1066261773.db2.gz OULJSPNBFWSPBV-PZJWPPBQSA-N 1 0 471.696 4.780 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361039776 1066262385 /nfs/dbraw/zinc/26/23/85/1066262385.db2.gz UCGLHICMLSPIFM-SZPZYZBQSA-N 1 0 471.715 4.784 20 0 JJADRO CCOc1cc(/C=C\C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)ccc1O ZINC001443084522 1066263218 /nfs/dbraw/zinc/26/32/18/1066263218.db2.gz AZMOLKPEEACEQX-DHDCSXOGSA-N 1 0 451.567 4.647 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001443103969 1066269541 /nfs/dbraw/zinc/26/95/41/1066269541.db2.gz OJLCWPOPBJAEIS-QHCPKHFHSA-N 1 0 457.659 4.784 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001443109678 1066270364 /nfs/dbraw/zinc/27/03/64/1066270364.db2.gz VADZLDKLTNBUGT-KCWPFWIISA-N 1 0 457.659 4.831 20 0 JJADRO CCOCCCn1c2ccccc2nc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001443124900 1066271015 /nfs/dbraw/zinc/27/10/15/1066271015.db2.gz LFWRWHWECJVHSJ-FQEVSTJZSA-N 1 0 456.537 4.559 20 0 JJADRO Cc1cc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@H](C)[NH+](C)C)c2ccccc2n1 ZINC001361045900 1066272571 /nfs/dbraw/zinc/27/25/71/1066272571.db2.gz NOPYMQQDZHVUFQ-HNNXBMFYSA-N 1 0 489.571 4.864 20 0 JJADRO Cc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001361046091 1066273757 /nfs/dbraw/zinc/27/37/57/1066273757.db2.gz VFOZDIRGQIKMPD-AEFFLSMTSA-N 1 0 460.548 4.921 20 0 JJADRO C[NH+](C)CCCN(C(=O)Cc1ccc(-n2ccnc2)cc1)C(c1ccccc1)c1ccccc1 ZINC001443159102 1066275028 /nfs/dbraw/zinc/27/50/28/1066275028.db2.gz XMIQDHLJWLSHOC-UHFFFAOYSA-N 1 0 452.602 4.985 20 0 JJADRO Cc1cc(NC(=O)C[N@H+](C)CCc2ccccc2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC001443200607 1066279238 /nfs/dbraw/zinc/27/92/38/1066279238.db2.gz DXYYKEGQPKOQQP-UHFFFAOYSA-N 1 0 450.892 4.966 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001454407792 1066279916 /nfs/dbraw/zinc/27/99/16/1066279916.db2.gz RQTMLKIBLDVNBU-LIRRHRJNSA-N 1 0 451.792 4.752 20 0 JJADRO Cc1cc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCCOC(C)C)c2ccccc2n1 ZINC001361049430 1066281884 /nfs/dbraw/zinc/28/18/84/1066281884.db2.gz DHORBSRTBWWYPX-UHFFFAOYSA-N 1 0 464.658 4.785 20 0 JJADRO Cc1cc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361050318 1066285037 /nfs/dbraw/zinc/28/50/37/1066285037.db2.gz XNXPREHFVFHLBP-HHHXNRCGSA-N 1 0 464.658 4.519 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC001443270937 1066288564 /nfs/dbraw/zinc/28/85/64/1066288564.db2.gz ZTYQZCRNXVRERI-IBGZPJMESA-N 1 0 453.530 4.750 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1F)[NH+]1CCCC1 ZINC001545956394 1066288640 /nfs/dbraw/zinc/28/86/40/1066288640.db2.gz BTKFZHURLKXSHR-IBGZPJMESA-N 1 0 489.437 4.696 20 0 JJADRO Cc1cccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001361054772 1066291606 /nfs/dbraw/zinc/29/16/06/1066291606.db2.gz FLXSGLABAFNTJR-UHFFFAOYSA-N 1 0 471.447 4.855 20 0 JJADRO Cc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361056071 1066295103 /nfs/dbraw/zinc/29/51/03/1066295103.db2.gz BEDVADRUWSKIKA-PMACEKPBSA-N 1 0 483.060 4.826 20 0 JJADRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)ccc2NC1=O ZINC001361056714 1066296959 /nfs/dbraw/zinc/29/69/59/1066296959.db2.gz AEOSHHQPFPHXHK-JECRDHHXSA-N 1 0 463.622 4.768 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1)c1cccc(C(F)(F)F)c1 ZINC001454540296 1066298037 /nfs/dbraw/zinc/29/80/37/1066298037.db2.gz RJWIVRPGBYLWAC-AWEZNQCLSA-N 1 0 458.506 4.542 20 0 JJADRO COc1cc(Br)cc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC001443352461 1066298637 /nfs/dbraw/zinc/29/86/37/1066298637.db2.gz DBBUGHSUGDPMEQ-UHFFFAOYSA-N 1 0 459.428 4.922 20 0 JJADRO O=C(COc1cccc(Br)c1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001443356878 1066299703 /nfs/dbraw/zinc/29/97/03/1066299703.db2.gz LDWHVZXESONOTK-UHFFFAOYSA-N 1 0 459.428 4.679 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(CCC(C)C)C1CC1)[NH+]1CCCC1 ZINC001545957458 1066301833 /nfs/dbraw/zinc/30/18/33/1066301833.db2.gz WNLQZPCLYSXOLY-IBGZPJMESA-N 1 0 477.495 4.935 20 0 JJADRO Cc1cc(CN(C)c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)no1 ZINC001361063095 1066302187 /nfs/dbraw/zinc/30/21/87/1066302187.db2.gz DXLWVTLARNYOTK-HXUWFJFHSA-N 1 0 450.631 4.622 20 0 JJADRO Cc1cc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC001361063206 1066302227 /nfs/dbraw/zinc/30/22/27/1066302227.db2.gz GJCNTOKPOAIJLT-QZTJIDSGSA-N 1 0 456.660 4.620 20 0 JJADRO Cc1cc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)no1 ZINC001361063521 1066302647 /nfs/dbraw/zinc/30/26/47/1066302647.db2.gz LNYPYDIJBUGKHT-OAQYLSRUSA-N 1 0 471.030 4.820 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)c(Cl)c1 ZINC001454573468 1066303111 /nfs/dbraw/zinc/30/31/11/1066303111.db2.gz DSGFDXOSUPKPCR-JCGIZDLHSA-N 1 0 458.430 4.652 20 0 JJADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cc3sc(Nc4ccccc4)nc3s2)c1 ZINC001443389303 1066304530 /nfs/dbraw/zinc/30/45/30/1066304530.db2.gz OHOHZBPIDIZVKJ-UHFFFAOYSA-N 1 0 452.605 4.972 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)no1 ZINC001361066926 1066307593 /nfs/dbraw/zinc/30/75/93/1066307593.db2.gz XWJUIHUMVNHGTQ-SMXKYELJSA-N 1 0 472.678 4.640 20 0 JJADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001443427794 1066310173 /nfs/dbraw/zinc/31/01/73/1066310173.db2.gz MDPMLJJCKJDJTG-UHFFFAOYSA-N 1 0 456.409 4.987 20 0 JJADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)CC1 ZINC001443431467 1066310959 /nfs/dbraw/zinc/31/09/59/1066310959.db2.gz PNTJYPKBCQYNLJ-UHFFFAOYSA-N 1 0 452.401 4.947 20 0 JJADRO C[NH+](C)CCC1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC001443443652 1066311937 /nfs/dbraw/zinc/31/19/37/1066311937.db2.gz JUSFQHCLUVGRIL-UHFFFAOYSA-N 1 0 458.400 4.505 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1)[NH+]1CCCC1 ZINC001545959213 1066317119 /nfs/dbraw/zinc/31/71/19/1066317119.db2.gz RUBDGCUPCAPNEE-KRWDZBQOSA-N 1 0 450.400 4.567 20 0 JJADRO CC[NH+](CC)C1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001443517467 1066322269 /nfs/dbraw/zinc/32/22/69/1066322269.db2.gz KRUFKOXLSNMYEI-XMSQKQJNSA-N 1 0 452.014 4.500 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H]2CCSC2)n1CC[N@H+]1CCC[C@H]1C ZINC001361087302 1066326290 /nfs/dbraw/zinc/32/62/90/1066326290.db2.gz GHAFGVUJAFWPLR-CTNGQTDRSA-N 1 0 478.106 4.678 20 0 JJADRO CC1(C)CN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001443550286 1066328601 /nfs/dbraw/zinc/32/86/01/1066328601.db2.gz LMTIXIUSOSLUFX-UHFFFAOYSA-N 1 0 456.512 4.687 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)C2)n1CC[N@H+]1CC=CCC1 ZINC001361088104 1066329403 /nfs/dbraw/zinc/32/94/03/1066329403.db2.gz FTNDZOHLLNSJJR-HXUWFJFHSA-N 1 0 458.050 4.750 20 0 JJADRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2ccc(Br)cc2Br)CC1 ZINC001454741032 1066330008 /nfs/dbraw/zinc/33/00/08/1066330008.db2.gz DGMIIKOXAXWSSO-INIZCTEOSA-N 1 0 458.238 4.938 20 0 JJADRO CCCN(CC)C(=O)c1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC001443579238 1066331181 /nfs/dbraw/zinc/33/11/81/1066331181.db2.gz LNDGQLHEBAMVMZ-UHFFFAOYSA-N 1 0 456.030 4.854 20 0 JJADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@]3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)c2C1 ZINC001546065158 1066331937 /nfs/dbraw/zinc/33/19/37/1066331937.db2.gz GKGHAEFJTWXCOX-QFIPXVFZSA-N 1 0 455.521 4.786 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCSC(C)(C)C1)[NH+]1CCCC1 ZINC001545960295 1066332483 /nfs/dbraw/zinc/33/24/83/1066332483.db2.gz AIHYKDAZAPSFOS-IBGZPJMESA-N 1 0 478.504 4.914 20 0 JJADRO CC(C)(C)OC(=O)/C=C/c1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)co1 ZINC001443583529 1066332678 /nfs/dbraw/zinc/33/26/78/1066332678.db2.gz WPWAWHXHPKUDRL-CMDGGOBGSA-N 1 0 458.986 4.930 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001361088997 1066333866 /nfs/dbraw/zinc/33/38/66/1066333866.db2.gz OPHAKLIKNWJTSC-AZUAARDMSA-N 1 0 460.066 4.971 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001361089227 1066334790 /nfs/dbraw/zinc/33/47/90/1066334790.db2.gz QXDVCRCMDLOGDE-UHFFFAOYSA-N 1 0 460.066 4.972 20 0 JJADRO O=C(Cc1csc(-c2sccc2Br)n1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001361089752 1066337866 /nfs/dbraw/zinc/33/78/66/1066337866.db2.gz BOXKSTROFHLEQQ-AWEZNQCLSA-N 1 0 454.459 4.557 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001361090091 1066337924 /nfs/dbraw/zinc/33/79/24/1066337924.db2.gz AIFXEOKHSXRVIS-ILWGZMRPSA-N 1 0 490.092 4.597 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001546066093 1066339301 /nfs/dbraw/zinc/33/93/01/1066339301.db2.gz GTOABWWCIJIQQM-BCHFMIIMSA-N 1 0 455.647 4.850 20 0 JJADRO CSCc1c2ccccc2oc1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443633813 1066341577 /nfs/dbraw/zinc/34/15/77/1066341577.db2.gz NUGDIHGRASWYOS-UHFFFAOYSA-N 1 0 458.027 4.891 20 0 JJADRO Cc1ccc2nc(COc3cccc(C(=O)NCc4cccc(C[N@@H+](C)C(C)C)c4)c3)cn2c1 ZINC001443638962 1066342747 /nfs/dbraw/zinc/34/27/47/1066342747.db2.gz CXVOMCYQXFIBEG-UHFFFAOYSA-N 1 0 456.590 4.992 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001546066627 1066343554 /nfs/dbraw/zinc/34/35/54/1066343554.db2.gz RMYPJSDRFUMKFU-VWLOTQADSA-N 1 0 455.647 4.853 20 0 JJADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001443649514 1066344577 /nfs/dbraw/zinc/34/45/77/1066344577.db2.gz ZZTFTLRGCCYBFM-UHFFFAOYSA-N 1 0 457.640 4.812 20 0 JJADRO C[NH+](C)CCCOc1ccc(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cc1 ZINC001443706876 1066355511 /nfs/dbraw/zinc/35/55/11/1066355511.db2.gz CGPUMKKUVIHUCN-UHFFFAOYSA-N 1 0 457.933 4.712 20 0 JJADRO C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001443723057 1066357053 /nfs/dbraw/zinc/35/70/53/1066357053.db2.gz BLDFXODKDUXEEC-RTWAWAEBSA-N 1 0 455.593 4.513 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001546068603 1066359860 /nfs/dbraw/zinc/35/98/60/1066359860.db2.gz SILLYVGBILBSJQ-YADARESESA-N 1 0 490.490 4.691 20 0 JJADRO Cc1cccc(OCCN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361112021 1066362835 /nfs/dbraw/zinc/36/28/35/1066362835.db2.gz JNCJWIQSPHQJMQ-QFIPXVFZSA-N 1 0 462.642 4.674 20 0 JJADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC001443765450 1066363689 /nfs/dbraw/zinc/36/36/89/1066363689.db2.gz USVQYNRSFVVHGO-LJQANCHMSA-N 1 0 458.400 4.696 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)Oc1cccc(F)c1 ZINC001545962368 1066367940 /nfs/dbraw/zinc/36/79/40/1066367940.db2.gz BIQNLEAADXVTHR-DBXWQHBBSA-N 1 0 455.578 4.762 20 0 JJADRO CC(C)N1C(=O)C[C@H](C(=O)N(C)CCCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001455200351 1066369652 /nfs/dbraw/zinc/36/96/52/1066369652.db2.gz UYSZXJHASPWZHH-WMZHIEFXSA-N 1 0 452.014 4.502 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[NH+]1CCCC1 ZINC001545962775 1066375151 /nfs/dbraw/zinc/37/51/51/1066375151.db2.gz JYXPQHJEVULOPE-IBGZPJMESA-N 1 0 495.981 4.862 20 0 JJADRO COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001443849435 1066376322 /nfs/dbraw/zinc/37/63/22/1066376322.db2.gz MATGWGBPRRIEFU-UHFFFAOYSA-N 1 0 452.938 4.986 20 0 JJADRO Cc1cc(CSc2ccccc2C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)on1 ZINC001443863415 1066377899 /nfs/dbraw/zinc/37/78/99/1066377899.db2.gz RDLBHYGSZSODIK-UHFFFAOYSA-N 1 0 451.592 4.680 20 0 JJADRO C[C@H]([NH2+]C1(CNC(=O)COC(c2ccccc2)c2ccccc2)CCOCC1)c1ccccc1 ZINC001443918700 1066385985 /nfs/dbraw/zinc/38/59/85/1066385985.db2.gz QRFYUVMTQDWSDC-QHCPKHFHSA-N 1 0 458.602 4.809 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](COC)C1)[NH+]1CCCC1 ZINC001545963442 1066388647 /nfs/dbraw/zinc/38/86/47/1066388647.db2.gz WNPBVDWWDAPDRS-FPOVZHCZSA-N 1 0 490.490 4.753 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](COC)C1)[NH+]1CCCC1 ZINC001545963444 1066389134 /nfs/dbraw/zinc/38/91/34/1066389134.db2.gz WNPBVDWWDAPDRS-TZIWHRDSSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2CCC=CO2)c1 ZINC001361128004 1066390634 /nfs/dbraw/zinc/39/06/34/1066390634.db2.gz QSGRHROEOCCJNN-QHCPKHFHSA-N 1 0 467.658 4.902 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001361128529 1066392473 /nfs/dbraw/zinc/39/24/73/1066392473.db2.gz YNSXEDDQONGZOD-RUZDIDTESA-N 1 0 496.744 4.940 20 0 JJADRO CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461356 1066393362 /nfs/dbraw/zinc/39/33/62/1066393362.db2.gz CNHKUDLJUTZEDM-AMGIVPHBSA-N 1 0 451.630 4.764 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2cccnc2)c1 ZINC001361130481 1066395632 /nfs/dbraw/zinc/39/56/32/1066395632.db2.gz NTEMAMACJIOWOG-UHFFFAOYSA-N 1 0 476.669 4.847 20 0 JJADRO Cc1csc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[NH+](CC(C)C)CC2)n1 ZINC001361130622 1066396222 /nfs/dbraw/zinc/39/62/22/1066396222.db2.gz PIMMVEHZZZAOLF-UHFFFAOYSA-N 1 0 482.698 4.880 20 0 JJADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001455493879 1066397432 /nfs/dbraw/zinc/39/74/32/1066397432.db2.gz BSLUQSVQSAVAGJ-DENIHFKCSA-N 1 0 451.586 4.985 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001361131496 1066399395 /nfs/dbraw/zinc/39/93/95/1066399395.db2.gz JLWIOFGGTPGBDC-ZRZAMGCNSA-N 1 0 469.674 4.634 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361132186 1066401758 /nfs/dbraw/zinc/40/17/58/1066401758.db2.gz VHQLZYWCARIFBL-NBGIEHNGSA-N 1 0 489.755 4.668 20 0 JJADRO CCc1ccccc1O[C@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC001444092239 1066404796 /nfs/dbraw/zinc/40/47/96/1066404796.db2.gz WHYGRMSBIHEAEC-NDEPHWFRSA-N 1 0 458.602 4.642 20 0 JJADRO Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001361134401 1066406339 /nfs/dbraw/zinc/40/63/39/1066406339.db2.gz CUWFOHHRJMEXCY-RUZDIDTESA-N 1 0 496.700 4.815 20 0 JJADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccccn2)cc1 ZINC001444124420 1066409426 /nfs/dbraw/zinc/40/94/26/1066409426.db2.gz AACBYFLDXWZVCJ-OAQYLSRUSA-N 1 0 455.480 4.684 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1)OC ZINC001545964606 1066410985 /nfs/dbraw/zinc/41/09/85/1066410985.db2.gz HLPXYMJPMUKGJP-HSZRJFAPSA-N 1 0 483.060 4.767 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC001545964715 1066411829 /nfs/dbraw/zinc/41/18/29/1066411829.db2.gz JGXKMJLORZOBNP-QFIPXVFZSA-N 1 0 469.033 4.519 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3nnc(C(C)C)o3)C2)[NH+](C)C)cc1 ZINC001361138437 1066413662 /nfs/dbraw/zinc/41/36/62/1066413662.db2.gz AEKGNEJFAPDEAE-VXKWHMMOSA-N 1 0 495.672 4.562 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCCC2)CC1)OC ZINC001545964931 1066415706 /nfs/dbraw/zinc/41/57/06/1066415706.db2.gz MPGUPUOESYRXOR-LJQANCHMSA-N 1 0 450.002 4.617 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccsc3)CC2)[NH+](C)C)cc1 ZINC001361139814 1066416620 /nfs/dbraw/zinc/41/66/20/1066416620.db2.gz PTNZFVNNGMHTLC-DEOSSOPVSA-N 1 0 494.709 4.548 20 0 JJADRO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1NCCc1ccc(Cl)cc1 ZINC001455642733 1066417961 /nfs/dbraw/zinc/41/79/61/1066417961.db2.gz HFRKUONDSJGFEN-OFVILXPXSA-N 1 0 456.030 4.615 20 0 JJADRO Cc1ccc([C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)[NH+](C)C)cc1 ZINC001361140763 1066418697 /nfs/dbraw/zinc/41/86/97/1066418697.db2.gz GJWUTHXDNRVDRV-GOTSBHOMSA-N 1 0 482.673 4.808 20 0 JJADRO Cc1ccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2nccs2)[NH+](C)C)cc1 ZINC001361140848 1066418738 /nfs/dbraw/zinc/41/87/38/1066418738.db2.gz HPRUENGQSBUULU-MQSCRBSSSA-N 1 0 482.698 4.901 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CC[C@@H](C)C(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361140857 1066419366 /nfs/dbraw/zinc/41/93/66/1066419366.db2.gz HRWPPKOMNVOQHA-FUCNBRFFSA-N 1 0 483.701 4.802 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@@H](C)CC[C@H]3C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC001361141288 1066420014 /nfs/dbraw/zinc/42/00/14/1066420014.db2.gz MBPBIDWKLCDLJJ-YYDVJCTNSA-N 1 0 452.672 4.870 20 0 JJADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001455651666 1066420422 /nfs/dbraw/zinc/42/04/22/1066420422.db2.gz XRPODHOTSDQOKL-FQEVSTJZSA-N 1 0 451.489 4.657 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001545965306 1066420931 /nfs/dbraw/zinc/42/09/31/1066420931.db2.gz VHAYJFNHEPDVSY-FXAWDEMLSA-N 1 0 484.998 4.546 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC=C(C)C1)[NH+]1CCCC1 ZINC001545965305 1066420935 /nfs/dbraw/zinc/42/09/35/1066420935.db2.gz VFZWQOFTKQEBPX-SFHVURJKSA-N 1 0 462.411 4.878 20 0 JJADRO Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1I ZINC001444163058 1066422346 /nfs/dbraw/zinc/42/23/46/1066422346.db2.gz FJCFOLPSMUNKMO-ROUUACIJSA-N 1 0 454.396 4.635 20 0 JJADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001444164961 1066423622 /nfs/dbraw/zinc/42/36/22/1066423622.db2.gz HRVBPHNKINHPQX-ZWKOTPCHSA-N 1 0 450.649 4.536 20 0 JJADRO CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001444169406 1066424830 /nfs/dbraw/zinc/42/48/30/1066424830.db2.gz MGPGKUZVGFRYEV-NHCUHLMSSA-N 1 0 455.672 4.596 20 0 JJADRO Cc1cc(C(=O)N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)ccc1Br ZINC001455716790 1066426857 /nfs/dbraw/zinc/42/68/57/1066426857.db2.gz NMHWRGZKECXOQG-OAQYLSRUSA-N 1 0 457.412 4.701 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001361145845 1066430224 /nfs/dbraw/zinc/43/02/24/1066430224.db2.gz LAPKFHKQXVUNKZ-HSZRJFAPSA-N 1 0 482.698 4.996 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2cc(C)ccc2C)n1CC[NH+]1CCCCCC1 ZINC001361146068 1066431804 /nfs/dbraw/zinc/43/18/04/1066431804.db2.gz QOSAUGJERGXETI-UHFFFAOYSA-N 1 0 451.615 4.888 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001361148209 1066433657 /nfs/dbraw/zinc/43/36/57/1066433657.db2.gz DIYSBMGNCKZXPO-UPVQGACJSA-N 1 0 451.659 4.998 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001361148208 1066433801 /nfs/dbraw/zinc/43/38/01/1066433801.db2.gz DIYSBMGNCKZXPO-LADGPHEKSA-N 1 0 451.659 4.998 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1(C)C ZINC001455806823 1066434470 /nfs/dbraw/zinc/43/44/70/1066434470.db2.gz ZIFUNTKPEHFWMN-VXNXHJTFSA-N 1 0 469.670 4.687 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CC3CC(F)C3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001361148433 1066435339 /nfs/dbraw/zinc/43/53/39/1066435339.db2.gz KMXLUUNRYRGOBO-UVKLAMSESA-N 1 0 457.638 4.923 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001361148427 1066435381 /nfs/dbraw/zinc/43/53/81/1066435381.db2.gz KLMDTLBMZFGLGQ-IBGZPJMESA-N 1 0 461.601 4.687 20 0 JJADRO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC001455812073 1066435703 /nfs/dbraw/zinc/43/57/03/1066435703.db2.gz TYVXVZCBRXXJDV-UHFFFAOYSA-N 1 0 457.574 4.572 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CCOC(C)(C)C)n2CC2CC[NH+](C3CC3)CC2)c1 ZINC001361149027 1066438224 /nfs/dbraw/zinc/43/82/24/1066438224.db2.gz FTCXBWNDVHEUJZ-UHFFFAOYSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1NC(=O)c1ccncc1 ZINC001444298446 1066444817 /nfs/dbraw/zinc/44/48/17/1066444817.db2.gz NMXPUEHADZBNLV-QPPBQGQZSA-N 1 0 456.590 4.767 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361151903 1066444796 /nfs/dbraw/zinc/44/47/96/1066444796.db2.gz GFERXMDCRNGNNI-QFQXNSOFSA-N 1 0 471.715 4.784 20 0 JJADRO CC1([NH+]2CCCC2)CCC(NC(=O)[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC1 ZINC001455884511 1066445275 /nfs/dbraw/zinc/44/52/75/1066445275.db2.gz AUSBLGBUKUQEGO-CGVRRFLZSA-N 1 0 451.630 4.940 20 0 JJADRO O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1ccc(C[NH+]2CCCC2)cc1 ZINC001444311948 1066446085 /nfs/dbraw/zinc/44/60/85/1066446085.db2.gz TYTOKPFLGCGJPX-UHFFFAOYSA-N 1 0 458.278 4.633 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361156302 1066457996 /nfs/dbraw/zinc/45/79/96/1066457996.db2.gz SEWNOJPHAFKQFY-HUVFLSCGSA-N 1 0 469.674 4.600 20 0 JJADRO C[C@H](NC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)[C@H]1C[N@H+](C)CCN1C ZINC001444401639 1066458189 /nfs/dbraw/zinc/45/81/89/1066458189.db2.gz DIPMSLRSKNSSMW-NYSBEXSLSA-N 1 0 452.451 4.577 20 0 JJADRO C[C@@H]1[C@@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC001455953847 1066459418 /nfs/dbraw/zinc/45/94/18/1066459418.db2.gz WZBAIIZZPMICAY-ACJLOTCBSA-N 1 0 452.407 4.547 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)c1 ZINC001455956984 1066460627 /nfs/dbraw/zinc/46/06/27/1066460627.db2.gz DIBFVMRAOSSGNO-DEOSSOPVSA-N 1 0 451.611 4.767 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361158977 1066462649 /nfs/dbraw/zinc/46/26/49/1066462649.db2.gz KUILTYIKZQVUGB-FYYLOGMGSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CCCOC(C)C)c1 ZINC001361159481 1066464314 /nfs/dbraw/zinc/46/43/14/1066464314.db2.gz AOUKLRAZBHOAQY-UHFFFAOYSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1nc(CCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)oc1-c1ccccc1 ZINC001455980874 1066465797 /nfs/dbraw/zinc/46/57/97/1066465797.db2.gz CJFMXLQHRATPCK-UHFFFAOYSA-N 1 0 450.558 4.891 20 0 JJADRO Cc1c(Br)cc(F)cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001455982693 1066466503 /nfs/dbraw/zinc/46/65/03/1066466503.db2.gz GNYJQBJDVWLBAT-UHFFFAOYSA-N 1 0 452.343 4.818 20 0 JJADRO CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)co1 ZINC001361161458 1066467045 /nfs/dbraw/zinc/46/70/45/1066467045.db2.gz YVWFAUNRPUWJMT-UZFIPDPJSA-N 1 0 450.579 4.763 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361162398 1066470063 /nfs/dbraw/zinc/47/00/63/1066470063.db2.gz BFKXXJGWWMNVBC-FYYLOGMGSA-N 1 0 471.715 4.928 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)C3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001361162354 1066470237 /nfs/dbraw/zinc/47/02/37/1066470237.db2.gz NUOWTPJETQBDQV-UHFFFAOYSA-N 1 0 469.674 4.601 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361162861 1066470795 /nfs/dbraw/zinc/47/07/95/1066470795.db2.gz SRPDREVDYFXDEP-HHHXNRCGSA-N 1 0 471.690 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001361162631 1066470989 /nfs/dbraw/zinc/47/09/89/1066470989.db2.gz DSPWKMLXVDGGOY-URXFXBBRSA-N 1 0 471.715 4.784 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001361163204 1066471989 /nfs/dbraw/zinc/47/19/89/1066471989.db2.gz KWUZLPUDNJTAEK-CEWLAPEOSA-N 1 0 479.591 4.840 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC4(CCCCC4)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001361163624 1066473262 /nfs/dbraw/zinc/47/32/62/1066473262.db2.gz OGIQVLSZFHWLAC-OAQYLSRUSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361164046 1066474166 /nfs/dbraw/zinc/47/41/66/1066474166.db2.gz UFILFCMVLJRUDT-IRLDBZIGSA-N 1 0 471.715 4.926 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC001444557307 1066474792 /nfs/dbraw/zinc/47/47/92/1066474792.db2.gz RTDUKQNHAPZZOK-NEKDWFFYSA-N 1 0 450.623 4.772 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001361164585 1066475655 /nfs/dbraw/zinc/47/56/55/1066475655.db2.gz AOCIYMJQCVERMO-NRFANRHFSA-N 1 0 456.030 4.596 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC001444566647 1066477153 /nfs/dbraw/zinc/47/71/53/1066477153.db2.gz LSRBPZSPCNIPJF-KNQAVFIVSA-N 1 0 457.640 4.628 20 0 JJADRO Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2)cc1 ZINC001361166823 1066478404 /nfs/dbraw/zinc/47/84/04/1066478404.db2.gz AJAWKEIRQWJOOS-MRJKTFCFSA-N 1 0 467.702 4.641 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001361166800 1066478516 /nfs/dbraw/zinc/47/85/16/1066478516.db2.gz ZXWCKYQQKOQCPR-SHQCIBLASA-N 1 0 455.602 4.528 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C[C@H]1C ZINC001444614547 1066483631 /nfs/dbraw/zinc/48/36/31/1066483631.db2.gz KJNZAWABGGQZKL-QUCCMNQESA-N 1 0 455.002 4.600 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001444618918 1066484902 /nfs/dbraw/zinc/48/49/02/1066484902.db2.gz QSAJSBSTININAI-ZFWWWQNUSA-N 1 0 456.427 4.514 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C[C@@H]1C ZINC001444622560 1066485034 /nfs/dbraw/zinc/48/50/34/1066485034.db2.gz XXYJGNVZPAIDPQ-KKSFZXQISA-N 1 0 458.400 4.646 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC2CC[NH+](CCN(C)C)CC2)o1 ZINC001361170153 1066484987 /nfs/dbraw/zinc/48/49/87/1066484987.db2.gz MLFZLKMTQZXBRX-LJQANCHMSA-N 1 0 486.611 4.596 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2CCSC(F)(F)F)o1 ZINC001361170088 1066485247 /nfs/dbraw/zinc/48/52/47/1066485247.db2.gz FBULGFIOECYDRD-SFHVURJKSA-N 1 0 465.545 4.810 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)/C=C/c3cnc(C(C)(C)C)s3)CC2)c1C ZINC001456038855 1066487074 /nfs/dbraw/zinc/48/70/74/1066487074.db2.gz OIHRRWNVFZPNHZ-CMDGGOBGSA-N 1 0 456.656 4.597 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2CCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC001361171507 1066487241 /nfs/dbraw/zinc/48/72/41/1066487241.db2.gz VMPHCRPFCPHCNV-YADHBBJMSA-N 1 0 451.615 4.589 20 0 JJADRO C/C(=C/C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)c1ccccc1C ZINC001444644964 1066487310 /nfs/dbraw/zinc/48/73/10/1066487310.db2.gz BLOZLZBTERSHME-ZPHPHTNESA-N 1 0 457.412 4.820 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CCCc3ccc(SC)cc3)CC2)c1C ZINC001456040356 1066487796 /nfs/dbraw/zinc/48/77/96/1066487796.db2.gz UDWUDLRHTCUKSJ-UHFFFAOYSA-N 1 0 455.668 4.875 20 0 JJADRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001444653328 1066488803 /nfs/dbraw/zinc/48/88/03/1066488803.db2.gz SZAFOUOBGLAJBX-IBGZPJMESA-N 1 0 452.982 4.920 20 0 JJADRO Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)c(OCC[NH+](C)C)c1 ZINC001444649553 1066488960 /nfs/dbraw/zinc/48/89/60/1066488960.db2.gz MDPAEKKRZWOHFJ-UHFFFAOYSA-N 1 0 456.949 4.655 20 0 JJADRO COC(=O)C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660396 1066489338 /nfs/dbraw/zinc/48/93/38/1066489338.db2.gz DXVPDAGYRACGQO-XUZZJYLKSA-N 1 0 454.586 4.756 20 0 JJADRO O=C(CC/C=C\c1ccccc1)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC001444655263 1066489608 /nfs/dbraw/zinc/48/96/08/1066489608.db2.gz ZCTZFKXPEKTBLT-YWEYNIOJSA-N 1 0 457.412 4.902 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361175150 1066492156 /nfs/dbraw/zinc/49/21/56/1066492156.db2.gz DOFXUKDYMQMOLH-OAQYLSRUSA-N 1 0 466.630 4.515 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC001361175575 1066493505 /nfs/dbraw/zinc/49/35/05/1066493505.db2.gz RNTANRHFTIBPCZ-QAPCUYQASA-N 1 0 453.534 4.990 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)c3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361175996 1066494451 /nfs/dbraw/zinc/49/44/51/1066494451.db2.gz ZWDGAYRYZJLPHY-FCEUIQTBSA-N 1 0 451.615 4.586 20 0 JJADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)ccc1NC(=O)c1cccs1 ZINC001456053391 1066494501 /nfs/dbraw/zinc/49/45/01/1066494501.db2.gz FXSRCCZLQSDDNG-UHFFFAOYSA-N 1 0 457.546 4.791 20 0 JJADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)no2)cc1 ZINC001361176808 1066494683 /nfs/dbraw/zinc/49/46/83/1066494683.db2.gz VXFUWJDIKHOOFG-UHFFFAOYSA-N 1 0 450.514 4.938 20 0 JJADRO CCc1nc2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C(F)(F)F)cc3)cc2nc1CC ZINC001456053880 1066495182 /nfs/dbraw/zinc/49/51/82/1066495182.db2.gz IAFHMOOZQYUNGA-UHFFFAOYSA-N 1 0 458.528 4.977 20 0 JJADRO Cc1cccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1Br ZINC001456054056 1066495229 /nfs/dbraw/zinc/49/52/29/1066495229.db2.gz HFGSRXGVABFAIS-UHFFFAOYSA-N 1 0 457.334 4.909 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC001456055827 1066496105 /nfs/dbraw/zinc/49/61/05/1066496105.db2.gz LZNNGZLXDPRZID-UHFFFAOYSA-N 1 0 454.412 4.967 20 0 JJADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)COc1ccc2ccccc2c1Br ZINC001456056082 1066496683 /nfs/dbraw/zinc/49/66/83/1066496683.db2.gz NIGWFVMHCPNAIX-UHFFFAOYSA-N 1 0 459.359 4.711 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(OCc2ccccc2)ccn1 ZINC001456057260 1066496766 /nfs/dbraw/zinc/49/67/66/1066496766.db2.gz QSOKHMIUPHDQQD-UHFFFAOYSA-N 1 0 457.496 4.883 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC001456057266 1066497444 /nfs/dbraw/zinc/49/74/44/1066497444.db2.gz QVVRBENQBLXNSW-UHFFFAOYSA-N 1 0 456.537 4.807 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001456058941 1066497887 /nfs/dbraw/zinc/49/78/87/1066497887.db2.gz VURAYPUOYDOOBL-UHFFFAOYSA-N 1 0 453.411 4.843 20 0 JJADRO C[C@@H](CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001456060525 1066498412 /nfs/dbraw/zinc/49/84/12/1066498412.db2.gz RPFDKMZRTOGGGX-INIZCTEOSA-N 1 0 458.430 4.721 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001456060597 1066498520 /nfs/dbraw/zinc/49/85/20/1066498520.db2.gz RTECOVFIZCGNBG-HHHXNRCGSA-N 1 0 455.602 4.754 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@]2([NH+](C)C)CCSC2)o1 ZINC001361178784 1066499521 /nfs/dbraw/zinc/49/95/21/1066499521.db2.gz SHZMPTWBNVJYJN-HSZRJFAPSA-N 1 0 477.581 4.522 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccnc1SCC1CCCCC1 ZINC001444740781 1066500226 /nfs/dbraw/zinc/50/02/26/1066500226.db2.gz GRCBQAFEWJLCLJ-UHFFFAOYSA-N 1 0 453.652 4.641 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3csc(Br)c3)n2CC2([NH+](C)C)CCC2)o1 ZINC001361181236 1066502379 /nfs/dbraw/zinc/50/23/79/1066502379.db2.gz IELIQBMIXKMOJT-UHFFFAOYSA-N 1 0 464.433 4.791 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)o1 ZINC001361184554 1066507744 /nfs/dbraw/zinc/50/77/44/1066507744.db2.gz NFBDTBROPYXBLN-RTWAWAEBSA-N 1 0 451.615 4.839 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC001361187269 1066511453 /nfs/dbraw/zinc/51/14/53/1066511453.db2.gz LCBWHFDWOOAVEI-ROUUACIJSA-N 1 0 456.660 4.738 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1Br ZINC001361187407 1066512009 /nfs/dbraw/zinc/51/20/09/1066512009.db2.gz QOWYTOQCJBVPFN-QFIPXVFZSA-N 1 0 490.490 4.609 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC3CC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1Br ZINC001361187510 1066512440 /nfs/dbraw/zinc/51/24/40/1066512440.db2.gz UYAYLYCDSXFIIV-KRWDZBQOSA-N 1 0 460.464 4.984 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1Br ZINC001361190006 1066515028 /nfs/dbraw/zinc/51/50/28/1066515028.db2.gz AUDHJBQVIKWCNL-TZIWHRDSSA-N 1 0 490.490 4.896 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC001361190575 1066515670 /nfs/dbraw/zinc/51/56/70/1066515670.db2.gz LTSCJZBUYUQMHZ-JOCHJYFZSA-N 1 0 451.615 4.730 20 0 JJADRO COc1ccc(-c2nc(C(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)cs2)cc1OC ZINC001444897711 1066516918 /nfs/dbraw/zinc/51/69/18/1066516918.db2.gz YATYESCTKGOQNF-GOSISDBHSA-N 1 0 451.592 4.564 20 0 JJADRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001444894887 1066517055 /nfs/dbraw/zinc/51/70/55/1066517055.db2.gz TZCPZOJBVYQHEV-HYBUGGRVSA-N 1 0 456.030 4.608 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001546079879 1066518215 /nfs/dbraw/zinc/51/82/15/1066518215.db2.gz VYWHLBJROQFIOZ-RPBOFIJWSA-N 1 0 457.688 4.538 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC001444923368 1066518223 /nfs/dbraw/zinc/51/82/23/1066518223.db2.gz HLDBJSOQXKMVEI-UHFFFAOYSA-N 1 0 458.628 4.546 20 0 JJADRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H](Sc3ccc(F)c(F)c3)c3ccccc3)CC2)c1 ZINC001456139037 1066519261 /nfs/dbraw/zinc/51/92/61/1066519261.db2.gz CTAYMUUTCRPSSA-QHCPKHFHSA-N 1 0 455.530 4.551 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001361195718 1066522920 /nfs/dbraw/zinc/52/29/20/1066522920.db2.gz FENDEKVFDDJVDP-QSFXBCCZSA-N 1 0 497.949 4.959 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCc2sncc2Br)c1 ZINC001456150188 1066523373 /nfs/dbraw/zinc/52/33/73/1066523373.db2.gz AZHOYGYVZZGTNK-VQTJNVASSA-N 1 0 470.436 4.746 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001361196230 1066523489 /nfs/dbraw/zinc/52/34/89/1066523489.db2.gz MESZAINUYBGGSS-SCTDSRPQSA-N 1 0 460.464 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)o1 ZINC001361198012 1066526301 /nfs/dbraw/zinc/52/63/01/1066526301.db2.gz FNMJBLYTBMACEB-DENIHFKCSA-N 1 0 498.697 4.588 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC001361200461 1066531000 /nfs/dbraw/zinc/53/10/00/1066531000.db2.gz WZIXTIIKCLDRFW-UUOWRZLLSA-N 1 0 497.606 4.888 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001361201878 1066531757 /nfs/dbraw/zinc/53/17/57/1066531757.db2.gz JGTLGERFRRNDQE-IJXRJRJASA-N 1 0 490.490 4.750 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC001361201880 1066531864 /nfs/dbraw/zinc/53/18/64/1066531864.db2.gz JGTLGERFRRNDQE-NBYUQASBSA-N 1 0 490.490 4.750 20 0 JJADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccccc3CNC(=O)OC(C)(C)C)cc2)C1 ZINC001445049556 1066533789 /nfs/dbraw/zinc/53/37/89/1066533789.db2.gz PEBKKQXXBBZDLJ-IBGZPJMESA-N 1 0 453.583 4.684 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNC(=O)[C@@H]1CSC(c2ccccc2)=N1)C1CCCC1 ZINC001445054565 1066534745 /nfs/dbraw/zinc/53/47/45/1066534745.db2.gz IRLMEXGMRQUIOQ-QHCPKHFHSA-N 1 0 451.636 4.508 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc12 ZINC001445054894 1066534762 /nfs/dbraw/zinc/53/47/62/1066534762.db2.gz PAFVGKNXIFUWKP-LRDDRELGSA-N 1 0 451.423 4.974 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001445086820 1066537900 /nfs/dbraw/zinc/53/79/00/1066537900.db2.gz YAYATGGDLGLZAG-OBTVHEKISA-N 1 0 455.643 4.585 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001445086836 1066538531 /nfs/dbraw/zinc/53/85/31/1066538531.db2.gz YAYATGGDLGLZAG-QHWMMSMNSA-N 1 0 455.643 4.585 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC(F)(F)F)cc1Br ZINC001361206981 1066538803 /nfs/dbraw/zinc/53/88/03/1066538803.db2.gz DUAXZMUWJYERCZ-INIZCTEOSA-N 1 0 472.353 4.643 20 0 JJADRO COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1Br ZINC001456215729 1066539027 /nfs/dbraw/zinc/53/90/27/1066539027.db2.gz AGEPMOZHIGPNGA-LEWJYISDSA-N 1 0 466.379 4.707 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445101212 1066539642 /nfs/dbraw/zinc/53/96/42/1066539642.db2.gz ZPULSSZMEZZTRN-RQNQAMLKSA-N 1 0 467.629 4.512 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccco2)cc1Br ZINC001361207150 1066539758 /nfs/dbraw/zinc/53/97/58/1066539758.db2.gz KZPWFMQPPBIKCK-UHFFFAOYSA-N 1 0 458.404 4.624 20 0 JJADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445120150 1066540195 /nfs/dbraw/zinc/54/01/95/1066540195.db2.gz APTXWQBPSRMZQU-UHFFFAOYSA-N 1 0 451.574 4.537 20 0 JJADRO CCC[N@H+](CC)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001445164616 1066541897 /nfs/dbraw/zinc/54/18/97/1066541897.db2.gz WVPVOYHSPFSIKM-UHFFFAOYSA-N 1 0 455.400 4.764 20 0 JJADRO CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC([NH+](CC)CC)CC1)Oc1cccc(F)c1 ZINC001545972415 1066542291 /nfs/dbraw/zinc/54/22/91/1066542291.db2.gz FVEWJDJYLLJZJM-HSZRJFAPSA-N 1 0 466.605 4.647 20 0 JJADRO CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC([NH+](CC)CC)CC1)Oc1cccc(F)c1 ZINC001545972416 1066542332 /nfs/dbraw/zinc/54/23/32/1066542332.db2.gz FVEWJDJYLLJZJM-QHCPKHFHSA-N 1 0 466.605 4.647 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001546080930 1066545301 /nfs/dbraw/zinc/54/53/01/1066545301.db2.gz FRKLYEJYQLTTBI-DPZBCOQUSA-N 1 0 469.674 4.517 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001546080931 1066545654 /nfs/dbraw/zinc/54/56/54/1066545654.db2.gz FRKLYEJYQLTTBI-NLJOTIRTSA-N 1 0 469.674 4.517 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC001445230239 1066548094 /nfs/dbraw/zinc/54/80/94/1066548094.db2.gz ZKKZFDNFFBOLIZ-XVAXZDLZSA-N 1 0 450.023 4.819 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361213918 1066549115 /nfs/dbraw/zinc/54/91/15/1066549115.db2.gz DSOINUCLSMLKFQ-NQIIRXRSSA-N 1 0 491.558 4.915 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361213920 1066549142 /nfs/dbraw/zinc/54/91/42/1066549142.db2.gz DSOINUCLSMLKFQ-WIYYLYMNSA-N 1 0 491.558 4.915 20 0 JJADRO COc1cc(C)c([C@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1OC ZINC001456267323 1066550244 /nfs/dbraw/zinc/55/02/44/1066550244.db2.gz LOVNAASOWXFEBT-KSNOWIBYSA-N 1 0 459.590 4.500 20 0 JJADRO CCC(C)(C)c1ccc(OCCCC(=O)N2CCN(C)CC[N@H+](C)CC2)c(C(C)(C)CC)c1 ZINC001456269125 1066550664 /nfs/dbraw/zinc/55/06/64/1066550664.db2.gz MFJHYTDRNLGQKO-UHFFFAOYSA-N 1 0 459.719 4.927 20 0 JJADRO CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)(C)C)CC2)CC1 ZINC001445268438 1066550923 /nfs/dbraw/zinc/55/09/23/1066550923.db2.gz FWZPZLKKSQHTGF-KXTRFFEISA-N 1 0 457.659 4.687 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)o1 ZINC001361214664 1066551274 /nfs/dbraw/zinc/55/12/74/1066551274.db2.gz UQHWARAETBAMAN-VQTJNVASSA-N 1 0 483.579 4.905 20 0 JJADRO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)cc1 ZINC001445277115 1066551991 /nfs/dbraw/zinc/55/19/91/1066551991.db2.gz XCEBIEXAMIZRNR-HQNXYIODSA-N 1 0 457.659 4.920 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CCCC3(CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001456274050 1066552272 /nfs/dbraw/zinc/55/22/72/1066552272.db2.gz BZBLFGJGALAZKD-JOCHJYFZSA-N 1 0 455.643 4.775 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCc2csc(C(C)C)n2)o1 ZINC001361216883 1066552590 /nfs/dbraw/zinc/55/25/90/1066552590.db2.gz AGZJBLFEMBTLMH-UHFFFAOYSA-N 1 0 456.660 4.980 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCN(C(=O)CC4CCCC4)CC3)n2CCC[NH+](C(C)C)C(C)C)o1 ZINC001361217431 1066552974 /nfs/dbraw/zinc/55/29/74/1066552974.db2.gz JIMOOFTUFFAJCE-UHFFFAOYSA-N 1 0 498.716 4.974 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H]2CC=CCO2)cc1Br ZINC001361218200 1066554399 /nfs/dbraw/zinc/55/43/99/1066554399.db2.gz PKPYJWJILDSCSR-FQEVSTJZSA-N 1 0 488.474 4.672 20 0 JJADRO Cc1cc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)nn1-c1ccccc1 ZINC001361220265 1066557271 /nfs/dbraw/zinc/55/72/71/1066557271.db2.gz LCPCUUAMXOWDRN-NRFANRHFSA-N 1 0 456.512 4.707 20 0 JJADRO C[NH+](C)CCCOC1CCN(C(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC001445334546 1066558207 /nfs/dbraw/zinc/55/82/07/1066558207.db2.gz BJVHETACXFULPK-CLCOLTQESA-N 1 0 458.549 4.788 20 0 JJADRO COc1cc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC001445337101 1066558804 /nfs/dbraw/zinc/55/88/04/1066558804.db2.gz KEYJLXGTZSJXRP-UHFFFAOYSA-N 1 0 456.945 4.929 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCC2CCOCC2)cc1Br ZINC001361220874 1066558891 /nfs/dbraw/zinc/55/88/91/1066558891.db2.gz HMQURJPANPGVDC-UHFFFAOYSA-N 1 0 490.490 4.753 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@H](C)C1 ZINC001456302713 1066559146 /nfs/dbraw/zinc/55/91/46/1066559146.db2.gz NGAZPYHHXOVBSH-RDTXWAMCSA-N 1 0 456.439 4.984 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2cccc(OCC(C)C)c2)o1 ZINC001361221145 1066559596 /nfs/dbraw/zinc/55/95/96/1066559596.db2.gz PATMNUCMGISMCN-UHFFFAOYSA-N 1 0 451.615 4.850 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[C@H]2C[C@H](F)C2)cc1Br ZINC001361221244 1066560110 /nfs/dbraw/zinc/56/01/10/1066560110.db2.gz RYUXGXGSPWELHQ-UAPYVXQJSA-N 1 0 464.427 4.685 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)[C@H](C)C1 ZINC001456306356 1066560263 /nfs/dbraw/zinc/56/02/63/1066560263.db2.gz ZWHAELOKFOZUGG-WIYYLYMNSA-N 1 0 454.640 4.571 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001361225745 1066564443 /nfs/dbraw/zinc/56/44/43/1066564443.db2.gz LCSBBOQUZIOIJW-RBUKOAKNSA-N 1 0 469.552 4.687 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC2CCC(C(F)(F)F)CC2)o1 ZINC001361226486 1066564822 /nfs/dbraw/zinc/56/48/22/1066564822.db2.gz ZKORGAHXCRHIOF-UHFFFAOYSA-N 1 0 483.579 4.762 20 0 JJADRO Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@H](c2cccs2)[NH+](C)C)cc1Br ZINC001361229337 1066568553 /nfs/dbraw/zinc/56/85/53/1066568553.db2.gz PZBTZKQIIKKRHP-QFBILLFUSA-N 1 0 490.471 4.606 20 0 JJADRO Cc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1Br ZINC001361230735 1066569974 /nfs/dbraw/zinc/56/99/74/1066569974.db2.gz BABAIJOEMBVSCR-IEBWSBKVSA-N 1 0 480.520 4.934 20 0 JJADRO C[NH+](C)[C@H](CC(=O)N1CC(C)(C)[C@H]1c1nccn1COCC[Si](C)(C)C)c1ccccc1 ZINC001456359751 1066569942 /nfs/dbraw/zinc/56/99/42/1066569942.db2.gz NPPSNNKKOFDDND-FYYLOGMGSA-N 1 0 456.707 4.798 20 0 JJADRO C[NH+](C)CCn1ncc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c1-c1ccccc1 ZINC001361234920 1066575378 /nfs/dbraw/zinc/57/53/78/1066575378.db2.gz UNTQNOBTUDQVKQ-UHFFFAOYSA-N 1 0 456.512 4.592 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445524438 1066581525 /nfs/dbraw/zinc/58/15/25/1066581525.db2.gz OKBXGSREBVHVJN-NOTUOJBMSA-N 1 0 455.643 4.537 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)C1 ZINC001456422179 1066582014 /nfs/dbraw/zinc/58/20/14/1066582014.db2.gz CJWPZDUABSHPBN-RUZDIDTESA-N 1 0 456.537 4.961 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC001445531741 1066583592 /nfs/dbraw/zinc/58/35/92/1066583592.db2.gz ZJZLZSMMRSDEIW-NZQKXSOJSA-N 1 0 450.583 4.555 20 0 JJADRO CC(=O)c1cccc(OCc2cc(C(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)no2)c1 ZINC001445564846 1066588225 /nfs/dbraw/zinc/58/82/25/1066588225.db2.gz GBPRUPTWEBCBPB-IBGZPJMESA-N 1 0 453.583 4.573 20 0 JJADRO COc1ccc(-c2nc(C(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)cs2)cc1OC ZINC001445570639 1066589073 /nfs/dbraw/zinc/58/90/73/1066589073.db2.gz UIFBMCSWNCFFFD-SFHVURJKSA-N 1 0 457.640 4.944 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)c1 ZINC001456449601 1066589355 /nfs/dbraw/zinc/58/93/55/1066589355.db2.gz AMOPIWQJVKPWSW-UHFFFAOYSA-N 1 0 450.558 4.998 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(S(C)(=O)=O)cc2C)c1 ZINC001456450203 1066590105 /nfs/dbraw/zinc/59/01/05/1066590105.db2.gz WORUNARCCIMRRN-LOSJGSFVSA-N 1 0 462.615 4.561 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCC2)o1 ZINC001361248054 1066590753 /nfs/dbraw/zinc/59/07/53/1066590753.db2.gz FYPZFIHOXNGRDH-LJQANCHMSA-N 1 0 455.578 4.969 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)o1 ZINC001361248196 1066591206 /nfs/dbraw/zinc/59/12/06/1066591206.db2.gz IFSVVKLGGDPCAM-RTWAWAEBSA-N 1 0 485.604 4.596 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC001361248192 1066591396 /nfs/dbraw/zinc/59/13/96/1066591396.db2.gz IFSVVKLGGDPCAM-LEWJYISDSA-N 1 0 485.604 4.596 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC001361249791 1066594095 /nfs/dbraw/zinc/59/40/95/1066594095.db2.gz FWHGOUARHHVFEX-YZIHRLCOSA-N 1 0 489.730 4.693 20 0 JJADRO Cc1cccc(C)c1OC[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001445603835 1066594452 /nfs/dbraw/zinc/59/44/52/1066594452.db2.gz FZAVFJDTJWNLKR-HHHXNRCGSA-N 1 0 457.618 4.601 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361250030 1066595802 /nfs/dbraw/zinc/59/58/02/1066595802.db2.gz OGURQSOENMWFBO-HOTGVXAUSA-N 1 0 475.435 4.694 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cccc(Cl)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001361250023 1066595878 /nfs/dbraw/zinc/59/58/78/1066595878.db2.gz OCXQNLXVRBUVOM-JOCHJYFZSA-N 1 0 474.074 4.962 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C/C=C/c1ccc(Br)cc1 ZINC001361251141 1066598244 /nfs/dbraw/zinc/59/82/44/1066598244.db2.gz YBXGOUIGINPYQP-SNAWJCMRSA-N 1 0 458.400 4.642 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Cl)c(Br)c1 ZINC001361252276 1066599802 /nfs/dbraw/zinc/59/98/02/1066599802.db2.gz FNXYDKHDWAZAPJ-UHFFFAOYSA-N 1 0 452.780 4.505 20 0 JJADRO CCSCc1ccc(C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001456502128 1066603001 /nfs/dbraw/zinc/60/30/01/1066603001.db2.gz DYODUAYGRYHNBO-UHFFFAOYSA-N 1 0 451.558 4.640 20 0 JJADRO CC[C@@H](Sc1ccccc1)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001456503703 1066603839 /nfs/dbraw/zinc/60/38/39/1066603839.db2.gz KDIYSYIEBASCIJ-OAQYLSRUSA-N 1 0 451.558 4.644 20 0 JJADRO Cc1ccc(CN(C)c2nnc(CC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC001361257712 1066606270 /nfs/dbraw/zinc/60/62/70/1066606270.db2.gz HCTWNNGEROUXFU-UHFFFAOYSA-N 1 0 466.699 4.695 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)o1 ZINC001361258656 1066608362 /nfs/dbraw/zinc/60/83/62/1066608362.db2.gz ZAULDSGSPXRJMU-UHFFFAOYSA-N 1 0 458.610 4.690 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H]2C)s1 ZINC001361261061 1066611670 /nfs/dbraw/zinc/61/16/70/1066611670.db2.gz FVDKNRVSEKELLX-FQEVSTJZSA-N 1 0 453.656 4.965 20 0 JJADRO Cc1ccc(NC(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)cc1O ZINC001445729322 1066612609 /nfs/dbraw/zinc/61/26/09/1066612609.db2.gz ZFVYYCORLLIBHT-UHFFFAOYSA-N 1 0 453.583 4.589 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361261341 1066612885 /nfs/dbraw/zinc/61/28/85/1066612885.db2.gz PQBMDRYYZXMRCS-DHIUTWEWSA-N 1 0 495.668 4.900 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)Cc2ccccc2)o1 ZINC001361261875 1066614864 /nfs/dbraw/zinc/61/48/64/1066614864.db2.gz ZMPZJINLCOLCNS-DNQXCXABSA-N 1 0 465.642 4.867 20 0 JJADRO C[C@H]1C[C@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001445784965 1066616817 /nfs/dbraw/zinc/61/68/17/1066616817.db2.gz GONWHNAKJPQGOI-BBRMVZONSA-N 1 0 457.290 4.741 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001456553915 1066623828 /nfs/dbraw/zinc/62/38/28/1066623828.db2.gz QQSQWQONPIFDEH-AVRDEDQJSA-N 1 0 452.986 4.834 20 0 JJADRO CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCCC2)CCO1 ZINC001546083245 1066623921 /nfs/dbraw/zinc/62/39/21/1066623921.db2.gz KZZQQTAWLGGIGB-GJZUVCINSA-N 1 0 455.647 4.526 20 0 JJADRO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001456562413 1066625744 /nfs/dbraw/zinc/62/57/44/1066625744.db2.gz PZUUCDFMBQHYEC-SFHVURJKSA-N 1 0 456.512 4.936 20 0 JJADRO O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001361277027 1066634953 /nfs/dbraw/zinc/63/49/53/1066634953.db2.gz NMFJQKZJCWJCTC-WQTDRKJOSA-N 1 0 458.046 4.648 20 0 JJADRO Cc1ccc(Cn2c(CC(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)c(OCC(F)(F)F)c1 ZINC001361285593 1066644341 /nfs/dbraw/zinc/64/43/41/1066644341.db2.gz DBKKZDWSDRBTFT-OAQYLSRUSA-N 1 0 479.591 4.839 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001492600079 1066652529 /nfs/dbraw/zinc/65/25/29/1066652529.db2.gz HUIBFMMPIRLUIZ-OAQYLSRUSA-N 1 0 462.623 4.528 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001492602143 1066657551 /nfs/dbraw/zinc/65/75/51/1066657551.db2.gz ODLSDORAIRNKQS-ISKFKSNPSA-N 1 0 469.674 4.506 20 0 JJADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001446094337 1066658898 /nfs/dbraw/zinc/65/88/98/1066658898.db2.gz DRXUOPVUMRMJAW-DLBZAZTESA-N 1 0 454.423 4.615 20 0 JJADRO Cc1ccc(NC(=O)c2nnc(N3CCC=C(C)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001492607632 1066667301 /nfs/dbraw/zinc/66/73/01/1066667301.db2.gz BTTGAUMNTPLUFH-QHCPKHFHSA-N 1 0 464.658 4.958 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(CC(C)C)n3C[C@H](C)[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001492607909 1066667723 /nfs/dbraw/zinc/66/77/23/1066667723.db2.gz JSEKPTOUYCQKIT-QHCPKHFHSA-N 1 0 476.669 4.748 20 0 JJADRO CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001492609124 1066670441 /nfs/dbraw/zinc/67/04/41/1066670441.db2.gz MNMWDVXYSOIQJK-GOSISDBHSA-N 1 0 475.460 4.567 20 0 JJADRO CC1=CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001492610802 1066672829 /nfs/dbraw/zinc/67/28/29/1066672829.db2.gz IEAUQCFBSYLZCV-ZEQRLZLVSA-N 1 0 494.684 4.852 20 0 JJADRO CC1=CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001492610945 1066673287 /nfs/dbraw/zinc/67/32/87/1066673287.db2.gz MXIQKLIKONPLHQ-JOCHJYFZSA-N 1 0 486.705 4.814 20 0 JJADRO CC[N@@H+]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C[C@H]1C ZINC001446198065 1066674973 /nfs/dbraw/zinc/67/49/73/1066674973.db2.gz UAXQEXRXWYPEQK-GOSISDBHSA-N 1 0 450.608 4.657 20 0 JJADRO Cc1ccc(SCc2nnc(N3CCC=C(C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001492613892 1066677558 /nfs/dbraw/zinc/67/75/58/1066677558.db2.gz MRRGJELQPIDOCU-QFIPXVFZSA-N 1 0 455.672 4.536 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=C(C)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001492615073 1066679665 /nfs/dbraw/zinc/67/96/65/1066679665.db2.gz YRTASTLCPXPPEF-GGAORHGYSA-N 1 0 488.076 4.692 20 0 JJADRO CC1=CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001492614995 1066679694 /nfs/dbraw/zinc/67/96/94/1066679694.db2.gz WMZOYQJHPLNIHV-VXKWHMMOSA-N 1 0 499.103 4.776 20 0 JJADRO CC1=CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001492615570 1066681775 /nfs/dbraw/zinc/68/17/75/1066681775.db2.gz REUKPBKSKGTJMS-OALUTQOASA-N 1 0 475.479 4.571 20 0 JJADRO CC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492616020 1066683190 /nfs/dbraw/zinc/68/31/90/1066683190.db2.gz HVLLEELBOLUSTG-HDICACEKSA-N 1 0 464.441 4.908 20 0 JJADRO CC1=CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001492616247 1066683904 /nfs/dbraw/zinc/68/39/04/1066683904.db2.gz QROOSIYUDKKOQX-SFHVURJKSA-N 1 0 492.437 4.504 20 0 JJADRO CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001492617804 1066685154 /nfs/dbraw/zinc/68/51/54/1066685154.db2.gz PGXOARKUIVQSKC-JOCHJYFZSA-N 1 0 486.705 4.669 20 0 JJADRO CCCc1c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774104 1066687093 /nfs/dbraw/zinc/68/70/93/1066687093.db2.gz WIMADDPDDMUVDJ-AOMKIAJQSA-N 1 0 458.031 4.748 20 0 JJADRO CCCc1c(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774119 1066687145 /nfs/dbraw/zinc/68/71/45/1066687145.db2.gz WIMADDPDDMUVDJ-OPAMFIHVSA-N 1 0 458.031 4.748 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)[C@@H]1c1cccs1 ZINC001456775034 1066687854 /nfs/dbraw/zinc/68/78/54/1066687854.db2.gz YJVLFRTWHYVGQB-AUUYWEPGSA-N 1 0 451.405 4.881 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC=C(C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001492619945 1066688602 /nfs/dbraw/zinc/68/86/02/1066688602.db2.gz PMIJOUHFJOXFKD-OAQYLSRUSA-N 1 0 451.640 4.995 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC001446323095 1066690562 /nfs/dbraw/zinc/69/05/62/1066690562.db2.gz MIBJHODSDSQKIH-HXUWFJFHSA-N 1 0 450.501 4.737 20 0 JJADRO Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC001492622836 1066694756 /nfs/dbraw/zinc/69/47/56/1066694756.db2.gz STZPVVBIYIPCMJ-JOCHJYFZSA-N 1 0 455.695 4.652 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(Cl)cc(Br)c2F)cc1 ZINC001446349265 1066694891 /nfs/dbraw/zinc/69/48/91/1066694891.db2.gz IRNBDAJPJAHQDL-SFHVURJKSA-N 1 0 455.755 4.817 20 0 JJADRO CCC[C@@H]1CN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001446349518 1066695072 /nfs/dbraw/zinc/69/50/72/1066695072.db2.gz MXLRZFBQVSMPQP-JOCHJYFZSA-N 1 0 451.586 4.866 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc(CSc4ccc(Cl)cc4)n3C[C@H](C)[NH+](C)C)C2)c1 ZINC001492623169 1066695489 /nfs/dbraw/zinc/69/54/89/1066695489.db2.gz YDVWMTQFRIBSNY-ICSRJNTNSA-N 1 0 474.078 4.520 20 0 JJADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001446355732 1066695595 /nfs/dbraw/zinc/69/55/95/1066695595.db2.gz NSKHIWTWYXIZQC-SFHVURJKSA-N 1 0 450.410 4.617 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CSCc2coc(-c3ccccc3)n2)cc1 ZINC001446358363 1066696392 /nfs/dbraw/zinc/69/63/92/1066696392.db2.gz ZHEWVLLHCTVEDH-QHCPKHFHSA-N 1 0 451.592 4.537 20 0 JJADRO CC[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1)[NH+]1CCCC1 ZINC001545985166 1066699109 /nfs/dbraw/zinc/69/91/09/1066699109.db2.gz WHUQJOGBDVOTHU-PZJWPPBQSA-N 1 0 470.628 4.521 20 0 JJADRO O=C([C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446390196 1066701066 /nfs/dbraw/zinc/70/10/66/1066701066.db2.gz HCSJWMHWKNFKNN-OALUTQOASA-N 1 0 451.558 4.823 20 0 JJADRO Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC001492630971 1066706695 /nfs/dbraw/zinc/70/66/95/1066706695.db2.gz CSYWGYPADYBZAP-NRFANRHFSA-N 1 0 495.741 4.694 20 0 JJADRO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001456863282 1066709042 /nfs/dbraw/zinc/70/90/42/1066709042.db2.gz JNGWOSMGEPDTIS-FQEVSTJZSA-N 1 0 451.380 4.755 20 0 JJADRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)CC2)CC1 ZINC001446617494 1066726148 /nfs/dbraw/zinc/72/61/48/1066726148.db2.gz RSPKOSFPKXWYMF-CTWPCTMYSA-N 1 0 452.426 4.506 20 0 JJADRO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC001545987840 1066727165 /nfs/dbraw/zinc/72/71/65/1066727165.db2.gz XLSIXIGWWDQLGI-PZJWPPBQSA-N 1 0 465.564 4.702 20 0 JJADRO CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC001545987839 1066727265 /nfs/dbraw/zinc/72/72/65/1066727265.db2.gz XLSIXIGWWDQLGI-FPOVZHCZSA-N 1 0 465.564 4.702 20 0 JJADRO Cc1csc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001492640228 1066730617 /nfs/dbraw/zinc/73/06/17/1066730617.db2.gz XPYYPOQFHLJKHH-OAQYLSRUSA-N 1 0 482.698 4.963 20 0 JJADRO Cc1csc([C@@H]2CN(c3nnc(-c4ccccc4C)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)n1 ZINC001492640991 1066733249 /nfs/dbraw/zinc/73/32/49/1066733249.db2.gz IGOQIFLCJHZMJC-UNMCSNQZSA-N 1 0 468.671 4.573 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(C)(C)C ZINC001446716646 1066733937 /nfs/dbraw/zinc/73/39/37/1066733937.db2.gz RUXZKSNPIIGFBM-KAOXLYBCSA-N 1 0 457.659 4.733 20 0 JJADRO O=C([C@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001446718013 1066733962 /nfs/dbraw/zinc/73/39/62/1066733962.db2.gz WOHZRYYUQSBFBX-RUZDIDTESA-N 1 0 457.014 4.811 20 0 JJADRO O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981184 1066734927 /nfs/dbraw/zinc/73/49/27/1066734927.db2.gz DNGYSRKTCMUXSO-GUDVDZBRSA-N 1 0 452.467 4.981 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+](C)C2CCCCC2)CCO1 ZINC001546085994 1066737582 /nfs/dbraw/zinc/73/75/82/1066737582.db2.gz WUZCTVIBZKZLEG-VWLOTQADSA-N 1 0 477.600 4.816 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)C2)n1 ZINC001492642981 1066737858 /nfs/dbraw/zinc/73/78/58/1066737858.db2.gz WSHMTYIMRWKHCL-VAMGGRTRSA-N 1 0 474.719 4.612 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(C(C)C)n3C[C@H](c3ccc(F)cc3)[NH+](C)C)C2)n1 ZINC001492643128 1066738804 /nfs/dbraw/zinc/73/88/04/1066738804.db2.gz ZFPZHWQZULUQNE-TZIWHRDSSA-N 1 0 456.635 4.992 20 0 JJADRO Cc1csc(CCCCn2c(Cc3ccccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001492643215 1066738828 /nfs/dbraw/zinc/73/88/28/1066738828.db2.gz BWHHSXXKPMGAJE-UHFFFAOYSA-N 1 0 470.662 4.716 20 0 JJADRO Cc1csc(CCCCn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC001492643803 1066740230 /nfs/dbraw/zinc/74/02/30/1066740230.db2.gz QZERQSJWPJBIPL-QFIPXVFZSA-N 1 0 474.719 4.864 20 0 JJADRO COc1ccccc1C(C)(C)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001446824380 1066745018 /nfs/dbraw/zinc/74/50/18/1066745018.db2.gz MRJXKFKREPWTMI-UHFFFAOYSA-N 1 0 457.618 4.976 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)cc1)C[C@@H]1CCCCO1 ZINC001446832540 1066746102 /nfs/dbraw/zinc/74/61/02/1066746102.db2.gz FSECRTHKQNGXDN-PIPMEXSNSA-N 1 0 475.584 4.925 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1)C[C@H]1CCCCO1 ZINC001446836070 1066746283 /nfs/dbraw/zinc/74/62/83/1066746283.db2.gz NAVFQESFBWWDNA-MSOLQXFVSA-N 1 0 451.822 4.526 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1)C[C@@H]1CCCCO1 ZINC001446836241 1066746652 /nfs/dbraw/zinc/74/66/52/1066746652.db2.gz NAVFQESFBWWDNA-ROUUACIJSA-N 1 0 451.822 4.526 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001492645666 1066746938 /nfs/dbraw/zinc/74/69/38/1066746938.db2.gz DZEDUGJOFCYADX-QZTJIDSGSA-N 1 0 489.089 4.888 20 0 JJADRO COc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001457028763 1066747967 /nfs/dbraw/zinc/74/79/67/1066747967.db2.gz OZIIZIRWEGVUEM-UCGXPXSYSA-N 1 0 458.602 4.803 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001492645870 1066747891 /nfs/dbraw/zinc/74/78/91/1066747891.db2.gz LUMBHMYXKKGPHP-WOJBJXKFSA-N 1 0 453.656 4.839 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC001492647162 1066751055 /nfs/dbraw/zinc/75/10/55/1066751055.db2.gz YPKGARDSWHIBQZ-DENIHFKCSA-N 1 0 457.619 4.620 20 0 JJADRO CC(C)(C)OC(=O)Nc1ncc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001457060317 1066752593 /nfs/dbraw/zinc/75/25/93/1066752593.db2.gz DEMVVMGLBXZTOS-CEXWTWQISA-N 1 0 456.612 4.521 20 0 JJADRO Cc1csc(CN(C)c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001492648370 1066754058 /nfs/dbraw/zinc/75/40/58/1066754058.db2.gz SFMRMLCKYHBGGT-FQEVSTJZSA-N 1 0 453.656 4.638 20 0 JJADRO C[C@H]1[C@H](C)N(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001446907286 1066755166 /nfs/dbraw/zinc/75/51/66/1066755166.db2.gz XGFZHLLIQZMKMI-SFTDATJTSA-N 1 0 451.611 4.789 20 0 JJADRO C[C@@H]1[C@@H](C)N(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001446907279 1066755452 /nfs/dbraw/zinc/75/54/52/1066755452.db2.gz XGFZHLLIQZMKMI-NHCUHLMSSA-N 1 0 451.611 4.789 20 0 JJADRO C[C@@H]1[C@H](C)N(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001446907269 1066755463 /nfs/dbraw/zinc/75/54/63/1066755463.db2.gz XGFZHLLIQZMKMI-LEWJYISDSA-N 1 0 451.611 4.789 20 0 JJADRO Cc1csc(Cn2c(-c3ccccc3Cl)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001492649526 1066756442 /nfs/dbraw/zinc/75/64/42/1066756442.db2.gz GTUCJXBMCNVRKQ-UHFFFAOYSA-N 1 0 459.063 4.970 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545990774 1066757488 /nfs/dbraw/zinc/75/74/88/1066757488.db2.gz YFNOPCORUYCSGB-FYYLOGMGSA-N 1 0 487.664 4.727 20 0 JJADRO COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001446952246 1066758125 /nfs/dbraw/zinc/75/81/25/1066758125.db2.gz BGWUEJDYRUEOQT-KKUQBAQOSA-N 1 0 462.634 4.648 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546086949 1066758282 /nfs/dbraw/zinc/75/82/82/1066758282.db2.gz BVTYOAHSWNXCSZ-PHVLTXCSSA-N 1 0 499.700 4.724 20 0 JJADRO Cc1csc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[NH+](CC(C)C)CC2)n1 ZINC001492651481 1066758770 /nfs/dbraw/zinc/75/87/70/1066758770.db2.gz RYOQOAVUAJSTCX-UHFFFAOYSA-N 1 0 477.103 4.815 20 0 JJADRO CCCc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nnn1-c1cccc(C(C)C)c1 ZINC001457095149 1066760819 /nfs/dbraw/zinc/76/08/19/1066760819.db2.gz LJZYMVINWCKXGW-PXDATVDWSA-N 1 0 459.638 4.984 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)cc2)CC1 ZINC001446979052 1066760777 /nfs/dbraw/zinc/76/07/77/1066760777.db2.gz GXUOZCAAPWHACB-UHFFFAOYSA-N 1 0 454.571 4.522 20 0 JJADRO Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)n1 ZINC001492652905 1066761392 /nfs/dbraw/zinc/76/13/92/1066761392.db2.gz QNMQKXWVQIJZHY-NHCUHLMSSA-N 1 0 487.762 4.716 20 0 JJADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001457100507 1066761384 /nfs/dbraw/zinc/76/13/84/1066761384.db2.gz UCYDNPJSBPRTML-SFTDATJTSA-N 1 0 457.665 4.814 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546087277 1066761400 /nfs/dbraw/zinc/76/14/00/1066761400.db2.gz JGEUJQSOSVBLCI-QHCPKHFHSA-N 1 0 494.453 4.584 20 0 JJADRO Cc1nc(C)c(CCn2c(C(C)C)nnc2N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)s1 ZINC001492654966 1066764778 /nfs/dbraw/zinc/76/47/78/1066764778.db2.gz IQWKLGBUENBBRD-IBGZPJMESA-N 1 0 452.672 4.818 20 0 JJADRO Cc1nc(C)c(CCn2c(C(C)C)nnc2N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)s1 ZINC001492654967 1066764790 /nfs/dbraw/zinc/76/47/90/1066764790.db2.gz IQWKLGBUENBBRD-LJQANCHMSA-N 1 0 452.672 4.818 20 0 JJADRO Cc1nc(C)c(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](CC(C)C)CC2)s1 ZINC001492655425 1066766341 /nfs/dbraw/zinc/76/63/41/1066766341.db2.gz QTBNARQOFWNBFN-LJQANCHMSA-N 1 0 486.661 4.651 20 0 JJADRO CCCN(C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001457135109 1066769643 /nfs/dbraw/zinc/76/96/43/1066769643.db2.gz ZQFHYKATLVNJPF-OREGWCPLSA-N 1 0 455.643 4.583 20 0 JJADRO Cc1nc(C)c(Cn2c(-c3ccccc3Br)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492657939 1066771920 /nfs/dbraw/zinc/77/19/20/1066771920.db2.gz GJYNRKHOAAYQBQ-UHFFFAOYSA-N 1 0 489.487 4.750 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447103031 1066773330 /nfs/dbraw/zinc/77/33/30/1066773330.db2.gz LJQZJJUCOGLUBJ-IIMDRIAPSA-N 1 0 468.013 4.672 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546087657 1066774195 /nfs/dbraw/zinc/77/41/95/1066774195.db2.gz QDRLLWZWOWCKEA-XMMPIXPASA-N 1 0 490.490 4.753 20 0 JJADRO Cc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107073 1066774176 /nfs/dbraw/zinc/77/41/76/1066774176.db2.gz SAUVCBJFHGNTGU-FDDCHVKYSA-N 1 0 453.945 4.978 20 0 JJADRO Cc1nc(C)c(Cn2c(-c3ccc(Br)s3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492659036 1066774583 /nfs/dbraw/zinc/77/45/83/1066774583.db2.gz OGYFYWCGXAILGN-UHFFFAOYSA-N 1 0 495.516 4.811 20 0 JJADRO Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492660489 1066777904 /nfs/dbraw/zinc/77/79/04/1066777904.db2.gz PAMAAFGNKFRQQG-UHFFFAOYSA-N 1 0 475.062 4.553 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001492661013 1066779230 /nfs/dbraw/zinc/77/92/30/1066779230.db2.gz BJJQLFAZTRLMBT-HOTGVXAUSA-N 1 0 460.598 4.594 20 0 JJADRO Cc1nc(-c2cc3c(s2)CCN(c2nnc(CC(C)C)n2CC[N@H+](C)C(C)C)C3)cs1 ZINC001492660841 1066779304 /nfs/dbraw/zinc/77/93/04/1066779304.db2.gz WTKJSUKFQBFCHA-UHFFFAOYSA-N 1 0 458.701 4.873 20 0 JJADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3C)CC2)c1 ZINC001447163063 1066779371 /nfs/dbraw/zinc/77/93/71/1066779371.db2.gz JDAZOHLYQUZNCN-UHFFFAOYSA-N 1 0 452.599 4.801 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@H](c2ccco2)[NH+](C)C)cs1 ZINC001492662879 1066782817 /nfs/dbraw/zinc/78/28/17/1066782817.db2.gz ZDLWSPXOYJJWGP-QAPCUYQASA-N 1 0 456.641 4.789 20 0 JJADRO Cc1nc([C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC[NH+](C(C)C)C(C)C)CCO2)no1 ZINC001492662991 1066782919 /nfs/dbraw/zinc/78/29/19/1066782919.db2.gz PJQYDHJLVGSUOG-HSZRJFAPSA-N 1 0 495.672 4.631 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n2CC(C)C)cs1 ZINC001492663765 1066784006 /nfs/dbraw/zinc/78/40/06/1066784006.db2.gz JFZRTJIIRNLVKQ-CVDCTZTESA-N 1 0 452.672 4.779 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001492664485 1066785003 /nfs/dbraw/zinc/78/50/03/1066785003.db2.gz LEVYFRDEJKTVJM-MSOLQXFVSA-N 1 0 473.716 4.595 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3ccccc3)n2CC(C)(C)C[NH+]2CCCC2)cs1 ZINC001492664463 1066785097 /nfs/dbraw/zinc/78/50/97/1066785097.db2.gz KFGNCZXQUNMCPE-HXUWFJFHSA-N 1 0 466.699 4.996 20 0 JJADRO O=C(CCc1nc2cc(Br)ccc2s1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001457197718 1066786222 /nfs/dbraw/zinc/78/62/22/1066786222.db2.gz LXFOFUFXNBBTNH-UHFFFAOYSA-N 1 0 450.446 4.905 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC001492665935 1066789000 /nfs/dbraw/zinc/78/90/00/1066789000.db2.gz CQSZYDOXOGLEMX-XDHUDOTRSA-N 1 0 456.660 4.682 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001492666013 1066789042 /nfs/dbraw/zinc/78/90/42/1066789042.db2.gz DNSPVVRSIFPUDO-OAQYLSRUSA-N 1 0 474.625 4.669 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001492666052 1066789400 /nfs/dbraw/zinc/78/94/00/1066789400.db2.gz FTHXDPGIUPUWHN-ROUUACIJSA-N 1 0 485.702 4.633 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC001492666088 1066789474 /nfs/dbraw/zinc/78/94/74/1066789474.db2.gz GTPVABFDPKILPS-QMHKHESXSA-N 1 0 473.716 4.546 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)cs1 ZINC001492666447 1066791410 /nfs/dbraw/zinc/79/14/10/1066791410.db2.gz UJMPEECFWKCZPW-JOCHJYFZSA-N 1 0 474.625 4.669 20 0 JJADRO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(COC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001545994672 1066793915 /nfs/dbraw/zinc/79/39/15/1066793915.db2.gz DJPIZMFFBKDDCC-DEOSSOPVSA-N 1 0 453.675 4.566 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCO[C@@H]3c3ccccc3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001492667893 1066794911 /nfs/dbraw/zinc/79/49/11/1066794911.db2.gz RWKNBRWZTRCYLX-WIOPSUGQSA-N 1 0 482.698 4.578 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CC3CC(F)C3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cs1 ZINC001492667818 1066794998 /nfs/dbraw/zinc/79/49/98/1066794998.db2.gz PWEZKFDVADWJBC-OCDPCBSRSA-N 1 0 470.662 4.948 20 0 JJADRO C[C@H]1C[C@H](NC(=O)COc2ccc(Br)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001457237230 1066796312 /nfs/dbraw/zinc/79/63/12/1066796312.db2.gz HLPNYDDOIIHUBF-MAUKXSAKSA-N 1 0 451.792 4.651 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCc3ccccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001492668759 1066796995 /nfs/dbraw/zinc/79/69/95/1066796995.db2.gz WVDPREKVPWEZFX-JOCHJYFZSA-N 1 0 470.662 4.572 20 0 JJADRO CCCOc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c(OCc2ccccc2)c1 ZINC001447354848 1066797490 /nfs/dbraw/zinc/79/74/90/1066797490.db2.gz HHRWBKQVJXBRJP-ZCYQVOJMSA-N 1 0 454.636 4.706 20 0 JJADRO Cc1sc(Br)c(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)cn2)c1C ZINC001457264073 1066798654 /nfs/dbraw/zinc/79/86/54/1066798654.db2.gz DJRYCBZPBNKESS-UHFFFAOYSA-N 1 0 452.805 4.998 20 0 JJADRO Cc1nc(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2Cc2cccc(C[NH+](C)C)c2)cs1 ZINC001492672073 1066803959 /nfs/dbraw/zinc/80/39/59/1066803959.db2.gz MKDUUDXFOBCSDH-UHFFFAOYSA-N 1 0 464.683 4.926 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCC(C)(C)[NH2+]C(C)(C)C3)[C@H]2c2cccs2)cc1 ZINC001457316683 1066809283 /nfs/dbraw/zinc/80/92/83/1066809283.db2.gz ZIZYAMYGTKQQON-REWPJTCUSA-N 1 0 453.652 4.920 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccccc2OCC(C)C)cs1 ZINC001492675706 1066811407 /nfs/dbraw/zinc/81/14/07/1066811407.db2.gz HXIFIWZWHAYUPP-UHFFFAOYSA-N 1 0 482.698 4.684 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(OC(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001492675528 1066812525 /nfs/dbraw/zinc/81/25/25/1066812525.db2.gz BIYBDKAPHRZPQJ-FQEVSTJZSA-N 1 0 474.719 4.682 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(OC(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001492675529 1066812710 /nfs/dbraw/zinc/81/27/10/1066812710.db2.gz BIYBDKAPHRZPQJ-HXUWFJFHSA-N 1 0 474.719 4.682 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C)c2ccc(F)cc2)cs1 ZINC001492675591 1066813211 /nfs/dbraw/zinc/81/32/11/1066813211.db2.gz DAZXWXLLEZGAFQ-QGZVFWFLSA-N 1 0 456.635 4.543 20 0 JJADRO CN1CC[NH+](CC2(C)CCN(C(=O)/C=C\c3cccc(-c4ccc(Cl)cc4)c3)CC2)CC1 ZINC001447488252 1066814628 /nfs/dbraw/zinc/81/46/28/1066814628.db2.gz QYAWUXMUTAVCJR-WDZFZDKYSA-N 1 0 452.042 4.896 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001492676839 1066814622 /nfs/dbraw/zinc/81/46/22/1066814622.db2.gz POEIHCXBKZWERD-QZTJIDSGSA-N 1 0 470.609 4.533 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001492676841 1066814854 /nfs/dbraw/zinc/81/48/54/1066814854.db2.gz POEIHCXBKZWERD-ZWKOTPCHSA-N 1 0 470.609 4.533 20 0 JJADRO CC[C@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001447498066 1066815390 /nfs/dbraw/zinc/81/53/90/1066815390.db2.gz LLLIIGJBOPSBPF-WNMGUVTHSA-N 1 0 453.671 4.755 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001492677161 1066815530 /nfs/dbraw/zinc/81/55/30/1066815530.db2.gz XLWVBGIUQYOYSL-SJLPKXTDSA-N 1 0 466.646 4.626 20 0 JJADRO CC[C@H]1CN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001447501689 1066816084 /nfs/dbraw/zinc/81/60/84/1066816084.db2.gz SIVRHMLCMUPOFE-XTEPFMGCSA-N 1 0 458.602 4.812 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492677176 1066816073 /nfs/dbraw/zinc/81/60/73/1066816073.db2.gz YDTROWLYXKTVEC-RXVVDRJESA-N 1 0 458.701 4.871 20 0 JJADRO CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001545997063 1066818915 /nfs/dbraw/zinc/81/89/15/1066818915.db2.gz JEDJSVSIKGKMLM-ILBGXUMGSA-N 1 0 453.675 4.551 20 0 JJADRO CC(C)([C@@H](NC(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001447550562 1066820076 /nfs/dbraw/zinc/82/00/76/1066820076.db2.gz BOHVHXOVKCQJPM-QFIPXVFZSA-N 1 0 456.537 4.594 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](c4nc(C)c(C)s4)C3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492679325 1066821990 /nfs/dbraw/zinc/82/19/90/1066821990.db2.gz ZIZLVSHCBYTPOI-LJQANCHMSA-N 1 0 487.743 4.679 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492679487 1066821999 /nfs/dbraw/zinc/82/19/99/1066821999.db2.gz FFNFAAAYKIKHKU-NFBKMPQASA-N 1 0 488.746 4.786 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2ccc(Cl)s2)cs1 ZINC001492680769 1066823190 /nfs/dbraw/zinc/82/31/90/1066823190.db2.gz ZBWKDINCQSSGPX-UHFFFAOYSA-N 1 0 465.092 4.512 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCOc2ccccc2C)cs1 ZINC001492680984 1066823734 /nfs/dbraw/zinc/82/37/34/1066823734.db2.gz HOEYBGMZLHCNIH-UHFFFAOYSA-N 1 0 496.725 4.970 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](c2ccccc2)[NH+](C)C)cs1 ZINC001492681933 1066824889 /nfs/dbraw/zinc/82/48/89/1066824889.db2.gz LFTJNUZTPLTCMX-GJZUVCINSA-N 1 0 482.698 4.578 20 0 JJADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001447580971 1066825387 /nfs/dbraw/zinc/82/53/87/1066825387.db2.gz FKFVPVNYLNRALW-JOCHJYFZSA-N 1 0 453.007 4.988 20 0 JJADRO Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492683603 1066826641 /nfs/dbraw/zinc/82/66/41/1066826641.db2.gz CTUAUWXMBSGPGY-KDURUIRLSA-N 1 0 476.760 4.724 20 0 JJADRO Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001492683604 1066826709 /nfs/dbraw/zinc/82/67/09/1066826709.db2.gz CTUAUWXMBSGPGY-OALUTQOASA-N 1 0 476.760 4.724 20 0 JJADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC001457421873 1066827914 /nfs/dbraw/zinc/82/79/14/1066827914.db2.gz LDJNKQJBKWZTOA-QFIPXVFZSA-N 1 0 455.606 4.737 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cs1 ZINC001492684077 1066827925 /nfs/dbraw/zinc/82/79/25/1066827925.db2.gz QPLRQUGDMGOHRU-ZHRMCQFGSA-N 1 0 476.760 4.722 20 0 JJADRO Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccccc3C[N@@H+](C)C(C)C)C2)no1 ZINC001492685073 1066829109 /nfs/dbraw/zinc/82/91/09/1066829109.db2.gz OSOSIMZYIYIPFL-JOCHJYFZSA-N 1 0 493.700 4.906 20 0 JJADRO C[C@@H](CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)[NH+]1CCCCC1 ZINC001447618893 1066829787 /nfs/dbraw/zinc/82/97/87/1066829787.db2.gz IZSOSPUCFSMHEH-KRWDZBQOSA-N 1 0 458.400 4.696 20 0 JJADRO Cc1nc(C[C@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)C2)no1 ZINC001492686256 1066830892 /nfs/dbraw/zinc/83/08/92/1066830892.db2.gz XDYCSBCUCYNPMY-JTHBVZDNSA-N 1 0 495.672 4.526 20 0 JJADRO Cc1nc(C[C@@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)C2)no1 ZINC001492686255 1066830937 /nfs/dbraw/zinc/83/09/37/1066830937.db2.gz XDYCSBCUCYNPMY-GMAHTHKFSA-N 1 0 495.672 4.526 20 0 JJADRO Cc1nc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)cs1 ZINC001492687519 1066833107 /nfs/dbraw/zinc/83/31/07/1066833107.db2.gz ZFTJXPCWXDMGBL-QGZVFWFLSA-N 1 0 489.089 5.000 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCO1 ZINC001546091471 1066839032 /nfs/dbraw/zinc/83/90/32/1066839032.db2.gz QJPBLZAQWKYVOW-JIPXPUAJSA-N 1 0 462.642 4.783 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCO1 ZINC001546091473 1066839118 /nfs/dbraw/zinc/83/91/18/1066839118.db2.gz QJPBLZAQWKYVOW-ZBLYBZFDSA-N 1 0 462.642 4.783 20 0 JJADRO CC[C@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCCC1 ZINC001545998840 1066839829 /nfs/dbraw/zinc/83/98/29/1066839829.db2.gz CDKQANJIYORCEF-JOCHJYFZSA-N 1 0 483.458 4.537 20 0 JJADRO Cc1nc2ccccc2n1CCCn1c(CC(C)C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001492694539 1066839956 /nfs/dbraw/zinc/83/99/56/1066839956.db2.gz OCLGCZSWEOZKSU-UHFFFAOYSA-N 1 0 465.690 4.782 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+](C)C(C)C)cs1 ZINC001492694957 1066840454 /nfs/dbraw/zinc/84/04/54/1066840454.db2.gz NAIJPXQEONSMEU-LJQANCHMSA-N 1 0 492.491 4.872 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)[NH+](C)C)cs1 ZINC001492695123 1066840893 /nfs/dbraw/zinc/84/08/93/1066840893.db2.gz PAGRJPMAGDAWCV-VWKPWSFCSA-N 1 0 458.607 4.614 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCC[NH+](C)C)cs1 ZINC001492695262 1066841626 /nfs/dbraw/zinc/84/16/26/1066841626.db2.gz VDECUCGDASSYLM-HXUWFJFHSA-N 1 0 495.480 4.937 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC001457503326 1066844572 /nfs/dbraw/zinc/84/45/72/1066844572.db2.gz LQLOGHNUILDPPP-HEIUKZKOSA-N 1 0 450.623 4.786 20 0 JJADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC001447714968 1066845909 /nfs/dbraw/zinc/84/59/09/1066845909.db2.gz SLGQOZDRMJTIBV-KXBFYZLASA-N 1 0 458.430 4.844 20 0 JJADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)C1 ZINC001457516682 1066849055 /nfs/dbraw/zinc/84/90/55/1066849055.db2.gz QJWYJRRXTGVIBE-KRWDZBQOSA-N 1 0 452.382 4.754 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001492697900 1066849500 /nfs/dbraw/zinc/84/95/00/1066849500.db2.gz HSLGWLFSGGZRQD-NRFANRHFSA-N 1 0 470.662 4.777 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)s1 ZINC001492698148 1066850305 /nfs/dbraw/zinc/85/03/05/1066850305.db2.gz OHOYWIOVBBFIHN-UHFFFAOYSA-N 1 0 474.625 4.670 20 0 JJADRO Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)s1 ZINC001492698709 1066852395 /nfs/dbraw/zinc/85/23/95/1066852395.db2.gz IYUTYLPRPCZKDJ-QHAWAJNXSA-N 1 0 488.727 4.962 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCC(C)CC2)s1 ZINC001492699060 1066854184 /nfs/dbraw/zinc/85/41/84/1066854184.db2.gz WKZHSTZPXAOXJO-UHFFFAOYSA-N 1 0 475.062 4.644 20 0 JJADRO Cc1cc(Br)c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1Br ZINC001447757022 1066854390 /nfs/dbraw/zinc/85/43/90/1066854390.db2.gz AEGAXEVWUXXSFX-UHFFFAOYSA-N 1 0 454.206 4.554 20 0 JJADRO Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3CC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001492701817 1066859368 /nfs/dbraw/zinc/85/93/68/1066859368.db2.gz IANJJCJVJHRFLD-OAQYLSRUSA-N 1 0 495.741 4.573 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)CC(=O)c3ccccc3F)c(OCC)c2)CC1 ZINC001447801928 1066861495 /nfs/dbraw/zinc/86/14/95/1066861495.db2.gz JEJNAZNFKGLFHS-IBGZPJMESA-N 1 0 455.574 4.604 20 0 JJADRO Cc1ccc(OCCC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(Br)c1 ZINC001457564623 1066863469 /nfs/dbraw/zinc/86/34/69/1066863469.db2.gz KIUUIECQWBRPHM-OALUTQOASA-N 1 0 459.428 4.799 20 0 JJADRO COc1ccc(CCC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(Br)c1 ZINC001457567713 1066864708 /nfs/dbraw/zinc/86/47/08/1066864708.db2.gz RFSUDFBIMYTYCC-ROUUACIJSA-N 1 0 459.428 4.663 20 0 JJADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(F)(F)c1cccc(Br)c1 ZINC001457568064 1066865282 /nfs/dbraw/zinc/86/52/82/1066865282.db2.gz SULWCGBECJXOCM-HOTGVXAUSA-N 1 0 451.355 4.814 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC001457568974 1066865897 /nfs/dbraw/zinc/86/58/97/1066865897.db2.gz YNDJTZIGOYPROA-WOJBJXKFSA-N 1 0 451.611 4.944 20 0 JJADRO CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NCC2([NH+](C)C)CCC2)c1=S ZINC001447867435 1066872292 /nfs/dbraw/zinc/87/22/92/1066872292.db2.gz PUNPIBWPIZJNKL-UHFFFAOYSA-N 1 0 450.052 4.525 20 0 JJADRO CCn1cc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(=O)c2cc(Cl)ccc21 ZINC001457593196 1066874151 /nfs/dbraw/zinc/87/41/51/1066874151.db2.gz AKBSQRLGYSWIDF-UHFFFAOYSA-N 1 0 451.998 4.659 20 0 JJADRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cnn1-c1cccc(Br)c1 ZINC001457610100 1066877388 /nfs/dbraw/zinc/87/73/88/1066877388.db2.gz KISBMEQMCDTFKQ-NRFANRHFSA-N 1 0 459.432 4.718 20 0 JJADRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC001457608672 1066877440 /nfs/dbraw/zinc/87/74/40/1066877440.db2.gz FZADYJWENIBCSL-MRXNPFEDSA-N 1 0 451.949 4.633 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+]1CCC(C)CC1 ZINC001492717344 1066884369 /nfs/dbraw/zinc/88/43/69/1066884369.db2.gz ROFQRRWYVVANIA-UHFFFAOYSA-N 1 0 488.055 4.846 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492718119 1066885978 /nfs/dbraw/zinc/88/59/78/1066885978.db2.gz UDMPOQMCEHQXCX-QZTJIDSGSA-N 1 0 470.065 4.706 20 0 JJADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001457630602 1066886085 /nfs/dbraw/zinc/88/60/85/1066886085.db2.gz QNUCTQPGAQNHKD-RTWAWAEBSA-N 1 0 455.357 4.780 20 0 JJADRO CCOc1ccc([C@H](NC(=O)CCCN2CC[NH+](C(C)C)CC2)c2cccc(Cl)c2)cc1 ZINC001546002192 1066890475 /nfs/dbraw/zinc/89/04/75/1066890475.db2.gz CBEINJHPNKRPTP-SANMLTNESA-N 1 0 458.046 4.751 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)Cc1csc(NC2(C)CCCC2)n1)c1cccc(C(F)(F)F)c1 ZINC001448062392 1066895064 /nfs/dbraw/zinc/89/50/64/1066895064.db2.gz HWDSYEWEGQVUQS-SFHVURJKSA-N 1 0 454.562 4.868 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)CCOc1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001448061726 1066895111 /nfs/dbraw/zinc/89/51/11/1066895111.db2.gz GYQYXUOPRWDVMK-KRWDZBQOSA-N 1 0 459.306 4.656 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001448068831 1066895802 /nfs/dbraw/zinc/89/58/02/1066895802.db2.gz SCRIAFLTPXEMKK-MRXNPFEDSA-N 1 0 454.399 4.726 20 0 JJADRO Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448069479 1066896480 /nfs/dbraw/zinc/89/64/80/1066896480.db2.gz SWIDBCIQALAWNO-IBGZPJMESA-N 1 0 450.892 4.886 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)n1 ZINC001492729051 1066898827 /nfs/dbraw/zinc/89/88/27/1066898827.db2.gz SPHSCXLXRYJVGA-IMSXRSKXSA-N 1 0 469.722 4.989 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(CCc4ccccc4)n3CC[NH+](C(C)C)C(C)C)C2)n1 ZINC001492731206 1066902094 /nfs/dbraw/zinc/90/20/94/1066902094.db2.gz NVNQNPXPBUFZSH-AREMUKBSSA-N 1 0 477.701 4.837 20 0 JJADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001448125978 1066902597 /nfs/dbraw/zinc/90/25/97/1066902597.db2.gz SYBKJSAFRJCRRQ-HSZRJFAPSA-N 1 0 451.611 4.871 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492731934 1066903742 /nfs/dbraw/zinc/90/37/42/1066903742.db2.gz HDUYWADPXQUACP-NHCUHLMSSA-N 1 0 485.627 4.736 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001492732162 1066904205 /nfs/dbraw/zinc/90/42/05/1066904205.db2.gz JZXGYDKVNQIGJB-OALUTQOASA-N 1 0 469.684 4.763 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)n1 ZINC001492732228 1066904580 /nfs/dbraw/zinc/90/45/80/1066904580.db2.gz LQVZMUVMNYUVTL-GGAORHGYSA-N 1 0 461.614 4.541 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n2CCC(C)(F)F)n1 ZINC001492733267 1066907060 /nfs/dbraw/zinc/90/70/60/1066907060.db2.gz GPPZDQOXZRQTQR-OFNKIYASSA-N 1 0 485.627 4.674 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492733519 1066907594 /nfs/dbraw/zinc/90/75/94/1066907594.db2.gz MBLHICPZEISIGA-HMXGKDEJSA-N 1 0 455.695 4.809 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(OC)c2)cc1Cl ZINC001457752713 1066911640 /nfs/dbraw/zinc/91/16/40/1066911640.db2.gz KHPWPBBUVKKASS-UHFFFAOYSA-N 1 0 452.382 4.716 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)CCC[C@H]12 ZINC001448232595 1066912058 /nfs/dbraw/zinc/91/20/58/1066912058.db2.gz CDHCLSCSBDCCHU-BCQCSXDESA-N 1 0 455.643 4.583 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CC=CCC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492737681 1066912781 /nfs/dbraw/zinc/91/27/81/1066912781.db2.gz BCHDLVDJLYDNED-WRALFONMSA-N 1 0 467.706 4.690 20 0 JJADRO CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001546003992 1066913933 /nfs/dbraw/zinc/91/39/33/1066913933.db2.gz UPZWLZDDYVFFGN-IBGZPJMESA-N 1 0 470.609 4.677 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001492743261 1066918807 /nfs/dbraw/zinc/91/88/07/1066918807.db2.gz NWQNXXMRNMMADM-HSZRJFAPSA-N 1 0 467.706 4.690 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCc2ccc(Cl)cc2)n1 ZINC001492746164 1066921327 /nfs/dbraw/zinc/92/13/27/1066921327.db2.gz JRFZHYXDAYYVMO-UHFFFAOYSA-N 1 0 484.092 4.592 20 0 JJADRO CN(C(=O)COc1ccc2cc(Br)ccc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001457798244 1066923006 /nfs/dbraw/zinc/92/30/06/1066923006.db2.gz SYRBCBHMVCRWRS-JOCHJYFZSA-N 1 0 453.380 4.714 20 0 JJADRO CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001546005610 1066924104 /nfs/dbraw/zinc/92/41/04/1066924104.db2.gz GAFOGFVCIXWVQU-QFIPXVFZSA-N 1 0 488.721 4.769 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC001448406914 1066924580 /nfs/dbraw/zinc/92/45/80/1066924580.db2.gz SCFHWBZUSPTKBE-DQEYMECFSA-N 1 0 452.982 4.762 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492751372 1066926432 /nfs/dbraw/zinc/92/64/32/1066926432.db2.gz ZJKMHCFQCQNWDJ-PCCBWWKXSA-N 1 0 455.695 4.523 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2cccc(C(C)(F)F)c2)n1 ZINC001492751379 1066926461 /nfs/dbraw/zinc/92/64/61/1066926461.db2.gz ZMKSWLWKRXKZIL-UHFFFAOYSA-N 1 0 485.627 4.610 20 0 JJADRO CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC001546005937 1066926419 /nfs/dbraw/zinc/92/64/19/1066926419.db2.gz MBVAREGNIRWBNP-ICDZXHCJSA-N 1 0 453.675 4.579 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2CCC(F)(F)CC2)n1 ZINC001492753322 1066926713 /nfs/dbraw/zinc/92/67/13/1066926713.db2.gz UMNBQVQHSHTNED-UHFFFAOYSA-N 1 0 477.648 4.523 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492754168 1066926926 /nfs/dbraw/zinc/92/69/26/1066926926.db2.gz RYZGHHLDTPLEFB-TYPXCFOJSA-N 1 0 499.748 4.539 20 0 JJADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1cccc(OC(F)(F)F)c1 ZINC001457832281 1066930329 /nfs/dbraw/zinc/93/03/29/1066930329.db2.gz KIRLCPHUBQOZCR-UHFFFAOYSA-N 1 0 457.290 4.742 20 0 JJADRO Cc1ccc(/C=C\c2cc(C(=O)NC[C@@H](C)C[NH+](C)C)c3cc(Br)ccc3n2)o1 ZINC001457847228 1066931963 /nfs/dbraw/zinc/93/19/63/1066931963.db2.gz QYCUTSHSYAPXIX-SOIVGHGOSA-N 1 0 456.384 4.997 20 0 JJADRO CC1(C)CCC[N@H+](CCNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1 ZINC001448510425 1066935040 /nfs/dbraw/zinc/93/50/40/1066935040.db2.gz QHVZESYUZBXPKE-UHFFFAOYSA-N 1 0 458.400 4.553 20 0 JJADRO Cc1nnc(CCCn2c(-c3ccccc3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC001492765378 1066936500 /nfs/dbraw/zinc/93/65/00/1066936500.db2.gz FLGWZYXZNAWSOS-UHFFFAOYSA-N 1 0 467.687 4.604 20 0 JJADRO Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC001492766250 1066938576 /nfs/dbraw/zinc/93/85/76/1066938576.db2.gz GLYSJWKJHJRKEX-NZQKXSOJSA-N 1 0 481.714 4.759 20 0 JJADRO Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492775509 1066946222 /nfs/dbraw/zinc/94/62/22/1066946222.db2.gz BHGLLALXVZPDTR-UZLBHIALSA-N 1 0 452.416 4.618 20 0 JJADRO Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001492788525 1066949933 /nfs/dbraw/zinc/94/99/33/1066949933.db2.gz SPWNZQRTTAUPIA-HXUWFJFHSA-N 1 0 498.897 4.512 20 0 JJADRO Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492799566 1066953102 /nfs/dbraw/zinc/95/31/02/1066953102.db2.gz IDHXCURUXWMFTN-KHCICDEESA-N 1 0 460.066 4.558 20 0 JJADRO CC[C@]1(C)CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546095784 1066953245 /nfs/dbraw/zinc/95/32/45/1066953245.db2.gz UDIJKZNUBYBRJJ-ZEQKJWHPSA-N 1 0 457.638 4.524 20 0 JJADRO C[C@H]1CN(C(=O)c2cc(Br)ccc2OC(F)F)[C@@H](C)CN1Cc1ccccc1 ZINC001458000105 1066955397 /nfs/dbraw/zinc/95/53/97/1066955397.db2.gz LNVGJCHQWXVXQX-GJZGRUSLSA-N 1 0 453.327 4.786 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001458005127 1066955783 /nfs/dbraw/zinc/95/57/83/1066955783.db2.gz QDDIFQAICKIOKF-KOVSNXQUSA-N 1 0 457.659 4.972 20 0 JJADRO Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001492842214 1066956602 /nfs/dbraw/zinc/95/66/02/1066956602.db2.gz ANVRXCPYTMRACT-MRXNPFEDSA-N 1 0 456.582 4.568 20 0 JJADRO Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001492843618 1066956624 /nfs/dbraw/zinc/95/66/24/1066956624.db2.gz HZCPJJZMNYBOBK-FUHWJXTLSA-N 1 0 482.551 4.888 20 0 JJADRO Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1Cc1sccc1Br ZINC001492846730 1066957107 /nfs/dbraw/zinc/95/71/07/1066957107.db2.gz HBVFBAMPTBPVEE-DOTOQJQBSA-N 1 0 452.466 4.550 20 0 JJADRO Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1Cc1sccc1Br ZINC001492846739 1066957217 /nfs/dbraw/zinc/95/72/17/1066957217.db2.gz HBVFBAMPTBPVEE-RDJZCZTQSA-N 1 0 452.466 4.550 20 0 JJADRO Cc1ccc(OCCC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001458057888 1066963477 /nfs/dbraw/zinc/96/34/77/1066963477.db2.gz IQXABMZHWSKUHG-CTNGQTDRSA-N 1 0 459.428 4.943 20 0 JJADRO CO[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001458059867 1066964358 /nfs/dbraw/zinc/96/43/58/1066964358.db2.gz QCYHSWNYZHFLBN-SYNHAJSKSA-N 1 0 451.430 4.615 20 0 JJADRO COc1cccc(C(=O)c2ccc(C(=O)NCC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458061995 1066964855 /nfs/dbraw/zinc/96/48/55/1066964855.db2.gz XCPZUGQGPBOQSF-GGAORHGYSA-N 1 0 456.586 4.957 20 0 JJADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC)[C@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702466 1066965203 /nfs/dbraw/zinc/96/52/03/1066965203.db2.gz DADDWUBJKSBORR-HYBUGGRVSA-N 1 0 452.595 4.547 20 0 JJADRO CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+]1CCCC1 ZINC001546010507 1066969703 /nfs/dbraw/zinc/96/97/03/1066969703.db2.gz MVHFXXDLUVMNCL-NEKDWFFYSA-N 1 0 483.701 4.990 20 0 JJADRO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545719746 1066973434 /nfs/dbraw/zinc/97/34/34/1066973434.db2.gz LMGLQOYFJSRTIP-KZMUEFLRSA-N 1 0 494.728 4.824 20 0 JJADRO CC[C@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545719645 1066973615 /nfs/dbraw/zinc/97/36/15/1066973615.db2.gz KDILCDCSPCMSIT-ZDXQCDESSA-N 1 0 496.744 4.927 20 0 JJADRO CC[C@H](c1nnc(N(C)C2CCCCC2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545720132 1066974446 /nfs/dbraw/zinc/97/44/46/1066974446.db2.gz RKIWRKJDADKNKB-DEOSSOPVSA-N 1 0 452.691 4.615 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2c(C)noc2C)n1C[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545721541 1066975745 /nfs/dbraw/zinc/97/57/45/1066975745.db2.gz BTRCLACRDWKHKQ-DHIUTWEWSA-N 1 0 450.631 4.936 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2scnc2C)n1CC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545722024 1066976797 /nfs/dbraw/zinc/97/67/97/1066976797.db2.gz MBSYCPZPIXMQGE-UGKGYDQZSA-N 1 0 452.672 4.953 20 0 JJADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 ZINC001458113158 1066979397 /nfs/dbraw/zinc/97/93/97/1066979397.db2.gz LLKRQKXUZFAEBF-MBNYWOFBSA-N 1 0 453.290 4.547 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC001449048560 1066979530 /nfs/dbraw/zinc/97/95/30/1066979530.db2.gz QKRSSLOYYYAANC-ROWZVZMSSA-N 1 0 470.657 4.957 20 0 JJADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 ZINC001458113174 1066979822 /nfs/dbraw/zinc/97/98/22/1066979822.db2.gz LLKRQKXUZFAEBF-YRGRVCCFSA-N 1 0 453.290 4.547 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1)c1ccccc1 ZINC001545724019 1066979903 /nfs/dbraw/zinc/97/99/03/1066979903.db2.gz KPQRNXQRTXESAD-BWMVHXPSSA-N 1 0 494.728 4.635 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001545724015 1066980124 /nfs/dbraw/zinc/98/01/24/1066980124.db2.gz KNTUJINXAKWQAZ-KSEOMHKRSA-N 1 0 453.656 4.657 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545724403 1066980857 /nfs/dbraw/zinc/98/08/57/1066980857.db2.gz PWRLIQBPRLQRHP-IBGZPJMESA-N 1 0 493.681 4.755 20 0 JJADRO CC[C@H](c1nnc(N(C)CCC(F)(F)F)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545726858 1066984239 /nfs/dbraw/zinc/98/42/39/1066984239.db2.gz YPDBEVCXXGFKAD-GHTZIAJQSA-N 1 0 455.594 4.646 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(Cc3ccsc3)n2Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC001546097342 1066984990 /nfs/dbraw/zinc/98/49/90/1066984990.db2.gz IXEHMFPGDVOMEF-SANMLTNESA-N 1 0 467.683 4.824 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cc1)C(C)C ZINC001458139012 1066985847 /nfs/dbraw/zinc/98/58/47/1066985847.db2.gz GSFCTEHVTWJSKP-JOCHJYFZSA-N 1 0 454.615 4.783 20 0 JJADRO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1=O ZINC001449165179 1066986672 /nfs/dbraw/zinc/98/66/72/1066986672.db2.gz QFTNTQVAMYDBLQ-TYPHKJRUSA-N 1 0 456.030 4.668 20 0 JJADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001449171580 1066987383 /nfs/dbraw/zinc/98/73/83/1066987383.db2.gz XFNBQOVXHHDJJM-ICSRJNTNSA-N 1 0 454.055 4.677 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730567 1066987811 /nfs/dbraw/zinc/98/78/11/1066987811.db2.gz BQIXXGSWKNPKGO-CNNODRBYSA-N 1 0 484.595 4.784 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545731899 1066992034 /nfs/dbraw/zinc/99/20/34/1066992034.db2.gz UUSWAGQKGGTGGE-RMTZWNOUSA-N 1 0 480.745 4.966 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545731884 1066992134 /nfs/dbraw/zinc/99/21/34/1066992134.db2.gz URGVKZUWPCEHNQ-ACUMWEPGSA-N 1 0 453.675 4.802 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCCC1 ZINC001546012375 1066992647 /nfs/dbraw/zinc/99/26/47/1066992647.db2.gz HMEJXDLBUIEEJR-JOCHJYFZSA-N 1 0 469.033 4.725 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001546012411 1066992950 /nfs/dbraw/zinc/99/29/50/1066992950.db2.gz ICTSALSXVHKQDK-SCTDSRPQSA-N 1 0 482.456 4.652 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732008 1066993300 /nfs/dbraw/zinc/99/33/00/1066993300.db2.gz WESHESPCHZGVSS-QNWVGRARSA-N 1 0 484.689 4.606 20 0 JJADRO Ic1ccc2ncnc(NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)c2c1 ZINC001458166783 1066994063 /nfs/dbraw/zinc/99/40/63/1066994063.db2.gz NGSSCWBKPINQPJ-KRWDZBQOSA-N 1 0 450.368 4.691 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(C)C)CC2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545734041 1066994296 /nfs/dbraw/zinc/99/42/96/1066994296.db2.gz MIDHAZBQMMNWDN-SANMLTNESA-N 1 0 466.718 4.720 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001545733623 1066995614 /nfs/dbraw/zinc/99/56/14/1066995614.db2.gz FHVKMZGHJUOHQT-JQYIIUTOSA-N 1 0 494.728 4.541 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545734129 1066996640 /nfs/dbraw/zinc/99/66/40/1066996640.db2.gz NQNXKGBZCJVMFY-RXVVDRJESA-N 1 0 479.591 4.898 20 0 JJADRO C[C@@H]([NH2+]C1(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)CCOCC1)c1ccccc1 ZINC001458174716 1066996816 /nfs/dbraw/zinc/99/68/16/1066996816.db2.gz GXTBFTFOQYJNNI-QGZVFWFLSA-N 1 0 457.500 4.869 20 0 JJADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001449308987 1066997390 /nfs/dbraw/zinc/99/73/90/1066997390.db2.gz MNSJWJYUBWMDRC-GDLZYMKVSA-N 1 0 455.646 4.679 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C(C)C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545734426 1066997581 /nfs/dbraw/zinc/99/75/81/1066997581.db2.gz SGWXPMXMCGPLQG-QLBJFCOMSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001545734526 1066997677 /nfs/dbraw/zinc/99/76/77/1066997677.db2.gz UTTHGIMAOAVXKZ-TZBSWOFLSA-N 1 0 494.728 4.539 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C(C)C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545734424 1066997731 /nfs/dbraw/zinc/99/77/31/1066997731.db2.gz SGWXPMXMCGPLQG-ICDZXHCJSA-N 1 0 453.675 4.803 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545735528 1066998934 /nfs/dbraw/zinc/99/89/34/1066998934.db2.gz CMNOESFOEITHDA-FTBPSBKWSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735945 1066999419 /nfs/dbraw/zinc/99/94/19/1066999419.db2.gz IXCGEWPFAIMIHZ-ZDXQCDESSA-N 1 0 453.675 4.944 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545736340 1067000116 /nfs/dbraw/zinc/00/01/16/1067000116.db2.gz PCXAJQHAZMFLEF-HSZRJFAPSA-N 1 0 492.634 4.626 20 0 JJADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001449336795 1067001635 /nfs/dbraw/zinc/00/16/35/1067001635.db2.gz ZJCVUHYEBOAQNA-RTWAWAEBSA-N 1 0 450.608 4.734 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@](C)(O)C(C)C)c1ccccc1 ZINC001545738156 1067002325 /nfs/dbraw/zinc/00/23/25/1067002325.db2.gz CTFNBIGSTFSBPJ-GYZWWNDVSA-N 1 0 453.675 4.539 20 0 JJADRO CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC001449355782 1067002750 /nfs/dbraw/zinc/00/27/50/1067002750.db2.gz LQAHMYILFLSZIC-RCZVLFRGSA-N 1 0 453.652 4.875 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545738702 1067003538 /nfs/dbraw/zinc/00/35/38/1067003538.db2.gz NESIUEBOJWGYQE-RPBOFIJWSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@H]1CCCOC1)c1ccccc1 ZINC001545739246 1067004831 /nfs/dbraw/zinc/00/48/31/1067004831.db2.gz WKSAZJNCPQRZIK-ZCYQVOJMSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC001545739404 1067005211 /nfs/dbraw/zinc/00/52/11/1067005211.db2.gz ZMHFIRKGXLKRHC-XNMGPUDCSA-N 1 0 494.728 4.541 20 0 JJADRO O=C(c1cc2ccccc2cc1O)N(CCn1ccnc1)Cc1ccccc1Br ZINC001449377380 1067005381 /nfs/dbraw/zinc/00/53/81/1067005381.db2.gz VZIKIOJDQAQTNP-UHFFFAOYSA-N 1 0 450.336 4.847 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](OC)C(C)C)c1ccccc1 ZINC001545740603 1067005392 /nfs/dbraw/zinc/00/53/92/1067005392.db2.gz ANMJEIUMYTWTBR-LOSJGSFVSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC(F)(F)Br)c1ccccc1 ZINC001545740646 1067005693 /nfs/dbraw/zinc/00/56/93/1067005693.db2.gz BHQPFGXDHLGGLK-SFHVURJKSA-N 1 0 470.406 4.775 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2ccc(I)cc21 ZINC001458229736 1067008289 /nfs/dbraw/zinc/00/82/89/1067008289.db2.gz PYBPZDGGKYXANP-HNAYVOBHSA-N 1 0 458.347 4.557 20 0 JJADRO CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001449414332 1067008630 /nfs/dbraw/zinc/00/86/30/1067008630.db2.gz PNZCLSLIDCYMPR-NRFANRHFSA-N 1 0 457.640 4.741 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545741837 1067008820 /nfs/dbraw/zinc/00/88/20/1067008820.db2.gz XNVUTCTYBBTUEQ-PKTZIBPZSA-N 1 0 484.689 4.606 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545741836 1067008908 /nfs/dbraw/zinc/00/89/08/1067008908.db2.gz XNVUTCTYBBTUEQ-GOTSBHOMSA-N 1 0 484.689 4.606 20 0 JJADRO CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001546014124 1067009034 /nfs/dbraw/zinc/00/90/34/1067009034.db2.gz BPDSBBFISLHIDM-IRLDBZIGSA-N 1 0 478.106 4.959 20 0 JJADRO Cc1nc2c(cnn2-c2ccccc2)c(N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC001458237868 1067009790 /nfs/dbraw/zinc/00/97/90/1067009790.db2.gz FDHGSVIHNDTQNU-UHFFFAOYSA-N 1 0 454.500 4.711 20 0 JJADRO COc1ccc(CCCCC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001458242599 1067010441 /nfs/dbraw/zinc/01/04/41/1067010441.db2.gz GMHVHJXCWRVQBH-CCDWMCETSA-N 1 0 450.623 4.834 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001545743886 1067010402 /nfs/dbraw/zinc/01/04/02/1067010402.db2.gz SLNYTXSCZGOBSA-QPPBQGQZSA-N 1 0 475.685 4.574 20 0 JJADRO CC[C@@H](Cn1c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001546014998 1067012586 /nfs/dbraw/zinc/01/25/86/1067012586.db2.gz RUIHJCZBNARFJW-QHCPKHFHSA-N 1 0 494.728 4.588 20 0 JJADRO CC[C@@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545745611 1067012590 /nfs/dbraw/zinc/01/25/90/1067012590.db2.gz DDYUXIGARRGOJL-UKILVPOCSA-N 1 0 466.718 4.720 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545746454 1067014384 /nfs/dbraw/zinc/01/43/84/1067014384.db2.gz PGEODZXAWMBXKA-YADHBBJMSA-N 1 0 493.618 4.834 20 0 JJADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC001449580886 1067015510 /nfs/dbraw/zinc/01/55/10/1067015510.db2.gz IBNXRHDHUDMTFX-JOCHJYFZSA-N 1 0 459.631 4.763 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H]2C(C)C)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545748741 1067018060 /nfs/dbraw/zinc/01/80/60/1067018060.db2.gz FEFHPVDPIVOWMR-SDHSZQHLSA-N 1 0 453.675 4.802 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001545748826 1067018498 /nfs/dbraw/zinc/01/84/98/1067018498.db2.gz GGWHXZULCRNXGS-SMIHKQSGSA-N 1 0 496.700 4.654 20 0 JJADRO O=C(c1ccccc1NCCc1ccc(Cl)cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001449663818 1067019276 /nfs/dbraw/zinc/01/92/76/1067019276.db2.gz UUYLMQRISGBPDF-UHFFFAOYSA-N 1 0 456.030 4.569 20 0 JJADRO COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc1)CO2 ZINC001458277605 1067019342 /nfs/dbraw/zinc/01/93/42/1067019342.db2.gz KGZNOPZISWMYNL-RDGATRHJSA-N 1 0 452.595 4.665 20 0 JJADRO COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc1)CO2 ZINC001458277624 1067019394 /nfs/dbraw/zinc/01/93/94/1067019394.db2.gz KGZNOPZISWMYNL-WIOPSUGQSA-N 1 0 452.595 4.665 20 0 JJADRO C[C@H]1CN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001449678849 1067019742 /nfs/dbraw/zinc/01/97/42/1067019742.db2.gz KJUXEQSRAWZEDN-GOSISDBHSA-N 1 0 457.018 4.854 20 0 JJADRO COC(=O)c1ccccc1CCC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001458279978 1067019910 /nfs/dbraw/zinc/01/99/10/1067019910.db2.gz MOBROCIRYRIHGD-XMMPIXPASA-N 1 0 452.595 4.824 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001545749817 1067021014 /nfs/dbraw/zinc/02/10/14/1067021014.db2.gz UKSNDTCQSYCNFJ-QLBJFCOMSA-N 1 0 494.728 4.683 20 0 JJADRO Cc1cn(CC(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)nc1C(F)(F)F ZINC001458287026 1067021979 /nfs/dbraw/zinc/02/19/79/1067021979.db2.gz ZNTAYKBDDZTFIZ-HXUWFJFHSA-N 1 0 452.521 4.629 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545750218 1067022350 /nfs/dbraw/zinc/02/23/50/1067022350.db2.gz ZMEMREZPRZOODJ-JIMJEQGWSA-N 1 0 494.728 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC001545750231 1067022783 /nfs/dbraw/zinc/02/27/83/1067022783.db2.gz ZQZRFCAMAPHDRK-LGPLSSKUSA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCCC1CCOCC1)c1ccccc1 ZINC001545751331 1067023489 /nfs/dbraw/zinc/02/34/89/1067023489.db2.gz DGEJAJFHOJMKLR-RUZDIDTESA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545751656 1067024939 /nfs/dbraw/zinc/02/49/39/1067024939.db2.gz JKNZCXYWVYTMCX-XMMPIXPASA-N 1 0 498.716 4.998 20 0 JJADRO CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545752548 1067028535 /nfs/dbraw/zinc/02/85/35/1067028535.db2.gz ZAKBIAORTOLDEM-AOYPEHQESA-N 1 0 494.728 4.635 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC001545753888 1067029635 /nfs/dbraw/zinc/02/96/35/1067029635.db2.gz AKWMBNUWAQUZEM-GVXSCFBNSA-N 1 0 496.700 4.607 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001545754447 1067030932 /nfs/dbraw/zinc/03/09/32/1067030932.db2.gz NCBGIKWHPPNUTJ-ISKFKSNPSA-N 1 0 496.700 4.609 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756114 1067033043 /nfs/dbraw/zinc/03/30/43/1067033043.db2.gz AWELBUQEDNLIFM-WOJBJXKFSA-N 1 0 467.580 4.708 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756112 1067033157 /nfs/dbraw/zinc/03/31/57/1067033157.db2.gz AWELBUQEDNLIFM-UXHICEINSA-N 1 0 467.580 4.708 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@H](F)COC)c1ccccc1 ZINC001545756762 1067034576 /nfs/dbraw/zinc/03/45/76/1067034576.db2.gz NLUYYBTYILGICL-LKCSTTETSA-N 1 0 457.638 4.505 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001545756960 1067034971 /nfs/dbraw/zinc/03/49/71/1067034971.db2.gz QPSQCHABSNTTCA-BKMJKUGQSA-N 1 0 480.701 4.532 20 0 JJADRO Cc1sc2nc(C)nc(SCC(=O)N[C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2c1C ZINC001458345906 1067037082 /nfs/dbraw/zinc/03/70/82/1067037082.db2.gz DDKYOLXPHMMABH-OXQOHEQNSA-N 1 0 454.665 4.735 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545758435 1067037403 /nfs/dbraw/zinc/03/74/03/1067037403.db2.gz HAARBKZAPLNMDF-QHCPKHFHSA-N 1 0 492.716 4.773 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCCCO1)c1ccccc1 ZINC001545758549 1067038597 /nfs/dbraw/zinc/03/85/97/1067038597.db2.gz IXEPADLYSSNTLL-DNQXCXABSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545758683 1067039601 /nfs/dbraw/zinc/03/96/01/1067039601.db2.gz LKCIPWOZNJXIFV-WIYYLYMNSA-N 1 0 472.559 4.813 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)CCC1 ZINC001449994852 1067040902 /nfs/dbraw/zinc/04/09/02/1067040902.db2.gz CVVHNCPXEUEBDM-UHFFFAOYSA-N 1 0 459.281 4.790 20 0 JJADRO CC[C@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545759342 1067042256 /nfs/dbraw/zinc/04/22/56/1067042256.db2.gz WNKVVJIIGDOKEH-GMAHTHKFSA-N 1 0 492.634 4.769 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1)c1ccccc1 ZINC001545759498 1067042839 /nfs/dbraw/zinc/04/28/39/1067042839.db2.gz YSQFSNSPFCFBLG-VBANMALSSA-N 1 0 488.671 4.718 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545760562 1067043651 /nfs/dbraw/zinc/04/36/51/1067043651.db2.gz FUMJFVNGETTWES-PEISPCAHSA-N 1 0 483.701 4.571 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545761193 1067044546 /nfs/dbraw/zinc/04/45/46/1067044546.db2.gz OFGNRDNUJCGORB-HFOXQMJASA-N 1 0 497.728 4.959 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001458372488 1067044883 /nfs/dbraw/zinc/04/48/83/1067044883.db2.gz XXZGTVRLBFKYPT-UHFFFAOYSA-N 1 0 457.500 4.665 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545761758 1067045422 /nfs/dbraw/zinc/04/54/22/1067045422.db2.gz WQDXMHLQNJYJOG-FCEUIQTBSA-N 1 0 479.591 4.708 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545761757 1067045454 /nfs/dbraw/zinc/04/54/54/1067045454.db2.gz WQDXMHLQNJYJOG-CEMLEFRQSA-N 1 0 479.591 4.708 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545761793 1067045661 /nfs/dbraw/zinc/04/56/61/1067045661.db2.gz XGDRGLPIZXAQFY-OSADXMDESA-N 1 0 453.675 4.944 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001545764688 1067049375 /nfs/dbraw/zinc/04/93/75/1067049375.db2.gz ZVOSQYJPQWMSAR-YIXXDRMTSA-N 1 0 453.675 4.947 20 0 JJADRO COc1ccc(-c2nc(C)sc2CC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC001450121522 1067051021 /nfs/dbraw/zinc/05/10/21/1067051021.db2.gz AZRPRQUMQGJGJN-OAQYLSRUSA-N 1 0 455.649 4.811 20 0 JJADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc(-c2ccc(Br)cc2)s1 ZINC001450117450 1067051153 /nfs/dbraw/zinc/05/11/53/1067051153.db2.gz OPFXSJYYUSRTJX-IBGZPJMESA-N 1 0 457.393 4.997 20 0 JJADRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)O[C@H](C)C2 ZINC001450126650 1067051301 /nfs/dbraw/zinc/05/13/01/1067051301.db2.gz JUBOEUXHKYOGGD-AAEGSUEWSA-N 1 0 454.636 4.653 20 0 JJADRO COc1ccc(-c2nc(C)sc2CC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC001450121495 1067051516 /nfs/dbraw/zinc/05/15/16/1067051516.db2.gz AZRPRQUMQGJGJN-NRFANRHFSA-N 1 0 455.649 4.811 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C[C@H]1C ZINC001458397146 1067051636 /nfs/dbraw/zinc/05/16/36/1067051636.db2.gz PQYKTHBMWIYEHA-SZPZYZBQSA-N 1 0 452.614 4.963 20 0 JJADRO CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)Oc1ccccc1F ZINC001546019592 1067052555 /nfs/dbraw/zinc/05/25/55/1067052555.db2.gz YKHNPTPAXYJQOM-ZJSXRUAMSA-N 1 0 473.637 4.683 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546100344 1067055074 /nfs/dbraw/zinc/05/50/74/1067055074.db2.gz XFTGWDJLGKQFFY-LSYYVWMOSA-N 1 0 467.702 4.827 20 0 JJADRO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)SC ZINC001545770940 1067056670 /nfs/dbraw/zinc/05/66/70/1067056670.db2.gz AISSJLZQGXLTRD-AEFFLSMTSA-N 1 0 495.535 4.641 20 0 JJADRO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CC(C)C)CC1)SC ZINC001545771315 1067057871 /nfs/dbraw/zinc/05/78/71/1067057871.db2.gz LTUYUKFQGIDIGZ-UHFFFAOYSA-N 1 0 497.551 4.746 20 0 JJADRO CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)SC ZINC001545771581 1067059265 /nfs/dbraw/zinc/05/92/65/1067059265.db2.gz TYDAGBIQOPPJME-NVXWUHKLSA-N 1 0 481.508 4.630 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N1CCC([NH2+]C(C)C)CC1)OC ZINC001545772616 1067060936 /nfs/dbraw/zinc/06/09/36/1067060936.db2.gz FUZKMAXYFQCRFY-UHFFFAOYSA-N 1 0 478.479 4.880 20 0 JJADRO COC(=O)Nc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC001458444991 1067061735 /nfs/dbraw/zinc/06/17/35/1067061735.db2.gz ASYZFOCOYHVRMM-BFUOFWGJSA-N 1 0 454.329 4.734 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001450233027 1067062050 /nfs/dbraw/zinc/06/20/50/1067062050.db2.gz FDRMLTONVXKBPU-CARWCEBDSA-N 1 0 455.643 4.726 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449863 1067064282 /nfs/dbraw/zinc/06/42/82/1067064282.db2.gz UCKINDYNAFWLBH-XOBRGWDASA-N 1 0 453.341 4.717 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449550 1067064457 /nfs/dbraw/zinc/06/44/57/1067064457.db2.gz RWOOYYVEURBXCW-NTKDMRAZSA-N 1 0 453.945 4.876 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C2CCCCC2)CC1)OC ZINC001545774067 1067064624 /nfs/dbraw/zinc/06/46/24/1067064624.db2.gz CKSJCDQMPWHJLL-UHFFFAOYSA-N 1 0 461.054 4.653 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458452005 1067066448 /nfs/dbraw/zinc/06/64/48/1067066448.db2.gz ZEOBQOQKNVQNFS-CYFREDJKSA-N 1 0 453.945 4.876 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OCc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458452013 1067066489 /nfs/dbraw/zinc/06/64/89/1067066489.db2.gz ZEOBQOQKNVQNFS-NTKDMRAZSA-N 1 0 453.945 4.876 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)/C=C(\C)c2cccs2)cc1OC ZINC001458467699 1067069613 /nfs/dbraw/zinc/06/96/13/1067069613.db2.gz IPVADJUKHNKPRQ-NTCAYCPXSA-N 1 0 450.004 4.524 20 0 JJADRO CCOc1ccc([C@H](O)C2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3cccc(C)c3)CC2)cc1 ZINC001450415993 1067078803 /nfs/dbraw/zinc/07/88/03/1067078803.db2.gz RPPDLMBIAGZXKJ-SXOMAYOGSA-N 1 0 450.623 4.720 20 0 JJADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001458530416 1067082396 /nfs/dbraw/zinc/08/23/96/1067082396.db2.gz JJPPHUBFMUWFLT-IBGZPJMESA-N 1 0 457.412 4.731 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)SC ZINC001545787993 1067083752 /nfs/dbraw/zinc/08/37/52/1067083752.db2.gz DRWMCXPPHZTUQH-OAQYLSRUSA-N 1 0 492.133 4.603 20 0 JJADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC001458536970 1067083865 /nfs/dbraw/zinc/08/38/65/1067083865.db2.gz LYHIOHBMTKXHRJ-FPOVZHCZSA-N 1 0 456.428 4.798 20 0 JJADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC001458537650 1067084118 /nfs/dbraw/zinc/08/41/18/1067084118.db2.gz LYHIOHBMTKXHRJ-TZIWHRDSSA-N 1 0 456.428 4.798 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)SC ZINC001545789516 1067086219 /nfs/dbraw/zinc/08/62/19/1067086219.db2.gz JWLWWVFODCWYLN-QFIPXVFZSA-N 1 0 471.715 4.864 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](C2CCCCC2)CC1)OC ZINC001545789810 1067086476 /nfs/dbraw/zinc/08/64/76/1067086476.db2.gz USZYIORZGSLRMR-UHFFFAOYSA-N 1 0 469.674 4.537 20 0 JJADRO CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546102120 1067087734 /nfs/dbraw/zinc/08/77/34/1067087734.db2.gz RQJWIWHYDDHWBS-FRHFFMSDSA-N 1 0 489.749 4.959 20 0 JJADRO CCC(CC)(Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)SC ZINC001545791401 1067088906 /nfs/dbraw/zinc/08/89/06/1067088906.db2.gz QYAMJASELLNLCS-IRLDBZIGSA-N 1 0 471.715 4.667 20 0 JJADRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC001450546851 1067089296 /nfs/dbraw/zinc/08/92/96/1067089296.db2.gz RGEBMEPXZIZIHY-WIOPSUGQSA-N 1 0 452.643 4.700 20 0 JJADRO CCC(O)(CC)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001546024312 1067092019 /nfs/dbraw/zinc/09/20/19/1067092019.db2.gz AHANPZFEXRUXAY-UHFFFAOYSA-N 1 0 453.631 4.801 20 0 JJADRO CCC(CC)[C@@H](CCn1c(-c2cccn2C)nnc1N1CC[NH+](C2CCCCC2)CC1)OC ZINC001545797930 1067098076 /nfs/dbraw/zinc/09/80/76/1067098076.db2.gz CEASCOKSBBHTMS-XMMPIXPASA-N 1 0 456.679 4.580 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628488 1067098360 /nfs/dbraw/zinc/09/83/60/1067098360.db2.gz JLHVBMHWLRMOMY-LAUBAEHRSA-N 1 0 453.380 4.618 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626496 1067098612 /nfs/dbraw/zinc/09/86/12/1067098612.db2.gz HGNAAGYZKYEKQK-UTKZUKDTSA-N 1 0 458.002 4.866 20 0 JJADRO CCC(CC)[C@@H](CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545800863 1067108035 /nfs/dbraw/zinc/10/80/35/1067108035.db2.gz NPDOFOPIOWJVIF-LLAFXHEGSA-N 1 0 456.679 4.815 20 0 JJADRO CCC(CC)[C@@H](CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545801221 1067108780 /nfs/dbraw/zinc/10/87/80/1067108780.db2.gz SLJNVEQLMVPPMC-SIHRSVRCSA-N 1 0 475.722 4.714 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C)[NH+](C)C ZINC001545803800 1067114046 /nfs/dbraw/zinc/11/40/46/1067114046.db2.gz VDNVFSDHPZIJMO-HUVFLSCGSA-N 1 0 489.668 4.674 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001545803606 1067114054 /nfs/dbraw/zinc/11/40/54/1067114054.db2.gz QJXHMUQRJGSZKM-DEOSSOPVSA-N 1 0 487.652 4.586 20 0 JJADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC001545804885 1067116980 /nfs/dbraw/zinc/11/69/80/1067116980.db2.gz DEUGTISGACJODQ-IRXDYDNUSA-N 1 0 458.598 4.812 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001546026037 1067117679 /nfs/dbraw/zinc/11/76/79/1067117679.db2.gz ASXKHKMLFQEXMM-UHFFFAOYSA-N 1 0 452.018 4.599 20 0 JJADRO C=C1[NH+]=C(SCc2cc3n(n2)CCC3)N[C@H](c2ccc(SC)cc2)C1C(=O)OC(C)C ZINC001458724101 1067118246 /nfs/dbraw/zinc/11/82/46/1067118246.db2.gz AWCQTXBYOSCZAY-OAQYLSRUSA-N 1 0 456.637 4.711 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001545805154 1067118238 /nfs/dbraw/zinc/11/82/38/1067118238.db2.gz IIPMLPWNYOBAJD-SVMVAKDDSA-N 1 0 463.667 4.865 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001545805305 1067118745 /nfs/dbraw/zinc/11/87/45/1067118745.db2.gz LEMCMNANOIYYLN-UKDJSQQHSA-N 1 0 487.664 4.929 20 0 JJADRO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[NH+](C)C)cc1 ZINC001450776527 1067119079 /nfs/dbraw/zinc/11/90/79/1067119079.db2.gz ATXIFLWHLDMTME-ZEQRLZLVSA-N 1 0 453.627 4.870 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)C1)[NH+](C)C ZINC001545805387 1067119616 /nfs/dbraw/zinc/11/96/16/1067119616.db2.gz MJJGVZQIRVEFLF-GOSISDBHSA-N 1 0 457.516 4.758 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC(C)(C)[C@H]1C)[NH+](C)C ZINC001545805451 1067119687 /nfs/dbraw/zinc/11/96/87/1067119687.db2.gz NNQVXOYKJIWNIO-JQVVWYNYSA-N 1 0 475.653 4.927 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ncc(Cl)n1C)[NH+](C)C ZINC001545805464 1067119707 /nfs/dbraw/zinc/11/97/07/1067119707.db2.gz NRVHYGOMGONYCR-LJQANCHMSA-N 1 0 478.472 4.988 20 0 JJADRO CCC(CC)[C@H](Cn1c(C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001545805501 1067119743 /nfs/dbraw/zinc/11/97/43/1067119743.db2.gz OHNJKQDWNGQRDW-PMACEKPBSA-N 1 0 454.432 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(CC)C1)[NH+]1CCOCC1 ZINC001545805666 1067121038 /nfs/dbraw/zinc/12/10/38/1067121038.db2.gz QKDHQILQRKGIIO-RPLLCQBOSA-N 1 0 469.674 4.717 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC=C(C)CC1)[NH+]1CCOCC1 ZINC001545805875 1067121634 /nfs/dbraw/zinc/12/16/34/1067121634.db2.gz UDZZPBQNQKGVHB-HSZRJFAPSA-N 1 0 458.050 4.892 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001545805886 1067121685 /nfs/dbraw/zinc/12/16/85/1067121685.db2.gz UJLRIKDSUQAWAL-SFHVURJKSA-N 1 0 489.089 4.506 20 0 JJADRO Cc1ccccc1-n1ccnc1SCC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450793478 1067121733 /nfs/dbraw/zinc/12/17/33/1067121733.db2.gz VYVJMJOSVIVXLP-DEOSSOPVSA-N 1 0 450.652 4.890 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001545805983 1067122255 /nfs/dbraw/zinc/12/22/55/1067122255.db2.gz WJOOLDGRGPPNFQ-BKSPAHHJSA-N 1 0 469.674 4.573 20 0 JJADRO C[C@@H]1[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001450806768 1067124117 /nfs/dbraw/zinc/12/41/17/1067124117.db2.gz WVIDEPXKJUJTCY-CTNGQTDRSA-N 1 0 454.640 4.592 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCC1)[NH+]1CCOCC1 ZINC001545807201 1067124202 /nfs/dbraw/zinc/12/42/02/1067124202.db2.gz CUMYXINLOVDACR-DEOSSOPVSA-N 1 0 453.675 4.980 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@@H](SC)C1)[NH+]1CCOCC1 ZINC001545807254 1067124936 /nfs/dbraw/zinc/12/49/36/1067124936.db2.gz FBOPCZACAYDQAH-FGZHOGPDSA-N 1 0 475.703 4.705 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001545807233 1067125104 /nfs/dbraw/zinc/12/51/04/1067125104.db2.gz DOXALHLOSSIKTG-PXDATVDWSA-N 1 0 483.701 4.605 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001545807251 1067125140 /nfs/dbraw/zinc/12/51/40/1067125140.db2.gz DXEPWUAJODEMPN-NFBKMPQASA-N 1 0 484.689 4.757 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](COC)C1)[NH+](C)C ZINC001545807319 1067125567 /nfs/dbraw/zinc/12/55/67/1067125567.db2.gz GDKARAFVVATRGB-IIBYNOLFSA-N 1 0 452.018 4.577 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@H](C(C)C)C1)[NH+](C)C ZINC001545807538 1067127102 /nfs/dbraw/zinc/12/71/02/1067127102.db2.gz JXXGYBPYUVDRES-UXHICEINSA-N 1 0 465.111 4.938 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545807623 1067127450 /nfs/dbraw/zinc/12/74/50/1067127450.db2.gz LLQUKNQZYBFLFW-RTWAWAEBSA-N 1 0 488.677 4.706 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC(COC)CC1)[NH+](C)C ZINC001545807646 1067127596 /nfs/dbraw/zinc/12/75/96/1067127596.db2.gz LVWXEXISICSILS-QFIPXVFZSA-N 1 0 492.506 4.937 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@H]1C)[NH+](C)C ZINC001545807755 1067128209 /nfs/dbraw/zinc/12/82/09/1067128209.db2.gz NSNSDHHRNLYCSV-QRWLVFNGSA-N 1 0 498.897 4.953 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001450837848 1067129607 /nfs/dbraw/zinc/12/96/07/1067129607.db2.gz RJQZBHBSOMBTRH-LADGPHEKSA-N 1 0 451.611 4.671 20 0 JJADRO C[C@]1(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC(c2cccc(Cl)c2F)=NO1 ZINC001450838730 1067129670 /nfs/dbraw/zinc/12/96/70/1067129670.db2.gz BXVHDEFIBDNIMW-UQBPGWFLSA-N 1 0 457.977 4.781 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)NC)C1)[NH+](C)C ZINC001545808138 1067131648 /nfs/dbraw/zinc/13/16/48/1067131648.db2.gz SWWADTKPZKBVGJ-UWJYYQICSA-N 1 0 495.499 4.581 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C)CC1)[NH+](C)C ZINC001545808258 1067132945 /nfs/dbraw/zinc/13/29/45/1067132945.db2.gz VODKQDRXXWEELW-CVDCTZTESA-N 1 0 457.663 4.955 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C)CC1)[NH+](C)C ZINC001545808259 1067132990 /nfs/dbraw/zinc/13/29/90/1067132990.db2.gz VODKQDRXXWEELW-WMZHIEFXSA-N 1 0 457.663 4.955 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545808400 1067134363 /nfs/dbraw/zinc/13/43/63/1067134363.db2.gz XQRZMKATMSVXHV-ZRCGQRJVSA-N 1 0 475.628 4.810 20 0 JJADRO C[NH+](C)CC1(CNC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)CCCC1 ZINC001458765686 1067135397 /nfs/dbraw/zinc/13/53/97/1067135397.db2.gz DSGWQGMUZYCEJC-UHFFFAOYSA-N 1 0 450.623 4.552 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](c2ccccc2OC)C1)[NH+](C)C ZINC001545809686 1067136327 /nfs/dbraw/zinc/13/63/27/1067136327.db2.gz INUDMNWXPZRRFK-UPVQGACJSA-N 1 0 462.642 4.709 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC(c2nc(C)no2)CC1)[NH+](C)C ZINC001545809537 1067136350 /nfs/dbraw/zinc/13/63/50/1067136350.db2.gz FQPPVOYIJHZQTM-QHCPKHFHSA-N 1 0 465.646 4.695 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545809971 1067136921 /nfs/dbraw/zinc/13/69/21/1067136921.db2.gz NTVLTYDUUFFVJD-UGKGYDQZSA-N 1 0 488.652 4.554 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCc2cccc(F)c2[C@@H]1C)[NH+](C)C ZINC001545809864 1067137017 /nfs/dbraw/zinc/13/70/17/1067137017.db2.gz LSOWXUSTQDRNQJ-MBSDFSHPSA-N 1 0 450.606 4.969 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001545810499 1067138772 /nfs/dbraw/zinc/13/87/72/1067138772.db2.gz XJGUUTILMVJIPV-IRLDBZIGSA-N 1 0 469.703 4.799 20 0 JJADRO CN1CC[C@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001545811288 1067139497 /nfs/dbraw/zinc/13/94/97/1067139497.db2.gz RCHIUCLZEFEOEU-LPHOPBHVSA-N 1 0 450.739 4.898 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC001545811901 1067139648 /nfs/dbraw/zinc/13/96/48/1067139648.db2.gz FGHBDXDPHIUUDY-PWHSHALESA-N 1 0 466.630 4.580 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1)[NH+](C)C ZINC001545812399 1067140695 /nfs/dbraw/zinc/14/06/95/1067140695.db2.gz OEJHRYJRCBBICZ-VXKWHMMOSA-N 1 0 490.490 4.862 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC)(CC)C1)[NH+]1CCOCC1 ZINC001545812240 1067140793 /nfs/dbraw/zinc/14/07/93/1067140793.db2.gz KNAJWSJIIXUTKV-XMMPIXPASA-N 1 0 468.690 4.802 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1)[NH+](C)C ZINC001545812397 1067140822 /nfs/dbraw/zinc/14/08/22/1067140822.db2.gz OEJHRYJRCBBICZ-FCHUYYIVSA-N 1 0 490.490 4.862 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@H](C(C)C)C1)[NH+](C)C ZINC001545812591 1067141265 /nfs/dbraw/zinc/14/12/65/1067141265.db2.gz QXARJHAWWODCES-XUZZJYLKSA-N 1 0 493.700 4.524 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1scnc1C)[NH+](C)C ZINC001545814749 1067143047 /nfs/dbraw/zinc/14/30/47/1067143047.db2.gz GSPYKDVNXMCWDG-KNQAVFIVSA-N 1 0 484.670 4.558 20 0 JJADRO CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001458785731 1067146416 /nfs/dbraw/zinc/14/64/16/1067146416.db2.gz XWIVJXKXRKMMAP-GOSISDBHSA-N 1 0 459.384 4.865 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC=C(C(F)(F)F)CC1)[NH+](C)C ZINC001545817138 1067146504 /nfs/dbraw/zinc/14/65/04/1067146504.db2.gz FLWFBTACFLHOHM-OAQYLSRUSA-N 1 0 479.591 4.943 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccco1)[NH+]1CCOCC1 ZINC001545817224 1067147476 /nfs/dbraw/zinc/14/74/76/1067147476.db2.gz GQYPORQPPFJTGL-FGZHOGPDSA-N 1 0 457.663 4.938 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccco1)[NH+]1CCOCC1 ZINC001545817226 1067147879 /nfs/dbraw/zinc/14/78/79/1067147879.db2.gz GQYPORQPPFJTGL-YADHBBJMSA-N 1 0 457.663 4.938 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817230 1067148025 /nfs/dbraw/zinc/14/80/25/1067148025.db2.gz GRLNHCYGCCIJBD-ZCYQVOJMSA-N 1 0 464.633 4.763 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817335 1067148666 /nfs/dbraw/zinc/14/86/66/1067148666.db2.gz IMTJQLZOGILCLF-ILBGXUMGSA-N 1 0 464.633 4.763 20 0 JJADRO Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c2ccccc2)cc1 ZINC001451134330 1067148851 /nfs/dbraw/zinc/14/88/51/1067148851.db2.gz ROVJCUQCIAGXRH-VWLOTQADSA-N 1 0 459.590 4.744 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC001545817524 1067149877 /nfs/dbraw/zinc/14/98/77/1067149877.db2.gz LIBQQKNXZSPXNV-QHCPKHFHSA-N 1 0 477.644 4.918 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001545817577 1067150019 /nfs/dbraw/zinc/15/00/19/1067150019.db2.gz LXIRXEPMKYDUAD-PKTZIBPZSA-N 1 0 459.654 4.626 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC001545817594 1067150542 /nfs/dbraw/zinc/15/05/42/1067150542.db2.gz MBMOZKIHCJZFIW-NHCUHLMSSA-N 1 0 471.694 4.878 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCSC2(CCCCC2)C1)[NH+]1CCOCC1 ZINC001545817789 1067151207 /nfs/dbraw/zinc/15/12/07/1067151207.db2.gz PPGXYEWMBIRTLY-HSZRJFAPSA-N 1 0 477.763 4.870 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1)[NH+](C)C ZINC001545818282 1067152595 /nfs/dbraw/zinc/15/25/95/1067152595.db2.gz YXMDQRHGWJWZFN-QFIPXVFZSA-N 1 0 478.726 4.538 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)[NH+](C)C ZINC001545819167 1067153185 /nfs/dbraw/zinc/15/31/85/1067153185.db2.gz AWQCFPQLXIHATN-PKTZIBPZSA-N 1 0 469.703 4.643 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1)[NH+](C)C ZINC001545818322 1067153259 /nfs/dbraw/zinc/15/32/59/1067153259.db2.gz ZPGHEXJTZRICBT-RPBOFIJWSA-N 1 0 471.665 4.770 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCOCC1 ZINC001545819290 1067153589 /nfs/dbraw/zinc/15/35/89/1067153589.db2.gz COIQZBMLUUCOIX-ZEQKJWHPSA-N 1 0 467.702 4.827 20 0 JJADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cccn1-c1cccc(I)c1 ZINC001451208147 1067153927 /nfs/dbraw/zinc/15/39/27/1067153927.db2.gz HWNMOUOZHXLPNE-UHFFFAOYSA-N 1 0 459.331 4.704 20 0 JJADRO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@@H]([C@H]1CCOC1)C(F)(F)F)C(C)C ZINC001458818426 1067154308 /nfs/dbraw/zinc/15/43/08/1067154308.db2.gz XIHRDCZOHSSELZ-LPHOPBHVSA-N 1 0 457.562 4.575 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001546029630 1067155247 /nfs/dbraw/zinc/15/52/47/1067155247.db2.gz LMWGQZLOUWFLRC-NHCUHLMSSA-N 1 0 457.638 4.726 20 0 JJADRO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001451254692 1067156262 /nfs/dbraw/zinc/15/62/62/1067156262.db2.gz OGUPICGBQPOFOB-NZQKXSOJSA-N 1 0 453.602 4.920 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001545820108 1067157122 /nfs/dbraw/zinc/15/71/22/1067157122.db2.gz RCFDVODYONVPCT-REWPJTCUSA-N 1 0 459.704 4.782 20 0 JJADRO CC[C@@H]1CCCC[C@@H]1C(=O)NCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001451303700 1067158636 /nfs/dbraw/zinc/15/86/36/1067158636.db2.gz NQYIJYRAZJATJB-PKTZIBPZSA-N 1 0 457.659 4.879 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCc2c1cnn2C)[NH+](C)C ZINC001545820496 1067159275 /nfs/dbraw/zinc/15/92/75/1067159275.db2.gz YOPZTZKUUZKHFB-JTHBVZDNSA-N 1 0 469.703 4.544 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)C[C@@H]1CC)[NH+]1CCOCC1 ZINC001545820518 1067160014 /nfs/dbraw/zinc/16/00/14/1067160014.db2.gz YSMBDLSJNILVBG-VJBMBRPKSA-N 1 0 459.704 4.692 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001545821405 1067161243 /nfs/dbraw/zinc/16/12/43/1067161243.db2.gz CIEXVYLPXPTWHV-PWRODBHTSA-N 1 0 460.692 4.645 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2)CC1)[NH+](C)C ZINC001545822265 1067163686 /nfs/dbraw/zinc/16/36/86/1067163686.db2.gz XOMHVGBECNWUIV-TWJOJJKGSA-N 1 0 496.744 4.890 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1)[NH+](C)C ZINC001545822218 1067163697 /nfs/dbraw/zinc/16/36/97/1067163697.db2.gz WQZAAYHIQBGQKE-GUGJDKNPSA-N 1 0 461.676 4.524 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C(C)C)[NH+]1CCOCC1 ZINC001545822336 1067164274 /nfs/dbraw/zinc/16/42/74/1067164274.db2.gz ZTZWNCCQIZJZAV-XPWALMASSA-N 1 0 463.711 4.568 20 0 JJADRO Cc1cc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c2cnn(C(C)C)c2n1 ZINC001458841200 1067167573 /nfs/dbraw/zinc/16/75/73/1067167573.db2.gz YCKDZILOCLSVKV-QFIPXVFZSA-N 1 0 455.553 4.944 20 0 JJADRO CCc1csc(-n2cc(C(=O)N[C@H](c3ccc(F)c(F)c3)C(C)(C)[NH+]3CCCC3)cn2)n1 ZINC001458841210 1067168237 /nfs/dbraw/zinc/16/82/37/1067168237.db2.gz YFWDWQFBEKSDSS-HXUWFJFHSA-N 1 0 459.566 4.515 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1c1ccccc1F ZINC001451413321 1067169259 /nfs/dbraw/zinc/16/92/59/1067169259.db2.gz VNLUBWDOTNDNCH-SONWIMMPSA-N 1 0 481.612 4.524 20 0 JJADRO CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001546031323 1067172543 /nfs/dbraw/zinc/17/25/43/1067172543.db2.gz CSDLNMKILLFXCW-QFIPXVFZSA-N 1 0 468.690 4.681 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001545826998 1067177286 /nfs/dbraw/zinc/17/72/86/1067177286.db2.gz YQNPQCKGVFEBKB-NQIIRXRSSA-N 1 0 470.637 4.550 20 0 JJADRO COc1ccccc1-n1c(SCC[N@H+](C)Cc2ccc(F)cc2)nnc1N1CCCCC1 ZINC001458864857 1067177833 /nfs/dbraw/zinc/17/78/33/1067177833.db2.gz XRAMYGWHWDJHTJ-UHFFFAOYSA-N 1 0 455.603 4.629 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@H]1CCCCS1 ZINC001545830393 1067181740 /nfs/dbraw/zinc/18/17/40/1067181740.db2.gz TWQPWHQKPSYFSA-DNQXCXABSA-N 1 0 498.741 4.583 20 0 JJADRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccccc3NCc3ccccc3Cl)CC2)CC1 ZINC001451670305 1067185576 /nfs/dbraw/zinc/18/55/76/1067185576.db2.gz DAFKKXPVLHQGPY-UHFFFAOYSA-N 1 0 455.046 4.584 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1 ZINC001451873953 1067195917 /nfs/dbraw/zinc/19/59/17/1067195917.db2.gz NBYRKGTZYYWGMI-DSITVLBTSA-N 1 0 463.622 4.766 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001451879785 1067195930 /nfs/dbraw/zinc/19/59/30/1067195930.db2.gz VEDFDQZITNDPEE-SMIHKQSGSA-N 1 0 455.643 4.583 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001545848907 1067201646 /nfs/dbraw/zinc/20/16/46/1067201646.db2.gz HVJZRBAESWJNCM-STAYPELNSA-N 1 0 494.728 4.980 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545849381 1067202607 /nfs/dbraw/zinc/20/26/07/1067202607.db2.gz OCIIDLHPGFTKKL-PCCBWWKXSA-N 1 0 474.738 4.825 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545849947 1067204918 /nfs/dbraw/zinc/20/49/18/1067204918.db2.gz XAUYDSPBKYTWPH-DNRQZRRGSA-N 1 0 480.701 4.516 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001546105025 1067205364 /nfs/dbraw/zinc/20/53/64/1067205364.db2.gz RIKDTLMDWFROFD-UHFFFAOYSA-N 1 0 495.535 4.880 20 0 JJADRO Cc1ccc2nc(-c3cccs3)cc(C(=O)N3CCC(C[N@@H+](CCO)C(C)C)CC3)c2c1 ZINC001452063379 1067206050 /nfs/dbraw/zinc/20/60/50/1067206050.db2.gz CIEQSIWHBVKRJG-UHFFFAOYSA-N 1 0 451.636 4.827 20 0 JJADRO COC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001452093660 1067207188 /nfs/dbraw/zinc/20/71/88/1067207188.db2.gz KSAAQMPSGLRJES-UHFFFAOYSA-N 1 0 451.592 4.714 20 0 JJADRO O=C(CCc1cccc(OCc2ccccc2)c1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001458970745 1067213102 /nfs/dbraw/zinc/21/31/02/1067213102.db2.gz DKELNQQHXAPCMA-MUUNZHRXSA-N 1 0 458.602 4.606 20 0 JJADRO Cc1cc(F)ccc1-c1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC001458974588 1067214266 /nfs/dbraw/zinc/21/42/66/1067214266.db2.gz PDSKRWJJEZGOMH-HSZRJFAPSA-N 1 0 450.529 4.961 20 0 JJADRO CCC(O)(CC)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001546041591 1067239824 /nfs/dbraw/zinc/23/98/24/1067239824.db2.gz IDKKOYFEVCSGPD-UHFFFAOYSA-N 1 0 471.690 4.583 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)s2)cc1OC ZINC001459064383 1067242466 /nfs/dbraw/zinc/24/24/66/1067242466.db2.gz PWJAPLWOUIJZFK-KSFYIVLOSA-N 1 0 453.608 4.865 20 0 JJADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(I)c(Cl)c1)[NH+](C)C ZINC001459077919 1067246890 /nfs/dbraw/zinc/24/68/90/1067246890.db2.gz UVSSPCCMLLSDLN-SCLBCKFNSA-N 1 0 456.755 4.674 20 0 JJADRO COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001452766000 1067249660 /nfs/dbraw/zinc/24/96/60/1067249660.db2.gz LLXRKFLDWHVGGM-QGZVFWFLSA-N 1 0 454.061 4.537 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546045316 1067259603 /nfs/dbraw/zinc/25/96/03/1067259603.db2.gz NLIVNPNYNRUUNT-QSEAXJEQSA-N 1 0 469.674 4.913 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546045314 1067259663 /nfs/dbraw/zinc/25/96/63/1067259663.db2.gz NLIVNPNYNRUUNT-AZSVPQILSA-N 1 0 469.674 4.913 20 0 JJADRO Cc1cc(COc2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2Br)no1 ZINC001459150806 1067262043 /nfs/dbraw/zinc/26/20/43/1067262043.db2.gz UOXVQSDSBRUMPN-UHFFFAOYSA-N 1 0 458.356 4.681 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC001452980634 1067270101 /nfs/dbraw/zinc/27/01/01/1067270101.db2.gz YMEJVWGOLWNKSG-HYBUGGRVSA-N 1 0 451.611 4.661 20 0 JJADRO COc1cccc(N2CC[NH+](CCSCc3nc(-c4ccc(C(C)C)cc4)no3)CC2)c1 ZINC001459252480 1067277677 /nfs/dbraw/zinc/27/76/77/1067277677.db2.gz QXAVDEJSMYNGRL-UHFFFAOYSA-N 1 0 452.624 4.924 20 0 JJADRO CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[NH+](CC(C)C)CC2)O1 ZINC001546047850 1067282032 /nfs/dbraw/zinc/28/20/32/1067282032.db2.gz FDJOTFQMDPZKTA-NLFFAJNJSA-N 1 0 476.065 4.733 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[NH+](CC(C)C)CC2)O1 ZINC001546047849 1067282158 /nfs/dbraw/zinc/28/21/58/1067282158.db2.gz FDJOTFQMDPZKTA-NBGIEHNGSA-N 1 0 476.065 4.733 20 0 JJADRO CC[NH+]1CCN(c2cccc(NC(=O)c3csc(-c4ccc(OC(C)C)cc4)n3)c2)CC1 ZINC001459284428 1067282378 /nfs/dbraw/zinc/28/23/78/1067282378.db2.gz JDSOLMJOHVWIGC-UHFFFAOYSA-N 1 0 450.608 4.992 20 0 JJADRO COc1ccc(C[N@H+](C)CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1F ZINC001459307097 1067289098 /nfs/dbraw/zinc/28/90/98/1067289098.db2.gz AQLPIVISMLXKPW-XMMPIXPASA-N 1 0 456.583 4.684 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546048841 1067294492 /nfs/dbraw/zinc/29/44/92/1067294492.db2.gz QQNJMGWSPBAOER-FDDCHVKYSA-N 1 0 494.453 4.725 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC([NH2+]C(C)C)CC2)O1 ZINC001546049261 1067295395 /nfs/dbraw/zinc/29/53/95/1067295395.db2.gz XREQOHKMGRIWAI-NBGIEHNGSA-N 1 0 476.065 4.922 20 0 JJADRO CC[N@H+](CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(Cl)c(Cl)c1 ZINC001459341445 1067298278 /nfs/dbraw/zinc/29/82/78/1067298278.db2.gz FVVRERCTFPSLFL-UHFFFAOYSA-N 1 0 454.423 4.883 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001459347000 1067299720 /nfs/dbraw/zinc/29/97/20/1067299720.db2.gz BMYBEGVZXUOZKZ-LJQANCHMSA-N 1 0 453.421 4.828 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350428 1067300450 /nfs/dbraw/zinc/30/04/50/1067300450.db2.gz XQGGRMHTCNVDBP-AOYPEHQESA-N 1 0 452.595 4.861 20 0 JJADRO FC(F)(F)COCCC[NH+]1CCN(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)CC1 ZINC001459359001 1067302214 /nfs/dbraw/zinc/30/22/14/1067302214.db2.gz WUQRBAAYELZKJK-UHFFFAOYSA-N 1 0 452.304 4.735 20 0 JJADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386752 1067310294 /nfs/dbraw/zinc/31/02/94/1067310294.db2.gz ORCBUJABVFNHBW-LADGPHEKSA-N 1 0 451.655 4.639 20 0 JJADRO COc1cccc(S(=O)(=O)CC[N@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC001459388299 1067310755 /nfs/dbraw/zinc/31/07/55/1067310755.db2.gz AWLMZMQYLQIKED-DNVFCKCGSA-N 1 0 459.608 4.525 20 0 JJADRO COc1ccc(N=c2scc(CN3CCC[N@@H+](C(C)C)CC3)n2Cc2ccccc2)cc1 ZINC001459422713 1067321093 /nfs/dbraw/zinc/32/10/93/1067321093.db2.gz CVVASLYITLKBPI-UHFFFAOYSA-N 1 0 450.652 4.755 20 0 JJADRO CCOC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC001459423640 1067321702 /nfs/dbraw/zinc/32/17/02/1067321702.db2.gz FEGFNXGIVAXGHB-UHFFFAOYSA-N 1 0 452.551 4.611 20 0 JJADRO Fc1ccc([C@H]2CN(CCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)CCO2)cc1Cl ZINC001459425851 1067322685 /nfs/dbraw/zinc/32/26/85/1067322685.db2.gz LKANQSSWLJWSQF-HSZRJFAPSA-N 1 0 452.401 4.718 20 0 JJADRO O=C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459438095 1067324803 /nfs/dbraw/zinc/32/48/03/1067324803.db2.gz LWBSPLARBOLOGF-HXUWFJFHSA-N 1 0 454.640 4.527 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC001546054640 1067327706 /nfs/dbraw/zinc/32/77/06/1067327706.db2.gz PYOAWVFTXQHTHJ-JEYPMZLKSA-N 1 0 453.675 4.925 20 0 JJADRO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CCc1ccc(Br)cc1 ZINC001459471849 1067333930 /nfs/dbraw/zinc/33/39/30/1067333930.db2.gz XZMDUZFDLWYKOF-VIFPVBQESA-N 1 0 451.233 4.646 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001459490405 1067337532 /nfs/dbraw/zinc/33/75/32/1067337532.db2.gz OZHLBTPOVAAQFG-NRFANRHFSA-N 1 0 450.023 4.727 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561074 1067351743 /nfs/dbraw/zinc/35/17/43/1067351743.db2.gz CEYSZFLXEUSPCS-JTHBVZDNSA-N 1 0 456.428 4.507 20 0 JJADRO O=C(c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001459561551 1067351796 /nfs/dbraw/zinc/35/17/96/1067351796.db2.gz SDUWUSZYCJKCDM-MRXNPFEDSA-N 1 0 451.369 4.984 20 0 JJADRO COc1ccccc1-c1ccc([C@H](C)[N@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC001459580553 1067356796 /nfs/dbraw/zinc/35/67/96/1067356796.db2.gz AERSMYUSUYEBFT-IBGZPJMESA-N 1 0 450.604 4.996 20 0 JJADRO Brc1ccc(-c2nc(CN3CCC(OCC[NH+]4CCCC4)CC3)cs2)cc1 ZINC001459587685 1067357750 /nfs/dbraw/zinc/35/77/50/1067357750.db2.gz WYMHOOJXHYZKAI-UHFFFAOYSA-N 1 0 450.446 4.649 20 0 JJADRO CCc1ccc(-c2cc(NC(=O)CN(C)[C@H]3CC[N@@H+](CC)[C@H](C)C3)n(-c3ccccc3)n2)cc1 ZINC001459612438 1067364034 /nfs/dbraw/zinc/36/40/34/1067364034.db2.gz FOSLFPJFTDHEMJ-BWKNWUBXSA-N 1 0 459.638 4.845 20 0 JJADRO CCCCCC[N@H+](CCN1CCOCC1)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001459615503 1067364970 /nfs/dbraw/zinc/36/49/70/1067364970.db2.gz SHWNSKJMAVRHIK-UHFFFAOYSA-N 1 0 459.675 4.694 20 0 JJADRO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@@H]1c1ccccc1 ZINC001459624074 1067366740 /nfs/dbraw/zinc/36/67/40/1067366740.db2.gz CKWBHBDGVZOWRB-HLIPFELVSA-N 1 0 459.512 4.895 20 0 JJADRO CC[C@H]1C[N@H+](Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC001459627881 1067368055 /nfs/dbraw/zinc/36/80/55/1067368055.db2.gz PPVUYANZXZJFEY-UGKGYDQZSA-N 1 0 454.640 4.609 20 0 JJADRO Cc1cc(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)ccc1Br ZINC001459636808 1067369573 /nfs/dbraw/zinc/36/95/73/1067369573.db2.gz QDPMLWXWNPQGTI-HNNXBMFYSA-N 1 0 456.425 4.567 20 0 JJADRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC[C@@H]21 ZINC001459657879 1067373178 /nfs/dbraw/zinc/37/31/78/1067373178.db2.gz QVYPHIWONWGJRA-VGSWGCGISA-N 1 0 458.400 4.596 20 0 JJADRO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459668490 1067377454 /nfs/dbraw/zinc/37/74/54/1067377454.db2.gz HIEAUNUXGBUZQT-ODGPQVTHSA-N 1 0 454.611 4.558 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)CC1 ZINC001459670558 1067378537 /nfs/dbraw/zinc/37/85/37/1067378537.db2.gz RCJNLMPHWLSYQM-UHFFFAOYSA-N 1 0 455.643 4.537 20 0 JJADRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccc(F)cc1 ZINC001459677882 1067381272 /nfs/dbraw/zinc/38/12/72/1067381272.db2.gz QMYMSAHEWVRFFC-RTWAWAEBSA-N 1 0 452.492 4.683 20 0 JJADRO O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001459684613 1067382654 /nfs/dbraw/zinc/38/26/54/1067382654.db2.gz WUIGXRNDXYEZEM-UHFFFAOYSA-N 1 0 452.473 4.600 20 0 JJADRO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001459684496 1067382792 /nfs/dbraw/zinc/38/27/92/1067382792.db2.gz IMGMEOMMHCYFRB-BJKOFHAPSA-N 1 0 457.659 4.525 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@@H](c2ccc(CC(C)C)cc2)C(C)C)NC(=O)N[C@H]1c1ccco1 ZINC001459685622 1067383263 /nfs/dbraw/zinc/38/32/63/1067383263.db2.gz PHQXOJMHJVRFEE-RPWUZVMVSA-N 1 0 453.583 4.636 20 0 JJADRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCOc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001459693250 1067385825 /nfs/dbraw/zinc/38/58/25/1067385825.db2.gz FSVWALBCLFYJOD-UHFFFAOYSA-N 1 0 454.592 4.559 20 0 JJADRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC001459695227 1067386508 /nfs/dbraw/zinc/38/65/08/1067386508.db2.gz PQGGFYDEJUFUGT-IBGZPJMESA-N 1 0 454.558 4.687 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706987 1067390012 /nfs/dbraw/zinc/39/00/12/1067390012.db2.gz HHLXEWQSFHTJOW-MHECFPHRSA-N 1 0 452.549 4.592 20 0 JJADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC001459712461 1067392039 /nfs/dbraw/zinc/39/20/39/1067392039.db2.gz DOPAUKWBNKKEEN-LJQANCHMSA-N 1 0 455.755 4.626 20 0 JJADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716183 1067393730 /nfs/dbraw/zinc/39/37/30/1067393730.db2.gz UNRZQXLMZBHWBJ-MAUKXSAKSA-N 1 0 458.484 4.553 20 0 JJADRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459733557 1067399057 /nfs/dbraw/zinc/39/90/57/1067399057.db2.gz GXJMNXDYQAQGQU-UHFFFAOYSA-N 1 0 459.974 4.760 20 0 JJADRO CN(CCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459772626 1067416151 /nfs/dbraw/zinc/41/61/51/1067416151.db2.gz DTTUOJPICLANMW-FQEVSTJZSA-N 1 0 453.986 4.553 20 0 JJADRO C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782403 1067419457 /nfs/dbraw/zinc/41/94/57/1067419457.db2.gz YPXVFKQFVHRFTF-LVCYWYKZSA-N 1 0 450.023 4.629 20 0 JJADRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788375 1067422872 /nfs/dbraw/zinc/42/28/72/1067422872.db2.gz BODVOTWSWPFRQT-MBSDFSHPSA-N 1 0 454.018 4.868 20 0 JJADRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001459792852 1067425527 /nfs/dbraw/zinc/42/55/27/1067425527.db2.gz WDKWFECZMOBFBV-WDZJFXIESA-N 1 0 454.634 4.671 20 0 JJADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(SC(F)(F)F)c3)C2)cc1 ZINC001459795096 1067427007 /nfs/dbraw/zinc/42/70/07/1067427007.db2.gz JFUSJMRMWYEQEW-SFHVURJKSA-N 1 0 458.571 4.797 20 0 JJADRO COc1ccc(N=c2scc(C[N@@H+]3CCC[C@@](C)(CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001459798571 1067428711 /nfs/dbraw/zinc/42/87/11/1067428711.db2.gz SUWPDFJRUBXRGN-RXFWQSSRSA-N 1 0 451.636 4.994 20 0 JJADRO CC(C)([C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccc(F)c(F)c1)N1CCCC1 ZINC001459812893 1067434439 /nfs/dbraw/zinc/43/44/39/1067434439.db2.gz HKBUULJYWMRURJ-SFTDATJTSA-N 1 0 453.371 4.966 20 0 JJADRO COC(=O)c1c(NC(=O)C[NH2+][C@@H](CC(C)C)c2ccccc2OC)sc2c1CC[C@@H](C)C2 ZINC001459819904 1067438244 /nfs/dbraw/zinc/43/82/44/1067438244.db2.gz XEWXWLXPVSTKQC-APWZRJJASA-N 1 0 458.624 4.984 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001546112100 1067439193 /nfs/dbraw/zinc/43/91/93/1067439193.db2.gz CTGYTUFZHNJMNA-NRFANRHFSA-N 1 0 455.695 4.668 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)c(OC)c1 ZINC001459836727 1067446870 /nfs/dbraw/zinc/44/68/70/1067446870.db2.gz OXXLKGQQSNUOHT-ZJSXRUAMSA-N 1 0 458.574 4.590 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)c(OC)c1 ZINC001459836709 1067446907 /nfs/dbraw/zinc/44/69/07/1067446907.db2.gz OXXLKGQQSNUOHT-QPPBQGQZSA-N 1 0 458.574 4.590 20 0 JJADRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC001459837066 1067446949 /nfs/dbraw/zinc/44/69/49/1067446949.db2.gz UYQPDTQWRASQNA-QFIPXVFZSA-N 1 0 458.400 4.657 20 0 JJADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@H](COc2ccccc2F)c2ccccc2)n[nH]1 ZINC001459843624 1067450065 /nfs/dbraw/zinc/45/00/65/1067450065.db2.gz MDTNQWCNNUWJPG-HSZRJFAPSA-N 1 0 459.525 4.576 20 0 JJADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 ZINC001459843958 1067450496 /nfs/dbraw/zinc/45/04/96/1067450496.db2.gz YVADTEZDBSFYFJ-IERDGZPVSA-N 1 0 458.400 4.871 20 0 JJADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC001459845107 1067451209 /nfs/dbraw/zinc/45/12/09/1067451209.db2.gz QPXYPBNPOLLEGH-HSZRJFAPSA-N 1 0 459.030 4.890 20 0 JJADRO COc1cc([C@@H](C)[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)ccc1OCCC(C)C ZINC001459846601 1067452086 /nfs/dbraw/zinc/45/20/86/1067452086.db2.gz YPPBNCLBXLOUPM-KBMIEXCESA-N 1 0 450.620 4.533 20 0 JJADRO CC[C@H](C)[C@H]([NH2+]Cc1ccnc(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459847752 1067453040 /nfs/dbraw/zinc/45/30/40/1067453040.db2.gz BNPQWUCIRRBRLX-MBSDFSHPSA-N 1 0 458.444 4.830 20 0 JJADRO O=C(CC[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC001459848833 1067454135 /nfs/dbraw/zinc/45/41/35/1067454135.db2.gz TYQBPSKNSIKERA-LJQANCHMSA-N 1 0 453.892 4.641 20 0 JJADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccccc1OC(F)F ZINC001459849223 1067454700 /nfs/dbraw/zinc/45/47/00/1067454700.db2.gz AZWWOYPBIQXKTE-INIZCTEOSA-N 1 0 459.415 4.945 20 0 JJADRO CC[C@@H](C)[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459850851 1067455713 /nfs/dbraw/zinc/45/57/13/1067455713.db2.gz OLJDDRKVUWPTGM-CLOONOSVSA-N 1 0 456.030 4.764 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001546112263 1067456211 /nfs/dbraw/zinc/45/62/11/1067456211.db2.gz KIERMFJIKSQRDK-RUZDIDTESA-N 1 0 457.688 4.619 20 0 JJADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3cccc(-c4csc(C)n4)c3)ccc2NC1=O ZINC001459851775 1067456694 /nfs/dbraw/zinc/45/66/94/1067456694.db2.gz NKHIETCKFWUDAN-LHSJRXKWSA-N 1 0 450.564 4.517 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[NH2+][C@@H](COc3ccccc3)c3ccccc3)C2)C1 ZINC001459851750 1067456737 /nfs/dbraw/zinc/45/67/37/1067456737.db2.gz SCFPCMLJQCBDRK-ONBPZOJHSA-N 1 0 452.595 4.812 20 0 JJADRO CC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccccc1OC(F)F ZINC001459854240 1067458800 /nfs/dbraw/zinc/45/88/00/1067458800.db2.gz RSQXFZWIMMAPGL-OAHLLOKOSA-N 1 0 452.523 4.694 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001546112306 1067459914 /nfs/dbraw/zinc/45/99/14/1067459914.db2.gz MDNFERDBEBCOHP-DEOSSOPVSA-N 1 0 483.701 4.991 20 0 JJADRO Cc1cc(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864753 1067463596 /nfs/dbraw/zinc/46/35/96/1067463596.db2.gz USPGISHZTMQUMX-HOTGVXAUSA-N 1 0 458.384 4.643 20 0 JJADRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001459866197 1067464169 /nfs/dbraw/zinc/46/41/69/1067464169.db2.gz FMCPUKQVRJAUOL-GJZGRUSLSA-N 1 0 454.527 4.584 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(OC)cc2I)cc1)C(C)C ZINC001459871027 1067467397 /nfs/dbraw/zinc/46/73/97/1067467397.db2.gz KUEXHXBMVKJKKJ-UHFFFAOYSA-N 1 0 452.336 4.782 20 0 JJADRO COc1ccc(C(NC(=O)C[N@H+](C)CCc2ccc(Cl)cc2)c2ccc(OC)cc2)cc1 ZINC001459874099 1067468834 /nfs/dbraw/zinc/46/88/34/1067468834.db2.gz LZKVVEMXRLSUKS-UHFFFAOYSA-N 1 0 452.982 4.737 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001546112418 1067469866 /nfs/dbraw/zinc/46/98/66/1067469866.db2.gz QOAVCNAETUQXRI-HSZRJFAPSA-N 1 0 463.674 4.677 20 0 JJADRO COc1ccc(CN2CCCN(C(=O)C[NH2+][C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC001459882902 1067472337 /nfs/dbraw/zinc/47/23/37/1067472337.db2.gz KQCXCCRCUIQFQG-QHCPKHFHSA-N 1 0 457.618 4.747 20 0 JJADRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC001459885600 1067473140 /nfs/dbraw/zinc/47/31/40/1067473140.db2.gz VKIOAPMMTYIGLD-UHFFFAOYSA-N 1 0 451.954 4.870 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1ccc(SC(F)(F)F)nc1 ZINC001459892285 1067476318 /nfs/dbraw/zinc/47/63/18/1067476318.db2.gz CIWHHJDREJSJRZ-UHFFFAOYSA-N 1 0 455.502 4.753 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cc(F)c(F)cc1Br ZINC001459894808 1067477219 /nfs/dbraw/zinc/47/72/19/1067477219.db2.gz GXZAJUADDXUBMF-SJLPKXTDSA-N 1 0 451.355 4.892 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1coc(-c2c(F)cccc2F)n1 ZINC001459895866 1067477712 /nfs/dbraw/zinc/47/77/12/1067477712.db2.gz UDFLQDBYNKZPMQ-UHFFFAOYSA-N 1 0 457.477 4.679 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)COc1ccccc1C(F)(F)F ZINC001459896554 1067478294 /nfs/dbraw/zinc/47/82/94/1067478294.db2.gz ZFKNLHCPDNXZFB-UHFFFAOYSA-N 1 0 452.473 4.530 20 0 JJADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)oc21 ZINC001459901293 1067480331 /nfs/dbraw/zinc/48/03/31/1067480331.db2.gz NHAQWTHGVVWHRH-FXAWDEMLSA-N 1 0 452.551 4.863 20 0 JJADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)c(C)c2c1 ZINC001459904835 1067481857 /nfs/dbraw/zinc/48/18/57/1067481857.db2.gz OKAVEDKUFGIUCE-VGOFRKELSA-N 1 0 452.551 4.781 20 0 JJADRO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1 ZINC001459905520 1067482602 /nfs/dbraw/zinc/48/26/02/1067482602.db2.gz RBJTXEFYVNJLSA-UKRRQHHQSA-N 1 0 456.999 4.809 20 0 JJADRO Cc1ccc([C@@H](CC(F)(F)F)[NH2+]CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC001459905677 1067483045 /nfs/dbraw/zinc/48/30/45/1067483045.db2.gz LEJJHLVRAXAETA-MRXNPFEDSA-N 1 0 453.530 4.646 20 0 JJADRO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@@H](C)c2sc(-c3ccccc3Br)nc2C)C1 ZINC001459907266 1067483607 /nfs/dbraw/zinc/48/36/07/1067483607.db2.gz BZYXIEOZFIIGIO-SMDDNHRTSA-N 1 0 451.386 4.768 20 0 JJADRO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@H](C)c2sc(-c3ccccc3Br)nc2C)C1 ZINC001459907256 1067483663 /nfs/dbraw/zinc/48/36/63/1067483663.db2.gz BZYXIEOZFIIGIO-BXUZGUMPSA-N 1 0 451.386 4.768 20 0 JJADRO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001459911584 1067486877 /nfs/dbraw/zinc/48/68/77/1067486877.db2.gz XKQZYTHOTOGZAF-IFMALSPDSA-N 1 0 457.546 4.803 20 0 JJADRO C[C@@H]([NH2+]CC[C@@H]1Sc2ccccc2NC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC001459913298 1067487859 /nfs/dbraw/zinc/48/78/59/1067487859.db2.gz VLGCPIDLQLPVFY-PXAZEXFGSA-N 1 0 459.369 4.653 20 0 JJADRO CC[C@H]1CN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459918234 1067490423 /nfs/dbraw/zinc/49/04/23/1067490423.db2.gz XJLAEZCFRCIOFO-BJKOFHAPSA-N 1 0 459.556 4.793 20 0 JJADRO CCCCn1c(C[NH2+][C@@H](C)C2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459923316 1067493296 /nfs/dbraw/zinc/49/32/96/1067493296.db2.gz VCSHSBFMSNUWQA-IBGZPJMESA-N 1 0 451.615 4.596 20 0 JJADRO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC001459925236 1067494385 /nfs/dbraw/zinc/49/43/85/1067494385.db2.gz REEKDLYWNOYFAZ-MSOLQXFVSA-N 1 0 450.988 4.731 20 0 JJADRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001459928288 1067495506 /nfs/dbraw/zinc/49/55/06/1067495506.db2.gz ZEWZERDDIINCGQ-ONTIZHBOSA-N 1 0 452.668 4.944 20 0 JJADRO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001459930644 1067496020 /nfs/dbraw/zinc/49/60/20/1067496020.db2.gz KVBBFCPJPSXKGD-APWZRJJASA-N 1 0 450.501 4.779 20 0 JJADRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001459936599 1067499007 /nfs/dbraw/zinc/49/90/07/1067499007.db2.gz QIKPONYDNOIOGF-MRXNPFEDSA-N 1 0 456.468 4.950 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947886 1067502905 /nfs/dbraw/zinc/50/29/05/1067502905.db2.gz YOHPBGPOBGOQGU-QPPBQGQZSA-N 1 0 456.030 4.899 20 0 JJADRO CC(C)[C@](C)([NH2+]CC(=O)N[C@@H](C)Cc1c(F)cccc1F)c1ccc(Br)cc1 ZINC001459949279 1067503898 /nfs/dbraw/zinc/50/38/98/1067503898.db2.gz KPNDQVIWWXXYLI-NYHFZMIOSA-N 1 0 453.371 4.936 20 0 JJADRO CC(C)N1C(=O)C[C@@H]([NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459950769 1067504287 /nfs/dbraw/zinc/50/42/87/1067504287.db2.gz OSESNFQXOOAYSS-SLCLVBLPSA-N 1 0 468.013 4.813 20 0 JJADRO CC(C)N1C(=O)C[C@H]([NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459950724 1067504379 /nfs/dbraw/zinc/50/43/79/1067504379.db2.gz OSESNFQXOOAYSS-CYENHQDDSA-N 1 0 468.013 4.813 20 0 JJADRO CC(C)[C@H](CNC(=O)C[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 ZINC001459951500 1067504772 /nfs/dbraw/zinc/50/47/72/1067504772.db2.gz CAZRDQUOFZIJOV-QHCPKHFHSA-N 1 0 457.659 4.656 20 0 JJADRO CC[C@@H](C[N@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001459959587 1067507503 /nfs/dbraw/zinc/50/75/03/1067507503.db2.gz DJOVXKVXZFOOEU-AWEZNQCLSA-N 1 0 451.803 4.584 20 0 JJADRO CO[C@H](C)c1noc(CN2CCCC[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959511 1067507682 /nfs/dbraw/zinc/50/76/82/1067507682.db2.gz COQQSPNQXYJHTF-HMXCVIKNSA-N 1 0 458.603 4.515 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3C[C@]3(C)c3cccc(Br)c3)cc2)CC1 ZINC001459961065 1067508412 /nfs/dbraw/zinc/50/84/12/1067508412.db2.gz PCQHHFHGFAMFOW-LADGPHEKSA-N 1 0 457.412 4.516 20 0 JJADRO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)C1=O ZINC001459961830 1067508761 /nfs/dbraw/zinc/50/87/61/1067508761.db2.gz LZOPUGLVYNDIDC-WBAXXEDZSA-N 1 0 452.498 4.585 20 0 JJADRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001459965479 1067510095 /nfs/dbraw/zinc/51/00/95/1067510095.db2.gz IMKBGUJHQYQQBW-FCHUYYIVSA-N 1 0 456.384 4.585 20 0 JJADRO CC[C@H]([NH2+]CC(=O)Nc1nc2c(cccc2OC)s1)c1cc(F)cc(Br)c1 ZINC001459966249 1067510387 /nfs/dbraw/zinc/51/03/87/1067510387.db2.gz YXOLLBJQKOJLGC-AWEZNQCLSA-N 1 0 452.349 4.886 20 0 JJADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC001459978262 1067513603 /nfs/dbraw/zinc/51/36/03/1067513603.db2.gz CVTZFERDLZWLPB-HYBUGGRVSA-N 1 0 459.428 4.978 20 0 JJADRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001459981770 1067515212 /nfs/dbraw/zinc/51/52/12/1067515212.db2.gz BHZCTSHDDVCGSW-WOIUINJBSA-N 1 0 459.512 4.684 20 0 JJADRO Cc1ccc(CN(Cc2ccco2)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c(Br)c1 ZINC001460005315 1067523650 /nfs/dbraw/zinc/52/36/50/1067523650.db2.gz CYGSBINTGAZGRA-QFIPXVFZSA-N 1 0 457.412 4.846 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CCCC1 ZINC001460022851 1067531893 /nfs/dbraw/zinc/53/18/93/1067531893.db2.gz BMGXZESPYOGPSZ-QHCPKHFHSA-N 1 0 458.647 4.679 20 0 JJADRO COc1ccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c(Br)c1OC ZINC001460033243 1067535005 /nfs/dbraw/zinc/53/50/05/1067535005.db2.gz XISDYIJXFNVNCT-MRXNPFEDSA-N 1 0 457.409 4.639 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@@H](C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)C1 ZINC001460036887 1067536182 /nfs/dbraw/zinc/53/61/82/1067536182.db2.gz XSVJBKDGBPLBGG-QHCPKHFHSA-N 1 0 459.631 4.662 20 0 JJADRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042112 1067536955 /nfs/dbraw/zinc/53/69/55/1067536955.db2.gz RDYPNKHCKMNTLC-GOUWZUTHSA-N 1 0 453.652 4.964 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)c1C ZINC001460052339 1067539832 /nfs/dbraw/zinc/53/98/32/1067539832.db2.gz CTZBECSQGPBYCK-UHFFFAOYSA-N 1 0 457.372 4.899 20 0 JJADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccc2c(c1)CCCC2 ZINC001460063340 1067543219 /nfs/dbraw/zinc/54/32/19/1067543219.db2.gz TWMJGWYYVASQFQ-YZNWFPQRSA-N 1 0 457.659 4.755 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001460067281 1067544676 /nfs/dbraw/zinc/54/46/76/1067544676.db2.gz DJAHFDKKTCCROK-FYQRJBHISA-N 1 0 450.623 4.751 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001460067284 1067544788 /nfs/dbraw/zinc/54/47/88/1067544788.db2.gz DJAHFDKKTCCROK-UUNMLIRYSA-N 1 0 450.623 4.751 20 0 JJADRO FC(F)(F)c1ccc(C[C@]2([NH2+]CCc3nc(-c4cccc(Cl)c4)no3)CCOC2)cc1 ZINC001460068679 1067545308 /nfs/dbraw/zinc/54/53/08/1067545308.db2.gz KICDMGWLHRASFP-OAQYLSRUSA-N 1 0 451.876 4.943 20 0 JJADRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)C12CCCC2 ZINC001460072969 1067546534 /nfs/dbraw/zinc/54/65/34/1067546534.db2.gz CMIXLCIEEUCDPG-VXKWHMMOSA-N 1 0 455.986 4.858 20 0 JJADRO CC(C)(C)OC(=O)C1(CC[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)CCC1 ZINC001460087084 1067550085 /nfs/dbraw/zinc/55/00/85/1067550085.db2.gz XNHKHELIFUWYKL-UHFFFAOYSA-N 1 0 452.393 4.643 20 0 JJADRO CC[C@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC001460094329 1067553080 /nfs/dbraw/zinc/55/30/80/1067553080.db2.gz QMHIIOOPIPGDPX-IERDGZPVSA-N 1 0 452.437 4.656 20 0 JJADRO COc1ccc(/C(C)=C\C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)cc1 ZINC001460095754 1067553479 /nfs/dbraw/zinc/55/34/79/1067553479.db2.gz XQMIWSQPXOYQEB-VZVUQDNOSA-N 1 0 458.400 4.640 20 0 JJADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001460095769 1067553576 /nfs/dbraw/zinc/55/35/76/1067553576.db2.gz ODHRYEASFFUERY-ZPZUNKDASA-N 1 0 450.623 4.658 20 0 JJADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC001460103088 1067555477 /nfs/dbraw/zinc/55/54/77/1067555477.db2.gz BZXCCFFFXPKXRQ-HSZRJFAPSA-N 1 0 455.643 4.540 20 0 JJADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(-c2cc(C)cc(C)c2)nn1-c1ccccc1 ZINC001460107636 1067556557 /nfs/dbraw/zinc/55/65/57/1067556557.db2.gz RVMYAFWSIQGDGX-RPWUZVMVSA-N 1 0 474.605 4.806 20 0 JJADRO C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001460111094 1067557365 /nfs/dbraw/zinc/55/73/65/1067557365.db2.gz KGJDJUJYZJQSSP-YSGRDPCXSA-N 1 0 453.421 4.904 20 0 JJADRO O=C1[C@H]([N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137615 1067562877 /nfs/dbraw/zinc/56/28/77/1067562877.db2.gz HISSHWMGDKCUMY-MGPUTAFESA-N 1 0 451.767 4.912 20 0 JJADRO CCOC(=O)Nc1ccc2c(C[NH2+][C@@H](C)c3ccc(-n4cccn4)c(F)c3)cc(=O)oc2c1 ZINC001460148090 1067564873 /nfs/dbraw/zinc/56/48/73/1067564873.db2.gz NIAVSKREZAWLKA-HNNXBMFYSA-N 1 0 450.470 4.537 20 0 JJADRO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460155824 1067566570 /nfs/dbraw/zinc/56/65/70/1067566570.db2.gz BRMILBCSABPLIP-ACRUOGEOSA-N 1 0 459.631 4.771 20 0 JJADRO OC[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001460154619 1067566583 /nfs/dbraw/zinc/56/65/83/1067566583.db2.gz XDTQFGVPFDMJQV-LOSJGSFVSA-N 1 0 452.392 4.786 20 0 JJADRO CCOC(=O)[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460160029 1067567244 /nfs/dbraw/zinc/56/72/44/1067567244.db2.gz UJEPXXQBQNGEBZ-SGNDLWITSA-N 1 0 458.643 4.910 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460173333 1067570184 /nfs/dbraw/zinc/57/01/84/1067570184.db2.gz HUQRGPABYKADLS-UWHLTILDSA-N 1 0 451.652 4.791 20 0 JJADRO O=C(CC[N@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1)Nc1cc(F)cc(F)c1 ZINC001460181177 1067572676 /nfs/dbraw/zinc/57/26/76/1067572676.db2.gz RLIHWGZFGTWXOZ-QVKFZJNVSA-N 1 0 453.327 4.502 20 0 JJADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001460181506 1067573064 /nfs/dbraw/zinc/57/30/64/1067573064.db2.gz QDBQHBNRZKURIX-AOMKIAJQSA-N 1 0 455.352 4.892 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460183257 1067573331 /nfs/dbraw/zinc/57/33/31/1067573331.db2.gz DQGQNAJGQPZVGW-VELGLUOQSA-N 1 0 467.448 4.698 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460183263 1067573396 /nfs/dbraw/zinc/57/33/96/1067573396.db2.gz DQGQNAJGQPZVGW-WQZMEWCLSA-N 1 0 467.448 4.698 20 0 JJADRO O[C@H](C[N@@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001460182536 1067573455 /nfs/dbraw/zinc/57/34/55/1067573455.db2.gz AKEUWEQQYOEQLJ-NSISKUIASA-N 1 0 458.318 4.947 20 0 JJADRO O=C1[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CCN1c1cccc(Br)c1 ZINC001460184152 1067573749 /nfs/dbraw/zinc/57/37/49/1067573749.db2.gz IVVHHTXCPAHKKR-RJGXRXQPSA-N 1 0 451.364 4.619 20 0 JJADRO CC(C)(C)OC(=O)NCCC[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccccc1 ZINC001460189149 1067574938 /nfs/dbraw/zinc/57/49/38/1067574938.db2.gz XEIVRDNWPVQUBY-NRFANRHFSA-N 1 0 455.603 4.573 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001460195925 1067576327 /nfs/dbraw/zinc/57/63/27/1067576327.db2.gz GDEXZRITMQACBP-LNRXMEIDSA-N 1 0 450.570 4.820 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001460196552 1067576445 /nfs/dbraw/zinc/57/64/45/1067576445.db2.gz ISTAHTVWWJAUNH-NHCUHLMSSA-N 1 0 456.986 4.642 20 0 JJADRO C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460206506 1067578927 /nfs/dbraw/zinc/57/89/27/1067578927.db2.gz SHNBTDXPWIJORQ-GGAORHGYSA-N 1 0 451.611 4.703 20 0 JJADRO Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCC4(CCN(C(=O)OC(C)(C)C)CC4)CC3)C2=O)c1 ZINC001460206349 1067578960 /nfs/dbraw/zinc/57/89/60/1067578960.db2.gz FQNZQNMWEXDDAU-NRFANRHFSA-N 1 0 459.606 4.743 20 0 JJADRO Cn1c(CC[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)nc2ccccc21 ZINC001460207538 1067579390 /nfs/dbraw/zinc/57/93/90/1067579390.db2.gz KUEMHLXQQJIDNA-RBBKRZOGSA-N 1 0 452.574 4.638 20 0 JJADRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460210094 1067579986 /nfs/dbraw/zinc/57/99/86/1067579986.db2.gz DOCZNIOZMMPFDH-FNLHRSDSSA-N 1 0 459.565 4.613 20 0 JJADRO O=C(C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001460213573 1067581003 /nfs/dbraw/zinc/58/10/03/1067581003.db2.gz JDQJDVDTSUUVKO-JOCHJYFZSA-N 1 0 457.546 4.910 20 0 JJADRO CCCCN(CC)c1ccc(C(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC001460214645 1067581452 /nfs/dbraw/zinc/58/14/52/1067581452.db2.gz ZVFNIASUWNLVPR-UHFFFAOYSA-N 1 0 450.627 4.666 20 0 JJADRO CCOC(=O)Oc1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001460228747 1067584713 /nfs/dbraw/zinc/58/47/13/1067584713.db2.gz IDHFIJBQXFWHHC-DEOSSOPVSA-N 1 0 450.579 4.985 20 0 JJADRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001460230687 1067585063 /nfs/dbraw/zinc/58/50/63/1067585063.db2.gz XETPESCFGBJHLA-VOUHSTLWSA-N 1 0 458.668 4.559 20 0 JJADRO C[C@@](Cc1ccccc1)([NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC001460241703 1067589060 /nfs/dbraw/zinc/58/90/60/1067589060.db2.gz LBSPBSIQSZMUFA-VWLOTQADSA-N 1 0 456.508 4.992 20 0 JJADRO C[C@](Cc1ccccc1)([NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC001460241693 1067589117 /nfs/dbraw/zinc/58/91/17/1067589117.db2.gz LBSPBSIQSZMUFA-RUZDIDTESA-N 1 0 456.508 4.992 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)[N@H+](C)C2CC2)CCS1 ZINC001546115019 1067589485 /nfs/dbraw/zinc/58/94/85/1067589485.db2.gz OUCIADUBZPGENV-SFHVURJKSA-N 1 0 473.687 4.557 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[NH2+][C@@H](c3ccccc3)C3(CO)CCCCC3)C2)C1 ZINC001460248504 1067591175 /nfs/dbraw/zinc/59/11/75/1067591175.db2.gz QSBPCZJKHYZYLT-MVERNJQCSA-N 1 0 458.643 4.676 20 0 JJADRO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH2+][C@H](C)C1(OC)CCC1 ZINC001460252725 1067591918 /nfs/dbraw/zinc/59/19/18/1067591918.db2.gz TWPBCMTZBYHPLX-CQSZACIVSA-N 1 0 450.988 4.731 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC[NH+]2CCCCC2)CCS1 ZINC001546115142 1067593283 /nfs/dbraw/zinc/59/32/83/1067593283.db2.gz UICHTOCLAJYWJD-UHFFFAOYSA-N 1 0 487.714 4.950 20 0 JJADRO C[C@@H]1C[C@H](C)[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269621 1067594174 /nfs/dbraw/zinc/59/41/74/1067594174.db2.gz GJBMPBXBYPYULM-AOIWGVFYSA-N 1 0 453.023 4.915 20 0 JJADRO CCc1cc2c(C[N@@H+]3CC4(C[C@@H]3C)CCN(C(=O)OC(C)(C)C)CC4)cc(=O)oc2cc1O ZINC001460273015 1067594981 /nfs/dbraw/zinc/59/49/81/1067594981.db2.gz FDAJYVGOYWYDPY-KRWDZBQOSA-N 1 0 456.583 4.673 20 0 JJADRO CCc1cc2c(C[N@@H+]3CC4(C[C@H]3C)CCN(C(=O)OC(C)(C)C)CC4)cc(=O)oc2cc1O ZINC001460273017 1067595009 /nfs/dbraw/zinc/59/50/09/1067595009.db2.gz FDAJYVGOYWYDPY-QGZVFWFLSA-N 1 0 456.583 4.673 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1c1ccc(Br)cc1 ZINC001460273256 1067595222 /nfs/dbraw/zinc/59/52/22/1067595222.db2.gz BYKJVDZNINUYCE-LEWJYISDSA-N 1 0 470.363 4.561 20 0 JJADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001460274289 1067595664 /nfs/dbraw/zinc/59/56/64/1067595664.db2.gz XCNRRTJEVQRXPP-RCLSDMTESA-N 1 0 457.615 4.823 20 0 JJADRO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001460278117 1067596184 /nfs/dbraw/zinc/59/61/84/1067596184.db2.gz DTYOVSHMUJBPBM-OYRHQHFDSA-N 1 0 469.601 4.799 20 0 JJADRO CCOC(=O)c1c2c(sc1NC(=O)CN1C[C@H](C)c3ccccc31)C(C)(C)[NH2+]C(C)(C)C2 ZINC001460286563 1067598908 /nfs/dbraw/zinc/59/89/08/1067598908.db2.gz PKYRGCCNXXIBDS-HNNXBMFYSA-N 1 0 455.624 4.646 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)CCS1 ZINC001546115303 1067600612 /nfs/dbraw/zinc/60/06/12/1067600612.db2.gz ZNURTVWEFYMWNC-UHFFFAOYSA-N 1 0 484.533 4.977 20 0 JJADRO CC(C)(C)OC(=O)N1CC([N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C2CC2)C1 ZINC001460315644 1067605876 /nfs/dbraw/zinc/60/58/76/1067605876.db2.gz TWMDUQWWDLMCHT-UHFFFAOYSA-N 1 0 451.567 4.891 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC001460317087 1067606438 /nfs/dbraw/zinc/60/64/38/1067606438.db2.gz JIPJYCDCNULWTC-LMNJBCLMSA-N 1 0 456.986 4.785 20 0 JJADRO CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001460319887 1067607368 /nfs/dbraw/zinc/60/73/68/1067607368.db2.gz ZCKIHPIXFVLNNW-LNRXMEIDSA-N 1 0 453.023 4.954 20 0 JJADRO CC(C)c1n[nH]c(CC2CC[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)CC2)n1 ZINC001460331914 1067609973 /nfs/dbraw/zinc/60/99/73/1067609973.db2.gz HMMFKWDHNUPVFD-DEOSSOPVSA-N 1 0 451.640 4.540 20 0 JJADRO CCCC[N@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)[C@@H]1CCc2ncsc2C1 ZINC001460339850 1067611516 /nfs/dbraw/zinc/61/15/16/1067611516.db2.gz QLRIERPELRGFDW-OAQYLSRUSA-N 1 0 451.640 4.852 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460340460 1067611530 /nfs/dbraw/zinc/61/15/30/1067611530.db2.gz TWHVFCUCLUAEJP-AUSIDOKSSA-N 1 0 455.599 4.725 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460340494 1067611957 /nfs/dbraw/zinc/61/19/57/1067611957.db2.gz TWHVFCUCLUAEJP-XXBNENTESA-N 1 0 455.599 4.725 20 0 JJADRO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460343309 1067612764 /nfs/dbraw/zinc/61/27/64/1067612764.db2.gz ZGMSFZKEMJREQR-WMZHIEFXSA-N 1 0 458.647 4.549 20 0 JJADRO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460343301 1067612841 /nfs/dbraw/zinc/61/28/41/1067612841.db2.gz ZGMSFZKEMJREQR-AUSIDOKSSA-N 1 0 458.647 4.549 20 0 JJADRO O=C(CN1CCCC[C@H]1Cc1ccccc1F)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356179 1067616368 /nfs/dbraw/zinc/61/63/68/1067616368.db2.gz KTEIWQAZNQGKCR-OFVILXPXSA-N 1 0 458.021 4.829 20 0 JJADRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001460356853 1067616441 /nfs/dbraw/zinc/61/64/41/1067616441.db2.gz RWUMKSZJGQEJKU-DHIUTWEWSA-N 1 0 458.606 4.611 20 0 JJADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001460357000 1067616886 /nfs/dbraw/zinc/61/68/86/1067616886.db2.gz UDNUPTBCAZMSTH-WIYYLYMNSA-N 1 0 455.624 4.535 20 0 JJADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460357749 1067616901 /nfs/dbraw/zinc/61/69/01/1067616901.db2.gz BGDMKIUMVQJILC-FXABVQRQSA-N 1 0 455.599 4.579 20 0 JJADRO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)c1C ZINC001460376245 1067621327 /nfs/dbraw/zinc/62/13/27/1067621327.db2.gz VHPFYGAZIWDTOB-JOCHJYFZSA-N 1 0 452.473 4.597 20 0 JJADRO O=C(N1C[C@@H]([NH2+]Cc2nc(-c3c(F)cccc3F)cs2)Cc2ccccc21)C(F)(F)F ZINC001460376641 1067621688 /nfs/dbraw/zinc/62/16/88/1067621688.db2.gz WTJPZKARVOGNOG-ZDUSSCGKSA-N 1 0 453.436 4.698 20 0 JJADRO Cn1c(CC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)nc2ccccc21 ZINC001460387243 1067623784 /nfs/dbraw/zinc/62/37/84/1067623784.db2.gz BBPZNSBHPPIXLR-IFMALSPDSA-N 1 0 452.574 4.638 20 0 JJADRO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F ZINC001460388383 1067624253 /nfs/dbraw/zinc/62/42/53/1067624253.db2.gz HEUVFCBCFFWYBO-VQPPSCEASA-N 1 0 477.527 4.814 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC001460391130 1067624902 /nfs/dbraw/zinc/62/49/02/1067624902.db2.gz OLVKAXTWIUFJIM-VABKMULXSA-N 1 0 468.594 4.608 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC001460395300 1067626004 /nfs/dbraw/zinc/62/60/04/1067626004.db2.gz WMZXDWYKUPELMY-NDUPCHFUSA-N 1 0 476.511 4.627 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC001460395239 1067626015 /nfs/dbraw/zinc/62/60/15/1067626015.db2.gz WMZXDWYKUPELMY-DUPRYPCISA-N 1 0 476.511 4.627 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC001460395292 1067626044 /nfs/dbraw/zinc/62/60/44/1067626044.db2.gz WMZXDWYKUPELMY-JMVFIXPQSA-N 1 0 476.511 4.627 20 0 JJADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001460401094 1067626955 /nfs/dbraw/zinc/62/69/55/1067626955.db2.gz SNTAERRZLRTKRX-AIRYKSJBSA-N 1 0 451.636 4.828 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](Cc3nc(CCc4ccccc4)no3)C2)CC1 ZINC001460406025 1067628282 /nfs/dbraw/zinc/62/82/82/1067628282.db2.gz BBCDHOWXUYSKBS-JOCHJYFZSA-N 1 0 454.615 4.714 20 0 JJADRO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460409508 1067629057 /nfs/dbraw/zinc/62/90/57/1067629057.db2.gz KOUJVBWMTHCXQC-IBGZPJMESA-N 1 0 450.023 4.946 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC001460408802 1067629249 /nfs/dbraw/zinc/62/92/49/1067629249.db2.gz NFNGAKRXGBQQHZ-WWPVKYPJSA-N 1 0 475.649 4.793 20 0 JJADRO C[C@]12CC[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)C[C@H]1C2(Br)Br ZINC001460419972 1067631754 /nfs/dbraw/zinc/63/17/54/1067631754.db2.gz VAQAQJQMKDABRD-HIFRSBDPSA-N 1 0 468.592 4.636 20 0 JJADRO OC[C@@]1([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CCc2cc(Br)ccc2C1 ZINC001460424883 1067632135 /nfs/dbraw/zinc/63/21/35/1067632135.db2.gz UZIPYCXLBKOULS-GOSISDBHSA-N 1 0 450.245 4.756 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC001460421288 1067632162 /nfs/dbraw/zinc/63/21/62/1067632162.db2.gz WKMCHPMYJYZNDJ-RKVPGOIHSA-N 1 0 480.285 4.852 20 0 JJADRO OC[C@]1([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CCc2cc(Br)ccc2C1 ZINC001460424884 1067632795 /nfs/dbraw/zinc/63/27/95/1067632795.db2.gz UZIPYCXLBKOULS-SFHVURJKSA-N 1 0 450.245 4.756 20 0 JJADRO Ic1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)co2)cc1 ZINC001460452088 1067637035 /nfs/dbraw/zinc/63/70/35/1067637035.db2.gz KRTFPEDMQDZFDD-APWZRJJASA-N 1 0 452.336 4.727 20 0 JJADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@@H](c3ccccn3)C3CCC3)cc2)cc1 ZINC001460487840 1067644143 /nfs/dbraw/zinc/64/41/43/1067644143.db2.gz YXBQKIOERSSWFS-AREMUKBSSA-N 1 0 458.562 4.802 20 0 JJADRO CCOC(=O)Nc1ccc2c(C[NH+]3CCC(OCc4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC001460505710 1067646101 /nfs/dbraw/zinc/64/61/01/1067646101.db2.gz CNXFGFYBILGKPG-UHFFFAOYSA-N 1 0 454.498 4.682 20 0 JJADRO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001460505654 1067646187 /nfs/dbraw/zinc/64/61/87/1067646187.db2.gz CARJRBMWWVEYQB-OAQYLSRUSA-N 1 0 451.533 4.994 20 0 JJADRO COC(=O)c1cnc([C@H]2CCC[N@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001460525776 1067650143 /nfs/dbraw/zinc/65/01/43/1067650143.db2.gz LNJKGEAQQMKXNA-SFHVURJKSA-N 1 0 451.633 4.536 20 0 JJADRO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001460538456 1067653319 /nfs/dbraw/zinc/65/33/19/1067653319.db2.gz NIXSDIVLIZXMDG-CRAIPNDOSA-N 1 0 452.348 4.615 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)c2c(F)ccc(Br)c2OC)[NH+](CC)CC)cc1 ZINC001460551486 1067655176 /nfs/dbraw/zinc/65/51/76/1067655176.db2.gz GXPICRWXKPRLEZ-LJQANCHMSA-N 1 0 451.380 4.972 20 0 JJADRO CCc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)[NH+](CC)CC)cc1 ZINC001460556391 1067655186 /nfs/dbraw/zinc/65/51/86/1067655186.db2.gz ODRCGCPADJXDEG-URXFXBBRSA-N 1 0 453.652 4.523 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)[NH+](CC)CC)cc1 ZINC001460555078 1067655233 /nfs/dbraw/zinc/65/52/33/1067655233.db2.gz MUPXEIXQXHBMDC-JOCHJYFZSA-N 1 0 459.516 4.661 20 0 JJADRO CN(Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460555524 1067655243 /nfs/dbraw/zinc/65/52/43/1067655243.db2.gz HVGNMKKGFLSSFN-MHZLTWQESA-N 1 0 452.545 4.613 20 0 JJADRO COc1ccc([C@@H]2CC[N@@H+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570466 1067658241 /nfs/dbraw/zinc/65/82/41/1067658241.db2.gz OUBUQMNZOGOGHV-NQIIRXRSSA-N 1 0 450.476 4.834 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN1CCC(CC)([NH+](C)C)CC1 ZINC001460580312 1067660557 /nfs/dbraw/zinc/66/05/57/1067660557.db2.gz PSCPSECEWKGJKM-UHFFFAOYSA-N 1 0 457.640 4.645 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)CCS1 ZINC001546117510 1067664984 /nfs/dbraw/zinc/66/49/84/1067664984.db2.gz ISJHLTQYXLTZDJ-UHFFFAOYSA-N 1 0 459.679 4.994 20 0 JJADRO CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC001460602771 1067668155 /nfs/dbraw/zinc/66/81/55/1067668155.db2.gz JKTLQGHPDAXTQJ-SFHVURJKSA-N 1 0 452.311 4.637 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC001460618764 1067674503 /nfs/dbraw/zinc/67/45/03/1067674503.db2.gz NJCGQSWPQUZYNR-MRXNPFEDSA-N 1 0 459.421 4.975 20 0 JJADRO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC001460638918 1067681604 /nfs/dbraw/zinc/68/16/04/1067681604.db2.gz PUIJVDZPHISHHJ-VWLOTQADSA-N 1 0 457.977 4.797 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460649851 1067686755 /nfs/dbraw/zinc/68/67/55/1067686755.db2.gz HNHIPDJGUPBREN-BHDDXSALSA-N 1 0 480.527 4.740 20 0 JJADRO CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCS1 ZINC001546117994 1067689825 /nfs/dbraw/zinc/68/98/25/1067689825.db2.gz UQRQDZZOWWERAL-PQNGQFLHSA-N 1 0 463.736 4.795 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cncc(C)c2)cc1 ZINC001460657880 1067690745 /nfs/dbraw/zinc/69/07/45/1067690745.db2.gz AXDLDDQFFKVROH-XMMPIXPASA-N 1 0 458.562 4.817 20 0 JJADRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)c1cccc(OC)c1OC ZINC001460666142 1067693619 /nfs/dbraw/zinc/69/36/19/1067693619.db2.gz VOBQBTCONHIYIA-HXUWFJFHSA-N 1 0 451.592 4.766 20 0 JJADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001460682773 1067700585 /nfs/dbraw/zinc/70/05/85/1067700585.db2.gz ZLRXNQCKMJFRLS-TZIWHRDSSA-N 1 0 457.412 4.734 20 0 JJADRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)cc1 ZINC001460693015 1067703369 /nfs/dbraw/zinc/70/33/69/1067703369.db2.gz RUAYQIPCGIKQBH-XZOQPEGZSA-N 1 0 451.611 4.788 20 0 JJADRO CC(C)(C)OC(=O)N1CC(O)(C[N@H+](Cc2ccccc2)Cc2cccc(OC(C)(C)C)c2)C1 ZINC001460710685 1067706415 /nfs/dbraw/zinc/70/64/15/1067706415.db2.gz BAUJBYNDYXLGCW-UHFFFAOYSA-N 1 0 454.611 4.848 20 0 JJADRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+](C[C@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713940 1067707153 /nfs/dbraw/zinc/70/71/53/1067707153.db2.gz USFFNROARTWBHV-QAPCUYQASA-N 1 0 453.004 4.922 20 0 JJADRO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001460716443 1067708341 /nfs/dbraw/zinc/70/83/41/1067708341.db2.gz GALSHBILOOJWPM-SFHVURJKSA-N 1 0 456.455 4.790 20 0 JJADRO C[N@H+](CCCN1C(=O)CNC1=O)Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl ZINC001460719859 1067708934 /nfs/dbraw/zinc/70/89/34/1067708934.db2.gz RCFGTPAREYNMDF-UHFFFAOYSA-N 1 0 456.757 4.813 20 0 JJADRO CN(CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001460722607 1067709392 /nfs/dbraw/zinc/70/93/92/1067709392.db2.gz XWRNFDPUAZBKLK-SANMLTNESA-N 1 0 451.630 4.740 20 0 JJADRO CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H](c1ccccc1)c1ccccc1Br ZINC001460732397 1067711672 /nfs/dbraw/zinc/71/16/72/1067711672.db2.gz RYRNJHUNXVBZGH-WIOPSUGQSA-N 1 0 453.424 4.963 20 0 JJADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001460749995 1067715522 /nfs/dbraw/zinc/71/55/22/1067715522.db2.gz VWTUFJUMLNPFIL-QGZVFWFLSA-N 1 0 452.776 4.660 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@]2(C)C1 ZINC001460750513 1067715740 /nfs/dbraw/zinc/71/57/40/1067715740.db2.gz JSDRLGDMGOHHQT-CCLHPLFOSA-N 1 0 465.594 4.996 20 0 JJADRO CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460752421 1067716572 /nfs/dbraw/zinc/71/65/72/1067716572.db2.gz DKWMODVKYLIEPV-VTHDOGFWSA-N 1 0 451.652 4.886 20 0 JJADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ncoc1CCC(F)(F)F ZINC001460761223 1067718372 /nfs/dbraw/zinc/71/83/72/1067718372.db2.gz IENWQSLOGNCJLG-VQTJNVASSA-N 1 0 461.459 4.707 20 0 JJADRO CCCOc1ccc(OCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460768018 1067720153 /nfs/dbraw/zinc/72/01/53/1067720153.db2.gz XUTKDPPGKUPAIP-RRPNLBNLSA-N 1 0 462.565 4.778 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](C[C@@H](O)c1ccccc1Br)C2 ZINC001460777568 1067721686 /nfs/dbraw/zinc/72/16/86/1067721686.db2.gz GKAUGMOXKYTUHF-KNQAVFIVSA-N 1 0 453.421 4.596 20 0 JJADRO CC(C)COC(=O)N1CCC(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CC1 ZINC001460791613 1067724006 /nfs/dbraw/zinc/72/40/06/1067724006.db2.gz FKUKXRZYBHSRKV-UHFFFAOYSA-N 1 0 450.023 4.664 20 0 JJADRO CC[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)c1cccc2ccccc21 ZINC001460797765 1067725806 /nfs/dbraw/zinc/72/58/06/1067725806.db2.gz ZYMWWZZZSCQQNB-DEOSSOPVSA-N 1 0 453.608 4.550 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]([NH2+][C@@H](CC)CO)c1ccccc1 ZINC001460797013 1067725902 /nfs/dbraw/zinc/72/59/02/1067725902.db2.gz ZGHZOQAUQMIVCM-UGKGYDQZSA-N 1 0 452.576 4.632 20 0 JJADRO CCc1c(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)nnn1Cc1ccccc1 ZINC001460797330 1067725921 /nfs/dbraw/zinc/72/59/21/1067725921.db2.gz RLIWLIRLWCCMQY-UHFFFAOYSA-N 1 0 452.002 4.675 20 0 JJADRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccc(SC(F)(F)F)c1 ZINC001460801801 1067726498 /nfs/dbraw/zinc/72/64/98/1067726498.db2.gz ASMMOLXXEWOJEM-LBPRGKRZSA-N 1 0 455.893 4.822 20 0 JJADRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc(SC(F)(F)F)c1 ZINC001460805013 1067727315 /nfs/dbraw/zinc/72/73/15/1067727315.db2.gz VMVMZUJBCSERHM-NSHDSACASA-N 1 0 457.543 4.627 20 0 JJADRO CC(C)(C)OC(=O)NCC1([C@@H]2CCCC[N@@H+]2C[C@@H]2CCN(C(=O)c3ccccc3)C2)CCC1 ZINC001460846438 1067734334 /nfs/dbraw/zinc/73/43/34/1067734334.db2.gz DUWPGIBPUDPAGR-GMAHTHKFSA-N 1 0 455.643 4.698 20 0 JJADRO CN(C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001460855278 1067735169 /nfs/dbraw/zinc/73/51/69/1067735169.db2.gz JVNZLGGFAOWVJX-UHFFFAOYSA-N 1 0 452.439 4.783 20 0 JJADRO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[N@H+](Cc1ccccc1)Cc1cncc(C)c1 ZINC001460861969 1067736781 /nfs/dbraw/zinc/73/67/81/1067736781.db2.gz FCPUICUBKKJTPM-RPWUZVMVSA-N 1 0 467.610 4.581 20 0 JJADRO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001460871513 1067739702 /nfs/dbraw/zinc/73/97/02/1067739702.db2.gz PEXXLDXAUULOTN-KSFYIVLOSA-N 1 0 458.521 4.596 20 0 JJADRO O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001460874670 1067740046 /nfs/dbraw/zinc/74/00/46/1067740046.db2.gz RPLKNGNHLQCGBA-RTBURBONSA-N 1 0 458.318 4.915 20 0 JJADRO C[C@](CO)(c1ccc(Br)cc1)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001460897755 1067745513 /nfs/dbraw/zinc/74/55/13/1067745513.db2.gz ZGZDWJVHHXXCOR-QFIPXVFZSA-N 1 0 451.836 4.560 20 0 JJADRO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC001460910706 1067746578 /nfs/dbraw/zinc/74/65/78/1067746578.db2.gz ZIAAKITXJRJITF-DCLXLUIPSA-N 1 0 459.590 4.765 20 0 JJADRO Cn1ccnc1COc1ccc(C[N@@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001460952266 1067752774 /nfs/dbraw/zinc/75/27/74/1067752774.db2.gz UIMVQDSBVTUMPP-SANMLTNESA-N 1 0 454.615 4.755 20 0 JJADRO CCOc1ccc(NC(=O)CC[NH+]2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001460977587 1067755531 /nfs/dbraw/zinc/75/55/31/1067755531.db2.gz JMOQLJTYMOLTON-HXUWFJFHSA-N 1 0 459.631 4.821 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc2cccc(Br)c21 ZINC001460979299 1067756001 /nfs/dbraw/zinc/75/60/01/1067756001.db2.gz FQSUFCGWIRPWAB-NFBKMPQASA-N 1 0 467.407 4.869 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001460982534 1067756414 /nfs/dbraw/zinc/75/64/14/1067756414.db2.gz OEUYGSPOOSWRRI-ZEQKJWHPSA-N 1 0 472.589 4.598 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001460983856 1067757336 /nfs/dbraw/zinc/75/73/36/1067757336.db2.gz WEQPOSQZBMXGGP-NZSAHSFTSA-N 1 0 455.521 4.658 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[N@H+](CCCCOc1ccccc1C(F)(F)F)CCO2 ZINC001460991853 1067758917 /nfs/dbraw/zinc/75/89/17/1067758917.db2.gz OCSHIPKQLCBYTJ-QFIPXVFZSA-N 1 0 458.521 4.576 20 0 JJADRO Fc1ccc([C@@H](C[NH2+]Cc2ccccc2OCc2ccc(F)cc2F)N2CCOCC2)cc1 ZINC001460996170 1067759708 /nfs/dbraw/zinc/75/97/08/1067759708.db2.gz SCNVVHPGBZRAQW-RUZDIDTESA-N 1 0 456.508 4.846 20 0 JJADRO O[C@@H](C[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)COc1ccccc1 ZINC001461020404 1067762946 /nfs/dbraw/zinc/76/29/46/1067762946.db2.gz ZPOKOVZQGTXGLZ-IBGZPJMESA-N 1 0 459.443 4.689 20 0 JJADRO COc1cc(C[NH2+]Cc2cccc(I)c2)ccc1OCC(F)(F)F ZINC001461029304 1067765031 /nfs/dbraw/zinc/76/50/31/1067765031.db2.gz AMFWGESJEDAPCL-UHFFFAOYSA-N 1 0 451.226 4.531 20 0 JJADRO Brc1cc(C[NH2+]CC2(N3CCSCC3)CCCC2)c(Br)s1 ZINC001461037424 1067767287 /nfs/dbraw/zinc/76/72/87/1067767287.db2.gz ASPRFSAYGSTULL-UHFFFAOYSA-N 1 0 454.297 4.724 20 0 JJADRO CC[C@@H](C[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)N1CCc2ccccc2C1 ZINC001461039242 1067767658 /nfs/dbraw/zinc/76/76/58/1067767658.db2.gz PJLZKXMYYKKFGA-QFIPXVFZSA-N 1 0 455.668 4.968 20 0 JJADRO CC[NH+](CC)[C@H](CNCc1c(F)ccc(I)c1F)c1ccsc1 ZINC001461042624 1067768217 /nfs/dbraw/zinc/76/82/17/1067768217.db2.gz ZTDBMVNKTLZWAO-MRXNPFEDSA-N 1 0 450.336 4.804 20 0 JJADRO CC[NH+](CC)[C@@H](CNCc1c(F)ccc(I)c1F)c1ccsc1 ZINC001461042617 1067768303 /nfs/dbraw/zinc/76/83/03/1067768303.db2.gz ZTDBMVNKTLZWAO-INIZCTEOSA-N 1 0 450.336 4.804 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C2CC2)[NH+](C)C)CCS1 ZINC001546121024 1067768603 /nfs/dbraw/zinc/76/86/03/1067768603.db2.gz IBWUIRKGNUBCSF-JOCHJYFZSA-N 1 0 457.688 4.618 20 0 JJADRO FC(F)(F)COc1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)cn1 ZINC001461047593 1067768925 /nfs/dbraw/zinc/76/89/25/1067768925.db2.gz IZGYZMCDIASNPD-UHFFFAOYSA-N 1 0 459.184 4.974 20 0 JJADRO FC(F)(F)COc1ccc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)cn1 ZINC001461049455 1067769647 /nfs/dbraw/zinc/76/96/47/1067769647.db2.gz WZEWLSIIPOPQRG-UHFFFAOYSA-N 1 0 458.322 4.539 20 0 JJADRO C[C@H]1CN([C@@H](C[NH2+]Cc2c(F)cccc2Br)c2c(F)cccc2Cl)CCO1 ZINC001461050631 1067770011 /nfs/dbraw/zinc/77/00/11/1067770011.db2.gz LVIYVQREYRULPH-DJJJIMSYSA-N 1 0 459.762 4.932 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)CCS1 ZINC001546121300 1067775406 /nfs/dbraw/zinc/77/54/06/1067775406.db2.gz RXLSNJJNACQTKI-QHCPKHFHSA-N 1 0 471.715 4.926 20 0 JJADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1OCC ZINC001461069407 1067775422 /nfs/dbraw/zinc/77/54/22/1067775422.db2.gz XLGFYLQBGMERSF-AWEZNQCLSA-N 1 0 453.343 4.610 20 0 JJADRO COc1ccc(OCc2nc(C[NH2+]C3CCN(Cc4ccc(F)c(F)c4)CC3)cs2)cc1 ZINC001461068519 1067775442 /nfs/dbraw/zinc/77/54/42/1067775442.db2.gz ZKJISGUQNRPBJF-UHFFFAOYSA-N 1 0 459.562 4.763 20 0 JJADRO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1OCC ZINC001461069408 1067775516 /nfs/dbraw/zinc/77/55/16/1067775516.db2.gz XLGFYLQBGMERSF-CQSZACIVSA-N 1 0 453.343 4.610 20 0 JJADRO CN(c1ccc(NCc2ccc(F)cc2I)cc1)C1CC[NH+](C)CC1 ZINC001461073140 1067776360 /nfs/dbraw/zinc/77/63/60/1067776360.db2.gz ZHZXFGFTBMWFFA-UHFFFAOYSA-N 1 0 453.343 4.573 20 0 JJADRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)Cn1cccn1 ZINC001461078434 1067777350 /nfs/dbraw/zinc/77/73/50/1067777350.db2.gz KWLZHLVJRDNBMX-SFHVURJKSA-N 1 0 450.384 4.924 20 0 JJADRO Cc1csc(N2CCC([NH2+]CC3(c4cccc(Br)c4)CCOCC3)CC2)n1 ZINC001461084598 1067778331 /nfs/dbraw/zinc/77/83/31/1067778331.db2.gz BGYHLGSBUDHQER-UHFFFAOYSA-N 1 0 450.446 4.521 20 0 JJADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001461085438 1067778741 /nfs/dbraw/zinc/77/87/41/1067778741.db2.gz MCAPYUVRJPUNCP-UHFFFAOYSA-N 1 0 450.627 4.652 20 0 JJADRO CCOc1cc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)ccc1OCC(F)(F)F ZINC001461094671 1067781045 /nfs/dbraw/zinc/78/10/45/1067781045.db2.gz JRAVWYJLXOGZRC-UHFFFAOYSA-N 1 0 459.468 4.964 20 0 JJADRO O=C(NCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)c1ccc(Br)cc1 ZINC001461095838 1067781282 /nfs/dbraw/zinc/78/12/82/1067781282.db2.gz NYEGDEGEXQLZEP-UHFFFAOYSA-N 1 0 450.789 4.746 20 0 JJADRO COc1ccc(C2(C[NH2+]Cc3nc(-c4ccc(Br)cc4)c[nH]3)CCOCC2)cc1 ZINC001461100476 1067782089 /nfs/dbraw/zinc/78/20/89/1067782089.db2.gz JFVCVJQMJLDOGQ-UHFFFAOYSA-N 1 0 456.384 4.686 20 0 JJADRO CC(C)N(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461116395 1067784374 /nfs/dbraw/zinc/78/43/74/1067784374.db2.gz RWXQSNFLPJFTJR-FQEVSTJZSA-N 1 0 458.484 4.881 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC001461123064 1067785770 /nfs/dbraw/zinc/78/57/70/1067785770.db2.gz YQIBLURSCQCFDS-AWEZNQCLSA-N 1 0 455.739 4.926 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)CC(F)F ZINC001461122837 1067785791 /nfs/dbraw/zinc/78/57/91/1067785791.db2.gz XBOQULFLWBTQES-LJQANCHMSA-N 1 0 457.525 4.572 20 0 JJADRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(Br)c(F)c3F)CC2)cc1 ZINC001461127153 1067786608 /nfs/dbraw/zinc/78/66/08/1067786608.db2.gz PTRUDTDTIDOPJG-UHFFFAOYSA-N 1 0 453.327 4.520 20 0 JJADRO COc1cc(C[NH2+]Cc2ccc(OCCOc3ccc(Cl)cc3)cc2)cc2c1OCCO2 ZINC001461137521 1067787775 /nfs/dbraw/zinc/78/77/75/1067787775.db2.gz DYQQZWSGLBJAQB-UHFFFAOYSA-N 1 0 455.938 4.867 20 0 JJADRO CSc1cc(Br)ccc1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC001461155195 1067790571 /nfs/dbraw/zinc/79/05/71/1067790571.db2.gz UKPHXECSHXYJDS-UHFFFAOYSA-N 1 0 459.203 4.995 20 0 JJADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H](C)Sc1ccc(Br)cc1 ZINC001461159112 1067791015 /nfs/dbraw/zinc/79/10/15/1067791015.db2.gz HASGFTWLAFULEW-LLVKDONJSA-N 1 0 452.340 4.703 20 0 JJADRO Fc1c(Br)ccc(C[NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)c1F ZINC001461160733 1067791424 /nfs/dbraw/zinc/79/14/24/1067791424.db2.gz NZSKKJZAKIUVJE-UHFFFAOYSA-N 1 0 458.778 4.683 20 0 JJADRO COc1cc(C[NH2+]CCCN2CCCCC2=O)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001461174731 1067793184 /nfs/dbraw/zinc/79/31/84/1067793184.db2.gz OCAGCZNQILVJAL-UHFFFAOYSA-N 1 0 450.501 4.785 20 0 JJADRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3cnn(-c4ccccc4C)c3)cc2)cc1 ZINC001461179017 1067793564 /nfs/dbraw/zinc/79/35/64/1067793564.db2.gz WSMNCEHLXKNTAM-UHFFFAOYSA-N 1 0 454.574 4.839 20 0 JJADRO Cc1c(Br)cccc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001461198936 1067797823 /nfs/dbraw/zinc/79/78/23/1067797823.db2.gz RHPWVYOYNACLBR-WOJBJXKFSA-N 1 0 470.436 4.746 20 0 JJADRO CC(C)[C@@H](C[NH2+]Cc1cc(Br)sc1Br)NC(=O)OC(C)(C)C ZINC001461199455 1067797860 /nfs/dbraw/zinc/79/78/60/1067797860.db2.gz XTEBOXPTEJQGGY-LLVKDONJSA-N 1 0 456.244 4.912 20 0 JJADRO O=C(NCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)c1cccc(Br)c1 ZINC001461203142 1067798688 /nfs/dbraw/zinc/79/86/88/1067798688.db2.gz PMXVINABEDIVDK-UHFFFAOYSA-N 1 0 459.334 4.879 20 0 JJADRO Cc1ccc(COc2ccc(C[NH2+]CCNC(=O)c3cccc(Br)c3)cc2)cc1 ZINC001461204443 1067798911 /nfs/dbraw/zinc/79/89/11/1067798911.db2.gz URJIZJZOTDLIQL-UHFFFAOYSA-N 1 0 453.380 4.856 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(C(C)(C)C)cc3)o2)C1 ZINC001461204582 1067798940 /nfs/dbraw/zinc/79/89/40/1067798940.db2.gz HQSLLXDTGGXLGO-OFNKIYASSA-N 1 0 456.627 4.958 20 0 JJADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC001461206781 1067799311 /nfs/dbraw/zinc/79/93/11/1067799311.db2.gz RBDOCLKFGQJXIC-UHFFFAOYSA-N 1 0 453.338 4.607 20 0 JJADRO CCCCOc1ccc(C[NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001461208921 1067799862 /nfs/dbraw/zinc/79/98/62/1067799862.db2.gz NSPAXSBTYZIADD-UHFFFAOYSA-N 1 0 454.430 4.970 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC001461215043 1067800691 /nfs/dbraw/zinc/80/06/91/1067800691.db2.gz DVIUFCWHCVWSBN-LSDHHAIUSA-N 1 0 457.833 4.937 20 0 JJADRO Brc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCOC[C@H]2CCCO2)c1 ZINC001461214927 1067800740 /nfs/dbraw/zinc/80/07/40/1067800740.db2.gz MIPDQNWJNDREQK-JOCHJYFZSA-N 1 0 456.384 4.587 20 0 JJADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(I)c(OC)c(OC)c2)C12CCCCC2 ZINC001461215015 1067800776 /nfs/dbraw/zinc/80/07/76/1067800776.db2.gz OENQWZQNMVSRBN-QZTJIDSGSA-N 1 0 459.368 4.526 20 0 JJADRO CCOc1cc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)ccc1OCC(=O)N1CCCCC1 ZINC001461234222 1067805363 /nfs/dbraw/zinc/80/53/63/1067805363.db2.gz LXVJMHVAGWYYDD-UHFFFAOYSA-N 1 0 457.014 4.951 20 0 JJADRO Clc1ccc(I)c(C[NH2+]CCc2nc(-c3ccncc3)cs2)c1 ZINC001461236422 1067806224 /nfs/dbraw/zinc/80/62/24/1067806224.db2.gz YQMZZIUFQVDFKK-UHFFFAOYSA-N 1 0 455.752 4.795 20 0 JJADRO C[N@@H+]1CCC[C@H](CNCc2c(Br)cncc2Br)[C@H]1c1cccs1 ZINC001461235165 1067806595 /nfs/dbraw/zinc/80/65/95/1067806595.db2.gz YOTLQMOUGUEUIB-PXAZEXFGSA-N 1 0 459.251 4.841 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001461239585 1067807380 /nfs/dbraw/zinc/80/73/80/1067807380.db2.gz REYVNTCNJGJYDW-ZUOKHONESA-N 1 0 452.755 4.947 20 0 JJADRO C[C@@](O)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccco1 ZINC001461251244 1067810071 /nfs/dbraw/zinc/81/00/71/1067810071.db2.gz FDSJYGJWRZSIKJ-HSZRJFAPSA-N 1 0 452.352 4.892 20 0 JJADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC001461260406 1067812987 /nfs/dbraw/zinc/81/29/87/1067812987.db2.gz GFYVEUOSSULTKS-CZUORRHYSA-N 1 0 450.473 4.617 20 0 JJADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001461260752 1067813154 /nfs/dbraw/zinc/81/31/54/1067813154.db2.gz JGYXPMCRQDOBOZ-LAUBAEHRSA-N 1 0 452.039 4.655 20 0 JJADRO O=C(OCc1ccccc1)c1cc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c[nH]1 ZINC001461262525 1067813314 /nfs/dbraw/zinc/81/33/14/1067813314.db2.gz MBQSQQQONVXHQP-OAQYLSRUSA-N 1 0 452.860 4.565 20 0 JJADRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)C1 ZINC001461279428 1067816750 /nfs/dbraw/zinc/81/67/50/1067816750.db2.gz CVGJJJQADXEMOR-VWLOTQADSA-N 1 0 459.590 4.738 20 0 JJADRO CCCOc1cc(C)ccc1C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC001461281006 1067817098 /nfs/dbraw/zinc/81/70/98/1067817098.db2.gz BKZVUJWERFJWEZ-UHFFFAOYSA-N 1 0 455.336 4.695 20 0 JJADRO CC[C@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461284300 1067817493 /nfs/dbraw/zinc/81/74/93/1067817493.db2.gz IHNPAWLAFMYXRA-XZOQPEGZSA-N 1 0 454.412 4.767 20 0 JJADRO CC[C@@H]([NH2+]Cc1c(Br)c2ccccc2n1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461282768 1067817633 /nfs/dbraw/zinc/81/76/33/1067817633.db2.gz VELHNKCZFFMZFQ-NFBKMPQASA-N 1 0 456.428 4.710 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001461307013 1067824445 /nfs/dbraw/zinc/82/44/45/1067824445.db2.gz HJSNQINRAHZXMH-PBWTXFEYSA-N 1 0 450.549 4.676 20 0 JJADRO Cc1nc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)sc1Br ZINC001461309440 1067825026 /nfs/dbraw/zinc/82/50/26/1067825026.db2.gz RZDWYCBJSOEQST-SNVBAGLBSA-N 1 0 455.731 4.650 20 0 JJADRO COC(=O)[C@@]1(NC(=O)[C@H](CC(C)C)c2ccc(Cl)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC001461308354 1067825151 /nfs/dbraw/zinc/82/51/51/1067825151.db2.gz XFKJWNIJKSKHET-ZEQKJWHPSA-N 1 0 457.014 4.794 20 0 JJADRO CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(SCC[NH+]4CCCC4)cc3)CC2=O)cc1 ZINC001461317676 1067827311 /nfs/dbraw/zinc/82/73/11/1067827311.db2.gz YKYDGCPDPGPOAJ-SFHVURJKSA-N 1 0 455.649 4.588 20 0 JJADRO COc1cc(CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OCC(F)F ZINC001461325203 1067828758 /nfs/dbraw/zinc/82/87/58/1067828758.db2.gz ZSCMGXZDXQUMMI-IAGOWNOFSA-N 1 0 450.526 4.569 20 0 JJADRO Cc1cc(Cl)ccc1Oc1ccc(F)cc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC001461331904 1067830756 /nfs/dbraw/zinc/83/07/56/1067830756.db2.gz LXFIYHYQSYNFOI-UHFFFAOYSA-N 1 0 452.979 4.626 20 0 JJADRO COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001461344386 1067834780 /nfs/dbraw/zinc/83/47/80/1067834780.db2.gz NWGNBGHOEMEEAR-XDJHFCHBSA-N 1 0 454.567 4.966 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)CC(F)F ZINC001461349995 1067835872 /nfs/dbraw/zinc/83/58/72/1067835872.db2.gz IGGPZFSYPWHCRD-LJQANCHMSA-N 1 0 451.489 4.716 20 0 JJADRO CC(=O)N1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)c2ccccc21 ZINC001461352318 1067836361 /nfs/dbraw/zinc/83/63/61/1067836361.db2.gz CMXPHLUJVKQMID-QFIPXVFZSA-N 1 0 453.384 4.839 20 0 JJADRO COc1cc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)ccc1OCC(F)(F)F ZINC001461362150 1067838774 /nfs/dbraw/zinc/83/87/74/1067838774.db2.gz FDJHNWLJEDLHCO-UHFFFAOYSA-N 1 0 452.395 4.997 20 0 JJADRO Cc1cc(Br)cn2c(C[NH2+]C(C)(C)COc3ncccc3C(F)(F)F)cnc12 ZINC001461362865 1067838895 /nfs/dbraw/zinc/83/88/95/1067838895.db2.gz WPULCEMJJOQARU-UHFFFAOYSA-N 1 0 457.294 4.766 20 0 JJADRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(Br)cc(Br)c2N)cc1 ZINC001461379957 1067842304 /nfs/dbraw/zinc/84/23/04/1067842304.db2.gz KWFNHNOIMPMKIS-ADLMAVQZSA-N 1 0 458.194 4.668 20 0 JJADRO COC(OC)c1ccc(F)c(C[NH2+][C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001461381713 1067843387 /nfs/dbraw/zinc/84/33/87/1067843387.db2.gz XSOBFUJPUAPJQF-UNMCSNQZSA-N 1 0 452.929 4.750 20 0 JJADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cnc(-c4ccncc4)s3)C2=O)ccc1Br ZINC001461416151 1067850663 /nfs/dbraw/zinc/85/06/63/1067850663.db2.gz DYPXMMVJMUNLMB-LJQANCHMSA-N 1 0 457.397 4.561 20 0 JJADRO CCOc1cc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)cc(Cl)c1OC ZINC001461427408 1067853540 /nfs/dbraw/zinc/85/35/40/1067853540.db2.gz GPVNTDWLHVKCES-UHFFFAOYSA-N 1 0 452.780 4.798 20 0 JJADRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC001461430375 1067854473 /nfs/dbraw/zinc/85/44/73/1067854473.db2.gz CNPSEYGYZYJOQK-OAHLLOKOSA-N 1 0 459.226 4.873 20 0 JJADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C[C@H]3CSCCN3Cc3ccccc3)cc12 ZINC001461432317 1067854985 /nfs/dbraw/zinc/85/49/85/1067854985.db2.gz HIXSTQOOAUJYJX-FQEVSTJZSA-N 1 0 458.075 4.855 20 0 JJADRO OC[C@@H](C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)Cc1ccccc1Br ZINC001461435172 1067855913 /nfs/dbraw/zinc/85/59/13/1067855913.db2.gz VWZOMTQWODVIGL-LJQANCHMSA-N 1 0 450.380 4.729 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)c21 ZINC001461435288 1067855921 /nfs/dbraw/zinc/85/59/21/1067855921.db2.gz WHWZISWEGPTYLW-HOFKKMOUSA-N 1 0 454.586 4.987 20 0 JJADRO COc1ccc(Cn2cc(C[NH2+][C@@H](Cc3cccc(Br)c3)CC3CC3)nn2)cc1 ZINC001461435682 1067855930 /nfs/dbraw/zinc/85/59/30/1067855930.db2.gz BQDYXJXQURBJRP-OAQYLSRUSA-N 1 0 455.400 4.599 20 0 JJADRO CCN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 ZINC001461445660 1067858141 /nfs/dbraw/zinc/85/81/41/1067858141.db2.gz VFFXENMIDWUUQU-UHFFFAOYSA-N 1 0 453.583 4.813 20 0 JJADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC001461450177 1067859555 /nfs/dbraw/zinc/85/95/55/1067859555.db2.gz ZJFNOJJLVRSMOL-NDEPHWFRSA-N 1 0 457.574 4.944 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC001461451813 1067859756 /nfs/dbraw/zinc/85/97/56/1067859756.db2.gz CFMBCYNMJBBUOG-UHFFFAOYSA-N 1 0 452.908 4.870 20 0 JJADRO Cn1cc(CC[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)c2ccc(F)cc21 ZINC001461453152 1067860368 /nfs/dbraw/zinc/86/03/68/1067860368.db2.gz KVVMVSRDJNBFMI-LJQANCHMSA-N 1 0 455.574 4.801 20 0 JJADRO COc1cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461465032 1067863327 /nfs/dbraw/zinc/86/33/27/1067863327.db2.gz QKMRQTBDCGLCTB-GOTSBHOMSA-N 1 0 455.639 4.923 20 0 JJADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001461465598 1067863783 /nfs/dbraw/zinc/86/37/83/1067863783.db2.gz VWPVBAKQTVQNGI-INIZCTEOSA-N 1 0 452.498 4.812 20 0 JJADRO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH2+]Cc2cccc(C3CCCC3)c2)C(F)(F)F)CC1 ZINC001461468447 1067864859 /nfs/dbraw/zinc/86/48/59/1067864859.db2.gz YTJYIFBLLXTUMY-NRFANRHFSA-N 1 0 455.565 4.917 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CCc1ccccc1Br)CCO2 ZINC001461474652 1067867665 /nfs/dbraw/zinc/86/76/65/1067867665.db2.gz YOXLUZDMOQYAMP-SFHVURJKSA-N 1 0 453.421 4.530 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001461479272 1067870359 /nfs/dbraw/zinc/87/03/59/1067870359.db2.gz GXEMGZNGCHPNGN-SFHVURJKSA-N 1 0 456.940 4.803 20 0 JJADRO CC1CC[NH+](Cc2ccccc2CNCc2cn(-c3ccccc3Br)nn2)CC1 ZINC001461488416 1067873474 /nfs/dbraw/zinc/87/34/74/1067873474.db2.gz MRQISBVMPBTEQH-UHFFFAOYSA-N 1 0 454.416 4.552 20 0 JJADRO CCOc1cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)ccc1OCc1c(F)cccc1Cl ZINC001461496243 1067875876 /nfs/dbraw/zinc/87/58/76/1067875876.db2.gz RQWOFSLUCYJOAX-HNNXBMFYSA-N 1 0 455.979 4.512 20 0 JJADRO OC[C@@H](C[NH2+]Cc1ccccc1OCc1ccncc1)Cc1ccc(F)c(Br)c1 ZINC001461514772 1067880073 /nfs/dbraw/zinc/88/00/73/1067880073.db2.gz QVJITGNQKPLICN-LJQANCHMSA-N 1 0 459.359 4.503 20 0 JJADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC001461514850 1067880166 /nfs/dbraw/zinc/88/01/66/1067880166.db2.gz STVNQKHOZUULIH-SFHVURJKSA-N 1 0 456.583 4.804 20 0 JJADRO COc1cc(OC)c(C[C@@H](C)[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)c(OC)c1 ZINC001461515701 1067880195 /nfs/dbraw/zinc/88/01/95/1067880195.db2.gz OMQDXHRFYFYQBP-MRXNPFEDSA-N 1 0 450.982 4.690 20 0 JJADRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1=O ZINC001461531672 1067882773 /nfs/dbraw/zinc/88/27/73/1067882773.db2.gz LJAHSSVYVRWXTR-QVKFZJNVSA-N 1 0 459.359 4.706 20 0 JJADRO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001546125096 1067883227 /nfs/dbraw/zinc/88/32/27/1067883227.db2.gz VCNNESXRZBYBBK-NVQXNPDNSA-N 1 0 455.687 4.593 20 0 JJADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC ZINC001461542676 1067885318 /nfs/dbraw/zinc/88/53/18/1067885318.db2.gz WQXSGOLEUNHDSO-LJQANCHMSA-N 1 0 451.407 4.825 20 0 JJADRO Cc1cccc(COc2c(C)cc(C[NH2+]CCn3cc(Br)ccc3=O)cc2C)c1 ZINC001461547269 1067886226 /nfs/dbraw/zinc/88/62/26/1067886226.db2.gz DLMMSVKDTQBQQW-UHFFFAOYSA-N 1 0 455.396 4.905 20 0 JJADRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC001461553198 1067887000 /nfs/dbraw/zinc/88/70/00/1067887000.db2.gz MNYLNCJSJPUGFU-SFHVURJKSA-N 1 0 454.567 4.604 20 0 JJADRO CCOc1cc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC001461561250 1067888358 /nfs/dbraw/zinc/88/83/58/1067888358.db2.gz QQNQWAZVFNOIKO-SFHVURJKSA-N 1 0 450.583 4.629 20 0 JJADRO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)[C@@H]1O ZINC001461565294 1067889873 /nfs/dbraw/zinc/88/98/73/1067889873.db2.gz LKGGKGAPFDMNCH-HIFRSBDPSA-N 1 0 452.292 4.772 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1C[NH2+]C[C@@H](O)C1CCC1 ZINC001461574700 1067891599 /nfs/dbraw/zinc/89/15/99/1067891599.db2.gz HQILGIWHSIMOHP-JOCHJYFZSA-N 1 0 456.384 4.986 20 0 JJADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC001461576502 1067892157 /nfs/dbraw/zinc/89/21/57/1067892157.db2.gz MDTYDCZCIKZIIE-BBRMVZONSA-N 1 0 457.880 4.786 20 0 JJADRO FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001461582699 1067893726 /nfs/dbraw/zinc/89/37/26/1067893726.db2.gz PBUDKGJIEVXXSV-JTHBVZDNSA-N 1 0 451.964 4.924 20 0 JJADRO COc1cc(NCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)ccc1OCC[NH+](C)C ZINC001461583498 1067893921 /nfs/dbraw/zinc/89/39/21/1067893921.db2.gz FPGFCVNDOXBSGK-UHFFFAOYSA-N 1 0 458.559 4.528 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH2+]CC(C)(C)C3(O)CCOCC3)n2)cc1 ZINC001461589047 1067895271 /nfs/dbraw/zinc/89/52/71/1067895271.db2.gz MYBNKJDOSSSVRM-UHFFFAOYSA-N 1 0 455.599 4.753 20 0 JJADRO CCOc1cc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC001461607339 1067900468 /nfs/dbraw/zinc/90/04/68/1067900468.db2.gz RBABYPKYCMTNCK-MRXNPFEDSA-N 1 0 450.501 4.739 20 0 JJADRO C[C@H](C[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001461610813 1067901267 /nfs/dbraw/zinc/90/12/67/1067901267.db2.gz ZUYIHIKFBRBHPD-NJYVYQBISA-N 1 0 453.030 4.839 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C12CCC2 ZINC001461621578 1067903324 /nfs/dbraw/zinc/90/33/24/1067903324.db2.gz VPXUIIMOQRFOIF-MOPGFXCFSA-N 1 0 450.505 4.817 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCS[C@H]2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001461622403 1067903752 /nfs/dbraw/zinc/90/37/52/1067903752.db2.gz DMUGHTKOTRACSF-YOEHRIQHSA-N 1 0 454.514 4.715 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cc(OC)cnc2F)cc1 ZINC001461624498 1067904052 /nfs/dbraw/zinc/90/40/52/1067904052.db2.gz HNXMSEPXQIVFEF-VXKWHMMOSA-N 1 0 459.562 4.511 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cccc(Cl)c2N)cc1F ZINC001461629426 1067905238 /nfs/dbraw/zinc/90/52/38/1067905238.db2.gz HVYNMPDXUGVDJA-PXNSSMCTSA-N 1 0 463.981 4.953 20 0 JJADRO O=[S@](CC[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)CC(F)(F)F ZINC001461634258 1067906371 /nfs/dbraw/zinc/90/63/71/1067906371.db2.gz ZCWTUSQUXDZZMU-SSEXGKCCSA-N 1 0 455.933 4.652 20 0 JJADRO COc1cc(C[NH2+]C[C@@H](C)c2ccccn2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461635793 1067906786 /nfs/dbraw/zinc/90/67/86/1067906786.db2.gz XPFLEWAPSHOKRQ-MRXNPFEDSA-N 1 0 457.933 4.794 20 0 JJADRO COCC[C@@H](C[NH2+][C@@H]1CCCSc2ccc(Br)cc21)NC(=O)OC(C)(C)C ZINC001461643689 1067908095 /nfs/dbraw/zinc/90/80/95/1067908095.db2.gz LFLKLFQGSPPZLH-DOTOQJQBSA-N 1 0 459.450 4.896 20 0 JJADRO CCON(CC)C(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2cc(OC)ccc2c1 ZINC001461641997 1067908128 /nfs/dbraw/zinc/90/81/28/1067908128.db2.gz ODXHDWTYVZIPFK-UHFFFAOYSA-N 1 0 458.562 4.591 20 0 JJADRO COc1cccc(-c2csc(C[NH2+]CCc3ccc(I)cc3)n2)c1 ZINC001461652311 1067910380 /nfs/dbraw/zinc/91/03/80/1067910380.db2.gz LQQQXQBYFXWXIE-UHFFFAOYSA-N 1 0 450.345 4.756 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC001461656291 1067911281 /nfs/dbraw/zinc/91/12/81/1067911281.db2.gz LIJWZSMRYFGKND-LJQANCHMSA-N 1 0 453.612 4.868 20 0 JJADRO COc1c(Br)cccc1C[NH2+][C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C ZINC001461669447 1067914691 /nfs/dbraw/zinc/91/46/91/1067914691.db2.gz PRFXQMWXWBUFNF-IPELMVKDSA-N 1 0 453.421 4.971 20 0 JJADRO CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC([NH2+]C(C)C)CC2)CCOCC1 ZINC001546126168 1067915171 /nfs/dbraw/zinc/91/51/71/1067915171.db2.gz RUXXICOSRNVJTQ-FQEVSTJZSA-N 1 0 473.637 4.731 20 0 JJADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC001461671420 1067915179 /nfs/dbraw/zinc/91/51/79/1067915179.db2.gz QCMDJSSRJIZORI-BFUOFWGJSA-N 1 0 451.792 4.783 20 0 JJADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC001461673752 1067915510 /nfs/dbraw/zinc/91/55/10/1067915510.db2.gz WNIOQYHDZLNHCS-CQSZACIVSA-N 1 0 458.356 4.560 20 0 JJADRO O[C@H]1COC[C@H]1[NH2+]Cc1ccc(Oc2ccc(Br)cc2Br)cc1Cl ZINC001461678346 1067916574 /nfs/dbraw/zinc/91/65/74/1067916574.db2.gz RRZRTCPOVDGOBL-CVEARBPZSA-N 1 0 477.580 4.507 20 0 JJADRO C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CN1C(=O)OC(C)(C)C ZINC001461684929 1067917864 /nfs/dbraw/zinc/91/78/64/1067917864.db2.gz RXHUANPNBBBXHX-GXTWGEPZSA-N 1 0 455.422 4.778 20 0 JJADRO CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CCCC1 ZINC001546126384 1067921229 /nfs/dbraw/zinc/92/12/29/1067921229.db2.gz VVSSDOZNUQEKIW-RTWAWAEBSA-N 1 0 473.637 4.685 20 0 JJADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001461699437 1067921274 /nfs/dbraw/zinc/92/12/74/1067921274.db2.gz FGCDNFLDPPBQOV-QUCCMNQESA-N 1 0 459.660 4.857 20 0 JJADRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(Br)cc2cccnc21 ZINC001461717111 1067923954 /nfs/dbraw/zinc/92/39/54/1067923954.db2.gz SPZBLCAAMCBMIB-JOCHJYFZSA-N 1 0 452.396 4.980 20 0 JJADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC001461717765 1067924403 /nfs/dbraw/zinc/92/44/03/1067924403.db2.gz RTGUBAIXVPOEDH-FQEVSTJZSA-N 1 0 453.455 4.809 20 0 JJADRO COc1cc(Br)c(C[NH2+]CCN(Cc2ccccc2)c2ccccn2)c(OC)c1 ZINC001461733990 1067927368 /nfs/dbraw/zinc/92/73/68/1067927368.db2.gz BJOCIWGKFGHNKH-UHFFFAOYSA-N 1 0 456.384 4.658 20 0 JJADRO COc1cccc(Sc2ccccc2C[NH2+]C[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC001461737396 1067927760 /nfs/dbraw/zinc/92/77/60/1067927760.db2.gz UNNZKBBMCCVJQK-RUZDIDTESA-N 1 0 458.624 4.962 20 0 JJADRO COc1cccc(Sc2ccccc2C[NH2+]C[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC001461737400 1067927788 /nfs/dbraw/zinc/92/77/88/1067927788.db2.gz UNNZKBBMCCVJQK-VWLOTQADSA-N 1 0 458.624 4.962 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC2(CCOCC2)C1 ZINC001461754660 1067930890 /nfs/dbraw/zinc/93/08/90/1067930890.db2.gz QELWAPNBULGPNR-GOSISDBHSA-N 1 0 458.521 4.524 20 0 JJADRO COC1(OC)CCOC[C@H]1CC[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC001461760552 1067932310 /nfs/dbraw/zinc/93/23/10/1067932310.db2.gz JWRDLZIMUOUNPR-GOSISDBHSA-N 1 0 450.373 4.747 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC001461776783 1067935387 /nfs/dbraw/zinc/93/53/87/1067935387.db2.gz VCAVBOLMJNQOJJ-WFIHMLKPSA-N 1 0 452.595 4.569 20 0 JJADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC001461786149 1067936846 /nfs/dbraw/zinc/93/68/46/1067936846.db2.gz RCAHQZQLJGQOKP-TZIWHRDSSA-N 1 0 450.938 4.995 20 0 JJADRO CSc1ccc(Br)cc1CC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC001461788643 1067937215 /nfs/dbraw/zinc/93/72/15/1067937215.db2.gz VODIULVXEHYEPT-UHFFFAOYSA-N 1 0 455.849 4.993 20 0 JJADRO CC1(C)CCC[C@H](C[NH2+]Cc2cc(I)c(Br)cc2F)O1 ZINC001461792728 1067937852 /nfs/dbraw/zinc/93/78/52/1067937852.db2.gz GZAXHZZIRBJBLG-LLVKDONJSA-N 1 0 456.137 4.630 20 0 JJADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@H]2CCC[C@H]2C(=O)OC(C)(C)C)cc1Br ZINC001461815712 1067941401 /nfs/dbraw/zinc/94/14/01/1067941401.db2.gz YJOIJOVAHWLVCL-OHNRDTAOSA-N 1 0 460.384 4.870 20 0 JJADRO C/C=C/COc1cccc(CC(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)c1 ZINC001461836195 1067943991 /nfs/dbraw/zinc/94/39/91/1067943991.db2.gz LJMVNGBITBLYDS-KTBYTZPXSA-N 1 0 457.412 4.856 20 0 JJADRO Brc1cc(Br)cc(C[NH2+][C@H]2C[C@@]3(CCOC3)Oc3ccccc32)c1 ZINC001461835439 1067944045 /nfs/dbraw/zinc/94/40/45/1067944045.db2.gz IIPLYQARAKZUAL-PKOBYXMFSA-N 1 0 453.174 4.984 20 0 JJADRO Cc1ccc(C[NH2+]C[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c(-c2ccnn2C)c1 ZINC001461839475 1067944989 /nfs/dbraw/zinc/94/49/89/1067944989.db2.gz SFDLRHFRCGGDTL-HXUWFJFHSA-N 1 0 457.418 4.954 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3CC[C@H](CSc4ccccc4)C3)o2)CC1 ZINC001461845373 1067945819 /nfs/dbraw/zinc/94/58/19/1067945819.db2.gz PWWBVKIYWWVTKR-FQEVSTJZSA-N 1 0 457.640 4.951 20 0 JJADRO COCC[N@H+](CCCOc1ccc(F)cc1)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001461849351 1067946653 /nfs/dbraw/zinc/94/66/53/1067946653.db2.gz LEFJXPRQNOSFNX-XDNSSPFJSA-N 1 0 450.595 4.721 20 0 JJADRO COC(=O)c1cc(CN2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)n(C)c1C ZINC001461855879 1067948116 /nfs/dbraw/zinc/94/81/16/1067948116.db2.gz VSCDLJWUPMQFEX-VWLOTQADSA-N 1 0 451.998 4.681 20 0 JJADRO Cn1ncc(C(=O)OC(C)(C)C)c1CN1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001461870499 1067951228 /nfs/dbraw/zinc/95/12/28/1067951228.db2.gz QXHXJPFERYIJCN-UHFFFAOYSA-N 1 0 454.398 4.973 20 0 JJADRO Cc1cc(CN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)c(Br)cc1F ZINC001461871777 1067951682 /nfs/dbraw/zinc/95/16/82/1067951682.db2.gz JTJUQJPNWHAEON-CQSZACIVSA-N 1 0 450.270 4.787 20 0 JJADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC001461874048 1067952180 /nfs/dbraw/zinc/95/21/80/1067952180.db2.gz LFDMVPDKMLBDEB-YADHBBJMSA-N 1 0 453.608 4.979 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC001461874443 1067952548 /nfs/dbraw/zinc/95/25/48/1067952548.db2.gz VVKIPKNWFYNRDN-UHFFFAOYSA-N 1 0 455.400 4.612 20 0 JJADRO CCOC(=O)Cn1cc(C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)c(-c2cccnc2)n1 ZINC001461890334 1067955439 /nfs/dbraw/zinc/95/54/39/1067955439.db2.gz ZVCKJPFLJPRTBN-UHFFFAOYSA-N 1 0 454.521 4.731 20 0 JJADRO C[N@H+](Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)Cc1cccc(C(F)(F)F)c1 ZINC001461891126 1067955828 /nfs/dbraw/zinc/95/58/28/1067955828.db2.gz BKSBKPRBWDEXJJ-UHFFFAOYSA-N 1 0 453.505 4.988 20 0 JJADRO Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC001461897990 1067957209 /nfs/dbraw/zinc/95/72/09/1067957209.db2.gz FCFXUIQFYXCEMK-QFIPXVFZSA-N 1 0 451.611 4.515 20 0 JJADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C(C)C)cc1 ZINC001461900597 1067957934 /nfs/dbraw/zinc/95/79/34/1067957934.db2.gz VVSTYFPRWHBONJ-IBGZPJMESA-N 1 0 458.505 4.834 20 0 JJADRO COc1cccc(COc2ccc(C[NH+]3CCC(NC(=O)NC4CCCCC4)CC3)cc2)c1 ZINC001461904819 1067958696 /nfs/dbraw/zinc/95/86/96/1067958696.db2.gz DASCFHAJICXEAT-UHFFFAOYSA-N 1 0 451.611 4.871 20 0 JJADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1)c1ccccc1 ZINC001461915714 1067960797 /nfs/dbraw/zinc/96/07/97/1067960797.db2.gz KDOYOSAYQXATAF-FQEVSTJZSA-N 1 0 456.512 4.592 20 0 JJADRO COC(=O)[C@H](C)Oc1ccccc1C[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929611 1067962946 /nfs/dbraw/zinc/96/29/46/1067962946.db2.gz XJSGCKGZICPSBR-VQTJNVASSA-N 1 0 455.599 4.902 20 0 JJADRO CN(C[C@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)OC(C)(C)C ZINC001461931838 1067963218 /nfs/dbraw/zinc/96/32/18/1067963218.db2.gz BYSLWCCYNIAKNH-HXUWFJFHSA-N 1 0 452.521 4.782 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN3CCC[N@H+](CC4CCCCC4)CC3)o2)C1 ZINC001461937823 1067964530 /nfs/dbraw/zinc/96/45/30/1067964530.db2.gz QPWOIDRLQHRDPZ-HSZRJFAPSA-N 1 0 459.675 4.926 20 0 JJADRO COC1(C[NH+]2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)CCCCC1 ZINC001461953718 1067968236 /nfs/dbraw/zinc/96/82/36/1067968236.db2.gz JPRKXJBMEPLALE-QGZVFWFLSA-N 1 0 452.521 4.783 20 0 JJADRO COC1(C[NH+]2CCN([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)CCCCC1 ZINC001461953717 1067968259 /nfs/dbraw/zinc/96/82/59/1067968259.db2.gz JPRKXJBMEPLALE-KRWDZBQOSA-N 1 0 452.521 4.783 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)o2)CC1 ZINC001461977182 1067973570 /nfs/dbraw/zinc/97/35/70/1067973570.db2.gz PADPBJLIPVQEDJ-UHFFFAOYSA-N 1 0 455.599 4.518 20 0 JJADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001461996306 1067977163 /nfs/dbraw/zinc/97/71/63/1067977163.db2.gz QZRUZOKHUYNMBH-CUWPLCDZSA-N 1 0 455.599 4.778 20 0 JJADRO CCOc1ccc(C[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C(=O)OC)cc1 ZINC001462002462 1067978037 /nfs/dbraw/zinc/97/80/37/1067978037.db2.gz RVGLGTNKGIUHOT-QAPCUYQASA-N 1 0 452.364 4.539 20 0 JJADRO CN(C)c1nc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(Cl)n1-c1ccccc1 ZINC001462009266 1067979636 /nfs/dbraw/zinc/97/96/36/1067979636.db2.gz MRCPKZHNTSSDEY-UHFFFAOYSA-N 1 0 458.437 4.953 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)c1cnc(Br)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001462041561 1067987863 /nfs/dbraw/zinc/98/78/63/1067987863.db2.gz IXEMLVLOAHPCQR-AWEZNQCLSA-N 1 0 451.579 4.837 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC001462048834 1067989996 /nfs/dbraw/zinc/98/99/96/1067989996.db2.gz FBIVAITYWHTWSU-NBHGPNQESA-N 1 0 456.608 4.856 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC001462048835 1067990013 /nfs/dbraw/zinc/99/00/13/1067990013.db2.gz FBIVAITYWHTWSU-SCWSEQNSSA-N 1 0 456.608 4.856 20 0 JJADRO CC[C@H](CC(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1)c1ccc(C)cc1 ZINC001462051470 1067991387 /nfs/dbraw/zinc/99/13/87/1067991387.db2.gz POAPUZYANPSCIL-HXUWFJFHSA-N 1 0 452.599 4.970 20 0 JJADRO Cc1cc(Br)c(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)cc1Br ZINC001462056827 1067992763 /nfs/dbraw/zinc/99/27/63/1067992763.db2.gz FNICFWXCTBZPOU-UHFFFAOYSA-N 1 0 450.215 4.913 20 0 JJADRO CC[C@H]1CN(Cc2c(Br)cncc2Br)CC[N@@H+]1Cc1ccccc1 ZINC001462059416 1067993228 /nfs/dbraw/zinc/99/32/28/1067993228.db2.gz WNLDMTOJHHYPHL-INIZCTEOSA-N 1 0 453.222 4.703 20 0 JJADRO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC001462105160 1068003686 /nfs/dbraw/zinc/00/36/86/1068003686.db2.gz NPLFMDXIYZCGNX-UHFFFAOYSA-N 1 0 451.394 4.766 20 0 JJADRO CC(C)(C)OC(=O)NCCN1CCC([NH2+]Cc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC001462105617 1068004401 /nfs/dbraw/zinc/00/44/01/1068004401.db2.gz RHQIEQAIRGJORT-UHFFFAOYSA-N 1 0 456.612 4.635 20 0 JJADRO CSc1ncc(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1-c1ccc(F)cc1 ZINC001462109918 1068005993 /nfs/dbraw/zinc/00/59/93/1068005993.db2.gz CPOWEWBQJPBVMQ-NRFANRHFSA-N 1 0 452.599 4.908 20 0 JJADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001462111436 1068006796 /nfs/dbraw/zinc/00/67/96/1068006796.db2.gz KIOMDGNBITWSRD-SJCJKPOMSA-N 1 0 459.281 4.933 20 0 JJADRO CCOc1cc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc(Br)c1O ZINC001462117655 1068007951 /nfs/dbraw/zinc/00/79/51/1068007951.db2.gz BAFOIPQREXNPLJ-CQSZACIVSA-N 1 0 459.306 4.941 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)CCCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(F)c2)no1 ZINC001462118293 1068007984 /nfs/dbraw/zinc/00/79/84/1068007984.db2.gz CFQQTGYBAUWTMB-DLBZAZTESA-N 1 0 450.514 4.771 20 0 JJADRO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001462118296 1068008016 /nfs/dbraw/zinc/00/80/16/1068008016.db2.gz CFQQTGYBAUWTMB-SJORKVTESA-N 1 0 450.514 4.771 20 0 JJADRO CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001546129551 1068012046 /nfs/dbraw/zinc/01/20/46/1068012046.db2.gz KHNTWWMTMBGGJR-UHFFFAOYSA-N 1 0 477.495 4.937 20 0 JJADRO Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)ccc1-c1ccccc1 ZINC001462131381 1068012421 /nfs/dbraw/zinc/01/24/21/1068012421.db2.gz YKAFGJOPZPPTGZ-QFIPXVFZSA-N 1 0 451.611 4.515 20 0 JJADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]CC1(C)CCN(C(=O)OCC)CC1 ZINC001462133537 1068012975 /nfs/dbraw/zinc/01/29/75/1068012975.db2.gz WTVBBCRTZMILSF-HXUWFJFHSA-N 1 0 455.437 4.635 20 0 JJADRO CC(C)(C)OC(=O)NCc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001462149784 1068015718 /nfs/dbraw/zinc/01/57/18/1068015718.db2.gz QVZSEDUWCLLMBR-SANMLTNESA-N 1 0 459.631 4.934 20 0 JJADRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC001462150959 1068016726 /nfs/dbraw/zinc/01/67/26/1068016726.db2.gz ZAFQJMBKOHKQPM-UHFFFAOYSA-N 1 0 457.821 4.760 20 0 JJADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462153803 1068017699 /nfs/dbraw/zinc/01/76/99/1068017699.db2.gz DJJOTCSNXYCLIE-KPZWWZAWSA-N 1 0 458.183 4.918 20 0 JJADRO COc1cc(C[NH+]2CCC(Nc3cccc(Br)c3)CC2)ccc1OC(=O)C1CC1 ZINC001462158761 1068018606 /nfs/dbraw/zinc/01/86/06/1068018606.db2.gz VUVSKSACLSVXAU-UHFFFAOYSA-N 1 0 459.384 4.850 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001462165643 1068020349 /nfs/dbraw/zinc/02/03/49/1068020349.db2.gz XREKIDPPMRITQH-AVRDEDQJSA-N 1 0 452.437 4.655 20 0 JJADRO Brc1cccc(OCC[N@@H+](Cc2cccc3c2OCO3)C[C@H]2CCCS2)c1 ZINC001462169982 1068020954 /nfs/dbraw/zinc/02/09/54/1068020954.db2.gz LBAGSHAOBQNXLE-LJQANCHMSA-N 1 0 450.398 4.954 20 0 JJADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC001462171801 1068021330 /nfs/dbraw/zinc/02/13/30/1068021330.db2.gz VNFGUZKVWKUCSA-HOCLYGCPSA-N 1 0 452.382 4.596 20 0 JJADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462183919 1068024186 /nfs/dbraw/zinc/02/41/86/1068024186.db2.gz NYRSFXMSJVTZAH-IIDMSEBBSA-N 1 0 454.409 4.544 20 0 JJADRO COc1ccc(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)c(Br)c1 ZINC001462188371 1068025008 /nfs/dbraw/zinc/02/50/08/1068025008.db2.gz CQCVFIMSSOJMJE-UHFFFAOYSA-N 1 0 456.222 4.784 20 0 JJADRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)CCc2ccc(I)cc2)cc1OC ZINC001462188855 1068025214 /nfs/dbraw/zinc/02/52/14/1068025214.db2.gz GUPZLMHWGSXWKM-HOTGVXAUSA-N 1 0 453.364 4.850 20 0 JJADRO COc1ccc(C[C@H](C)[NH2+][C@H](C)CCc2ccc(I)cc2)cc1OC ZINC001462188853 1068025232 /nfs/dbraw/zinc/02/52/32/1068025232.db2.gz GUPZLMHWGSXWKM-CVEARBPZSA-N 1 0 453.364 4.850 20 0 JJADRO C[C@H]([NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)c1cccc(OCc2ccccc2)c1 ZINC001462191553 1068026074 /nfs/dbraw/zinc/02/60/74/1068026074.db2.gz OKROXZQCKVRTQW-NRFANRHFSA-N 1 0 453.627 4.905 20 0 JJADRO COc1cc(C)c(C[NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)c(C)n1 ZINC001462193942 1068026504 /nfs/dbraw/zinc/02/65/04/1068026504.db2.gz VYEPNBHYZLJINT-UHFFFAOYSA-N 1 0 457.372 4.899 20 0 JJADRO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001462198878 1068027661 /nfs/dbraw/zinc/02/76/61/1068027661.db2.gz FNSNFZGMTOACPS-KBXCAEBGSA-N 1 0 455.393 4.503 20 0 JJADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001462207441 1068028820 /nfs/dbraw/zinc/02/88/20/1068028820.db2.gz XKHBLUZKPFIAPH-LBPRGKRZSA-N 1 0 450.320 4.592 20 0 JJADRO COc1ccc(C[N@@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)c(OCc2cccnc2)c1 ZINC001462216717 1068030724 /nfs/dbraw/zinc/03/07/24/1068030724.db2.gz IPZORIFUXWMFHE-QHCPKHFHSA-N 1 0 453.583 4.693 20 0 JJADRO O=S(=O)(NCC[NH2+]CCCc1c(Cl)cccc1Cl)c1cccc(Cl)c1Cl ZINC001462217351 1068030773 /nfs/dbraw/zinc/03/07/73/1068030773.db2.gz WCPMDRBADMNISG-UHFFFAOYSA-N 1 0 456.222 4.801 20 0 JJADRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC001462224311 1068032526 /nfs/dbraw/zinc/03/25/26/1068032526.db2.gz GEJOSEFAJARTGU-OAQYLSRUSA-N 1 0 456.384 4.995 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001462227427 1068032816 /nfs/dbraw/zinc/03/28/16/1068032816.db2.gz DFFZTHDWYSXEFV-XMMPIXPASA-N 1 0 451.652 4.747 20 0 JJADRO COc1cc(C[N@@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cc(OC)c1OCC(F)F ZINC001462228618 1068033446 /nfs/dbraw/zinc/03/34/46/1068033446.db2.gz RNNHCMIAKLMHME-KRWDZBQOSA-N 1 0 458.546 4.617 20 0 JJADRO COCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)c1cccc(C(F)(F)F)c1 ZINC001462234211 1068034991 /nfs/dbraw/zinc/03/49/91/1068034991.db2.gz GAIPXOYNTSMGEZ-MGPUTAFESA-N 1 0 452.473 4.577 20 0 JJADRO C[C@@H]1C[C@H](NCc2c(Br)cncc2Br)C[N@H+](Cc2ccccc2)C1 ZINC001462255830 1068038971 /nfs/dbraw/zinc/03/89/71/1068038971.db2.gz AMQKFOHJFLZNBV-ZBFHGGJFSA-N 1 0 453.222 4.607 20 0 JJADRO CCOc1ccc([C@H](O)C2CC[NH+](Cc3ccc(C(=O)OC)cc3C(F)(F)F)CC2)cc1 ZINC001462276112 1068042358 /nfs/dbraw/zinc/04/23/58/1068042358.db2.gz NSGHEALZPTZEIC-QFIPXVFZSA-N 1 0 451.485 4.836 20 0 JJADRO O[C@@H](c1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293087 1068045411 /nfs/dbraw/zinc/04/54/11/1068045411.db2.gz HODBWIKSXYUPTB-OFNKIYASSA-N 1 0 458.375 4.779 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 ZINC001462294485 1068046200 /nfs/dbraw/zinc/04/62/00/1068046200.db2.gz AEYYYTPDUWKQEK-QGZVFWFLSA-N 1 0 454.493 4.721 20 0 JJADRO CCc1ccccc1[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(OC)c1)NC(=O)OC(C)(C)C ZINC001462318973 1068050032 /nfs/dbraw/zinc/05/00/32/1068050032.db2.gz YETJKQIDDOZZLY-MBSDFSHPSA-N 1 0 455.599 4.830 20 0 JJADRO COc1cc(CC2C[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)cc(OC)c1 ZINC001462321317 1068050543 /nfs/dbraw/zinc/05/05/43/1068050543.db2.gz CMTZHBAEDWKIHA-UHFFFAOYSA-N 1 0 458.624 4.733 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2OCC(F)F)C[C@H]1c1ccccc1F ZINC001462337042 1068053605 /nfs/dbraw/zinc/05/36/05/1068053605.db2.gz ALWMZXUKSWRGQF-AZUAARDMSA-N 1 0 450.501 4.962 20 0 JJADRO CCOc1c(Cl)cccc1C[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001462361342 1068059678 /nfs/dbraw/zinc/05/96/78/1068059678.db2.gz NKEWUSGUSNLBGK-ZWKOTPCHSA-N 1 0 452.776 4.890 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC001462360917 1068059766 /nfs/dbraw/zinc/05/97/66/1068059766.db2.gz LFWLUDOMZVADFL-DLBZAZTESA-N 1 0 468.775 4.508 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001462363778 1068060662 /nfs/dbraw/zinc/06/06/62/1068060662.db2.gz CXMZEXFXUOSNCO-ONUIULTDSA-N 1 0 451.652 4.980 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001462363798 1068060694 /nfs/dbraw/zinc/06/06/94/1068060694.db2.gz CXMZEXFXUOSNCO-SRHPJPHMSA-N 1 0 451.652 4.980 20 0 JJADRO CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)Cc1ccc(OC)c(F)c1 ZINC001462367145 1068061134 /nfs/dbraw/zinc/06/11/34/1068061134.db2.gz ODEWVCCTJQFNIV-HFSMHLIXSA-N 1 0 452.492 4.684 20 0 JJADRO CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)Cc1ccc(OC)c(F)c1 ZINC001462367140 1068061184 /nfs/dbraw/zinc/06/11/84/1068061184.db2.gz ODEWVCCTJQFNIV-FBBABVLZSA-N 1 0 452.492 4.684 20 0 JJADRO CCOC(=O)/C=C\c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001462398225 1068065809 /nfs/dbraw/zinc/06/58/09/1068065809.db2.gz RGEXCOIFLDXXRU-QHODPUCZSA-N 1 0 455.558 4.512 20 0 JJADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)C1 ZINC001462413681 1068069208 /nfs/dbraw/zinc/06/92/08/1068069208.db2.gz VBSMSBSETBJVCK-PMACEKPBSA-N 1 0 454.558 4.900 20 0 JJADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cc(Br)cc(Br)c2)C1 ZINC001462413877 1068070004 /nfs/dbraw/zinc/07/00/04/1068070004.db2.gz MIMJSAZFBBHTOQ-HXUWFJFHSA-N 1 0 452.234 4.960 20 0 JJADRO CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC001462439931 1068074845 /nfs/dbraw/zinc/07/48/45/1068074845.db2.gz QBHAADGBEGNPNS-QGLKVJOYSA-N 1 0 451.652 4.932 20 0 JJADRO C[C@H]1C[N@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1C(=O)OC(C)(C)C ZINC001462442329 1068075204 /nfs/dbraw/zinc/07/52/04/1068075204.db2.gz QROFWFJITDBHMD-LPHOPBHVSA-N 1 0 450.645 4.841 20 0 JJADRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001462450236 1068076963 /nfs/dbraw/zinc/07/69/63/1068076963.db2.gz WWEKLXMMTIFMNH-BJKOFHAPSA-N 1 0 457.659 4.859 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460715 1068079334 /nfs/dbraw/zinc/07/93/34/1068079334.db2.gz ZHAFOBITZZTWHB-HXUWFJFHSA-N 1 0 455.496 4.655 20 0 JJADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462460298 1068079736 /nfs/dbraw/zinc/07/97/36/1068079736.db2.gz RUAQGDWXSOCCMP-QRWLVFNGSA-N 1 0 453.371 4.972 20 0 JJADRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC001462479259 1068081626 /nfs/dbraw/zinc/08/16/26/1068081626.db2.gz KJXUPMIGMVJKFW-IVDHNXQLSA-N 1 0 451.652 4.646 20 0 JJADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC001462484070 1068082820 /nfs/dbraw/zinc/08/28/20/1068082820.db2.gz IBLJLEBFQZQEKY-OAQYLSRUSA-N 1 0 459.432 4.735 20 0 JJADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001462511205 1068088426 /nfs/dbraw/zinc/08/84/26/1068088426.db2.gz VXQLQGPXXNSUSN-MNEFBYGVSA-N 1 0 455.521 4.578 20 0 JJADRO CN(C)c1nc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521929 1068090951 /nfs/dbraw/zinc/09/09/51/1068090951.db2.gz KEZGXWVEIPKEEB-ZIAGYGMSSA-N 1 0 455.853 4.539 20 0 JJADRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001462536115 1068093391 /nfs/dbraw/zinc/09/33/91/1068093391.db2.gz BALTWVJQULFJEQ-DEOSSOPVSA-N 1 0 451.611 4.838 20 0 JJADRO CCOC(=O)c1sc(CC2CC[NH+](Cc3cn(-c4cccc(F)c4)nc3C)CC2)nc1C ZINC001462550922 1068096399 /nfs/dbraw/zinc/09/63/99/1068096399.db2.gz SDGJTQSTNTYFIQ-UHFFFAOYSA-N 1 0 456.587 4.716 20 0 JJADRO CCc1ccc2ccccc2c1C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C ZINC001462575121 1068101889 /nfs/dbraw/zinc/10/18/89/1068101889.db2.gz XRPAUOPKTJMJAH-HXUWFJFHSA-N 1 0 450.627 4.917 20 0 JJADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](C[C@@H](C)c1ccc(C(F)(F)F)cc1)C2 ZINC001462575834 1068102310 /nfs/dbraw/zinc/10/23/10/1068102310.db2.gz FBAMCQVABKQJIA-JYISGYRJSA-N 1 0 470.532 4.587 20 0 JJADRO C[C@@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001462575858 1068102441 /nfs/dbraw/zinc/10/24/41/1068102441.db2.gz HCNWVKZBADUCED-REWPJTCUSA-N 1 0 453.627 4.952 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001462595451 1068107549 /nfs/dbraw/zinc/10/75/49/1068107549.db2.gz NFAZKSWZGOKTRI-ZHHKINOHSA-N 1 0 459.631 4.625 20 0 JJADRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 ZINC001462597631 1068108221 /nfs/dbraw/zinc/10/82/21/1068108221.db2.gz ZLFVWIIQTZSMFJ-FCJDFRRUSA-N 1 0 456.627 4.881 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccccc2COC2CCOCC2)CCCCC1 ZINC001462623833 1068115620 /nfs/dbraw/zinc/11/56/20/1068115620.db2.gz JPRMITPGCMXPLT-UHFFFAOYSA-N 1 0 450.623 4.947 20 0 JJADRO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 ZINC001462639236 1068120898 /nfs/dbraw/zinc/12/08/98/1068120898.db2.gz SWWNZBCMIRBKOF-IIBYNOLFSA-N 1 0 458.400 4.663 20 0 JJADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH+]1CCC(c2cc(C)cc(C)c2)CC1 ZINC001462639925 1068121464 /nfs/dbraw/zinc/12/14/64/1068121464.db2.gz YMFVIEYVOGKAES-SFHVURJKSA-N 1 0 459.428 4.959 20 0 JJADRO CCOc1cc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462647350 1068123112 /nfs/dbraw/zinc/12/31/12/1068123112.db2.gz ZPZAMDQEYIORKX-HXUWFJFHSA-N 1 0 455.938 4.954 20 0 JJADRO CCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)CC1 ZINC001462686906 1068132094 /nfs/dbraw/zinc/13/20/94/1068132094.db2.gz GDSRPKLXLPMKDQ-UHFFFAOYSA-N 1 0 458.546 4.569 20 0 JJADRO COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001462716335 1068140568 /nfs/dbraw/zinc/14/05/68/1068140568.db2.gz XBSKOGBXZAMEGP-RUZDIDTESA-N 1 0 456.542 4.579 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001462721167 1068142444 /nfs/dbraw/zinc/14/24/44/1068142444.db2.gz AAVJXKFHLKZCFZ-MSNJVRRCSA-N 1 0 497.705 4.973 20 0 JJADRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001462731950 1068147102 /nfs/dbraw/zinc/14/71/02/1068147102.db2.gz VUEAVXVEVVOKFQ-IBGZPJMESA-N 1 0 453.530 4.756 20 0 JJADRO Cc1ccc(C2(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)CCCCC2)c(Br)c1 ZINC001462749606 1068154399 /nfs/dbraw/zinc/15/43/99/1068154399.db2.gz QFWDDFFPAKRQJD-UXHICEINSA-N 1 0 451.474 4.655 20 0 JJADRO CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)cc21 ZINC001462775160 1068164292 /nfs/dbraw/zinc/16/42/92/1068164292.db2.gz HBJWHDCCTZYPRE-UHFFFAOYSA-N 1 0 455.624 4.551 20 0 JJADRO CCN(Cc1cccs1)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001462791224 1068168517 /nfs/dbraw/zinc/16/85/17/1068168517.db2.gz GXNIZTYCTZNNJU-BJKOFHAPSA-N 1 0 458.624 4.707 20 0 JJADRO CC1([NH+]2CCCC2)CCC(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001462821349 1068176245 /nfs/dbraw/zinc/17/62/45/1068176245.db2.gz KUVQUQZRWRMNQU-GTPZEUEISA-N 1 0 452.426 4.511 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC001462829527 1068181372 /nfs/dbraw/zinc/18/13/72/1068181372.db2.gz HFELRLAULLDSME-IYBDPMFKSA-N 1 0 458.521 4.801 20 0 JJADRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894896 1068206572 /nfs/dbraw/zinc/20/65/72/1068206572.db2.gz GOCZKGPULNKXIX-IEBWSBKVSA-N 1 0 451.430 4.604 20 0 JJADRO COc1c(C)cc(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)cc1C ZINC001462919190 1068214195 /nfs/dbraw/zinc/21/41/95/1068214195.db2.gz CCEHYRXIBDMMNG-UHFFFAOYSA-N 1 0 459.439 4.761 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001546135186 1068215422 /nfs/dbraw/zinc/21/54/22/1068215422.db2.gz QFMLMSXRGMPZNX-ISKFKSNPSA-N 1 0 459.993 4.801 20 0 JJADRO CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001462947670 1068225157 /nfs/dbraw/zinc/22/51/57/1068225157.db2.gz TWAGMGYAEMDSKI-NRFANRHFSA-N 1 0 459.556 4.801 20 0 JJADRO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003810 1068246302 /nfs/dbraw/zinc/24/63/02/1068246302.db2.gz VRSVOLLEQRQZCG-NYHFZMIOSA-N 1 0 452.904 4.907 20 0 JJADRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2cc(Br)ccc2F)CCCC1)c1ccccc1 ZINC001463034965 1068258933 /nfs/dbraw/zinc/25/89/33/1068258933.db2.gz KIYOMUVDTXHQGA-OAHLLOKOSA-N 1 0 455.393 4.530 20 0 JJADRO CC(C)C[C@H](CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2)[NH2+][C@@H](C)c1ccccc1 ZINC001463071519 1068276623 /nfs/dbraw/zinc/27/66/23/1068276623.db2.gz CETKITWCYYIYBX-ABSDTBQOSA-N 1 0 451.032 4.707 20 0 JJADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463150875 1068304106 /nfs/dbraw/zinc/30/41/06/1068304106.db2.gz RWPGUAVFBYFPRQ-CTVOUCONSA-N 1 0 477.649 4.806 20 0 JJADRO C[C@@]1(NC(=O)c2cccc(OCC(F)F)n2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463151247 1068304978 /nfs/dbraw/zinc/30/49/78/1068304978.db2.gz VRMOBLSLYDLRFP-HFZDXXHNSA-N 1 0 451.517 4.514 20 0 JJADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001463229743 1068328013 /nfs/dbraw/zinc/32/80/13/1068328013.db2.gz IVAZLPXSTIURKT-ZJSXRUAMSA-N 1 0 450.604 4.597 20 0 JJADRO CCCOc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1CC ZINC001463278440 1068341751 /nfs/dbraw/zinc/34/17/51/1068341751.db2.gz GLHNJVHCTLANMD-UKILVPOCSA-N 1 0 456.652 4.713 20 0 JJADRO CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001463277047 1068342063 /nfs/dbraw/zinc/34/20/63/1068342063.db2.gz DKGQKMMJAWPFMH-LADGPHEKSA-N 1 0 454.636 4.591 20 0 JJADRO COc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C(C)C ZINC001463286668 1068345111 /nfs/dbraw/zinc/34/51/11/1068345111.db2.gz ZPLPVLPPSQAXCX-VWNXMTODSA-N 1 0 456.652 4.802 20 0 JJADRO Cc1c(I)cccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463345230 1068365233 /nfs/dbraw/zinc/36/52/33/1068365233.db2.gz VJTYBYDOPSJEOR-HSALFYBXSA-N 1 0 474.386 4.630 20 0 JJADRO CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001463362418 1068371891 /nfs/dbraw/zinc/37/18/91/1068371891.db2.gz AHTRZDZBDYNPPT-NRFANRHFSA-N 1 0 454.014 4.596 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3OCc3cccc(Br)c3)C[C@@H]2C1 ZINC001463371796 1068375204 /nfs/dbraw/zinc/37/52/04/1068375204.db2.gz BLHDZDDEVBPPAN-IRFCIJBXSA-N 1 0 457.412 4.830 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3OCc3cccc(Br)c3)C[C@H]2C1 ZINC001463371808 1068375279 /nfs/dbraw/zinc/37/52/79/1068375279.db2.gz BLHDZDDEVBPPAN-SFHLNBCPSA-N 1 0 457.412 4.830 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)c1 ZINC001463393071 1068382645 /nfs/dbraw/zinc/38/26/45/1068382645.db2.gz JFIIFKDSMZQQSL-UHFFFAOYSA-N 1 0 457.372 4.608 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NC(=O)c2nn(-c3c(C)cccc3F)c3c2CCC3)c1 ZINC001463395518 1068382960 /nfs/dbraw/zinc/38/29/60/1068382960.db2.gz OGYJNCFCZCUUCL-UHFFFAOYSA-N 1 0 450.558 4.781 20 0 JJADRO CC1(C)C[C@H](NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C(C)(C)O1 ZINC001463417959 1068391344 /nfs/dbraw/zinc/39/13/44/1068391344.db2.gz INFRIXAANCPBEX-ZRBLBEILSA-N 1 0 477.070 4.574 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3OC(F)(F)F)c3cnccc32)CC1 ZINC001463429316 1068394432 /nfs/dbraw/zinc/39/44/32/1068394432.db2.gz IWOYRYIGTGRVJC-RMKNXTFCSA-N 1 0 456.468 4.537 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)c(C(F)(F)F)cc3F)c3cnccc32)CC1 ZINC001463429313 1068394535 /nfs/dbraw/zinc/39/45/35/1068394535.db2.gz IVPPADNCQPNDKL-UHFFFAOYSA-N 1 0 450.411 4.536 20 0 JJADRO CC(C)(CNC(=O)CCc1cc(Br)c(Br)s1)[NH+]1CCCCC1 ZINC001463552463 1068438914 /nfs/dbraw/zinc/43/89/14/1068438914.db2.gz LTRZWXIMRHWFNV-UHFFFAOYSA-N 1 0 452.256 4.586 20 0 JJADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC001463562852 1068445024 /nfs/dbraw/zinc/44/50/24/1068445024.db2.gz HSFBQNDZNMTWPX-KRWDZBQOSA-N 1 0 456.412 4.631 20 0 JJADRO COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2Br)[NH+]2CCCC2)cc1 ZINC001463566057 1068447468 /nfs/dbraw/zinc/44/74/68/1068447468.db2.gz PRZXGQLUFBSEAB-FQEVSTJZSA-N 1 0 451.792 4.607 20 0 JJADRO COc1ccc([C@@H](CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)[NH+]2CCCC2)cc1 ZINC001463570146 1068450304 /nfs/dbraw/zinc/45/03/04/1068450304.db2.gz YYKIHFTWGGKCPD-JOCHJYFZSA-N 1 0 459.377 4.755 20 0 JJADRO COc1ccc([C@H](CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)[NH+]2CCCC2)cc1 ZINC001463570147 1068450361 /nfs/dbraw/zinc/45/03/61/1068450361.db2.gz YYKIHFTWGGKCPD-QFIPXVFZSA-N 1 0 459.377 4.755 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cs1 ZINC001463569913 1068450387 /nfs/dbraw/zinc/45/03/87/1068450387.db2.gz WWKVREUQPOVLPT-KRWDZBQOSA-N 1 0 450.649 4.647 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)[NH+]1CCCC1 ZINC001463575757 1068452497 /nfs/dbraw/zinc/45/24/97/1068452497.db2.gz ZHFQJBJBVVITJY-JOCHJYFZSA-N 1 0 452.986 4.718 20 0 JJADRO CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001463577292 1068453195 /nfs/dbraw/zinc/45/31/95/1068453195.db2.gz VNECGCJEVQDOPZ-SXLOBPIMSA-N 1 0 451.677 4.967 20 0 JJADRO CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001463577285 1068453232 /nfs/dbraw/zinc/45/32/32/1068453232.db2.gz VNECGCJEVQDOPZ-DFQSSKMNSA-N 1 0 451.677 4.967 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCC1 ZINC001463743396 1068510157 /nfs/dbraw/zinc/51/01/57/1068510157.db2.gz JGSZNHBWAPOFSA-UHFFFAOYSA-N 1 0 457.665 4.927 20 0 JJADRO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2C)[NH+](CC)CC)cc1 ZINC001463789810 1068524610 /nfs/dbraw/zinc/52/46/10/1068524610.db2.gz AWOCVPYOEMEBPF-FQEVSTJZSA-N 1 0 453.446 4.681 20 0 JJADRO CCc1ccc([C@H](CNS(=O)(=O)Cc2ccc(Br)cc2)[NH+](CC)CC)cc1 ZINC001463796098 1068527542 /nfs/dbraw/zinc/52/75/42/1068527542.db2.gz VRMRTNJKYVUPGJ-NRFANRHFSA-N 1 0 453.446 4.514 20 0 JJADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cc1 ZINC001463797230 1068528027 /nfs/dbraw/zinc/52/80/27/1068528027.db2.gz SKBDAEMGGXBSMQ-UHFFFAOYSA-N 1 0 455.961 4.901 20 0 JJADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001463812696 1068533855 /nfs/dbraw/zinc/53/38/55/1068533855.db2.gz QZWIWJBTSUFPQV-UHFFFAOYSA-N 1 0 454.368 4.938 20 0 JJADRO CCCc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC2=O)cc1 ZINC001463827039 1068538761 /nfs/dbraw/zinc/53/87/61/1068538761.db2.gz YUIRZNPQOUJGQA-RDPSFJRHSA-N 1 0 454.014 4.599 20 0 JJADRO O=C(c1cc(Br)c(C(F)(F)F)cc1F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001463827050 1068538827 /nfs/dbraw/zinc/53/88/27/1068538827.db2.gz ZADOITOGQLJSBL-UHFFFAOYSA-N 1 0 459.281 4.955 20 0 JJADRO CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463839957 1068543625 /nfs/dbraw/zinc/54/36/25/1068543625.db2.gz ZDIMRSGADMPBQX-YYWHXJBOSA-N 1 0 452.039 4.923 20 0 JJADRO O=S(=O)(Cc1cccc(Cl)c1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001463848974 1068547842 /nfs/dbraw/zinc/54/78/42/1068547842.db2.gz YGSYWVGMMSHWCM-BJKOFHAPSA-N 1 0 458.986 4.567 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCNC(=O)CSCc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001463869596 1068551236 /nfs/dbraw/zinc/55/12/36/1068551236.db2.gz AZYMILUBJREPDC-UHFFFAOYSA-N 1 0 453.696 4.854 20 0 JJADRO Cc1cccc(COc2cccc(C(=O)NCCC[NH+]3CCN(c4cccc(C)c4)CC3)c2)c1 ZINC001463876065 1068553374 /nfs/dbraw/zinc/55/33/74/1068553374.db2.gz GVUNNOSQQIZMSC-UHFFFAOYSA-N 1 0 457.618 4.825 20 0 JJADRO COc1ccc(C[N@@H+]2CCCN(C(=O)/C(=C\c3ccccc3OC)c3ccccc3)CC2)cc1 ZINC001463900306 1068559926 /nfs/dbraw/zinc/55/99/26/1068559926.db2.gz WENMZDOLFKZVBV-MEFGMAGPSA-N 1 0 456.586 4.979 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)nn(C)c1Sc1ccccc1)c1cccc(OC)c1 ZINC001463909982 1068562370 /nfs/dbraw/zinc/56/23/70/1068562370.db2.gz BWTDDUIPGWZJGF-JOCHJYFZSA-N 1 0 452.624 4.701 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(Br)c(C)c1)c1ccccc1Cl ZINC001463914290 1068564178 /nfs/dbraw/zinc/56/41/78/1068564178.db2.gz KPZDORLBILGEQO-HXUWFJFHSA-N 1 0 453.808 4.989 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C(F)=C/c2ccc(C(F)(F)F)cc2)cc1 ZINC001463982510 1068581340 /nfs/dbraw/zinc/58/13/40/1068581340.db2.gz RSOFHJZVLXZUJD-HKWRFOASSA-N 1 0 451.464 4.726 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@]34CCC[C@@H]3N(C(=O)OC(C)(C)C)CC4)cc2)CC1 ZINC001464019971 1068590954 /nfs/dbraw/zinc/59/09/54/1068590954.db2.gz QJUVOOBMVYLDGS-WNCULLNHSA-N 1 0 455.643 4.714 20 0 JJADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001464019327 1068591148 /nfs/dbraw/zinc/59/11/48/1068591148.db2.gz ZZBIBNZAIUERER-ACJLOTCBSA-N 1 0 473.795 4.547 20 0 JJADRO CC[NH+](CC)Cc1cccc(NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c1 ZINC001464042932 1068597922 /nfs/dbraw/zinc/59/79/22/1068597922.db2.gz DXEJAGYHQBGDQQ-OAQYLSRUSA-N 1 0 451.514 4.917 20 0 JJADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001464095642 1068613403 /nfs/dbraw/zinc/61/34/03/1068613403.db2.gz MXCNAWIZJXOAFU-KRWDZBQOSA-N 1 0 458.331 4.638 20 0 JJADRO CC[C@H](CNC(=O)c1ccc(Sc2ccccc2Cl)nn1)[N@@H+]1CCc2ccccc2C1 ZINC001464100046 1068615440 /nfs/dbraw/zinc/61/54/40/1068615440.db2.gz LYFAXPZQDJURON-LJQANCHMSA-N 1 0 453.011 4.848 20 0 JJADRO CC[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001464103360 1068616650 /nfs/dbraw/zinc/61/66/50/1068616650.db2.gz YIOOIWWBVOWOGW-BJKOFHAPSA-N 1 0 451.611 4.514 20 0 JJADRO O=C(CC1(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1)Nc1nccs1 ZINC001464108173 1068618063 /nfs/dbraw/zinc/61/80/63/1068618063.db2.gz WKRNRHRQZXCLGQ-NRFANRHFSA-N 1 0 454.640 4.593 20 0 JJADRO Cc1sc(Br)c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC001464117969 1068621245 /nfs/dbraw/zinc/62/12/45/1068621245.db2.gz BLPFFIAAMVNHDW-ZIAGYGMSSA-N 1 0 451.430 4.667 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC001464124239 1068623551 /nfs/dbraw/zinc/62/35/51/1068623551.db2.gz RQDPDRFBRAZYSC-UHFFFAOYSA-N 1 0 454.571 4.637 20 0 JJADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)CC1 ZINC001464139429 1068631137 /nfs/dbraw/zinc/63/11/37/1068631137.db2.gz KJORFIMLFLFHHA-UHFFFAOYSA-N 1 0 452.451 4.902 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccsc1 ZINC001464141957 1068632430 /nfs/dbraw/zinc/63/24/30/1068632430.db2.gz SFPSNACLHXNCLW-FQEVSTJZSA-N 1 0 450.048 4.877 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001464152635 1068635077 /nfs/dbraw/zinc/63/50/77/1068635077.db2.gz HUAIZHCIWGRRDL-IRXDYDNUSA-N 1 0 450.549 4.714 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)C1 ZINC001464154797 1068635639 /nfs/dbraw/zinc/63/56/39/1068635639.db2.gz QDCGYRRSWOLRJF-REWPJTCUSA-N 1 0 455.643 4.572 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3=Cc4cc(Br)ccc4OC3)cc2)C1 ZINC001464155470 1068635667 /nfs/dbraw/zinc/63/56/67/1068635667.db2.gz UBNGTPQGOYYAPB-QGZVFWFLSA-N 1 0 455.396 4.773 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC001464156579 1068636269 /nfs/dbraw/zinc/63/62/69/1068636269.db2.gz WUDOITMTGSRLSP-QFIPXVFZSA-N 1 0 455.602 4.632 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC001464157956 1068636795 /nfs/dbraw/zinc/63/67/95/1068636795.db2.gz NMVCVJDBBDLEDQ-INIZCTEOSA-N 1 0 453.384 4.554 20 0 JJADRO CC(C)(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1 ZINC001464166845 1068640932 /nfs/dbraw/zinc/64/09/32/1068640932.db2.gz ZSJMKQJKDIQIQD-LJQANCHMSA-N 1 0 451.355 4.958 20 0 JJADRO CCCCCNC(=O)C1CCN(C(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)CC1 ZINC001464179576 1068644840 /nfs/dbraw/zinc/64/48/40/1068644840.db2.gz BUPQXCYAUJXHLL-NRFANRHFSA-N 1 0 455.565 4.633 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC001464191883 1068650152 /nfs/dbraw/zinc/65/01/52/1068650152.db2.gz FOWCRXWUAZWUGC-MFEFFIJZSA-N 1 0 457.412 4.547 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)C1 ZINC001464193584 1068651504 /nfs/dbraw/zinc/65/15/04/1068651504.db2.gz LNYYGUZODWZQBU-KHCICDEESA-N 1 0 452.620 4.502 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001464197149 1068652187 /nfs/dbraw/zinc/65/21/87/1068652187.db2.gz AAENKUKBVPNLHY-QFIPXVFZSA-N 1 0 453.583 4.885 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C23CCC(CC2)N3C(=O)OC(C)(C)C)C1 ZINC001464199741 1068653492 /nfs/dbraw/zinc/65/34/92/1068653492.db2.gz CTWTUSNNTGYXCY-JMFKVGEDSA-N 1 0 455.643 4.713 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001464203675 1068655459 /nfs/dbraw/zinc/65/54/59/1068655459.db2.gz PMMXYKLQFOVQRV-SNUACVQDSA-N 1 0 457.659 4.864 20 0 JJADRO CC(C)[C@H](C(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)[NH+](C)C ZINC001464205849 1068656143 /nfs/dbraw/zinc/65/61/43/1068656143.db2.gz IPRFQMQESLNYFC-PZJWPPBQSA-N 1 0 454.467 4.857 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCN(CC3CC3)C(=O)OC(C)(C)C)cc2)C1 ZINC001464212074 1068659936 /nfs/dbraw/zinc/65/99/36/1068659936.db2.gz OTFSMBYSZKNAEZ-SFTDATJTSA-N 1 0 457.659 4.818 20 0 JJADRO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464234106 1068667609 /nfs/dbraw/zinc/66/76/09/1068667609.db2.gz IYUAHWWBLIEUNG-KBMIEXCESA-N 1 0 451.586 4.981 20 0 JJADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001464281085 1068689388 /nfs/dbraw/zinc/68/93/88/1068689388.db2.gz KWNGEBBKMDATRZ-LADGPHEKSA-N 1 0 458.021 4.687 20 0 JJADRO CC(C)COc1cccc(NC(=O)[C@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001464300918 1068697701 /nfs/dbraw/zinc/69/77/01/1068697701.db2.gz QORPQRIIEKCLFL-QHCPKHFHSA-N 1 0 455.599 4.685 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)c1ccc(F)cc1 ZINC001464344532 1068713878 /nfs/dbraw/zinc/71/38/78/1068713878.db2.gz YCWHPPQTZGXNDA-FQEVSTJZSA-N 1 0 458.331 4.808 20 0 JJADRO CO[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1ccc(Br)s1 ZINC001464395043 1068730264 /nfs/dbraw/zinc/73/02/64/1068730264.db2.gz AQQPKJVCNQPWCW-YLJYHZDGSA-N 1 0 451.430 4.788 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)CN(C(=O)c2ccccc2)c2ccccc2)c2ccccc2)CC1 ZINC001464401347 1068733564 /nfs/dbraw/zinc/73/35/64/1068733564.db2.gz OZFYVKXTOCJNBT-HHHXNRCGSA-N 1 0 455.602 4.923 20 0 JJADRO CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001464410234 1068736308 /nfs/dbraw/zinc/73/63/08/1068736308.db2.gz MVSSUFZNRZFZJA-QHCPKHFHSA-N 1 0 458.647 4.605 20 0 JJADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001464435086 1068744519 /nfs/dbraw/zinc/74/45/19/1068744519.db2.gz VOSSBFFBZMQUQB-VLVHOKLOSA-N 1 0 457.659 4.727 20 0 JJADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001464452646 1068751115 /nfs/dbraw/zinc/75/11/15/1068751115.db2.gz XTIDKYOVMPXORJ-ZWKOTPCHSA-N 1 0 459.516 4.532 20 0 JJADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001464452421 1068751282 /nfs/dbraw/zinc/75/12/82/1068751282.db2.gz ORKVNMWQLNCAOK-BWAGFHJFSA-N 1 0 478.077 4.917 20 0 JJADRO CC[C@H](C)n1c(SCC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccccc1 ZINC001464458297 1068753740 /nfs/dbraw/zinc/75/37/40/1068753740.db2.gz AYYBKZSUGAYBQM-UFYCRDLUSA-N 1 0 457.688 4.881 20 0 JJADRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC001464466259 1068756669 /nfs/dbraw/zinc/75/66/69/1068756669.db2.gz SZVUGFJFPOOURV-JBDIQEJZSA-N 1 0 454.014 4.502 20 0 JJADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001464472775 1068759511 /nfs/dbraw/zinc/75/95/11/1068759511.db2.gz OLUJNFLBVKUYSP-UYAOXDASSA-N 1 0 455.027 4.878 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1ccn(CCc2ccccc2)n1)c1ccc(C(F)(F)F)cc1 ZINC001464491526 1068765203 /nfs/dbraw/zinc/76/52/03/1068765203.db2.gz FOMHPKRWKZYWEQ-HSZRJFAPSA-N 1 0 458.528 4.958 20 0 JJADRO CC(C)(CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC001464493213 1068765717 /nfs/dbraw/zinc/76/57/17/1068765717.db2.gz CFNABVHGKCNLCR-UHFFFAOYSA-N 1 0 458.484 4.542 20 0 JJADRO COc1ccc(Br)cc1-c1ncc(C(=O)NCC[N@H+](C)C2CCCCC2)s1 ZINC001464502215 1068767585 /nfs/dbraw/zinc/76/75/85/1068767585.db2.gz PEGBVYOOGMDGKM-UHFFFAOYSA-N 1 0 452.418 4.576 20 0 JJADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001464517459 1068771164 /nfs/dbraw/zinc/77/11/64/1068771164.db2.gz GPVISFVIHVZUDO-UHFFFAOYSA-N 1 0 458.393 4.880 20 0 JJADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3c(C)onc3-c3cccc(Cl)c3)CC2)cc1 ZINC001464575733 1068788471 /nfs/dbraw/zinc/78/84/71/1068788471.db2.gz UOIIMLCSKZVJDV-UHFFFAOYSA-N 1 0 453.970 4.954 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)[NH+]2CCCC2)cc1 ZINC001464589210 1068792494 /nfs/dbraw/zinc/79/24/94/1068792494.db2.gz UTHBVJYSTXLXTL-JOCHJYFZSA-N 1 0 452.002 4.919 20 0 JJADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001464589247 1068792582 /nfs/dbraw/zinc/79/25/82/1068792582.db2.gz TXGNLLLGDWNPQQ-HNNXBMFYSA-N 1 0 453.421 4.857 20 0 JJADRO CC[NH+]1CCN(CCC(=O)NCc2ccc(Oc3ccc(Cl)cc3Cl)c(C)c2)CC1 ZINC001464599830 1068795234 /nfs/dbraw/zinc/79/52/34/1068795234.db2.gz SCTBWQPCLXOPRQ-UHFFFAOYSA-N 1 0 450.410 4.738 20 0 JJADRO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001464645294 1068809844 /nfs/dbraw/zinc/80/98/44/1068809844.db2.gz AKHOQBCCPMPWKT-XMMPIXPASA-N 1 0 455.643 4.509 20 0 JJADRO CC(C)(O)CN1CCN(C(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001464664209 1068816740 /nfs/dbraw/zinc/81/67/40/1068816740.db2.gz DVXAXIMPYSKUIX-FQEVSTJZSA-N 1 0 453.435 4.742 20 0 JJADRO FC(F)(F)[C@@H]1N(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CCC12CC[NH2+]CC2 ZINC001164388540 718814719 /nfs/dbraw/zinc/81/47/19/718814719.db2.gz PKJRCLGDEOMCRI-OAHLLOKOSA-N 1 0 455.258 4.992 20 0 JJADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCC5(CC[NH2+]CC5)[C@H]3C(F)(F)F)n2)CCC4)CC1 ZINC001164386953 718815435 /nfs/dbraw/zinc/81/54/35/718815435.db2.gz CENFSPQUCSZCGJ-QHCPKHFHSA-N 1 0 493.643 4.923 20 0 JJADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCC5(CC[NH2+]CC5)[C@@H]4C(F)(F)F)c32)C1 ZINC001164389352 718815453 /nfs/dbraw/zinc/81/54/53/718815453.db2.gz VJZKCAVCXCRVKI-QMHKHESXSA-N 1 0 493.643 4.923 20 0 JJADRO FC(F)(c1ccc(-c2nc(Cl)nc3sc4c(c32)CCC4)cc1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164389838 718825837 /nfs/dbraw/zinc/82/58/37/718825837.db2.gz JURNFECOIQUCQT-SJORKVTESA-N 1 0 476.980 4.612 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164614898 719008318 /nfs/dbraw/zinc/00/83/18/719008318.db2.gz GVIKVTWNICXJOZ-VGOFRKELSA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164615604 719009487 /nfs/dbraw/zinc/00/94/87/719009487.db2.gz JDWKAGHPJXKLCE-OPAMFIHVSA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164620641 719010405 /nfs/dbraw/zinc/01/04/05/719010405.db2.gz ZDFAPYVVOFSTRA-XMSQKQJNSA-N 1 0 497.011 4.553 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC2)CC1 ZINC001164614617 719025483 /nfs/dbraw/zinc/02/54/83/719025483.db2.gz VJSQEVARQVMDNB-UHFFFAOYSA-N 1 0 451.945 4.677 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccccc4F)nc4ccc(C)cc43)CC2)CC1 ZINC001164618409 719028507 /nfs/dbraw/zinc/02/85/07/719028507.db2.gz WMAAUMNPXMJXAD-UHFFFAOYSA-N 1 0 476.596 4.988 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cccc4c(Cl)nccc43)CC2)CC1 ZINC001164616419 719030025 /nfs/dbraw/zinc/03/00/25/719030025.db2.gz DNRFXXSQCZFPAR-UHFFFAOYSA-N 1 0 451.945 4.677 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccc(C)s4)nc4ccccc43)CC2)CC1 ZINC001164617123 719032899 /nfs/dbraw/zinc/03/28/99/719032899.db2.gz HBTMYJZBPSFIKJ-UHFFFAOYSA-N 1 0 464.635 4.911 20 0 JJADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164628701 719043342 /nfs/dbraw/zinc/04/33/42/719043342.db2.gz ZDTWLGXKLNZRQA-BWKNWUBXSA-N 1 0 498.961 4.615 20 0 JJADRO COc1ccccc1-c1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)nn1 ZINC001164628686 719049472 /nfs/dbraw/zinc/04/94/72/719049472.db2.gz YRPPBCHDNBJYLX-HYBUGGRVSA-N 1 0 470.951 4.934 20 0 JJADRO COc1ccc(-c2csc3nc(-c4cccnc4)nc(N4C[C@H](C)[N@H+](C)C[C@@H]4C)c23)cc1OC ZINC001164635976 719237244 /nfs/dbraw/zinc/23/72/44/719237244.db2.gz RODRCUTWVCKEGG-IRXDYDNUSA-N 1 0 475.618 4.966 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164647081 719291293 /nfs/dbraw/zinc/29/12/93/719291293.db2.gz QTMIPWZVKSHLDZ-BEVDRBHNSA-N 1 0 478.996 4.957 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)nc1 ZINC001164654287 719323400 /nfs/dbraw/zinc/32/34/00/719323400.db2.gz JVPRHVUEZHCRNW-SANMLTNESA-N 1 0 472.637 4.772 20 0 JJADRO Fc1ccc(CN2CCOCC23CCN(c2[nH+]c(N4CCCC4)cc4ccccc42)CC3)cc1 ZINC001164674017 719526615 /nfs/dbraw/zinc/52/66/15/719526615.db2.gz YWCAOXUGSQJWOF-UHFFFAOYSA-N 1 0 460.597 4.846 20 0 JJADRO Cc1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164680144 719644550 /nfs/dbraw/zinc/64/45/50/719644550.db2.gz PWIJMJTYZWLZST-UHFFFAOYSA-N 1 0 452.606 4.791 20 0 JJADRO Cc1cc(C(F)(F)N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc(Cl)n1 ZINC001164680372 719657792 /nfs/dbraw/zinc/65/77/92/719657792.db2.gz GBIUINFGVMGGDN-IBGZPJMESA-N 1 0 491.026 4.682 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4ccc(Cl)cc43)CC2)c2ccccc21 ZINC001164680762 719665130 /nfs/dbraw/zinc/66/51/30/719665130.db2.gz IRLKFYLXSABXDF-OAQYLSRUSA-N 1 0 477.052 4.982 20 0 JJADRO CSc1cc(Cl)ncc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685665 719666200 /nfs/dbraw/zinc/66/62/00/719666200.db2.gz VQFVBJJFFICXTB-SFHVURJKSA-N 1 0 473.086 4.550 20 0 JJADRO Cc1ccc2ccnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164681587 719667650 /nfs/dbraw/zinc/66/76/50/719667650.db2.gz NDDFDLGDOKYFKV-QHCPKHFHSA-N 1 0 456.634 4.637 20 0 JJADRO Cc1nc2cc(Cl)ccc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164682854 719668821 /nfs/dbraw/zinc/66/88/21/719668821.db2.gz PYQHXJLRULTEOT-FQEVSTJZSA-N 1 0 492.067 4.685 20 0 JJADRO Cc1cccc2c1ccnc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684205 719669086 /nfs/dbraw/zinc/66/90/86/719669086.db2.gz SNNNHAICDNPLJO-JOCHJYFZSA-N 1 0 456.634 4.637 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4ccc(Cl)cc4n3)CC2)c2ccccc21 ZINC001164681872 719673420 /nfs/dbraw/zinc/67/34/20/719673420.db2.gz NVINDPKBJGTBLQ-OAQYLSRUSA-N 1 0 477.052 4.982 20 0 JJADRO Cc1c[nH]c2nc(Cl)cc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164684692 719676710 /nfs/dbraw/zinc/67/67/10/719676710.db2.gz VDWRKVBPSRGQNY-LJQANCHMSA-N 1 0 480.056 4.618 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3c(F)ccc4c(Cl)ncnc43)CC2)c2ccccc21 ZINC001164684543 719682684 /nfs/dbraw/zinc/68/26/84/719682684.db2.gz JGEFEMYBMGVLDF-GOSISDBHSA-N 1 0 496.030 4.516 20 0 JJADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)CC2 ZINC001164691069 719757781 /nfs/dbraw/zinc/75/77/81/719757781.db2.gz KVAMLIFCTIKKAB-UHFFFAOYSA-N 1 0 483.390 4.781 20 0 JJADRO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2c1C ZINC001164693463 719813067 /nfs/dbraw/zinc/81/30/67/719813067.db2.gz VEGDVOFSNKLLDX-UHFFFAOYSA-N 1 0 485.679 4.885 20 0 JJADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698351 719894521 /nfs/dbraw/zinc/89/45/21/719894521.db2.gz RVBGSUJHTQMFQF-UHFFFAOYSA-N 1 0 464.031 4.623 20 0 JJADRO Cc1nc2sc3c(c2c(N2CCC4(CC2)C[N@H+](Cc2cccs2)CCO4)n1)CCCC3 ZINC001164699041 719897661 /nfs/dbraw/zinc/89/76/61/719897661.db2.gz WASZMANIUGSMQK-UHFFFAOYSA-N 1 0 454.665 4.811 20 0 JJADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707560 719898849 /nfs/dbraw/zinc/89/88/49/719898849.db2.gz UATPCMPBEZQSCD-UHFFFAOYSA-N 1 0 480.968 4.868 20 0 JJADRO COc1ccc2nc(C(F)(F)N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc(Cl)c2c1 ZINC001164705415 719899171 /nfs/dbraw/zinc/89/91/71/719899171.db2.gz BMYVQWYGADHMDA-UHFFFAOYSA-N 1 0 494.995 4.770 20 0 JJADRO Fc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164706278 719906808 /nfs/dbraw/zinc/90/68/08/719906808.db2.gz GXFBJXJMLRAADG-UHFFFAOYSA-N 1 0 474.989 4.994 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164809301 720088922 /nfs/dbraw/zinc/08/89/22/720088922.db2.gz JHRVBOTZZHOIIN-BTYIYWSLSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164806390 720093623 /nfs/dbraw/zinc/09/36/23/720093623.db2.gz BXGRBSNUPCQDRA-QKKBWIMNSA-N 1 0 455.817 4.775 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164712643 720096304 /nfs/dbraw/zinc/09/63/04/720096304.db2.gz XMDSMGYBUCXBPW-SFHVURJKSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164709653 720098413 /nfs/dbraw/zinc/09/84/13/720098413.db2.gz BVPFMCHGDNEXMD-SFHVURJKSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164710009 720099813 /nfs/dbraw/zinc/09/98/13/720099813.db2.gz FFQVEKXWDYJWKX-QGZVFWFLSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164712001 720100272 /nfs/dbraw/zinc/10/02/72/720100272.db2.gz TWGNRXHQYCNIHI-QHCPKHFHSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccc(F)cc31)CC2 ZINC001164718573 720107489 /nfs/dbraw/zinc/10/74/89/720107489.db2.gz SLVNKXNAIPCLAN-HXUWFJFHSA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccc(F)cc31)CC2 ZINC001164718572 720107819 /nfs/dbraw/zinc/10/78/19/720107819.db2.gz SLVNKXNAIPCLAN-FQEVSTJZSA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164715512 720114357 /nfs/dbraw/zinc/11/43/57/720114357.db2.gz GSWVRYLFMSUESZ-GOSISDBHSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3sc(C)c(C)c31)CC2 ZINC001164714840 720116256 /nfs/dbraw/zinc/11/62/56/720116256.db2.gz CJDICEHANSEIKX-OAQYLSRUSA-N 1 0 451.640 4.519 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164714261 720116302 /nfs/dbraw/zinc/11/63/02/720116302.db2.gz BGGIEWRSWRCXKM-JOCHJYFZSA-N 1 0 468.605 4.527 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164718027 720116509 /nfs/dbraw/zinc/11/65/09/720116509.db2.gz QNBLHNPKBHUCSA-SFHVURJKSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164718063 720118908 /nfs/dbraw/zinc/11/89/08/720118908.db2.gz RHNIKHRVHOWXKB-QFIPXVFZSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164816143 720123233 /nfs/dbraw/zinc/12/32/33/720123233.db2.gz XSOALVWGGURBCS-IIBYNOLFSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164809717 720126588 /nfs/dbraw/zinc/12/65/88/720126588.db2.gz IMTXQHHBRXLCIC-HRAATJIYSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164715107 720154644 /nfs/dbraw/zinc/15/46/44/720154644.db2.gz SSCYUGDLVXTLCX-OAQYLSRUSA-N 1 0 480.012 4.825 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164816049 720160544 /nfs/dbraw/zinc/16/05/44/720160544.db2.gz JZIWFJZVXMHPOO-FZKQIMNGSA-N 1 0 454.776 4.771 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164816053 720161165 /nfs/dbraw/zinc/16/11/65/720161165.db2.gz JZIWFJZVXMHPOO-UGSOOPFHSA-N 1 0 454.776 4.771 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)C2 ZINC001164814256 720163188 /nfs/dbraw/zinc/16/31/88/720163188.db2.gz FIEBEFHKHPIDII-CLOONOSVSA-N 1 0 452.599 4.682 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(OC)cc4)c31)C2 ZINC001164812991 720165738 /nfs/dbraw/zinc/16/57/38/720165738.db2.gz BHMLOHPFCXRDAA-IBVKSMDESA-N 1 0 464.635 4.552 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)C2 ZINC001164816260 720167062 /nfs/dbraw/zinc/16/70/62/720167062.db2.gz KNCBNBNKCBZRLE-NFQMXDRXSA-N 1 0 464.560 4.760 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)C2 ZINC001164814309 720182289 /nfs/dbraw/zinc/18/22/89/720182289.db2.gz FPSZJQJCOWBPOU-WNJJXGMVSA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)C2 ZINC001164814307 720182657 /nfs/dbraw/zinc/18/26/57/720182657.db2.gz FPSZJQJCOWBPOU-UHSQPCAPSA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164814414 720186681 /nfs/dbraw/zinc/18/66/81/720186681.db2.gz GFRMWBOOCGQMDV-NFBKMPQASA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)C2 ZINC001164813660 720193937 /nfs/dbraw/zinc/19/39/37/720193937.db2.gz DDRXPYMBELTDDR-HXOBKFHXSA-N 1 0 465.400 4.774 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(OC)cc3)nnc1Cl)C2 ZINC001164811516 720203538 /nfs/dbraw/zinc/20/35/38/720203538.db2.gz JDHPOGCOKPGQQY-NTKDMRAZSA-N 1 0 492.998 4.535 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3cc(OCc4ccccc4)ccc3n1)CCC2 ZINC001164812754 720226715 /nfs/dbraw/zinc/22/67/15/720226715.db2.gz IUAWSTWBGMSAOO-UHFFFAOYSA-N 1 0 483.616 4.621 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccccc3)c3ccccc3n1)CCC2 ZINC001164812161 720234401 /nfs/dbraw/zinc/23/44/01/720234401.db2.gz CCPACNRFDCEKGD-UHFFFAOYSA-N 1 0 453.590 4.709 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(C4CCCCC4)cc3)nn1)CCC2 ZINC001164818556 720242080 /nfs/dbraw/zinc/24/20/80/720242080.db2.gz ZJVKTRJMQPMGIL-UHFFFAOYSA-N 1 0 486.664 4.999 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164815773 720259408 /nfs/dbraw/zinc/25/94/08/720259408.db2.gz FBPJJJBTHDTFSN-DNVJHFABSA-N 1 0 453.656 4.553 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 ZINC001164820564 720307458 /nfs/dbraw/zinc/30/74/58/720307458.db2.gz HMZWHHFEZQIBAQ-NSOVKSMOSA-N 1 0 481.644 4.722 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CCC(=O)N5CC4CC[NH+](C)CC4)c23)cc1 ZINC001164823096 720313019 /nfs/dbraw/zinc/31/30/19/720313019.db2.gz OFTSTQUYFBXPDH-XZOQPEGZSA-N 1 0 475.662 4.578 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC1 ZINC001164828287 720313307 /nfs/dbraw/zinc/31/33/07/720313307.db2.gz ZWAWQKNVHWUJGT-RTWAWAEBSA-N 1 0 497.417 4.998 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001164834351 720330469 /nfs/dbraw/zinc/33/04/69/720330469.db2.gz ZMYRGJYSCLEQAA-NHCUHLMSSA-N 1 0 496.080 4.923 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164826760 720339311 /nfs/dbraw/zinc/33/93/11/720339311.db2.gz KZKHTJDJIUVUIR-VQTJNVASSA-N 1 0 495.718 4.948 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)CC1 ZINC001164830595 720348818 /nfs/dbraw/zinc/34/88/18/720348818.db2.gz WCNKZKAEFWYNDD-IZLXSDGUSA-N 1 0 497.643 4.847 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001164823516 720355743 /nfs/dbraw/zinc/35/57/43/720355743.db2.gz GNVQCHWNQSSWLI-WOJBJXKFSA-N 1 0 495.039 4.920 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](OCc3csc(C)n3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164824428 720392646 /nfs/dbraw/zinc/39/26/46/720392646.db2.gz RPCHXRWWYLDCRS-KNAFXUBQSA-N 1 0 456.656 4.737 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc32)C1 ZINC001164731344 720518113 /nfs/dbraw/zinc/51/81/13/720518113.db2.gz WOBOLXPWDPCWSN-MRXNPFEDSA-N 1 0 467.404 4.998 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4scc(-c5cccs5)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833292 720522996 /nfs/dbraw/zinc/52/29/96/720522996.db2.gz CYENEJKMEKMPIS-CMKODMSKSA-N 1 0 464.664 4.994 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)C1 ZINC001164733226 720534838 /nfs/dbraw/zinc/53/48/38/720534838.db2.gz CJVNVWPBSYYYKD-KRWDZBQOSA-N 1 0 482.966 4.890 20 0 JJADRO CC(C)c1ccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c(Cl)nn2)cc1 ZINC001164735559 720535733 /nfs/dbraw/zinc/53/57/33/720535733.db2.gz PNGKIVPZDWQSMS-KRWDZBQOSA-N 1 0 474.987 4.860 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838443 720537880 /nfs/dbraw/zinc/53/78/80/720537880.db2.gz NWAGFLIOJBYTLR-UODIDJSMSA-N 1 0 479.632 4.780 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164733673 720545580 /nfs/dbraw/zinc/54/55/80/720545580.db2.gz FAQRQIDAAPBIJK-AWEZNQCLSA-N 1 0 459.368 4.998 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164735865 720545690 /nfs/dbraw/zinc/54/56/90/720545690.db2.gz SODAMXIWWVHRFK-KRWDZBQOSA-N 1 0 450.961 4.858 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164736419 720546152 /nfs/dbraw/zinc/54/61/52/720546152.db2.gz YAPQPKCREBDRQQ-KRWDZBQOSA-N 1 0 450.961 4.858 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164736420 720546791 /nfs/dbraw/zinc/54/67/91/720546791.db2.gz YAPQPKCREBDRQQ-QGZVFWFLSA-N 1 0 450.961 4.858 20 0 JJADRO COc1ccccc1-c1cc(C(F)(F)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c(Cl)nn1 ZINC001164732646 720548954 /nfs/dbraw/zinc/54/89/54/720548954.db2.gz BLVJQIONGWTWKD-MRXNPFEDSA-N 1 0 480.987 4.867 20 0 JJADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728815 720574613 /nfs/dbraw/zinc/57/46/13/720574613.db2.gz MLVSCPKYZNEKFY-UHFFFAOYSA-N 1 0 498.002 4.573 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]21 ZINC001164835164 720623016 /nfs/dbraw/zinc/62/30/16/720623016.db2.gz AFIDTIZHCIXJQH-NWSQWKLXSA-N 1 0 486.998 4.916 20 0 JJADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)c1 ZINC001164836587 720623199 /nfs/dbraw/zinc/62/31/99/720623199.db2.gz FUSROWKLSCJDJQ-VMODYCNZSA-N 1 0 482.632 4.880 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@@H]21 ZINC001164843155 720633043 /nfs/dbraw/zinc/63/30/43/720633043.db2.gz WYQXNKORCIDRML-ZOBUZTSGSA-N 1 0 477.909 4.873 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccccc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839253 720641118 /nfs/dbraw/zinc/64/11/18/720641118.db2.gz MWGXDSXJKYLXOD-WSTZPKSXSA-N 1 0 470.980 4.636 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164841070 720662132 /nfs/dbraw/zinc/66/21/32/720662132.db2.gz PCMSYQUSTDRRBQ-MRXNPFEDSA-N 1 0 457.352 4.588 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164839744 720674173 /nfs/dbraw/zinc/67/41/73/720674173.db2.gz KBZFZAAYLLLZJM-HNNXBMFYSA-N 1 0 493.826 4.640 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164843829 720689566 /nfs/dbraw/zinc/68/95/66/720689566.db2.gz REVOBBWNIZGBII-QFIPXVFZSA-N 1 0 453.590 4.885 20 0 JJADRO COc1cccc2nc(Cl)nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164841048 720694826 /nfs/dbraw/zinc/69/48/26/720694826.db2.gz HFVHITMILWGLGF-LJQANCHMSA-N 1 0 452.986 4.552 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164839817 720695869 /nfs/dbraw/zinc/69/58/69/720695869.db2.gz BYQJRZVEWXZBNT-RUZDIDTESA-N 1 0 485.607 4.879 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164841810 720698446 /nfs/dbraw/zinc/69/84/46/720698446.db2.gz JCNNVNFJGOROKR-FQEVSTJZSA-N 1 0 472.029 4.950 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164836450 720705614 /nfs/dbraw/zinc/70/56/14/720705614.db2.gz ASDGTJPKNAWEFO-XMMPIXPASA-N 1 0 463.025 4.981 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164842872 720717437 /nfs/dbraw/zinc/71/74/37/720717437.db2.gz ZPFNAKNAFYVRDR-SANMLTNESA-N 1 0 471.601 4.699 20 0 JJADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838092 720736220 /nfs/dbraw/zinc/73/62/20/720736220.db2.gz RMOFVZJQYTZOEN-UHFFFAOYSA-N 1 0 458.944 4.591 20 0 JJADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164845181 720740020 /nfs/dbraw/zinc/74/00/20/720740020.db2.gz WUJZZJVEMZCDCF-UHFFFAOYSA-N 1 0 464.973 4.652 20 0 JJADRO Fc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c(Cl)nn2)cc1 ZINC001164844734 720741964 /nfs/dbraw/zinc/74/19/64/720741964.db2.gz SSOWBNOEOOWDNU-UHFFFAOYSA-N 1 0 476.934 4.730 20 0 JJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842971 720742324 /nfs/dbraw/zinc/74/23/24/720742324.db2.gz GSMAYGLSNXHYEO-UHFFFAOYSA-N 1 0 499.780 4.944 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844971 720743226 /nfs/dbraw/zinc/74/32/26/720743226.db2.gz WJWWXYAHKJMYEX-UHFFFAOYSA-N 1 0 499.009 4.906 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)nc1 ZINC001164844349 720779551 /nfs/dbraw/zinc/77/95/51/720779551.db2.gz BMTJOBIMMMYBMY-QYOOZWMWSA-N 1 0 450.627 4.757 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1C ZINC001164747930 720847201 /nfs/dbraw/zinc/84/72/01/720847201.db2.gz RZIVOSKMZUQGLT-INNMJMHTSA-N 1 0 493.659 4.885 20 0 JJADRO Cc1sc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1-c1ccccc1 ZINC001164745167 720847711 /nfs/dbraw/zinc/84/77/11/720847711.db2.gz MEBDCWNVGAOVNK-RJGXRXQPSA-N 1 0 485.661 4.638 20 0 JJADRO Cc1sc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1-c1ccccc1 ZINC001164745168 720847899 /nfs/dbraw/zinc/84/78/99/720847899.db2.gz MEBDCWNVGAOVNK-XPWALMASSA-N 1 0 485.661 4.638 20 0 JJADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754433 720882609 /nfs/dbraw/zinc/88/26/09/720882609.db2.gz IWBTZJRZVZZSHZ-CUNXSJBXSA-N 1 0 478.040 4.742 20 0 JJADRO Fc1cccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164758828 720883236 /nfs/dbraw/zinc/88/32/36/720883236.db2.gz ZRHMTUJLRJBWNF-RXFWQSSRSA-N 1 0 482.003 4.572 20 0 JJADRO CSc1nc2ccsc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758148 720886093 /nfs/dbraw/zinc/88/60/93/720886093.db2.gz XDMYLYJVHCEAPU-CPJSRVTESA-N 1 0 481.691 4.563 20 0 JJADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756050 720889005 /nfs/dbraw/zinc/88/90/05/720889005.db2.gz OHBVJNUNSFAEQJ-AUSIDOKSSA-N 1 0 480.962 4.569 20 0 JJADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753289 720891016 /nfs/dbraw/zinc/89/10/16/720891016.db2.gz GKAZGIYECRRPJG-AJTFRIOCSA-N 1 0 478.040 4.742 20 0 JJADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753300 720891093 /nfs/dbraw/zinc/89/10/93/720891093.db2.gz GKAZGIYECRRPJG-WXVAWEFUSA-N 1 0 478.040 4.742 20 0 JJADRO c1cn(C2CCCC2)c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164757445 720893089 /nfs/dbraw/zinc/89/30/89/720893089.db2.gz USUYSICRRVVRTL-OUTSHDOLSA-N 1 0 486.664 4.697 20 0 JJADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753448 720897344 /nfs/dbraw/zinc/89/73/44/720897344.db2.gz GVSHKLPTBIRZNV-IADCTJSHSA-N 1 0 483.616 4.835 20 0 JJADRO Cc1nc2c3ccccc3oc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753452 720897479 /nfs/dbraw/zinc/89/74/79/720897479.db2.gz GVSHKLPTBIRZNV-RNWIMVQKSA-N 1 0 483.616 4.835 20 0 JJADRO Cc1cccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755635 720899291 /nfs/dbraw/zinc/89/92/91/720899291.db2.gz MHDJPBIWBUYEJJ-AJTFRIOCSA-N 1 0 478.040 4.742 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164859725 720902476 /nfs/dbraw/zinc/90/24/76/720902476.db2.gz PPOPLMDGHLXETL-SKVJQKLOSA-N 1 0 462.638 4.577 20 0 JJADRO Cc1c(Cl)cnc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749484 720903075 /nfs/dbraw/zinc/90/30/75/720903075.db2.gz AFOYLAGHJSNUHA-GBXCKJPGSA-N 1 0 461.437 4.847 20 0 JJADRO Fc1cc2ncnc(Cl)c2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164757132 720903532 /nfs/dbraw/zinc/90/35/32/720903532.db2.gz SUTSWZFAQRKNCX-FQRUVTKNSA-N 1 0 482.003 4.572 20 0 JJADRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)cc1Cl ZINC001164756250 720903767 /nfs/dbraw/zinc/90/37/67/720903767.db2.gz OTISDQBXQCRAOO-YKSBVNFPSA-N 1 0 461.437 4.847 20 0 JJADRO CSc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754239 720905070 /nfs/dbraw/zinc/90/50/70/720905070.db2.gz VBCSCGVSQSSGGY-YKSBVNFPSA-N 1 0 459.059 4.607 20 0 JJADRO c1ccc(COc2cccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1 ZINC001164752916 720908170 /nfs/dbraw/zinc/90/81/70/720908170.db2.gz PKCYUOLOBQFUOT-BHBYDHKZSA-N 1 0 484.644 4.811 20 0 JJADRO Fc1ccc2nc(C(F)F)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164752972 720929796 /nfs/dbraw/zinc/92/97/96/720929796.db2.gz PRDSACQKEBIZMO-HRFSGMKKSA-N 1 0 497.565 4.857 20 0 JJADRO Fc1ccc2nc(C(F)F)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164752961 720929894 /nfs/dbraw/zinc/92/98/94/720929894.db2.gz PRDSACQKEBIZMO-CCLHPLFOSA-N 1 0 497.565 4.857 20 0 JJADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863243 720936201 /nfs/dbraw/zinc/93/62/01/720936201.db2.gz ZBEQYGOQCBMDIT-FQEVSTJZSA-N 1 0 486.620 4.835 20 0 JJADRO Fc1ccc2c(Cl)ncnc2c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754191 720937904 /nfs/dbraw/zinc/93/79/04/720937904.db2.gz UGHQHWDBGFJGDX-FNZWTVRRSA-N 1 0 482.003 4.572 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)[C@H]2C ZINC001164859208 720943652 /nfs/dbraw/zinc/94/36/52/720943652.db2.gz LFHFOOOPTMTHLB-INIZCTEOSA-N 1 0 460.960 4.960 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)[C@H]2C ZINC001164859686 721004192 /nfs/dbraw/zinc/00/41/92/721004192.db2.gz LJIMCQMRXYZQLI-IBGZPJMESA-N 1 0 493.725 4.784 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3cc(OCc4ccccc4)ccc31)[C@@H]2C ZINC001164864827 721019344 /nfs/dbraw/zinc/01/93/44/721019344.db2.gz ZUQMQHPVUJDHJF-HXUWFJFHSA-N 1 0 456.594 4.827 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164759842 721031657 /nfs/dbraw/zinc/03/16/57/721031657.db2.gz AEKAXTFDPCABKP-RGSZASNESA-N 1 0 450.627 4.758 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164759847 721032133 /nfs/dbraw/zinc/03/21/33/721032133.db2.gz AEKAXTFDPCABKP-ZWEKWIFMSA-N 1 0 450.627 4.758 20 0 JJADRO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866829 721066027 /nfs/dbraw/zinc/06/60/27/721066027.db2.gz FZWTXJYIIGOZDG-XZOQPEGZSA-N 1 0 470.951 4.822 20 0 JJADRO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867386 721067451 /nfs/dbraw/zinc/06/74/51/721067451.db2.gz IRIAXSLYVUMIRG-GOTSBHOMSA-N 1 0 489.982 4.964 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164867693 721076168 /nfs/dbraw/zinc/07/61/68/721076168.db2.gz ZOGVEIPVXPDEIL-YADHBBJMSA-N 1 0 457.603 4.541 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164763656 721101196 /nfs/dbraw/zinc/10/11/96/721101196.db2.gz GMPIXMRIOLKMNO-LOSJGSFVSA-N 1 0 450.590 4.502 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164763658 721101690 /nfs/dbraw/zinc/10/16/90/721101690.db2.gz GMPIXMRIOLKMNO-RPBOFIJWSA-N 1 0 450.590 4.502 20 0 JJADRO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164864275 721104819 /nfs/dbraw/zinc/10/48/19/721104819.db2.gz FFSMXNJUXLCNIF-XZOQPEGZSA-N 1 0 471.992 4.825 20 0 JJADRO c1ccc(COc2ccc3nc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)ccc3c2)cc1 ZINC001164864402 721105889 /nfs/dbraw/zinc/10/58/89/721105889.db2.gz FTTSIZMKHLEGLJ-AHKZPQOWSA-N 1 0 466.585 4.689 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164773811 721128213 /nfs/dbraw/zinc/12/82/13/721128213.db2.gz ZCZNQRYGQWINOS-NHCUHLMSSA-N 1 0 458.997 4.642 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@@H]3C2)cn1 ZINC001164769070 721153552 /nfs/dbraw/zinc/15/35/52/721153552.db2.gz PHYMBTHHVFFANH-DQEYMECFSA-N 1 0 453.590 4.506 20 0 JJADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164762140 721153666 /nfs/dbraw/zinc/15/36/66/721153666.db2.gz CCATUTNQZIATPZ-SFTDATJTSA-N 1 0 489.023 4.651 20 0 JJADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164762133 721154723 /nfs/dbraw/zinc/15/47/23/721154723.db2.gz CCATUTNQZIATPZ-NHCUHLMSSA-N 1 0 489.023 4.651 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164773659 721156271 /nfs/dbraw/zinc/15/62/71/721156271.db2.gz YNYYZERBUJXQOM-LEWJYISDSA-N 1 0 458.997 4.642 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164873620 721161359 /nfs/dbraw/zinc/16/13/59/721161359.db2.gz JHKRMRLWRATGSI-GOTSBHOMSA-N 1 0 469.614 4.747 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@@H]3C2)cn1 ZINC001164774415 721178045 /nfs/dbraw/zinc/17/80/45/721178045.db2.gz YZXVLQWLHGPQFB-PKTZIBPZSA-N 1 0 494.039 4.529 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@H]3C2)cn1 ZINC001164766988 721195748 /nfs/dbraw/zinc/19/57/48/721195748.db2.gz JVAORFUKCNFCHA-RTBURBONSA-N 1 0 465.026 4.704 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@H]3C2)cn1 ZINC001164767796 721199324 /nfs/dbraw/zinc/19/93/24/721199324.db2.gz KPFDTKMKWUOGAI-RBUKOAKNSA-N 1 0 465.026 4.704 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164771886 721201075 /nfs/dbraw/zinc/20/10/75/721201075.db2.gz RSQSIRVZFCBVQH-MSOLQXFVSA-N 1 0 476.675 4.600 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164761324 721216853 /nfs/dbraw/zinc/21/68/53/721216853.db2.gz AMAYJGBDJOTCEO-FTJBHMTQSA-N 1 0 450.590 4.502 20 0 JJADRO Cc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769486 721221956 /nfs/dbraw/zinc/22/19/56/721221956.db2.gz MNOZWMXFDNPGPP-SXOMAYOGSA-N 1 0 464.617 4.811 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164762586 721227621 /nfs/dbraw/zinc/22/76/21/721227621.db2.gz LFIBMMZJXMRNFL-ZEQRLZLVSA-N 1 0 466.589 4.628 20 0 JJADRO Cc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164775908 721329415 /nfs/dbraw/zinc/32/94/15/721329415.db2.gz AOHIUXWAIPNAEK-LXFBAYGMSA-N 1 0 490.051 4.656 20 0 JJADRO Cc1sc2nc(CN3CCCC3)nc(N(c3cccc(C)c3)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164778394 721329549 /nfs/dbraw/zinc/32/95/49/721329549.db2.gz VCANJSAUQOSDBE-CUNXSJBXSA-N 1 0 477.678 4.871 20 0 JJADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@]5(CCC[C@@H]5COCc5ccncc5)C4)ccc3C2)cc1 ZINC001164780358 721383751 /nfs/dbraw/zinc/38/37/51/721383751.db2.gz GKNHROBAIZHETE-POURPWNDSA-N 1 0 484.644 4.627 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)nc1 ZINC001164783172 721386810 /nfs/dbraw/zinc/38/68/10/721386810.db2.gz NVEHIBIMWUZSPI-RGSZASNESA-N 1 0 450.627 4.616 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887245 721419872 /nfs/dbraw/zinc/41/98/72/721419872.db2.gz LPYPIHVUCSJMCO-QDPGVEIFSA-N 1 0 492.067 4.716 20 0 JJADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898767 721442869 /nfs/dbraw/zinc/44/28/69/721442869.db2.gz WYGPKPUVXONFHF-GRKNLSHJSA-N 1 0 497.687 4.884 20 0 JJADRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898769 721443025 /nfs/dbraw/zinc/44/30/25/721443025.db2.gz WYGPKPUVXONFHF-IZEXYCQBSA-N 1 0 497.687 4.884 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164786019 721452236 /nfs/dbraw/zinc/45/22/36/721452236.db2.gz MFRVZMYHTFPASX-KRWDZBQOSA-N 1 0 478.411 4.667 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164788674 721454780 /nfs/dbraw/zinc/45/47/80/721454780.db2.gz SKNOOXXWSCBTCB-HSZRJFAPSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164788676 721454806 /nfs/dbraw/zinc/45/48/06/721454806.db2.gz SKNOOXXWSCBTCB-QHCPKHFHSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(OC)ccc31)CC2 ZINC001164783715 721463100 /nfs/dbraw/zinc/46/31/00/721463100.db2.gz GABRPCJAJKZGJL-NRFANRHFSA-N 1 0 474.045 4.631 20 0 JJADRO COc1cc2nc(Cl)c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2cc1OC ZINC001164791546 721496163 /nfs/dbraw/zinc/49/61/63/721496163.db2.gz DFOOJJLGPUXLIA-UHFFFAOYSA-N 1 0 468.001 4.576 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164796212 721507798 /nfs/dbraw/zinc/50/77/98/721507798.db2.gz PTZSAWRATQXUDG-FDDCHVKYSA-N 1 0 460.956 4.737 20 0 JJADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CC[N@@H+]3C2)c1 ZINC001164905953 721561734 /nfs/dbraw/zinc/56/17/34/721561734.db2.gz IEDRGGGXDDDLAN-TZIWHRDSSA-N 1 0 474.914 4.823 20 0 JJADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CC[N@@H+]3C2)c1 ZINC001164905951 721561922 /nfs/dbraw/zinc/56/19/22/721561922.db2.gz IEDRGGGXDDDLAN-PZJWPPBQSA-N 1 0 474.914 4.823 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(OCc3ccccc3)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164801176 721572006 /nfs/dbraw/zinc/57/20/06/721572006.db2.gz GJQBIIOKPPQPMG-UBFVSLLYSA-N 1 0 464.997 4.577 20 0 JJADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908514 721585476 /nfs/dbraw/zinc/58/54/76/721585476.db2.gz ZRUMRBPHJUZODJ-OAQYLSRUSA-N 1 0 479.909 4.961 20 0 JJADRO CSc1nc(Cl)cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908009 721585999 /nfs/dbraw/zinc/58/59/99/721585999.db2.gz XZFGYFFIBCRTGL-GOSISDBHSA-N 1 0 475.943 4.530 20 0 JJADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164810103 721589334 /nfs/dbraw/zinc/58/93/34/721589334.db2.gz UJGKVFZOMJJNGE-QTEQDKRBSA-N 1 0 458.940 4.738 20 0 JJADRO C[C@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@]5(CC[N@H+](Cc6ccccn6)C5)C4)c23)C1 ZINC001164905376 721702790 /nfs/dbraw/zinc/70/27/90/721702790.db2.gz ISUPSGDASOPVLH-XDHUDOTRSA-N 1 0 469.605 4.949 20 0 JJADRO FC1(F)CCN(c2cc(Cl)nnc2-c2ccccc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904900 721705481 /nfs/dbraw/zinc/70/54/81/721705481.db2.gz FJONYUTUXSFBAU-QHCPKHFHSA-N 1 0 455.940 4.930 20 0 JJADRO Fc1cccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908230 721707836 /nfs/dbraw/zinc/70/78/36/721707836.db2.gz WMRHWFYKGSGCQX-SANMLTNESA-N 1 0 492.549 4.751 20 0 JJADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906480 721720063 /nfs/dbraw/zinc/72/00/63/721720063.db2.gz MHYNGSUQWOQNKB-QFIPXVFZSA-N 1 0 460.960 4.798 20 0 JJADRO FC1(F)CCN(c2ncc(Cl)nc2-c2ccccc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911245 721728370 /nfs/dbraw/zinc/72/83/70/721728370.db2.gz JJEWEJLXEZJNLB-QHCPKHFHSA-N 1 0 455.940 4.930 20 0 JJADRO FC1(F)CCN(c2cc(-c3nc(-c4cccs4)no3)ccn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911163 721730827 /nfs/dbraw/zinc/73/08/27/721730827.db2.gz IIUDHAKAPDOFTB-XMMPIXPASA-N 1 0 494.571 4.993 20 0 JJADRO FC1(F)CCN(c2nc(-c3ccccn3)nc3sccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912609 721733232 /nfs/dbraw/zinc/73/32/32/721733232.db2.gz OTTWLSFPHYYWAB-XMMPIXPASA-N 1 0 478.572 4.886 20 0 JJADRO FC1(F)CCN(c2cncc(OCc3cccc(Cl)c3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164910566 721734803 /nfs/dbraw/zinc/73/48/03/721734803.db2.gz GITXLEUHHVPWRZ-DEOSSOPVSA-N 1 0 485.966 4.842 20 0 JJADRO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1-c1ccccc1F ZINC001164912774 721735843 /nfs/dbraw/zinc/73/58/43/721735843.db2.gz QAFBJARXUSYORH-XMMPIXPASA-N 1 0 453.512 4.724 20 0 JJADRO FC1(F)CCN(c2c(Cl)nc(Cl)nc2C2CC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909100 721737678 /nfs/dbraw/zinc/73/76/78/721737678.db2.gz BGLTYIJWVQBECV-FQEVSTJZSA-N 1 0 454.352 4.794 20 0 JJADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165014600 721767490 /nfs/dbraw/zinc/76/74/90/721767490.db2.gz GZTWIOCBYKRBMC-UHFFFAOYSA-N 1 0 452.852 4.735 20 0 JJADRO CCS(=O)(=O)c1cc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)cnc1Cl ZINC001165015310 721768302 /nfs/dbraw/zinc/76/83/02/721768302.db2.gz KJKQBSHQOXRDRO-UHFFFAOYSA-N 1 0 492.935 4.585 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C[C@H]21 ZINC001165018713 721806935 /nfs/dbraw/zinc/80/69/35/721806935.db2.gz BZTYFSNRSADTTM-YMPZKCBVSA-N 1 0 488.039 4.660 20 0 JJADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026443 721809132 /nfs/dbraw/zinc/80/91/32/721809132.db2.gz QIKQIYKLAXUDNF-YUXAGFNASA-N 1 0 477.634 4.514 20 0 JJADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026440 721809210 /nfs/dbraw/zinc/80/92/10/721809210.db2.gz QIKQIYKLAXUDNF-BWAGFHJFSA-N 1 0 477.634 4.514 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C[C@H]21 ZINC001165022757 721817226 /nfs/dbraw/zinc/81/72/26/721817226.db2.gz HDBZWQYGIMMYJQ-MAODMQOUSA-N 1 0 468.964 4.588 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C[C@H]21 ZINC001165018823 721817904 /nfs/dbraw/zinc/81/79/04/721817904.db2.gz AOIJOWQRGIGYQP-MAODMQOUSA-N 1 0 468.964 4.588 20 0 JJADRO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165028907 721823146 /nfs/dbraw/zinc/82/31/46/721823146.db2.gz VVIOMEBAAMYILP-JBACZVJFSA-N 1 0 479.650 4.617 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@H]21 ZINC001165030137 721827656 /nfs/dbraw/zinc/82/76/56/721827656.db2.gz XXIUMJTWFAROEX-KSEOMHKRSA-N 1 0 472.618 4.992 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccccn4)nc4sccc43)C[C@H]21 ZINC001165024135 721828796 /nfs/dbraw/zinc/82/87/96/721828796.db2.gz JTBPHZWNGLBXIM-QTGUNEKASA-N 1 0 456.619 4.885 20 0 JJADRO COc1ccc(Oc2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc(C)n2)cc1 ZINC001165019159 721829344 /nfs/dbraw/zinc/82/93/44/721829344.db2.gz BFALVMCVSNIPRT-OPXMRZJTSA-N 1 0 459.594 4.718 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@H]21 ZINC001165028234 721830184 /nfs/dbraw/zinc/83/01/84/721830184.db2.gz UYXRHOYFFAASPN-YVWKXTFCSA-N 1 0 479.959 4.504 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@@H]21 ZINC001165027825 721832440 /nfs/dbraw/zinc/83/24/40/721832440.db2.gz UCZFXGINUQKXLY-HYVNUMGLSA-N 1 0 479.000 4.503 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3ccn(C(=O)c4ccccc4)c3n2)CC1 ZINC001165021188 721842998 /nfs/dbraw/zinc/84/29/98/721842998.db2.gz GVHWMKUHKYDPFP-UHFFFAOYSA-N 1 0 484.600 4.843 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(-c3nc(-c4cccs4)no3)ccn2)CC1 ZINC001165030849 721844087 /nfs/dbraw/zinc/84/40/87/721844087.db2.gz KHBPEBZNTVTQHB-UHFFFAOYSA-N 1 0 491.617 4.978 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933573 721878837 /nfs/dbraw/zinc/87/88/37/721878837.db2.gz MYMLUDMBTJBXPQ-XZOQPEGZSA-N 1 0 470.646 4.635 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933501 721879086 /nfs/dbraw/zinc/87/90/86/721879086.db2.gz MKMDVYMTMLRVHK-BJKOFHAPSA-N 1 0 490.721 4.559 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930966 721880089 /nfs/dbraw/zinc/88/00/89/721880089.db2.gz DPOONVBQEKRUJL-PKTZIBPZSA-N 1 0 470.646 4.635 20 0 JJADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c(Cl)nn2)cc1 ZINC001164930377 721890123 /nfs/dbraw/zinc/89/01/23/721890123.db2.gz BQCJVLVJFJWXRD-FCHUYYIVSA-N 1 0 464.004 4.680 20 0 JJADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164933968 721890299 /nfs/dbraw/zinc/89/02/99/721890299.db2.gz NSJHPNFHPCAAKB-MOPGFXCFSA-N 1 0 489.920 4.575 20 0 JJADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)c1 ZINC001164938043 721914204 /nfs/dbraw/zinc/91/42/04/721914204.db2.gz VAWSALUFLHJMGX-CALCHBBNSA-N 1 0 474.659 4.942 20 0 JJADRO c1sc2nc(CN3CCCCC3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC001165036241 721918146 /nfs/dbraw/zinc/91/81/46/721918146.db2.gz AUCLUSDBUPWVQV-QFIPXVFZSA-N 1 0 477.678 4.645 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc5cc(F)c(F)cc5nc4Cl)CC3)C2)cc1 ZINC001164939385 721925084 /nfs/dbraw/zinc/92/50/84/721925084.db2.gz LEVWKSNZZALFLZ-UHFFFAOYSA-N 1 0 458.940 4.741 20 0 JJADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H](c4ccncc4)C3)c21 ZINC001165040884 721928617 /nfs/dbraw/zinc/92/86/17/721928617.db2.gz SDFRYVLICFHOFH-NRFANRHFSA-N 1 0 474.992 4.786 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC3)C2)cc1 ZINC001164940192 721929390 /nfs/dbraw/zinc/92/93/90/721929390.db2.gz RKJDHFYRBPMCAR-UHFFFAOYSA-N 1 0 471.379 4.594 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5oc(-c6ccc(C)cc6)nc54)CC3)C2)cc1 ZINC001164940682 721931022 /nfs/dbraw/zinc/93/10/22/721931022.db2.gz WUNUOVHBTQDTHX-UHFFFAOYSA-N 1 0 469.589 4.773 20 0 JJADRO COc1ccc(Oc2cc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nc(C)n2)cc1 ZINC001164940233 721932995 /nfs/dbraw/zinc/93/29/95/721932995.db2.gz SRQHEIOQQYEVLQ-UHFFFAOYSA-N 1 0 474.605 4.766 20 0 JJADRO Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164954377 722004131 /nfs/dbraw/zinc/00/41/31/722004131.db2.gz WVDUHVHOBWLPQE-RPBOFIJWSA-N 1 0 461.613 4.817 20 0 JJADRO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001164953994 722005849 /nfs/dbraw/zinc/00/58/49/722005849.db2.gz UKGGLUZOQDDCLC-RXVVDRJESA-N 1 0 481.978 4.833 20 0 JJADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164951983 722014555 /nfs/dbraw/zinc/01/45/55/722014555.db2.gz FLNCEBOZDKZHAL-UHFFFAOYSA-N 1 0 461.919 4.855 20 0 JJADRO Fc1cccc(Cn2ccc3c2ncnc3N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164951988 722018367 /nfs/dbraw/zinc/01/83/67/722018367.db2.gz FLSNATBCSMQCFY-UHFFFAOYSA-N 1 0 456.569 4.506 20 0 JJADRO O=C(c1ccccc1)n1ccc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164955441 722021203 /nfs/dbraw/zinc/02/12/03/722021203.db2.gz GWHVVNUFKXBECG-UHFFFAOYSA-N 1 0 451.574 4.612 20 0 JJADRO c1ccc(-c2nc(-c3ccccc3)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164962228 722055223 /nfs/dbraw/zinc/05/52/23/722055223.db2.gz BTFWXJAFMNIQCJ-UHFFFAOYSA-N 1 0 492.627 4.720 20 0 JJADRO c1ccc2c(c1)cccc2-c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1 ZINC001164959948 722060859 /nfs/dbraw/zinc/06/08/59/722060859.db2.gz ACJWNPHBDQAFCA-UHFFFAOYSA-N 1 0 465.601 4.811 20 0 JJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962398 722061102 /nfs/dbraw/zinc/06/11/02/722061102.db2.gz RMZOCPIQBJIFMN-UHFFFAOYSA-N 1 0 472.967 4.947 20 0 JJADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC3)C2)ccn1 ZINC001164960658 722061292 /nfs/dbraw/zinc/06/12/92/722061292.db2.gz GDTUIXMTZMSEQF-UHFFFAOYSA-N 1 0 498.675 4.648 20 0 JJADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964311 722061923 /nfs/dbraw/zinc/06/19/23/722061923.db2.gz FTJZBRVEAFQVSF-UHFFFAOYSA-N 1 0 472.967 4.989 20 0 JJADRO Cc1cncc(COCc2cnc3n2CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)[C@@H]3C)c1 ZINC001164966354 722063026 /nfs/dbraw/zinc/06/30/26/722063026.db2.gz RLOWIKSJYBCYLG-HSZRJFAPSA-N 1 0 494.643 4.838 20 0 JJADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985808 722107751 /nfs/dbraw/zinc/10/77/51/722107751.db2.gz WYSXCJSIYBEZLO-FNZWTVRRSA-N 1 0 487.554 4.697 20 0 JJADRO Clc1cc2nc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1Cl ZINC001164971434 722108204 /nfs/dbraw/zinc/10/82/04/722108204.db2.gz CLFDTTXWWZSIAE-FOIQADDNSA-N 1 0 478.811 4.712 20 0 JJADRO Clc1cc2nc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1Cl ZINC001164971436 722108391 /nfs/dbraw/zinc/10/83/91/722108391.db2.gz CLFDTTXWWZSIAE-MGPUTAFESA-N 1 0 478.811 4.712 20 0 JJADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976317 722123057 /nfs/dbraw/zinc/12/30/57/722123057.db2.gz LEVIVFSOEHRJBM-APWZRJJASA-N 1 0 494.373 4.604 20 0 JJADRO c1ccc(COc2ccc3nc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc3c2)cc1 ZINC001164983205 722126127 /nfs/dbraw/zinc/12/61/27/722126127.db2.gz YMDBCYIVRGEEHH-GGXMVOPNSA-N 1 0 480.612 4.936 20 0 JJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981173 722126696 /nfs/dbraw/zinc/12/66/96/722126696.db2.gz UCCNWHMXTWSPIS-CTNGQTDRSA-N 1 0 458.940 4.555 20 0 JJADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975171 722129853 /nfs/dbraw/zinc/12/98/53/722129853.db2.gz FGAAFGPKTTZEDL-LAUBAEHRSA-N 1 0 473.404 4.673 20 0 JJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976030 722148943 /nfs/dbraw/zinc/14/89/43/722148943.db2.gz GLEVAGWYHYPRJR-SIKLNZKXSA-N 1 0 458.940 4.555 20 0 JJADRO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164971675 722154688 /nfs/dbraw/zinc/15/46/88/722154688.db2.gz CXKCKCIYXQRMSN-PGRDOPGGSA-N 1 0 486.403 4.698 20 0 JJADRO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977146 722154965 /nfs/dbraw/zinc/15/49/65/722154965.db2.gz XOJLNBVONLENNE-XMSQKQJNSA-N 1 0 486.403 4.698 20 0 JJADRO c1ccc(C[N@@H+]2CCc3nc(N4CCC[C@@]5(C[C@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976767 722164559 /nfs/dbraw/zinc/16/45/59/722164559.db2.gz CVSMJZYNSCLKPF-LITSAYRRSA-N 1 0 461.650 4.975 20 0 JJADRO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)CC[C@@H]32)cs1 ZINC001164992709 722183453 /nfs/dbraw/zinc/18/34/53/722183453.db2.gz SZMDBLRNPJSGLX-UIOOFZCWSA-N 1 0 473.646 4.719 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1 ZINC001164992376 722186284 /nfs/dbraw/zinc/18/62/84/722186284.db2.gz WECIGBLAMSKCLR-DSNGMDLFSA-N 1 0 469.699 4.653 20 0 JJADRO Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(c2cccc(OCC[NH+]3CCCC3)n2)CC1 ZINC001164992181 722189192 /nfs/dbraw/zinc/18/91/92/722189192.db2.gz XIKCGOMZPJCGRW-UHFFFAOYSA-N 1 0 486.616 4.656 20 0 JJADRO CN(C)C(=O)c1cc2cnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2n1C1CCCC1 ZINC001164995387 722199474 /nfs/dbraw/zinc/19/94/74/722199474.db2.gz NEJBAHFOCQIRHO-MUUNZHRXSA-N 1 0 490.627 4.632 20 0 JJADRO CC(C)c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359715494 1064263633 /nfs/dbraw/zinc/26/36/33/1064263633.db2.gz CJCYGXKACBRRBG-YADHBBJMSA-N 1 0 481.714 4.652 20 0 JJADRO CC(C)c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359715493 1064263786 /nfs/dbraw/zinc/26/37/86/1064263786.db2.gz CJCYGXKACBRRBG-VXKWHMMOSA-N 1 0 481.714 4.652 20 0 JJADRO CC(C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359715491 1064263825 /nfs/dbraw/zinc/26/38/25/1064263825.db2.gz CJCYGXKACBRRBG-FCHUYYIVSA-N 1 0 481.714 4.652 20 0 JJADRO CC(C)c1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CCC[N@H+](C)C1CCCCC1 ZINC001359716999 1064265693 /nfs/dbraw/zinc/26/56/93/1064265693.db2.gz DVKZZDGCIAFBCG-OAQYLSRUSA-N 1 0 456.654 4.910 20 0 JJADRO CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359719071 1064266167 /nfs/dbraw/zinc/26/61/67/1064266167.db2.gz AWPXXNFXUILAFA-ISKFKSNPSA-N 1 0 496.700 4.759 20 0 JJADRO CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359719395 1064266720 /nfs/dbraw/zinc/26/67/20/1064266720.db2.gz LDNQCCJSRXELKT-QFIPXVFZSA-N 1 0 475.685 4.833 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1Cc1cscc1C(F)(F)F ZINC001359720551 1064267953 /nfs/dbraw/zinc/26/79/53/1064267953.db2.gz WHYCATVQYZBWIT-UHFFFAOYSA-N 1 0 463.573 4.895 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001545862761 1064270759 /nfs/dbraw/zinc/27/07/59/1064270759.db2.gz RUUYRAXBJXBBBQ-UPVQGACJSA-N 1 0 480.701 4.906 20 0 JJADRO CCOc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1OCC ZINC001545865094 1064272314 /nfs/dbraw/zinc/27/23/14/1064272314.db2.gz OBVGETIBECQPBY-LJQANCHMSA-N 1 0 452.595 4.517 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001545865447 1064273162 /nfs/dbraw/zinc/27/31/62/1064273162.db2.gz BQBHDSUODRCWTF-UHFFFAOYSA-N 1 0 480.701 4.857 20 0 JJADRO CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359727101 1064273741 /nfs/dbraw/zinc/27/37/41/1064273741.db2.gz IVNMFQVTTAGEAW-FKBYEOEOSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001359727427 1064274105 /nfs/dbraw/zinc/27/41/05/1064274105.db2.gz UGOQXUCUDIVUOP-ZRBLBEILSA-N 1 0 482.673 4.540 20 0 JJADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001545867039 1064276778 /nfs/dbraw/zinc/27/67/78/1064276778.db2.gz RUJWRRMVXHCGFM-DYESRHJHSA-N 1 0 459.403 4.938 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2CC)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545868647 1064280856 /nfs/dbraw/zinc/28/08/56/1064280856.db2.gz UNDBVZULVBADEH-PMOQBDJRSA-N 1 0 458.695 4.618 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545870051 1064282015 /nfs/dbraw/zinc/28/20/15/1064282015.db2.gz FOFYHLWPFGCJOQ-DHIUTWEWSA-N 1 0 494.728 4.949 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC1CCCCC1 ZINC001545875967 1064292951 /nfs/dbraw/zinc/29/29/51/1064292951.db2.gz MJEXHLNFEVDBFK-UHFFFAOYSA-N 1 0 472.722 4.869 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001545875815 1064293002 /nfs/dbraw/zinc/29/30/02/1064293002.db2.gz HLNDORMJMWKVRK-ACIOBRDBSA-N 1 0 490.712 4.816 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545879700 1064294643 /nfs/dbraw/zinc/29/46/43/1064294643.db2.gz DKBXDXYQIBGGKN-IFMALSPDSA-N 1 0 451.394 4.636 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+](CC)CC)CC2)n1Cc1oc2ccccc2c1C ZINC001545879527 1064294803 /nfs/dbraw/zinc/29/48/03/1064294803.db2.gz YUXFCZNENBZJJR-UHFFFAOYSA-N 1 0 480.657 4.610 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1nn(-c2ccccc2Cl)cc1C ZINC001545879856 1064295355 /nfs/dbraw/zinc/29/53/55/1064295355.db2.gz HZCMESFXNZPUTJ-HXUWFJFHSA-N 1 0 452.986 4.666 20 0 JJADRO CCn1c2ccc(Br)cc2nc1NC(=O)C1(c2ccccc2)CC[NH+](CC)CC1 ZINC001545884567 1064300917 /nfs/dbraw/zinc/30/09/17/1064300917.db2.gz YBGIBAPIBGDKEK-UHFFFAOYSA-N 1 0 455.400 4.811 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001359738829 1064303620 /nfs/dbraw/zinc/30/36/20/1064303620.db2.gz DZILBSOSWLOSJJ-MOPGFXCFSA-N 1 0 477.495 4.793 20 0 JJADRO CC(C)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCCCC2)CC1 ZINC001359739564 1064307763 /nfs/dbraw/zinc/30/77/63/1064307763.db2.gz XILBWPYNKFZXJJ-UHFFFAOYSA-N 1 0 463.468 4.784 20 0 JJADRO CC(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCOCC1 ZINC001359739626 1064308396 /nfs/dbraw/zinc/30/83/96/1064308396.db2.gz ZILNWLFRBZGJBE-HSZRJFAPSA-N 1 0 460.066 4.828 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001359740489 1064309749 /nfs/dbraw/zinc/30/97/49/1064309749.db2.gz XGCUEBQTMWTHAW-VGOFRKELSA-N 1 0 478.504 4.627 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001359740487 1064309868 /nfs/dbraw/zinc/30/98/68/1064309868.db2.gz XGCUEBQTMWTHAW-HTAPYJJXSA-N 1 0 478.504 4.627 20 0 JJADRO C[N@H+](CCNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)Cc1ccccc1 ZINC001434876627 1064310447 /nfs/dbraw/zinc/31/04/47/1064310447.db2.gz HZAZUMDFPDOZLZ-UHFFFAOYSA-N 1 0 458.602 4.562 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cncnc4)cc3F)cc2Cl)CC1 ZINC001434879876 1064312142 /nfs/dbraw/zinc/31/21/42/1064312142.db2.gz GGGQPPUGVXMFKX-UHFFFAOYSA-N 1 0 453.949 4.720 20 0 JJADRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883969 1064315929 /nfs/dbraw/zinc/31/59/29/1064315929.db2.gz QCUPZDUPGWFAEG-FXAWDEMLSA-N 1 0 453.384 4.509 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001359745617 1064319785 /nfs/dbraw/zinc/31/97/85/1064319785.db2.gz NKCAOYMCDGPGQQ-IBGZPJMESA-N 1 0 478.106 4.553 20 0 JJADRO Cc1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c(Br)c1 ZINC001434895475 1064323808 /nfs/dbraw/zinc/32/38/08/1064323808.db2.gz WSGDWBLBTURWMY-UHFFFAOYSA-N 1 0 450.808 4.734 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001359746660 1064325398 /nfs/dbraw/zinc/32/53/98/1064325398.db2.gz KVTCSEUUYMQJBA-UXHICEINSA-N 1 0 460.047 4.824 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001359747556 1064328817 /nfs/dbraw/zinc/32/88/17/1064328817.db2.gz DOLZSHPXGLABHP-TZIWHRDSSA-N 1 0 461.054 4.509 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)[N@H+](C)C2CC2)CCS1 ZINC001359747767 1064330328 /nfs/dbraw/zinc/33/03/28/1064330328.db2.gz IALWZRQDLINLAY-FOIQADDNSA-N 1 0 496.494 4.907 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCS1 ZINC001359749449 1064336905 /nfs/dbraw/zinc/33/69/05/1064336905.db2.gz RBBICGTUORKYMZ-QPPBQGQZSA-N 1 0 464.683 4.829 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[C@@H](C)[NH+]2CCCCC2)CCS1 ZINC001359754071 1064344396 /nfs/dbraw/zinc/34/43/96/1064344396.db2.gz XKSVQEJXQWHXNR-OFNKIYASSA-N 1 0 459.679 4.850 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001359753915 1064344429 /nfs/dbraw/zinc/34/44/29/1064344429.db2.gz UOALOUVYHXIFLB-XUZZJYLKSA-N 1 0 457.638 4.524 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[C@H](C)[NH+]2CCCCC2)CCS1 ZINC001359754070 1064344533 /nfs/dbraw/zinc/34/45/33/1064344533.db2.gz XKSVQEJXQWHXNR-NZQKXSOJSA-N 1 0 459.679 4.850 20 0 JJADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1 ZINC001434917631 1064344838 /nfs/dbraw/zinc/34/48/38/1064344838.db2.gz DEJBHKOZKMCUOK-UHFFFAOYSA-N 1 0 456.608 4.517 20 0 JJADRO CC(=O)Nc1cc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc(C(F)(F)F)c1 ZINC001434917617 1064344906 /nfs/dbraw/zinc/34/49/06/1064344906.db2.gz CPVXNVBCEJPRJS-UHFFFAOYSA-N 1 0 451.514 4.773 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H](c2ccco2)[NH+](C)C)CCS1 ZINC001359754371 1064345058 /nfs/dbraw/zinc/34/50/58/1064345058.db2.gz DITHTRCQWCPXIH-GMAHTHKFSA-N 1 0 453.656 4.537 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001359755102 1064347252 /nfs/dbraw/zinc/34/72/52/1064347252.db2.gz SICABQZHFAQYLD-YADHBBJMSA-N 1 0 490.073 4.736 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCSc2cccc(Cl)c2)CC1 ZINC001434921471 1064349502 /nfs/dbraw/zinc/34/95/02/1064349502.db2.gz PXLDDTQCCLXOQA-KRWDZBQOSA-N 1 0 450.023 4.981 20 0 JJADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCS1 ZINC001359755777 1064351142 /nfs/dbraw/zinc/35/11/42/1064351142.db2.gz GKYFCXNVMBPQOT-SSGKUCQKSA-N 1 0 477.763 4.895 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2csc(-c3ccccc3C)n2)CC1 ZINC001434922754 1064351322 /nfs/dbraw/zinc/35/13/22/1064351322.db2.gz UXPIPCWFSRDTHN-GOSISDBHSA-N 1 0 452.599 4.891 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(Oc2c(OC)cccc2OC)CC1 ZINC001434941930 1064364244 /nfs/dbraw/zinc/36/42/44/1064364244.db2.gz FBSQZBGLGKPKKB-ISKFKSNPSA-N 1 0 466.622 4.622 20 0 JJADRO CC(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359759734 1064365743 /nfs/dbraw/zinc/36/57/43/1064365743.db2.gz LDRUGUTUCYDRRC-AOYPEHQESA-N 1 0 467.702 4.825 20 0 JJADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC001434948065 1064369050 /nfs/dbraw/zinc/36/90/50/1064369050.db2.gz XUTHNLISAFGRSH-UHFFFAOYSA-N 1 0 458.278 4.610 20 0 JJADRO CC(C)[C@H]1OCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359763284 1064378802 /nfs/dbraw/zinc/37/88/02/1064378802.db2.gz IDRWZCOLZQBVGY-AHKZPQOWSA-N 1 0 467.702 4.825 20 0 JJADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001434963972 1064378815 /nfs/dbraw/zinc/37/88/15/1064378815.db2.gz WPZGUZHTHCKIIM-GOSISDBHSA-N 1 0 451.014 4.556 20 0 JJADRO CC(C)CC(=O)Nc1cccc(Cn2c(C3CCC3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001359763834 1064381019 /nfs/dbraw/zinc/38/10/19/1064381019.db2.gz QXRFBTDDWAJETM-UHFFFAOYSA-N 1 0 452.647 4.545 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)C1)[NH+](C)C ZINC001359764681 1064384606 /nfs/dbraw/zinc/38/46/06/1064384606.db2.gz HDPJFYRKXGAOJN-AZUAARDMSA-N 1 0 464.054 4.663 20 0 JJADRO CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001359764768 1064385356 /nfs/dbraw/zinc/38/53/56/1064385356.db2.gz IXTWNLYQVHDXIL-JOCHJYFZSA-N 1 0 480.701 4.820 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC001359765236 1064386715 /nfs/dbraw/zinc/38/67/15/1064386715.db2.gz SNTWRGVQFILNKV-ZIFCJYIRSA-N 1 0 465.484 4.505 20 0 JJADRO CC(C)CC(=O)Nc1cccc(Cn2c(N3CC[C@@H]([NH+]4CCCCC4)C3)nnc2C(C)(C)C)c1 ZINC001359765335 1064387637 /nfs/dbraw/zinc/38/76/37/1064387637.db2.gz VAZBEBKNNWVDLL-HSZRJFAPSA-N 1 0 466.674 4.673 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001359765657 1064388239 /nfs/dbraw/zinc/38/82/39/1064388239.db2.gz AAXPCRRJXDIPPP-FQEVSTJZSA-N 1 0 477.600 4.672 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2sccc2C1)[NH+](C)C ZINC001359765588 1064388252 /nfs/dbraw/zinc/38/82/52/1064388252.db2.gz YZCKIFCKRHPMOR-SFHVURJKSA-N 1 0 491.503 4.647 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](COc2ccccc2)C1)[NH+](C)C ZINC001359765741 1064388852 /nfs/dbraw/zinc/38/88/52/1064388852.db2.gz AZMAKPZWZJBPDZ-IFMALSPDSA-N 1 0 483.060 4.875 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)cc1F)[NH+](C)C ZINC001359765829 1064389012 /nfs/dbraw/zinc/38/90/12/1064389012.db2.gz CLKHVZUTXWSMGN-IBGZPJMESA-N 1 0 462.976 4.884 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001359765832 1064389065 /nfs/dbraw/zinc/38/90/65/1064389065.db2.gz CMSBDXQGDUVCNL-OAQYLSRUSA-N 1 0 488.055 4.827 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001359766060 1064390234 /nfs/dbraw/zinc/39/02/34/1064390234.db2.gz HNLILMQUVNPTPN-KFWWJZLASA-N 1 0 458.445 4.540 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001359766241 1064390813 /nfs/dbraw/zinc/39/08/13/1064390813.db2.gz KBSMYNFRZRUFSW-PDOGEWKWSA-N 1 0 496.483 4.612 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001359766361 1064391899 /nfs/dbraw/zinc/39/18/99/1064391899.db2.gz MGTMRXVCIZZGDB-DOTOQJQBSA-N 1 0 484.483 4.765 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001359766522 1064392687 /nfs/dbraw/zinc/39/26/87/1064392687.db2.gz PCUSNLCEAWAWFK-XHSDSOJGSA-N 1 0 454.482 4.838 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001359766426 1064392789 /nfs/dbraw/zinc/39/27/89/1064392789.db2.gz NPGFVYSGTZWBOD-QGZVFWFLSA-N 1 0 496.519 4.895 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Br)cc1)[NH+](C)C ZINC001359767255 1064396228 /nfs/dbraw/zinc/39/62/28/1064396228.db2.gz DGZOEWJRDDNMNJ-IBGZPJMESA-N 1 0 459.436 4.648 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)[NH+](C)C ZINC001359767970 1064396956 /nfs/dbraw/zinc/39/69/56/1064396956.db2.gz QWNVBDPKIKWVIA-LJQANCHMSA-N 1 0 472.584 4.576 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCc1ccc(Br)cc1)[NH+](C)C ZINC001359767643 1064397059 /nfs/dbraw/zinc/39/70/59/1064397059.db2.gz LUFAWDRECKUMHF-NRFANRHFSA-N 1 0 485.474 4.758 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCc2ccc(Br)cc2C1)[NH+](C)C ZINC001359767542 1064397201 /nfs/dbraw/zinc/39/72/01/1064397201.db2.gz JRBOBTXLHRQOFN-QFIPXVFZSA-N 1 0 483.458 4.642 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1)[NH+](C)C ZINC001359768461 1064397790 /nfs/dbraw/zinc/39/77/90/1064397790.db2.gz ATOOWDDVICPOLK-FCHUYYIVSA-N 1 0 490.490 4.862 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1)[NH+](C)C ZINC001359768161 1064397832 /nfs/dbraw/zinc/39/78/32/1064397832.db2.gz VKPHMUYYNSJQHY-QUCCMNQESA-N 1 0 485.702 4.581 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1Cc2ccccc2C1)[NH+](C)C ZINC001359769803 1064400210 /nfs/dbraw/zinc/40/02/10/1064400210.db2.gz VDXSCAMSKUOEQN-DEOSSOPVSA-N 1 0 496.700 4.889 20 0 JJADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)[NH+](C)C ZINC001359770775 1064402709 /nfs/dbraw/zinc/40/27/09/1064402709.db2.gz LPGZSKOOOXIHQF-LEWJYISDSA-N 1 0 458.670 4.697 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)[NH+](C)C ZINC001359770778 1064402842 /nfs/dbraw/zinc/40/28/42/1064402842.db2.gz LPGZSKOOOXIHQF-SFTDATJTSA-N 1 0 458.670 4.697 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1)[NH+](C)C ZINC001359771117 1064403569 /nfs/dbraw/zinc/40/35/69/1064403569.db2.gz QXSXOUJNRLTANC-NRFANRHFSA-N 1 0 459.013 4.669 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001359771293 1064404465 /nfs/dbraw/zinc/40/44/65/1064404465.db2.gz UGZAEBVZPWJVFE-FQEVSTJZSA-N 1 0 450.075 4.534 20 0 JJADRO CC(C)C[C@H](Cn1c(N2CCC(c3nc4ccccc4[nH]3)CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001359772037 1064407106 /nfs/dbraw/zinc/40/71/06/1064407106.db2.gz IFSJVCJBZAOBGZ-HXUWFJFHSA-N 1 0 451.663 4.812 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CCOCC2)C1)[NH+](C)C ZINC001359772348 1064408221 /nfs/dbraw/zinc/40/82/21/1064408221.db2.gz NUUVTTOMYKGUJX-JTHBVZDNSA-N 1 0 490.092 4.740 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)C)C1)[NH+](C)C ZINC001359772383 1064408329 /nfs/dbraw/zinc/40/83/29/1064408329.db2.gz OPROTKYLQHRBSK-ILBGXUMGSA-N 1 0 485.717 4.992 20 0 JJADRO CC(C)C[C@@H](Cn1c(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001359772491 1064408861 /nfs/dbraw/zinc/40/88/61/1064408861.db2.gz QGJBOFVEQYTMOX-RTWAWAEBSA-N 1 0 478.726 4.635 20 0 JJADRO CC(C)C[C@@H](Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1)[NH+](C)C ZINC001359772531 1064408877 /nfs/dbraw/zinc/40/88/77/1064408877.db2.gz RGXVAOIYRMHMLO-NRFANRHFSA-N 1 0 493.618 4.618 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001359772627 1064408895 /nfs/dbraw/zinc/40/88/95/1064408895.db2.gz SYCHXSJRZXWUDJ-WXFUMESZSA-N 1 0 490.092 4.709 20 0 JJADRO CC(C)C[C@H](Cn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001359772541 1064408949 /nfs/dbraw/zinc/40/89/49/1064408949.db2.gz RLJPDLBFNJYYTQ-OTPAQWSUSA-N 1 0 475.703 4.698 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001359772994 1064409943 /nfs/dbraw/zinc/40/99/43/1064409943.db2.gz ZZYTWAIVZBOWPU-NSHGMRRFSA-N 1 0 466.095 4.817 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001359777168 1064420334 /nfs/dbraw/zinc/42/03/34/1064420334.db2.gz CGHRTFDDGMJMMQ-NAKRPHOHSA-N 1 0 467.702 4.909 20 0 JJADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001359777211 1064420560 /nfs/dbraw/zinc/42/05/60/1064420560.db2.gz DOCGQLNRCFWMHH-GOTSBHOMSA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001359779587 1064426087 /nfs/dbraw/zinc/42/60/87/1064426087.db2.gz QWIDAMXCKQBRRZ-PMACEKPBSA-N 1 0 456.660 4.993 20 0 JJADRO Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)cc1-c1cnn(C)c1 ZINC001435013142 1064429620 /nfs/dbraw/zinc/42/96/20/1064429620.db2.gz MLCLOMVJFRAANT-UHFFFAOYSA-N 1 0 459.594 4.852 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccccc2C(F)(F)F)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001359781052 1064431539 /nfs/dbraw/zinc/43/15/39/1064431539.db2.gz RXDDOKPZOLEIPX-UHFFFAOYSA-N 1 0 479.591 4.777 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001359781938 1064433309 /nfs/dbraw/zinc/43/33/09/1064433309.db2.gz ZVGGJNRELHNLBI-UHFFFAOYSA-N 1 0 463.674 4.622 20 0 JJADRO CC(C)Cc1nnc(N(C)CC2CC(F)(F)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359782843 1064434953 /nfs/dbraw/zinc/43/49/53/1064434953.db2.gz GUVBDVKDLUEPIE-UHFFFAOYSA-N 1 0 455.663 4.710 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359792753 1064450108 /nfs/dbraw/zinc/45/01/08/1064450108.db2.gz PBRFBVFCAHUICZ-ZPFZUWPUSA-N 1 0 453.675 4.747 20 0 JJADRO COc1ccc2c(c1)C[C@@H](C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1)CO2 ZINC001435038672 1064454580 /nfs/dbraw/zinc/45/45/80/1064454580.db2.gz BYLGMERDSFOLGJ-RUZDIDTESA-N 1 0 458.602 4.816 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359796081 1064455580 /nfs/dbraw/zinc/45/55/80/1064455580.db2.gz UCLKTWYUWFPQDN-UHFFFAOYSA-N 1 0 469.649 4.837 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C3(Cc4cccc(F)c4)CCC3)CC2)c1C ZINC001359796439 1064456176 /nfs/dbraw/zinc/45/61/76/1064456176.db2.gz ZTGMRORQEMMZQO-UHFFFAOYSA-N 1 0 453.602 4.682 20 0 JJADRO Cc1cc(C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)nc(C(F)(F)F)n1 ZINC001435041424 1064458134 /nfs/dbraw/zinc/45/81/34/1064458134.db2.gz MCHOHNINNILRHB-UHFFFAOYSA-N 1 0 456.512 4.987 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001359798557 1064462317 /nfs/dbraw/zinc/46/23/17/1064462317.db2.gz KSKWFUIAVVEBIH-HNNXBMFYSA-N 1 0 457.507 4.774 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359798644 1064462401 /nfs/dbraw/zinc/46/24/01/1064462401.db2.gz MHTYYYANEQQLOS-FGZHOGPDSA-N 1 0 490.737 4.871 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359800222 1064466807 /nfs/dbraw/zinc/46/68/07/1064466807.db2.gz DJACEIJEBKZQNQ-RLWLMLJZSA-N 1 0 471.665 4.688 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001359800852 1064467786 /nfs/dbraw/zinc/46/77/86/1064467786.db2.gz LNLCPXBHOJQTJG-CJFMBICVSA-N 1 0 474.093 4.812 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359807878 1064479104 /nfs/dbraw/zinc/47/91/04/1064479104.db2.gz DXJJJMPUICNUSN-UHFFFAOYSA-N 1 0 488.721 4.600 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCc1c[nH]c2cc(F)ccc12 ZINC001359807910 1064479148 /nfs/dbraw/zinc/47/91/48/1064479148.db2.gz FLAQHQSZPFSWMQ-UHFFFAOYSA-N 1 0 454.638 4.896 20 0 JJADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC001435064899 1064484370 /nfs/dbraw/zinc/48/43/70/1064484370.db2.gz OVSWZDMDVVFSMU-UHFFFAOYSA-N 1 0 456.993 4.723 20 0 JJADRO Cn1nc(C(F)F)c2cc(C(=O)N(CC[NH+]3CCCC3)Cc3ccc(Cl)cc3)sc21 ZINC001435067336 1064487721 /nfs/dbraw/zinc/48/77/21/1064487721.db2.gz KRFFTKMRLDVNOJ-UHFFFAOYSA-N 1 0 452.958 4.964 20 0 JJADRO CC(C)Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCCN(C)c1ccccc1F ZINC001359812496 1064489239 /nfs/dbraw/zinc/48/92/39/1064489239.db2.gz NIZMELZIJKQWBZ-UHFFFAOYSA-N 1 0 456.654 4.597 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001359814504 1064491723 /nfs/dbraw/zinc/49/17/23/1064491723.db2.gz IHJNFDCMSCMLBM-DEOSSOPVSA-N 1 0 499.679 4.528 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001359815000 1064494732 /nfs/dbraw/zinc/49/47/32/1064494732.db2.gz DMNXQULMEBYJPJ-UHFFFAOYSA-N 1 0 474.093 4.883 20 0 JJADRO CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359815251 1064495469 /nfs/dbraw/zinc/49/54/69/1064495469.db2.gz YWSDTGNOODFKLE-UHFFFAOYSA-N 1 0 481.689 4.532 20 0 JJADRO CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359815214 1064495583 /nfs/dbraw/zinc/49/55/83/1064495583.db2.gz XXDFIEYMTKIRGX-DEOSSOPVSA-N 1 0 499.679 4.527 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359817462 1064500437 /nfs/dbraw/zinc/50/04/37/1064500437.db2.gz FAYVTQDTZLZTCE-XMMPIXPASA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359817829 1064500655 /nfs/dbraw/zinc/50/06/55/1064500655.db2.gz LTHNGANOQYCXED-HSZRJFAPSA-N 1 0 451.615 4.558 20 0 JJADRO Cn1cc(C(=O)c2cccc3ccccc32)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC001435079087 1064501510 /nfs/dbraw/zinc/50/15/10/1064501510.db2.gz IDMLDQFSHOZNLL-UHFFFAOYSA-N 1 0 457.549 4.752 20 0 JJADRO CC(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359821370 1064504617 /nfs/dbraw/zinc/50/46/17/1064504617.db2.gz IOGSJUXEXGVXDO-RTBURBONSA-N 1 0 474.491 4.922 20 0 JJADRO C[NH+](C)CCCOc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1 ZINC001435095323 1064511013 /nfs/dbraw/zinc/51/10/13/1064511013.db2.gz SBCFZSFFKMKSOI-UHFFFAOYSA-N 1 0 456.178 4.794 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001359832826 1064517363 /nfs/dbraw/zinc/51/73/63/1064517363.db2.gz PCTRBTIDSWCMOF-OTPAQWSUSA-N 1 0 459.704 4.537 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001359832849 1064517392 /nfs/dbraw/zinc/51/73/92/1064517392.db2.gz POFUBGOJHYHGHJ-PKTZIBPZSA-N 1 0 490.737 4.824 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359833307 1064518480 /nfs/dbraw/zinc/51/84/80/1064518480.db2.gz WBVKZTLUANLQPK-UXHICEINSA-N 1 0 481.611 4.654 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359833658 1064519649 /nfs/dbraw/zinc/51/96/49/1064519649.db2.gz ZHMFOQSLWLGLNX-XXAUWVGASA-N 1 0 490.737 4.728 20 0 JJADRO CC(C)Cc1nnc(N2CCCN(c3ccccc3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001359841735 1064528986 /nfs/dbraw/zinc/52/89/86/1064528986.db2.gz ZKGHSDNVWABWEJ-DEOSSOPVSA-N 1 0 452.691 4.705 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(F)cc1Br ZINC001359845417 1064531187 /nfs/dbraw/zinc/53/11/87/1064531187.db2.gz YAQQTXUFWXNNHT-UHFFFAOYSA-N 1 0 458.169 4.555 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc2c(cncc2Cl)s1 ZINC001359846801 1064532801 /nfs/dbraw/zinc/53/28/01/1064532801.db2.gz AGGUGAJEMIEXAG-UHFFFAOYSA-N 1 0 452.805 4.916 20 0 JJADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001359846916 1064532900 /nfs/dbraw/zinc/53/29/00/1064532900.db2.gz KSZPBTGRNBRXPN-QFIPXVFZSA-N 1 0 498.716 4.811 20 0 JJADRO CC(C)Cn1cccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1=O ZINC001359846852 1064532926 /nfs/dbraw/zinc/53/29/26/1064532926.db2.gz CICHWJBMSVNVBZ-UHFFFAOYSA-N 1 0 450.410 4.549 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCC(C(=O)N(C)C)CC1 ZINC001359847254 1064533528 /nfs/dbraw/zinc/53/35/28/1064533528.db2.gz KGYBCMIJXWCJOK-UHFFFAOYSA-N 1 0 456.458 4.558 20 0 JJADRO COCCOc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC001359847746 1064533993 /nfs/dbraw/zinc/53/39/93/1064533993.db2.gz VKVJQLWNQURFDL-UHFFFAOYSA-N 1 0 451.394 4.757 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)[C@@H](C)C1 ZINC001435131309 1064535980 /nfs/dbraw/zinc/53/59/80/1064535980.db2.gz DRQLQOZINICACN-FUHWJXTLSA-N 1 0 454.537 4.503 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)[C@H](C)C1 ZINC001435131308 1064536293 /nfs/dbraw/zinc/53/62/93/1064536293.db2.gz DRQLQOZINICACN-AEFFLSMTSA-N 1 0 454.537 4.503 20 0 JJADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc(Cl)c1OCC(C)C ZINC001359851349 1064538390 /nfs/dbraw/zinc/53/83/90/1064538390.db2.gz JJNMJEAVJPODEO-UHFFFAOYSA-N 1 0 454.945 4.866 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)[C@@H](C)C1 ZINC001435134462 1064538542 /nfs/dbraw/zinc/53/85/42/1064538542.db2.gz OZSIEDKFLJKZLP-MBSDFSHPSA-N 1 0 459.034 4.578 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359852676 1064540175 /nfs/dbraw/zinc/54/01/75/1064540175.db2.gz RXDOCEDLYHHYKB-NRFANRHFSA-N 1 0 459.082 4.579 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCc1cc(Br)ccc1F ZINC001359855170 1064542651 /nfs/dbraw/zinc/54/26/51/1064542651.db2.gz DUIJMURZRJMOFM-UHFFFAOYSA-N 1 0 478.454 4.686 20 0 JJADRO CSc1cccc(N(C(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)C2CC[NH+](C)CC2)c1 ZINC001435148040 1064548172 /nfs/dbraw/zinc/54/81/72/1064548172.db2.gz IVUHYOMLXAWPLI-GOSISDBHSA-N 1 0 452.546 4.629 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001359859912 1064548946 /nfs/dbraw/zinc/54/89/46/1064548946.db2.gz JVQQFFHFLRPTDQ-VWLOTQADSA-N 1 0 493.618 4.629 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCc1ccccc1Cl ZINC001359860283 1064549659 /nfs/dbraw/zinc/54/96/59/1064549659.db2.gz OIGHTPGGYWNLPW-UHFFFAOYSA-N 1 0 458.075 4.799 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359864007 1064553593 /nfs/dbraw/zinc/55/35/93/1064553593.db2.gz CSLMANJWCZWQRN-PZJWPPBQSA-N 1 0 453.528 4.772 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001359864887 1064553927 /nfs/dbraw/zinc/55/39/27/1064553927.db2.gz TVPRLJAVCWDUIS-DEOSSOPVSA-N 1 0 453.675 4.762 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359866306 1064557648 /nfs/dbraw/zinc/55/76/48/1064557648.db2.gz OYRMKSBVEGPDTE-RBUKOAKNSA-N 1 0 466.095 4.890 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001359867371 1064559343 /nfs/dbraw/zinc/55/93/43/1064559343.db2.gz AOELOMUZLQTRGX-VQTJNVASSA-N 1 0 476.735 4.785 20 0 JJADRO CC(C)Cc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359872336 1064563940 /nfs/dbraw/zinc/56/39/40/1064563940.db2.gz BNPLFCKMISTYOP-PMACEKPBSA-N 1 0 451.750 4.559 20 0 JJADRO CC1CCC([NH+]2CCN(C(=O)COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)CC1 ZINC001435168885 1064564804 /nfs/dbraw/zinc/56/48/04/1064564804.db2.gz FQOZRIJUHLEIRG-UHFFFAOYSA-N 1 0 454.998 4.673 20 0 JJADRO Cc1nc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001435177032 1064569901 /nfs/dbraw/zinc/56/99/01/1064569901.db2.gz YPSFLJXOMNBVQP-OAHLLOKOSA-N 1 0 458.393 4.838 20 0 JJADRO Cc1ccc(-n2nc(Br)cc2C(=O)Nc2cccc(OCCC[NH+](C)C)c2)cc1 ZINC001435180204 1064572151 /nfs/dbraw/zinc/57/21/51/1064572151.db2.gz SCHGYGADSCJLRF-UHFFFAOYSA-N 1 0 457.372 4.526 20 0 JJADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2cccc(OCCC[NH+](C)C)c2)cc1 ZINC001435180641 1064572199 /nfs/dbraw/zinc/57/21/99/1064572199.db2.gz VCQNPECRYDXCSN-UHFFFAOYSA-N 1 0 457.578 4.679 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359879359 1064572363 /nfs/dbraw/zinc/57/23/63/1064572363.db2.gz UOSHJMUTSYXBEL-DPPGTGKWSA-N 1 0 475.722 4.702 20 0 JJADRO COC1CC[NH+](C2(CNC(=O)CCc3cccc(OCc4ccccc4)c3)CCCC2)CC1 ZINC001435188292 1064577179 /nfs/dbraw/zinc/57/71/79/1064577179.db2.gz DPPDPLPMZKJNNG-UHFFFAOYSA-N 1 0 450.623 4.738 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001359884879 1064579865 /nfs/dbraw/zinc/57/98/65/1064579865.db2.gz RWWSBHHKASGIMV-JOCHJYFZSA-N 1 0 460.066 4.507 20 0 JJADRO COC1CC[NH+](C2(CNC(=O)CCc3cc(Cl)ccc3Br)CCCC2)CC1 ZINC001435190302 1064580217 /nfs/dbraw/zinc/58/02/17/1064580217.db2.gz WOWNCCDJFVTGAX-UHFFFAOYSA-N 1 0 457.840 4.575 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001359886573 1064582261 /nfs/dbraw/zinc/58/22/61/1064582261.db2.gz NQFISPDHABLHKV-JOCHJYFZSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001359890497 1064590111 /nfs/dbraw/zinc/59/01/11/1064590111.db2.gz KURYSTRDDDRAAH-MUUNZHRXSA-N 1 0 478.685 4.572 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359891358 1064591678 /nfs/dbraw/zinc/59/16/78/1064591678.db2.gz ZOTCBQBSFYCMSQ-SANMLTNESA-N 1 0 453.631 4.845 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001359891856 1064593064 /nfs/dbraw/zinc/59/30/64/1064593064.db2.gz YGMXTRAYUYJHFO-VWLOTQADSA-N 1 0 477.097 4.737 20 0 JJADRO Cc1cc(Oc2ccccc2)ccc1C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001435211337 1064593586 /nfs/dbraw/zinc/59/35/86/1064593586.db2.gz CBELTOSLGOLHIZ-UHFFFAOYSA-N 1 0 459.590 4.690 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001359895027 1064596690 /nfs/dbraw/zinc/59/66/90/1064596690.db2.gz WBCHVDDNTGDARA-VBOOUTDYSA-N 1 0 483.701 4.808 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001359896193 1064598470 /nfs/dbraw/zinc/59/84/70/1064598470.db2.gz NWOFTOVGUUEVDR-GIGWZHCTSA-N 1 0 490.696 4.552 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359899678 1064607085 /nfs/dbraw/zinc/60/70/85/1064607085.db2.gz QLKQNEKBZZWUCE-VHFRWLAGSA-N 1 0 477.738 4.695 20 0 JJADRO CC(C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001359901760 1064611373 /nfs/dbraw/zinc/61/13/73/1064611373.db2.gz CBRGOZCZORBOEK-UHFFFAOYSA-N 1 0 488.055 4.971 20 0 JJADRO CC(C)CCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001359904631 1064619524 /nfs/dbraw/zinc/61/95/24/1064619524.db2.gz RXFZGKLFKRFANB-UHFFFAOYSA-N 1 0 456.654 4.515 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)[C@@H](C)C1 ZINC001435249711 1064626506 /nfs/dbraw/zinc/62/65/06/1064626506.db2.gz XVTFTPCPHZPQSH-KKSFZXQISA-N 1 0 458.400 4.504 20 0 JJADRO CC(C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001359911659 1064628322 /nfs/dbraw/zinc/62/83/22/1064628322.db2.gz CVMOZYXFNJJEMS-SZPZYZBQSA-N 1 0 488.721 4.940 20 0 JJADRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OCc1csc(Br)c1 ZINC001435254113 1064631068 /nfs/dbraw/zinc/63/10/68/1064631068.db2.gz GXYOCCGMLHHZGS-QAPCUYQASA-N 1 0 451.430 4.810 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCC[NH+]1CCOCC1 ZINC001359914678 1064634768 /nfs/dbraw/zinc/63/47/68/1064634768.db2.gz LSICMJGEXOQRDY-HXUWFJFHSA-N 1 0 459.704 4.726 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359915489 1064636570 /nfs/dbraw/zinc/63/65/70/1064636570.db2.gz NNNKBSUCAAJNLB-SFTDATJTSA-N 1 0 455.647 4.914 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(OCc3ccccc3)cc2)[C@H]1c1cccs1 ZINC001435260283 1064636661 /nfs/dbraw/zinc/63/66/61/1064636661.db2.gz IOVKKBSMQLXARI-RLWLMLJZSA-N 1 0 450.604 4.905 20 0 JJADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001435262088 1064638417 /nfs/dbraw/zinc/63/84/17/1064638417.db2.gz ROOISJSBICWJBO-LMVRJCEZSA-N 1 0 459.612 4.511 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359917719 1064639517 /nfs/dbraw/zinc/63/95/17/1064639517.db2.gz LQASHIBKMUZDNK-OYRHEFFESA-N 1 0 479.673 4.834 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359921299 1064646920 /nfs/dbraw/zinc/64/69/20/1064646920.db2.gz DHTQDTXVFFLSLI-FDFHNCONSA-N 1 0 476.710 4.796 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001435272780 1064650568 /nfs/dbraw/zinc/65/05/68/1064650568.db2.gz KOWOVJJNNOUCRB-TZRRMPRUSA-N 1 0 457.659 4.831 20 0 JJADRO CC(C)CCN(c1nnc(-c2cccc(Br)c2)n1CC[NH+]1CCSCC1)C1CC1 ZINC001359923654 1064653636 /nfs/dbraw/zinc/65/36/36/1064653636.db2.gz ROQRNNQNLYLAFA-UHFFFAOYSA-N 1 0 478.504 4.771 20 0 JJADRO CC(C)CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1)C1CC1 ZINC001359924453 1064655060 /nfs/dbraw/zinc/65/50/60/1064655060.db2.gz QDKBIDYIROGMSZ-QFIPXVFZSA-N 1 0 486.705 4.669 20 0 JJADRO CC(C)CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC001359924673 1064655899 /nfs/dbraw/zinc/65/58/99/1064655899.db2.gz WGSKBCLLWUEBQT-OAQYLSRUSA-N 1 0 488.721 4.892 20 0 JJADRO CC(C)CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC001359926479 1064658827 /nfs/dbraw/zinc/65/88/27/1064658827.db2.gz PQVMOPOGKYGUJO-UNMCSNQZSA-N 1 0 474.694 4.849 20 0 JJADRO CC(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001359934005 1064677030 /nfs/dbraw/zinc/67/70/30/1064677030.db2.gz SDUMJSVRDBGSKS-QGZVFWFLSA-N 1 0 466.457 4.988 20 0 JJADRO Cc1noc(C)c1CSc1ncccc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435302624 1064677795 /nfs/dbraw/zinc/67/77/95/1064677795.db2.gz HILJPGUOFZZZJJ-NRFANRHFSA-N 1 0 450.608 4.573 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@H]2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545890147 1064679910 /nfs/dbraw/zinc/67/99/10/1064679910.db2.gz RPRGSRHRBWFEGS-QHAWAJNXSA-N 1 0 498.691 4.827 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545890146 1064679972 /nfs/dbraw/zinc/67/99/72/1064679972.db2.gz RPRGSRHRBWFEGS-NJYVYQBISA-N 1 0 498.691 4.827 20 0 JJADRO C[NH+](C)CCOc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 ZINC001359946353 1064694152 /nfs/dbraw/zinc/69/41/52/1064694152.db2.gz IQHTWIBXMKKWFL-GDLZYMKVSA-N 1 0 458.602 4.790 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC001435320260 1064694427 /nfs/dbraw/zinc/69/44/27/1064694427.db2.gz YUOODTVGGOKQDM-UHFFFAOYSA-N 1 0 456.999 4.866 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001359947759 1064697936 /nfs/dbraw/zinc/69/79/36/1064697936.db2.gz OXOSMFBDNYYWHQ-KDURUIRLSA-N 1 0 491.522 4.896 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CCc3ccccc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001359948974 1064701732 /nfs/dbraw/zinc/70/17/32/1064701732.db2.gz UWBWTYPZPLMAOA-QHCPKHFHSA-N 1 0 467.702 4.825 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccc3Br)nnc2N2CCCOCC2)CC1 ZINC001359949157 1064702171 /nfs/dbraw/zinc/70/21/71/1064702171.db2.gz XIMIOGYAQCRPOA-UHFFFAOYSA-N 1 0 490.490 4.692 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001359950514 1064705282 /nfs/dbraw/zinc/70/52/82/1064705282.db2.gz JYXFLCZPUQCSON-RTWAWAEBSA-N 1 0 469.674 4.856 20 0 JJADRO CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001359951057 1064708228 /nfs/dbraw/zinc/70/82/28/1064708228.db2.gz QPDUGAKFPFPQBE-UHFFFAOYSA-N 1 0 451.611 4.670 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N3CCC(Oc4ncccc4F)CC3)nnc2C(C)(C)C)CC1 ZINC001359951199 1064708801 /nfs/dbraw/zinc/70/88/01/1064708801.db2.gz UAJNWPDSKRRHOJ-UHFFFAOYSA-N 1 0 486.680 4.916 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001435338784 1064709148 /nfs/dbraw/zinc/70/91/48/1064709148.db2.gz JQTCUZDUARLRRF-MBSDFSHPSA-N 1 0 456.030 4.643 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001435339312 1064709229 /nfs/dbraw/zinc/70/92/29/1064709229.db2.gz MZNAQRXZWVGSHP-JXFKEZNVSA-N 1 0 454.368 4.745 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001435338785 1064709651 /nfs/dbraw/zinc/70/96/51/1064709651.db2.gz JQTCUZDUARLRRF-WZONZLPQSA-N 1 0 456.030 4.643 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001359951708 1064710647 /nfs/dbraw/zinc/71/06/47/1064710647.db2.gz CMRBNURWCRARKW-XMMPIXPASA-N 1 0 483.701 4.699 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CC(C)C)cc1 ZINC001359951785 1064711104 /nfs/dbraw/zinc/71/11/04/1064711104.db2.gz FSPJKZNVLCIVGZ-UHFFFAOYSA-N 1 0 469.674 4.575 20 0 JJADRO O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001435344976 1064712907 /nfs/dbraw/zinc/71/29/07/1064712907.db2.gz GQYMEBUOEDYKRK-DEOSSOPVSA-N 1 0 455.643 4.634 20 0 JJADRO CN(C)CC(=O)Nc1ccc(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)cc1 ZINC001435351799 1064717776 /nfs/dbraw/zinc/71/77/76/1064717776.db2.gz LCMUNZXLNUMUOK-UHFFFAOYSA-N 1 0 458.534 4.505 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001359954147 1064718512 /nfs/dbraw/zinc/71/85/12/1064718512.db2.gz DJYYMRVGOZBJQO-UHFFFAOYSA-N 1 0 493.494 4.552 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001359954384 1064720183 /nfs/dbraw/zinc/72/01/83/1064720183.db2.gz IUDGDAXTMKHPJP-FQEVSTJZSA-N 1 0 475.081 4.757 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(Nc3ccn(C)n3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001359954766 1064721509 /nfs/dbraw/zinc/72/15/09/1064721509.db2.gz PXVHUMDLKKGJSH-JOCHJYFZSA-N 1 0 465.646 4.968 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)cc1 ZINC001359955118 1064723486 /nfs/dbraw/zinc/72/34/86/1064723486.db2.gz QKUBDKKIVMHUAZ-LADGPHEKSA-N 1 0 469.674 4.573 20 0 JJADRO CC(C)CCOC1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359958108 1064726881 /nfs/dbraw/zinc/72/68/81/1064726881.db2.gz MOYKDFBXECHIAZ-ARNLJNQMSA-N 1 0 475.722 4.919 20 0 JJADRO CC(C)CCOCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359958989 1064730132 /nfs/dbraw/zinc/73/01/32/1064730132.db2.gz NCJXKSMBGNTCTQ-UHFFFAOYSA-N 1 0 463.070 4.757 20 0 JJADRO CC(C)CCOCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001359959069 1064730779 /nfs/dbraw/zinc/73/07/79/1064730779.db2.gz QJLQHSBCRIKLJJ-OAQYLSRUSA-N 1 0 490.092 4.741 20 0 JJADRO CC(C)CCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359963892 1064736741 /nfs/dbraw/zinc/73/67/41/1064736741.db2.gz FAWGMGGGTGPIMW-HXUWFJFHSA-N 1 0 461.626 4.540 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359970811 1064747113 /nfs/dbraw/zinc/74/71/13/1064747113.db2.gz FJUSFYWVVVPRDV-MRXNPFEDSA-N 1 0 451.457 4.638 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001359971475 1064748129 /nfs/dbraw/zinc/74/81/29/1064748129.db2.gz XGUVHHWRFSVDFO-LJQANCHMSA-N 1 0 475.435 4.948 20 0 JJADRO CC(C)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359973458 1064751197 /nfs/dbraw/zinc/75/11/97/1064751197.db2.gz SOUVBTXZVDIJJT-INIZCTEOSA-N 1 0 454.482 4.982 20 0 JJADRO CC(C)CN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1([NH+](C)C)CCSC1)C(C)C ZINC001359982586 1064758209 /nfs/dbraw/zinc/75/82/09/1064758209.db2.gz CLQQOSPIFPVEFL-CYFREDJKSA-N 1 0 463.667 4.865 20 0 JJADRO CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)[NH+]1CCC(C)CC1)C1CCCC1 ZINC001359983251 1064759821 /nfs/dbraw/zinc/75/98/21/1064759821.db2.gz MXKIETHHIHUGLM-KCWPFWIISA-N 1 0 475.722 4.844 20 0 JJADRO CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001359983472 1064760468 /nfs/dbraw/zinc/76/04/68/1064760468.db2.gz ZDHRGVUYFBVDSJ-SFTDATJTSA-N 1 0 486.661 4.872 20 0 JJADRO CN(C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001435448903 1064763479 /nfs/dbraw/zinc/76/34/79/1064763479.db2.gz GQTBYPCHOGSXTD-IBGZPJMESA-N 1 0 457.496 4.913 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC001359985823 1064764936 /nfs/dbraw/zinc/76/49/36/1064764936.db2.gz RBQZJYMARWXXKW-BGYRXZFFSA-N 1 0 475.081 4.898 20 0 JJADRO CC(C)CN(c1nnc(-c2cn(C)c3ccccc23)n1CC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC001359987775 1064768522 /nfs/dbraw/zinc/76/85/22/1064768522.db2.gz WUVNICWHZGNJHJ-UHFFFAOYSA-N 1 0 479.717 4.581 20 0 JJADRO C[NH+](C)CCCOc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)cc1 ZINC001359987818 1064768548 /nfs/dbraw/zinc/76/85/48/1064768548.db2.gz LWTBBEPLNSIEEB-MAODHWIISA-N 1 0 459.631 4.675 20 0 JJADRO CC(C)CN(c1nnc(Cc2ccccc2F)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC001359991487 1064773072 /nfs/dbraw/zinc/77/30/72/1064773072.db2.gz ZYRAHWATWHBWFR-SFTDATJTSA-N 1 0 459.654 4.767 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1csc2nccn12)[NH+](C)C ZINC001435471373 1064777047 /nfs/dbraw/zinc/77/70/47/1064777047.db2.gz JXKBLIVIHOKIEW-IBGZPJMESA-N 1 0 453.439 4.860 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC001435472376 1064777516 /nfs/dbraw/zinc/77/75/16/1064777516.db2.gz QVHJHIMEFJAQEB-UHFFFAOYSA-N 1 0 458.031 4.844 20 0 JJADRO CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001359995463 1064780774 /nfs/dbraw/zinc/78/07/74/1064780774.db2.gz STCRIVVATRZEKA-QGZVFWFLSA-N 1 0 464.427 4.815 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360007235 1064794865 /nfs/dbraw/zinc/79/48/65/1064794865.db2.gz ARADLRBBDIFYKC-NZQKXSOJSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001360007501 1064795291 /nfs/dbraw/zinc/79/52/91/1064795291.db2.gz DGJQMWADZFTCCL-HBMCJLEFSA-N 1 0 476.065 4.665 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@H]2C)C1 ZINC001360007852 1064795763 /nfs/dbraw/zinc/79/57/63/1064795763.db2.gz HHZISFWEGFMFIX-YADHBBJMSA-N 1 0 453.675 4.836 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)C1 ZINC001360007851 1064796190 /nfs/dbraw/zinc/79/61/90/1064796190.db2.gz HHZISFWEGFMFIX-VXKWHMMOSA-N 1 0 453.675 4.836 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)C1 ZINC001360008205 1064796457 /nfs/dbraw/zinc/79/64/57/1064796457.db2.gz MYPOLLUNFPHBSV-MOPGFXCFSA-N 1 0 465.564 4.771 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccoc2)C1 ZINC001360008335 1064797369 /nfs/dbraw/zinc/79/73/69/1064797369.db2.gz PNRGWSPGMSSKBP-GOSISDBHSA-N 1 0 489.462 4.644 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCC[C@@H](c3noc(C(C)C)n3)C2)C1 ZINC001360008327 1064797553 /nfs/dbraw/zinc/79/75/53/1064797553.db2.gz PLAITASXSNUNNO-LEWJYISDSA-N 1 0 457.667 4.660 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001360008566 1064797997 /nfs/dbraw/zinc/79/79/97/1064797997.db2.gz TWNZHEGRMSNKMW-QFIPXVFZSA-N 1 0 482.717 4.571 20 0 JJADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001435512670 1064798260 /nfs/dbraw/zinc/79/82/60/1064798260.db2.gz HFHOQOKLLWACMQ-UHFFFAOYSA-N 1 0 459.388 4.504 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C1 ZINC001360010001 1064800984 /nfs/dbraw/zinc/80/09/84/1064800984.db2.gz IRULBMSZAUGPAW-UYAOXDASSA-N 1 0 479.591 4.594 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010184 1064801480 /nfs/dbraw/zinc/80/14/80/1064801480.db2.gz LYZUJTWKBRJNJJ-FYYLOGMGSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001360010366 1064801637 /nfs/dbraw/zinc/80/16/37/1064801637.db2.gz OXPQAPQFNIPMQV-BHIFYINESA-N 1 0 490.737 4.584 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010186 1064801705 /nfs/dbraw/zinc/80/17/05/1064801705.db2.gz LYZUJTWKBRJNJJ-GMAHTHKFSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001360010451 1064802695 /nfs/dbraw/zinc/80/26/95/1064802695.db2.gz PYJNIQBNZLHDQG-HXUWFJFHSA-N 1 0 464.580 4.877 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCC[N@H+](CC(C)C)C1)C(C)C ZINC001360010524 1064802735 /nfs/dbraw/zinc/80/27/35/1064802735.db2.gz RDRYRQYWSLQCER-NRFANRHFSA-N 1 0 455.647 4.913 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C(C)C)C2)C1 ZINC001360010530 1064802810 /nfs/dbraw/zinc/80/28/10/1064802810.db2.gz RFSWKHXUYYLMTO-WMZHIEFXSA-N 1 0 478.056 4.967 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360010594 1064803342 /nfs/dbraw/zinc/80/33/42/1064803342.db2.gz SEPHMDACRUGRBR-LEWJYISDSA-N 1 0 460.066 4.829 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N(C)CCN(C)c2ccccc2)C1 ZINC001360010680 1064803610 /nfs/dbraw/zinc/80/36/10/1064803610.db2.gz UMEGGVOEERSGEM-HSZRJFAPSA-N 1 0 452.691 4.876 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](COC(C)C)C2)C1 ZINC001360010752 1064804480 /nfs/dbraw/zinc/80/44/80/1064804480.db2.gz VWDSOASSKYROCJ-FCHUYYIVSA-N 1 0 490.092 4.597 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC[C@H]2C(C)C)C1 ZINC001360011312 1064805395 /nfs/dbraw/zinc/80/53/95/1064805395.db2.gz BRPAXQZUIVEESC-GGAORHGYSA-N 1 0 457.638 4.989 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360012017 1064807421 /nfs/dbraw/zinc/80/74/21/1064807421.db2.gz KQXWNVIIYKAHDV-NHCUHLMSSA-N 1 0 486.730 4.510 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](C)CC2)C1 ZINC001360011907 1064807506 /nfs/dbraw/zinc/80/75/06/1064807506.db2.gz KBXCGNABLNBIIB-RPWUZVMVSA-N 1 0 453.675 4.894 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)C1 ZINC001360012105 1064808158 /nfs/dbraw/zinc/80/81/58/1064808158.db2.gz MPPCACKQAFXBLQ-BHIFYINESA-N 1 0 457.638 4.847 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCc2nccs2)CC1 ZINC001360016145 1064814796 /nfs/dbraw/zinc/81/47/96/1064814796.db2.gz XLONPTBHXBEQKU-IBGZPJMESA-N 1 0 489.089 4.939 20 0 JJADRO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCCC2)[C@H](C)C1=O ZINC001360017201 1064817228 /nfs/dbraw/zinc/81/72/28/1064817228.db2.gz BKHGHUYQZNXFQK-HXUWFJFHSA-N 1 0 487.092 4.556 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(F)(F)Br)CC1 ZINC001360017464 1064817765 /nfs/dbraw/zinc/81/77/65/1064817765.db2.gz GDAQMXXRZMNULO-UHFFFAOYSA-N 1 0 480.760 4.503 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(C)CCCO2)CC1 ZINC001360018354 1064819453 /nfs/dbraw/zinc/81/94/53/1064819453.db2.gz NYEAHDIALUCDSC-JOCHJYFZSA-N 1 0 496.881 4.708 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCSC2)CC1 ZINC001360018904 1064820957 /nfs/dbraw/zinc/82/09/57/1064820957.db2.gz YJSCRKRKXZFNDS-INIZCTEOSA-N 1 0 454.471 4.783 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001360018659 1064820985 /nfs/dbraw/zinc/82/09/85/1064820985.db2.gz UABBZDAKABPEKW-YADHBBJMSA-N 1 0 453.675 4.836 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSc2ccccc2)CC1 ZINC001360018653 1064821105 /nfs/dbraw/zinc/82/11/05/1064821105.db2.gz SLGAUHVEJVIUCH-UHFFFAOYSA-N 1 0 489.487 4.606 20 0 JJADRO CCOc1ccc([C@@]2(C(=O)N(CC[NH+](C)C)Cc3ccccc3F)CC2(Cl)Cl)cc1 ZINC001360019394 1064821807 /nfs/dbraw/zinc/82/18/07/1064821807.db2.gz MVMJUSJHBNJVBZ-JOCHJYFZSA-N 1 0 453.385 4.630 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC2(C)C)CC1 ZINC001360018979 1064821994 /nfs/dbraw/zinc/82/19/94/1064821994.db2.gz WJSXMUHSWDJKLV-OAHLLOKOSA-N 1 0 452.466 4.593 20 0 JJADRO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1 ZINC001360019488 1064822730 /nfs/dbraw/zinc/82/27/30/1064822730.db2.gz QRORAZWKIHFSLM-GOSISDBHSA-N 1 0 459.428 4.982 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc(Oc2ccccn2)c1 ZINC001360028472 1064830128 /nfs/dbraw/zinc/83/01/28/1064830128.db2.gz IUIZCPVXJQELIG-UHFFFAOYSA-N 1 0 454.368 4.840 20 0 JJADRO Cc1nc2cc(C(=O)N(CC[NH+]3CCCC3)Cc3ccc(Cl)c(Cl)c3)ccc2c(=O)[nH]1 ZINC001360028677 1064830260 /nfs/dbraw/zinc/83/02/60/1064830260.db2.gz PPXAXZQYFMMIPE-UHFFFAOYSA-N 1 0 459.377 4.689 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001360028777 1064830283 /nfs/dbraw/zinc/83/02/83/1064830283.db2.gz VKOVHHNWKBVHBO-UHFFFAOYSA-N 1 0 452.549 4.623 20 0 JJADRO Cc1nn(C)c2sc(C(=O)N(CC[NH+]3CCCC3)Cc3ccc(Cl)c(Cl)c3)cc12 ZINC001360028619 1064830432 /nfs/dbraw/zinc/83/04/32/1064830432.db2.gz ODMYEMABNJKXCP-UHFFFAOYSA-N 1 0 451.423 4.988 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(C)(F)F)CC1 ZINC001360033612 1064835851 /nfs/dbraw/zinc/83/58/51/1064835851.db2.gz FVSVFXKVTNYBBH-UHFFFAOYSA-N 1 0 463.617 4.978 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2ccncc2)CC1 ZINC001360033659 1064836097 /nfs/dbraw/zinc/83/60/97/1064836097.db2.gz HCYCJZBJJHIIFL-UHFFFAOYSA-N 1 0 471.074 4.640 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[C@@H]2CCCCO2)CC1 ZINC001360033528 1064836196 /nfs/dbraw/zinc/83/61/96/1064836196.db2.gz COZKLTMGJDMPQY-FQEVSTJZSA-N 1 0 496.483 4.901 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2=CCCCC2)CC1 ZINC001360033757 1064837173 /nfs/dbraw/zinc/83/71/73/1064837173.db2.gz JKJXDJOHJNROAJ-QFIPXVFZSA-N 1 0 472.678 4.629 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H]2CCSC2)C1 ZINC001360034959 1064839445 /nfs/dbraw/zinc/83/94/45/1064839445.db2.gz IFLMTGSOGSNCIE-DHIUTWEWSA-N 1 0 471.715 4.541 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001360035176 1064839829 /nfs/dbraw/zinc/83/98/29/1064839829.db2.gz JWVVUVXZLMIGDU-UHFFFAOYSA-N 1 0 457.496 4.883 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@H](C)C2)C1 ZINC001360035924 1064842396 /nfs/dbraw/zinc/84/23/96/1064842396.db2.gz RCHOPLMKVMLFHX-PKOBYXMFSA-N 1 0 466.457 4.845 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@H](C)CC[C@H]2C)C1 ZINC001360036048 1064843392 /nfs/dbraw/zinc/84/33/92/1064843392.db2.gz RVLLQSCIKASABB-CZYKHXBRSA-N 1 0 473.637 4.539 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H](C)c2ccco2)C1 ZINC001360038072 1064848632 /nfs/dbraw/zinc/84/86/32/1064848632.db2.gz AZGYJCNBHXMSMH-DENIHFKCSA-N 1 0 488.032 4.658 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)Cc2noc3ccc(Br)cc32)C[N@@H+]1Cc1ccccc1 ZINC001435585588 1064850391 /nfs/dbraw/zinc/85/03/91/1064850391.db2.gz KGTXJCZYFIAPOM-AEFFLSMTSA-N 1 0 456.384 4.550 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(CC3CCCC3)nnc2N(C)Cc2c(F)cccc2Cl)C1 ZINC001360038931 1064851343 /nfs/dbraw/zinc/85/13/43/1064851343.db2.gz IPKJOJFODSVICC-FQEVSTJZSA-N 1 0 478.056 4.797 20 0 JJADRO COc1ccc(CCC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001435587526 1064852170 /nfs/dbraw/zinc/85/21/70/1064852170.db2.gz RKRYDECDTPSILI-QUCCMNQESA-N 1 0 459.428 4.807 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001360039185 1064852306 /nfs/dbraw/zinc/85/23/06/1064852306.db2.gz JLIJSAJNBDRIKS-SFHVURJKSA-N 1 0 498.535 4.684 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)C2CCCCC2)C1 ZINC001360040202 1064854178 /nfs/dbraw/zinc/85/41/78/1064854178.db2.gz VQVGWTYMHBMYOC-VLYJIQRVSA-N 1 0 489.749 4.959 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(C3CCCC3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360042318 1064858256 /nfs/dbraw/zinc/85/82/56/1064858256.db2.gz RWXGNEZEAWHVPN-UHFFFAOYSA-N 1 0 474.694 4.505 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)ccc1Cl ZINC001435592487 1064858939 /nfs/dbraw/zinc/85/89/39/1064858939.db2.gz NBHMXKZCSXCZLE-UHFFFAOYSA-N 1 0 459.871 4.822 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C(F)(F)c2ccc(Cl)cc2)ccc1Cl ZINC001435593669 1064859450 /nfs/dbraw/zinc/85/94/50/1064859450.db2.gz WRMWPHIHGMFHDG-UHFFFAOYSA-N 1 0 458.336 4.796 20 0 JJADRO CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)c2)CC1 ZINC001435598741 1064863408 /nfs/dbraw/zinc/86/34/08/1064863408.db2.gz ASVQEMKLBKBCTC-UKILVPOCSA-N 1 0 454.014 4.773 20 0 JJADRO CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)c2)CC1 ZINC001435598739 1064863603 /nfs/dbraw/zinc/86/36/03/1064863603.db2.gz ASVQEMKLBKBCTC-ILBGXUMGSA-N 1 0 454.014 4.773 20 0 JJADRO CC1CC[NH+](CCc2cccc(NC(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)c2)CC1 ZINC001435600111 1064864319 /nfs/dbraw/zinc/86/43/19/1064864319.db2.gz MROZHZVIDNDCJR-UHFFFAOYSA-N 1 0 457.500 4.813 20 0 JJADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(F)cc(Br)c1 ZINC001435601533 1064865826 /nfs/dbraw/zinc/86/58/26/1064865826.db2.gz XZCSQNVSEUUEAA-HXUWFJFHSA-N 1 0 457.347 4.792 20 0 JJADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)nc2)C1 ZINC001435604295 1064868062 /nfs/dbraw/zinc/86/80/62/1064868062.db2.gz FRMOORJYAJGTOV-JOCHJYFZSA-N 1 0 450.970 4.707 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc3c(c2)oc2ccccc23)cc1OC ZINC001435604778 1064868130 /nfs/dbraw/zinc/86/81/30/1064868130.db2.gz XTALIXMMALMLMT-UHFFFAOYSA-N 1 0 459.546 4.919 20 0 JJADRO CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(C3CCCC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001360048928 1064869842 /nfs/dbraw/zinc/86/98/42/1064869842.db2.gz KUWBFVHECNNVOJ-PZJWPPBQSA-N 1 0 487.693 4.809 20 0 JJADRO CC(C)COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001360050445 1064875263 /nfs/dbraw/zinc/87/52/63/1064875263.db2.gz SPHMCPMVGUJFLM-QHCPKHFHSA-N 1 0 455.647 4.523 20 0 JJADRO Cc1cc(NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001435613229 1064875791 /nfs/dbraw/zinc/87/57/91/1064875791.db2.gz BNLQYRQNCJQRSF-XPWALMASSA-N 1 0 481.641 4.661 20 0 JJADRO COc1ccc(SCCCC(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001435616991 1064879682 /nfs/dbraw/zinc/87/96/82/1064879682.db2.gz MBGGVTJLDJMVOC-OAQYLSRUSA-N 1 0 450.608 4.850 20 0 JJADRO CN(C)c1cc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001435617463 1064879742 /nfs/dbraw/zinc/87/97/42/1064879742.db2.gz QCYVTISVDVSFSQ-HXUWFJFHSA-N 1 0 457.500 4.667 20 0 JJADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC001435630056 1064891094 /nfs/dbraw/zinc/89/10/94/1064891094.db2.gz XLVSOWKNOKZVGO-UHFFFAOYSA-N 1 0 454.459 4.654 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCC2)C1 ZINC001360058795 1064896047 /nfs/dbraw/zinc/89/60/47/1064896047.db2.gz VWQKQHMRNBJRQL-LJQANCHMSA-N 1 0 464.029 4.863 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001360058714 1064896154 /nfs/dbraw/zinc/89/61/54/1064896154.db2.gz UTHAZJILMCKZAX-HSZRJFAPSA-N 1 0 464.658 4.863 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001360060963 1064900503 /nfs/dbraw/zinc/90/05/03/1064900503.db2.gz RHNBBSBPFHLFDX-FYYLOGMGSA-N 1 0 462.642 4.721 20 0 JJADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC001360061103 1064900597 /nfs/dbraw/zinc/90/05/97/1064900597.db2.gz VLMDKTSHYBFFLA-PNTFMKQHSA-N 1 0 461.993 4.699 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC001360061700 1064901251 /nfs/dbraw/zinc/90/12/51/1064901251.db2.gz AKNBZHNQBWQLBB-IMSXRSKXSA-N 1 0 459.704 4.873 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001360061840 1064901773 /nfs/dbraw/zinc/90/17/73/1064901773.db2.gz CWKCKEZMSOVCSC-WMZHIEFXSA-N 1 0 475.628 4.519 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001360063925 1064904652 /nfs/dbraw/zinc/90/46/52/1064904652.db2.gz SYTZBXLIIPMZEN-RTWAWAEBSA-N 1 0 475.628 4.663 20 0 JJADRO CC(C)COCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360066596 1064909427 /nfs/dbraw/zinc/90/94/27/1064909427.db2.gz LBEJLKGCVVMYJP-FQEVSTJZSA-N 1 0 461.626 4.540 20 0 JJADRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1F ZINC001435655947 1064912238 /nfs/dbraw/zinc/91/22/38/1064912238.db2.gz GAYUCVCMUTVNAK-WPFOTENUSA-N 1 0 451.586 4.841 20 0 JJADRO Cc1ccccc1C[NH+]1CCN(c2nnc(CC3CCCC3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001492596930 1064919261 /nfs/dbraw/zinc/91/92/61/1064919261.db2.gz YHWDHRRWFPHLCZ-UHFFFAOYSA-N 1 0 492.634 4.526 20 0 JJADRO CC(C)CSCCCn1c(-c2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001360076353 1064925658 /nfs/dbraw/zinc/92/56/58/1064925658.db2.gz MOSQVMJGBKXTEI-QFIPXVFZSA-N 1 0 464.683 4.830 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C[C@H]2CCC3(CCOCC3)CO2)cc1)C[C@@H]1CCCCO1 ZINC001435672343 1064926056 /nfs/dbraw/zinc/92/60/56/1064926056.db2.gz FTEQHRLUCCTERM-RPBOFIJWSA-N 1 0 458.643 4.771 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)cc1)C[C@H]1CCCCO1 ZINC001435674752 1064927253 /nfs/dbraw/zinc/92/72/53/1064927253.db2.gz SGWQEDJGHFVNIG-RTWAWAEBSA-N 1 0 452.521 4.795 20 0 JJADRO CC(C)CSCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001360079449 1064934093 /nfs/dbraw/zinc/93/40/93/1064934093.db2.gz JKSLKTRVHACNEP-JOCHJYFZSA-N 1 0 462.107 4.976 20 0 JJADRO CC(C)CSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001360088848 1064954592 /nfs/dbraw/zinc/95/45/92/1064954592.db2.gz ASAIXRAQMREIMV-YTFSRNRJSA-N 1 0 477.763 4.898 20 0 JJADRO COc1ccc(/C=C(/C)C(=O)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cc1F ZINC001435723449 1064955542 /nfs/dbraw/zinc/95/55/42/1064955542.db2.gz IOUCRTYMMZGPJF-XGOKOPLISA-N 1 0 454.586 4.563 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)cc2)CC1 ZINC001435724228 1064956186 /nfs/dbraw/zinc/95/61/86/1064956186.db2.gz CCYWSRYIUJLCON-UHFFFAOYSA-N 1 0 458.393 4.962 20 0 JJADRO Cc1ccc(C(=O)NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cc1Br ZINC001435726049 1064957449 /nfs/dbraw/zinc/95/74/49/1064957449.db2.gz WSQISZRMPRJKII-KDURUIRLSA-N 1 0 459.428 4.697 20 0 JJADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc(Cl)c4ncccc34)cc2)C[C@@H]1C ZINC001435726528 1064958936 /nfs/dbraw/zinc/95/89/36/1064958936.db2.gz ZOJWXXYUNGXEJZ-OALUTQOASA-N 1 0 451.998 4.827 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CSCc3coc(-c4ccccc4)n3)cc2)CC1 ZINC001435726611 1064959072 /nfs/dbraw/zinc/95/90/72/1064959072.db2.gz QVBWVHDKGZIHSO-UHFFFAOYSA-N 1 0 450.608 4.744 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCC1 ZINC001360092024 1064959970 /nfs/dbraw/zinc/95/99/70/1064959970.db2.gz PFOMCVYTYFVIBE-UHFFFAOYSA-N 1 0 471.447 4.913 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001360092501 1064961295 /nfs/dbraw/zinc/96/12/95/1064961295.db2.gz HTLWHCGSNXPPAJ-QFIPXVFZSA-N 1 0 494.728 4.813 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC=CO2)CC1 ZINC001360092516 1064961486 /nfs/dbraw/zinc/96/14/86/1064961486.db2.gz IKCFPAYNXCVQRY-FQEVSTJZSA-N 1 0 462.013 4.987 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nccn2C(F)F)CC1 ZINC001360092658 1064962916 /nfs/dbraw/zinc/96/29/16/1064962916.db2.gz NQBVCKBKZGVCDI-UHFFFAOYSA-N 1 0 477.991 4.795 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001360092673 1064962991 /nfs/dbraw/zinc/96/29/91/1064962991.db2.gz OACJHPBFKHVVPY-PGUFJCEWSA-N 1 0 496.725 4.597 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001360092847 1064964843 /nfs/dbraw/zinc/96/48/43/1064964843.db2.gz VBWZNGWBMBFHDZ-UHFFFAOYSA-N 1 0 477.701 4.873 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)Cc1cccs1 ZINC001360092876 1064964866 /nfs/dbraw/zinc/96/48/66/1064964866.db2.gz VWHCHVDJPULUKO-UHFFFAOYSA-N 1 0 460.651 4.850 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001360094569 1064965897 /nfs/dbraw/zinc/96/58/97/1064965897.db2.gz DWXKXOIPBHECRR-QHCPKHFHSA-N 1 0 474.644 4.683 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(F)cn2)CC1 ZINC001360094836 1064967392 /nfs/dbraw/zinc/96/73/92/1064967392.db2.gz NEPAEMTYFSVZEU-UHFFFAOYSA-N 1 0 456.997 4.738 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001360094948 1064967694 /nfs/dbraw/zinc/96/76/94/1064967694.db2.gz QVDIBGUGKBAHSR-UHFFFAOYSA-N 1 0 455.676 4.632 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001360095084 1064968571 /nfs/dbraw/zinc/96/85/71/1064968571.db2.gz WPCKPNCDRXTLTP-HSZRJFAPSA-N 1 0 488.721 4.892 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCc2nccs2)CC1 ZINC001360095490 1064970055 /nfs/dbraw/zinc/97/00/55/1064970055.db2.gz KOWBMRJEGQKRIO-UHFFFAOYSA-N 1 0 470.662 4.654 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC001360095401 1064970271 /nfs/dbraw/zinc/97/02/71/1064970271.db2.gz HWKPJEQJBSTGKT-UHFFFAOYSA-N 1 0 469.674 4.979 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccsc2)CC1 ZINC001360095805 1064970582 /nfs/dbraw/zinc/97/05/82/1064970582.db2.gz PQSIZFVULGHNRS-UHFFFAOYSA-N 1 0 459.610 4.814 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2CCC(C)(F)F)CC1 ZINC001360095816 1064970790 /nfs/dbraw/zinc/97/07/90/1064970790.db2.gz PWLGMHUIZBCCAU-UHFFFAOYSA-N 1 0 453.553 4.598 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001360097295 1064973903 /nfs/dbraw/zinc/97/39/03/1064973903.db2.gz CFTDDLPGKKLURI-UHFFFAOYSA-N 1 0 487.092 4.558 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2ccsc2)CC1 ZINC001360097388 1064974538 /nfs/dbraw/zinc/97/45/38/1064974538.db2.gz FYZMWWSWGYOPIK-UHFFFAOYSA-N 1 0 473.090 4.713 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001360097506 1064974823 /nfs/dbraw/zinc/97/48/23/1064974823.db2.gz JKXQNUOHOSYYAP-FQEVSTJZSA-N 1 0 485.474 4.835 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001360097391 1064974903 /nfs/dbraw/zinc/97/49/03/1064974903.db2.gz GCRMENSYEZPWBP-DYESRHJHSA-N 1 0 494.453 4.582 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(OCc3cccnc3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435750877 1064975311 /nfs/dbraw/zinc/97/53/11/1064975311.db2.gz UFCCMEVFOIVTKD-YKSBVNFPSA-N 1 0 453.945 4.876 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360097608 1064975341 /nfs/dbraw/zinc/97/53/41/1064975341.db2.gz NFFGHFYOTJZOGH-QGZVFWFLSA-N 1 0 457.516 4.758 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001360097570 1064975366 /nfs/dbraw/zinc/97/53/66/1064975366.db2.gz LVBMPGPCSSCPQH-KRWDZBQOSA-N 1 0 476.456 4.710 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC(F)F ZINC001360097612 1064975392 /nfs/dbraw/zinc/97/53/92/1064975392.db2.gz NKYPUTRGHKFCBL-UHFFFAOYSA-N 1 0 462.358 4.668 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ccc(Cl)s1 ZINC001360097712 1064976593 /nfs/dbraw/zinc/97/65/93/1064976593.db2.gz QVMAGZNRAQVJJG-UHFFFAOYSA-N 1 0 476.046 4.798 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOC(C)(C)C ZINC001360097913 1064976633 /nfs/dbraw/zinc/97/66/33/1064976633.db2.gz UZISKZUNPVAADQ-UHFFFAOYSA-N 1 0 484.458 4.828 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360097700 1064976669 /nfs/dbraw/zinc/97/66/69/1064976669.db2.gz QMONSAWKUPXBMV-MRXNPFEDSA-N 1 0 454.446 4.986 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001360097795 1064976684 /nfs/dbraw/zinc/97/66/84/1064976684.db2.gz RRZGENFHWAFSQU-UHFFFAOYSA-N 1 0 486.045 4.676 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001360097963 1064977350 /nfs/dbraw/zinc/97/73/50/1064977350.db2.gz WNYRVWDUHUDHIS-DHIUTWEWSA-N 1 0 453.675 4.836 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001360098262 1064978061 /nfs/dbraw/zinc/97/80/61/1064978061.db2.gz MKSDRJOOCZDPMR-HXUWFJFHSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccn2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001360098498 1064978244 /nfs/dbraw/zinc/97/82/44/1064978244.db2.gz UZCBFAHGILJLKA-NRFANRHFSA-N 1 0 489.437 4.980 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001360099820 1064978693 /nfs/dbraw/zinc/97/86/93/1064978693.db2.gz QGLIKYLTRCLLQM-OAQYLSRUSA-N 1 0 453.345 4.792 20 0 JJADRO CC(C)n1nc(-c2nnc(N(C)CC3CCCC3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001360099659 1064978789 /nfs/dbraw/zinc/97/87/89/1064978789.db2.gz AORLSQBFGWPLID-UHFFFAOYSA-N 1 0 479.673 4.593 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(C2CCC2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001360100100 1064979405 /nfs/dbraw/zinc/97/94/05/1064979405.db2.gz HEIIMVGFZBOCSL-FQEVSTJZSA-N 1 0 498.663 4.747 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCN(Cc2cccc(F)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC001435759537 1064979870 /nfs/dbraw/zinc/97/98/70/1064979870.db2.gz WPZJLRXHWRGMCZ-QFIPXVFZSA-N 1 0 451.508 4.572 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001360101225 1064980638 /nfs/dbraw/zinc/98/06/38/1064980638.db2.gz ITPSOWOARRWJFP-PKTZIBPZSA-N 1 0 474.093 4.896 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCC2(Cc3ccccc3C2=O)CC1 ZINC001360101346 1064980873 /nfs/dbraw/zinc/98/08/73/1064980873.db2.gz LRSWFXYLGOQLDH-UHFFFAOYSA-N 1 0 451.659 4.623 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360101667 1064981829 /nfs/dbraw/zinc/98/18/29/1064981829.db2.gz WTKLSROWYFMZDY-JOCHJYFZSA-N 1 0 466.674 4.864 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001360101626 1064981913 /nfs/dbraw/zinc/98/19/13/1064981913.db2.gz VHDFGJIKXZDZSY-OAQYLSRUSA-N 1 0 455.647 4.869 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001360103192 1064982578 /nfs/dbraw/zinc/98/25/78/1064982578.db2.gz BPBIMFSLXIJPMG-LJQANCHMSA-N 1 0 488.105 4.682 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 ZINC001360103338 1064983065 /nfs/dbraw/zinc/98/30/65/1064983065.db2.gz IFDXDENCFOBQMM-UHFFFAOYSA-N 1 0 452.068 4.573 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccccc2C1 ZINC001360103241 1064983171 /nfs/dbraw/zinc/98/31/71/1064983171.db2.gz DEUNXIJCAIXZLK-QFIPXVFZSA-N 1 0 468.646 4.601 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1ccco1 ZINC001360103498 1064983386 /nfs/dbraw/zinc/98/33/86/1064983386.db2.gz NQQKORCAIVCRLP-QHAWAJNXSA-N 1 0 486.661 4.714 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001360103935 1064984225 /nfs/dbraw/zinc/98/42/25/1064984225.db2.gz DPUFMZZVJHZHBL-UHFFFAOYSA-N 1 0 471.856 4.727 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCc2sccc2C1 ZINC001360104264 1064985806 /nfs/dbraw/zinc/98/58/06/1064985806.db2.gz OPMPDGKFDJSZOC-UHFFFAOYSA-N 1 0 460.445 4.672 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1Cc1cccs1 ZINC001360104554 1064985919 /nfs/dbraw/zinc/98/59/19/1064985919.db2.gz TXNSKMIOGMMYFY-SFHVURJKSA-N 1 0 491.503 4.659 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CCCOC1 ZINC001360104577 1064985998 /nfs/dbraw/zinc/98/59/98/1064985998.db2.gz ULMVMCABTUHIOT-INIZCTEOSA-N 1 0 484.870 4.564 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCOC(C)(C)C1 ZINC001360106553 1064987759 /nfs/dbraw/zinc/98/77/59/1064987759.db2.gz IDJCBXCGOTVBLM-UHFFFAOYSA-N 1 0 457.619 4.768 20 0 JJADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cnc(Cl)c3ccccc23)CC1 ZINC001435782328 1064989485 /nfs/dbraw/zinc/98/94/85/1064989485.db2.gz FZSWFUGSNWVUMW-UHFFFAOYSA-N 1 0 459.775 4.655 20 0 JJADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC1 ZINC001435782709 1064989600 /nfs/dbraw/zinc/98/96/00/1064989600.db2.gz GPRFTSOBLUOYGN-ZWKOTPCHSA-N 1 0 480.353 4.545 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360107041 1064989769 /nfs/dbraw/zinc/98/97/69/1064989769.db2.gz ZYRGSAOQLGUFAY-SFHVURJKSA-N 1 0 496.469 4.971 20 0 JJADRO C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC001435783982 1064990904 /nfs/dbraw/zinc/99/09/04/1064990904.db2.gz SFTJBEGKLVAJMB-OAHLLOKOSA-N 1 0 450.808 4.672 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001360109344 1064990908 /nfs/dbraw/zinc/99/09/08/1064990908.db2.gz BGZXNJFNAMKQEN-QFIPXVFZSA-N 1 0 461.054 4.594 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001360110342 1064991474 /nfs/dbraw/zinc/99/14/74/1064991474.db2.gz OFEPPQBCZRFUBI-HXUWFJFHSA-N 1 0 452.018 4.577 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360116815 1065002487 /nfs/dbraw/zinc/00/24/87/1065002487.db2.gz RIRAKZJLDLIJLZ-UGKGYDQZSA-N 1 0 457.619 4.701 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C[NH+](C)C ZINC001360119088 1065006034 /nfs/dbraw/zinc/00/60/34/1065006034.db2.gz WMRXQGQOXLNVBE-UHFFFAOYSA-N 1 0 477.632 4.659 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)C[NH+](C)C ZINC001360119287 1065006516 /nfs/dbraw/zinc/00/65/16/1065006516.db2.gz ZZMXKJNUSGNDML-UHFFFAOYSA-N 1 0 461.614 4.931 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360123083 1065013305 /nfs/dbraw/zinc/01/33/05/1065013305.db2.gz BWPZXWMQLAMFKU-UHFFFAOYSA-N 1 0 452.672 4.862 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@@H]1CCCO1)C(C)C ZINC001360123364 1065014398 /nfs/dbraw/zinc/01/43/98/1065014398.db2.gz GCGFKSLTWMYYKK-SFTDATJTSA-N 1 0 493.494 4.692 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1)C(C)C ZINC001360125345 1065017819 /nfs/dbraw/zinc/01/78/19/1065017819.db2.gz HFEMEYZQRKJKFC-XMMPIXPASA-N 1 0 457.638 4.754 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C(C)C ZINC001360125823 1065018856 /nfs/dbraw/zinc/01/88/56/1065018856.db2.gz WKMJRVBLYALPGM-JOCHJYFZSA-N 1 0 476.710 4.890 20 0 JJADRO CC(C)[NH+](CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCOCC1)C(C)C ZINC001360126121 1065019107 /nfs/dbraw/zinc/01/91/07/1065019107.db2.gz HWPDGTHEZNIMOC-UHFFFAOYSA-N 1 0 484.472 4.900 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccc(F)cc2)nnc1N1CCOCC2(CCC2)C1)C(C)C ZINC001360126152 1065019178 /nfs/dbraw/zinc/01/91/78/1065019178.db2.gz ITFLFVOHWXXRES-UHFFFAOYSA-N 1 0 457.638 4.524 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001545893697 1065019394 /nfs/dbraw/zinc/01/93/94/1065019394.db2.gz FVHUBJKHNGEOSY-PKOBYXMFSA-N 1 0 494.656 4.577 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccco2)C1)C(C)C ZINC001360126420 1065020289 /nfs/dbraw/zinc/02/02/89/1065020289.db2.gz QHINDUFPQPPZIQ-XMMPIXPASA-N 1 0 469.605 4.688 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(F)(F)F)C(C)C ZINC001360126729 1065020643 /nfs/dbraw/zinc/02/06/43/1065020643.db2.gz WTFZIJDHQBIDKU-SFHVURJKSA-N 1 0 490.615 4.858 20 0 JJADRO CC(C)[NH+](CCCn1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C)C(C)C ZINC001360127017 1065021297 /nfs/dbraw/zinc/02/12/97/1065021297.db2.gz ZURIHYKZYAOQQA-UHFFFAOYSA-N 1 0 489.108 4.700 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001360128413 1065022549 /nfs/dbraw/zinc/02/25/49/1065022549.db2.gz IDWRPQQHLRLMFO-NRFANRHFSA-N 1 0 491.080 4.821 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCCOC1)C(C)C ZINC001360128394 1065022580 /nfs/dbraw/zinc/02/25/80/1065022580.db2.gz HQOIKOBPWPAPIS-IBGZPJMESA-N 1 0 478.479 4.689 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Br)c2)nnc1N1CCC(CCCO)CC1)C(C)C ZINC001360128456 1065022651 /nfs/dbraw/zinc/02/26/51/1065022651.db2.gz JENNXKQHQHUQBQ-UHFFFAOYSA-N 1 0 492.506 4.815 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)c2ccccc2)CC1)C(C)C ZINC001360129072 1065024378 /nfs/dbraw/zinc/02/43/78/1065024378.db2.gz NADZPTCHOMJUQD-UHFFFAOYSA-N 1 0 460.626 4.558 20 0 JJADRO CCCN(C(=O)c1nc(C(C)C)ncc1Br)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360129092 1065024444 /nfs/dbraw/zinc/02/44/44/1065024444.db2.gz FLFYCTXXNXMBPJ-IBGZPJMESA-N 1 0 459.432 4.879 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2Cl)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)C(C)C ZINC001360129361 1065024824 /nfs/dbraw/zinc/02/48/24/1065024824.db2.gz VISCGLMVWKRJGS-OAQYLSRUSA-N 1 0 490.092 4.739 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(C)(C)C)C(C)C ZINC001360129682 1065025303 /nfs/dbraw/zinc/02/53/03/1065025303.db2.gz YVWMAEKASBWBRW-UHFFFAOYSA-N 1 0 453.473 4.647 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)C(C)C ZINC001360130025 1065025815 /nfs/dbraw/zinc/02/58/15/1065025815.db2.gz ZUTKOVQHDNKHRE-UHFFFAOYSA-N 1 0 499.704 4.542 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C(C)C ZINC001360129794 1065025936 /nfs/dbraw/zinc/02/59/36/1065025936.db2.gz VMCKJFGVPHDSEJ-QHCPKHFHSA-N 1 0 487.023 4.829 20 0 JJADRO CCOC(=O)C1CCC(CC(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)CC1 ZINC001435854741 1065026590 /nfs/dbraw/zinc/02/65/90/1065026590.db2.gz HSEGZBXVVHGTQY-QPFKGPCDSA-N 1 0 450.570 4.756 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1)C(C)C ZINC001360131520 1065026644 /nfs/dbraw/zinc/02/66/44/1065026644.db2.gz ASRALJUKPNXRPE-REWPJTCUSA-N 1 0 476.065 4.522 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C(C)C ZINC001360131627 1065026799 /nfs/dbraw/zinc/02/67/99/1065026799.db2.gz BPWNDQQCOAIROI-PMACEKPBSA-N 1 0 497.610 4.695 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)CC1)C(C)C ZINC001360132336 1065027155 /nfs/dbraw/zinc/02/71/55/1065027155.db2.gz INDLHEXSNNBIHQ-UHFFFAOYSA-N 1 0 456.654 4.516 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C ZINC001360132274 1065027256 /nfs/dbraw/zinc/02/72/56/1065027256.db2.gz IBRHSHCPMHPFGM-UHFFFAOYSA-N 1 0 492.512 4.704 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001360132877 1065027582 /nfs/dbraw/zinc/02/75/82/1065027582.db2.gz YKLXGWBKLHAMJC-DNQXCXABSA-N 1 0 457.659 4.939 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1)C(C)C ZINC001360132789 1065027633 /nfs/dbraw/zinc/02/76/33/1065027633.db2.gz MEBGBXJAARZJND-SDHSZQHLSA-N 1 0 469.674 4.505 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCC1)C(C)C ZINC001360133244 1065028341 /nfs/dbraw/zinc/02/83/41/1065028341.db2.gz QFGPHDQRPRTVKH-JOCHJYFZSA-N 1 0 476.710 4.748 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC001360133627 1065029259 /nfs/dbraw/zinc/02/92/59/1065029259.db2.gz WHUAJAFWTMVGAB-IBGZPJMESA-N 1 0 455.544 4.906 20 0 JJADRO CC(C)[NH+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)C(C)C ZINC001360134019 1065029617 /nfs/dbraw/zinc/02/96/17/1065029617.db2.gz BRXFWXQWUREQGW-PKTZIBPZSA-N 1 0 476.065 4.777 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1)C(C)C ZINC001360134031 1065029921 /nfs/dbraw/zinc/02/99/21/1065029921.db2.gz CBQZGXAQXHJZCT-UHFFFAOYSA-N 1 0 494.728 4.871 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)C(C)C ZINC001360134418 1065030655 /nfs/dbraw/zinc/03/06/55/1065030655.db2.gz KXASWFVUNDZFNU-XMMPIXPASA-N 1 0 499.679 4.669 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Cl)c(F)c1)C(C)C ZINC001360134733 1065031102 /nfs/dbraw/zinc/03/11/02/1065031102.db2.gz NSCIFDGAMQCZEL-UHFFFAOYSA-N 1 0 459.013 4.812 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001360138046 1065033681 /nfs/dbraw/zinc/03/36/81/1065033681.db2.gz ABTSAMHXTPOLHH-KRWDZBQOSA-N 1 0 476.456 4.742 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CC=CCC2)C1 ZINC001360139149 1065035478 /nfs/dbraw/zinc/03/54/78/1065035478.db2.gz NWJJQLHZDFBAHZ-PKTZIBPZSA-N 1 0 499.103 4.774 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCOC(C)(C)C)C1 ZINC001360139647 1065036153 /nfs/dbraw/zinc/03/61/53/1065036153.db2.gz SMCKJNYNXMISJP-HXUWFJFHSA-N 1 0 452.647 4.798 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)CCC(F)F)C1 ZINC001360139568 1065036242 /nfs/dbraw/zinc/03/62/42/1065036242.db2.gz RMUWZGVRDWSJDQ-CQSZACIVSA-N 1 0 476.435 4.981 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001360140184 1065036919 /nfs/dbraw/zinc/03/69/19/1065036919.db2.gz YXZDCODROHLALQ-FQEVSTJZSA-N 1 0 472.584 4.642 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@@H]2C)C1 ZINC001360140180 1065037028 /nfs/dbraw/zinc/03/70/28/1065037028.db2.gz YQDQSARLRUAUIE-IRXDYDNUSA-N 1 0 452.430 4.597 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001360140702 1065038229 /nfs/dbraw/zinc/03/82/29/1065038229.db2.gz IZOJLGYBKPUWIG-CTNGQTDRSA-N 1 0 460.066 4.646 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CCCc3ccccc3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001360140606 1065038478 /nfs/dbraw/zinc/03/84/78/1065038478.db2.gz HKWXOHNVPPEESU-JOCHJYFZSA-N 1 0 484.092 4.597 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360140715 1065038762 /nfs/dbraw/zinc/03/87/62/1065038762.db2.gz JEVYVUJOTJILGO-IFMALSPDSA-N 1 0 450.606 4.721 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360140842 1065038897 /nfs/dbraw/zinc/03/88/97/1065038897.db2.gz JPFNLLLLAADMSJ-RBBKRZOGSA-N 1 0 477.600 4.878 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)C1 ZINC001360141095 1065039801 /nfs/dbraw/zinc/03/98/01/1065039801.db2.gz MEMZBOKDFOYAPH-SFHVURJKSA-N 1 0 465.564 4.598 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001360141735 1065041070 /nfs/dbraw/zinc/04/10/70/1065041070.db2.gz RRLBSJIEIFIBAT-GGAORHGYSA-N 1 0 469.674 4.500 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360142150 1065041591 /nfs/dbraw/zinc/04/15/91/1065041591.db2.gz UKLVHZKHSMCXTJ-FGZHOGPDSA-N 1 0 459.704 4.835 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(F)ccc3F)CC2)C1 ZINC001360142512 1065043035 /nfs/dbraw/zinc/04/30/35/1065043035.db2.gz XYZOVUXEXJKUPB-FQEVSTJZSA-N 1 0 474.644 4.592 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360143608 1065044352 /nfs/dbraw/zinc/04/43/52/1065044352.db2.gz JSTUBUJYCCESKL-QGZVFWFLSA-N 1 0 495.043 4.571 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCc2ccccc2)CC1 ZINC001360144049 1065045185 /nfs/dbraw/zinc/04/51/85/1065045185.db2.gz SGKLAUUTTSQSSI-UHFFFAOYSA-N 1 0 485.474 4.979 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001360144000 1065045504 /nfs/dbraw/zinc/04/55/04/1065045504.db2.gz QTJAITRPEKAAJO-SBUREZEXSA-N 1 0 466.457 4.724 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN(C)CC(F)(F)F)CC1 ZINC001360144206 1065046169 /nfs/dbraw/zinc/04/61/69/1065046169.db2.gz WVQNEJSVKXQGJK-UHFFFAOYSA-N 1 0 490.977 4.542 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2Cc2ccncc2Cl)CC1 ZINC001360144511 1065046954 /nfs/dbraw/zinc/04/69/54/1065046954.db2.gz LLFLACVJYZTLQT-UHFFFAOYSA-N 1 0 489.849 4.725 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001360147113 1065049354 /nfs/dbraw/zinc/04/93/54/1065049354.db2.gz IOWBOLZHFFKOER-DENIHFKCSA-N 1 0 488.746 4.920 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cc(F)cc(F)c2)CC1 ZINC001360147500 1065050267 /nfs/dbraw/zinc/05/02/67/1065050267.db2.gz YKNABXTWBXILND-DHIUTWEWSA-N 1 0 475.628 4.638 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccoc2)CC1 ZINC001360147412 1065050351 /nfs/dbraw/zinc/05/03/51/1065050351.db2.gz UWANDOFLWBIAAV-UHFFFAOYSA-N 1 0 464.397 4.726 20 0 JJADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1(Cc2ccccc2Br)CC1 ZINC001360147977 1065050591 /nfs/dbraw/zinc/05/05/91/1065050591.db2.gz NXKULNLTZWKQBS-UHFFFAOYSA-N 1 0 451.474 4.640 20 0 JJADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360148077 1065050659 /nfs/dbraw/zinc/05/06/59/1065050659.db2.gz QHDSAFWWMLTVTA-MRXNPFEDSA-N 1 0 457.503 4.798 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cccnc2OCC(F)(F)F)CC1 ZINC001360149178 1065051631 /nfs/dbraw/zinc/05/16/31/1065051631.db2.gz DVHYFSZUJOLGBM-UHFFFAOYSA-N 1 0 494.949 4.513 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCC2CCOCC2)CC1 ZINC001360149340 1065052196 /nfs/dbraw/zinc/05/21/96/1065052196.db2.gz LBDRAMCJBOWIGR-UHFFFAOYSA-N 1 0 494.453 4.584 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOC2CCCCCC2)CC1 ZINC001360149359 1065052630 /nfs/dbraw/zinc/05/26/30/1065052630.db2.gz LRRWOCUVYDZNQF-UHFFFAOYSA-N 1 0 490.490 4.977 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001360149626 1065052990 /nfs/dbraw/zinc/05/29/90/1065052990.db2.gz WXSBLMLEPGCPKJ-UHFFFAOYSA-N 1 0 480.701 4.564 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCSC(F)(F)F)CC1 ZINC001360149479 1065053362 /nfs/dbraw/zinc/05/33/62/1065053362.db2.gz QLQAQLAAOZCYAT-UHFFFAOYSA-N 1 0 451.921 4.521 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(C)CCCS2)CC1 ZINC001360150360 1065053699 /nfs/dbraw/zinc/05/36/99/1065053699.db2.gz ZZCYJVQLXZDVOO-OAQYLSRUSA-N 1 0 464.477 4.524 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCCCC(F)(F)C3)CC2)CC1 ZINC001360156227 1065057984 /nfs/dbraw/zinc/05/79/84/1065057984.db2.gz VDXOVXXPUOEMHS-OAQYLSRUSA-N 1 0 480.692 4.786 20 0 JJADRO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001360169333 1065063628 /nfs/dbraw/zinc/06/36/28/1065063628.db2.gz AROXXXRNKMPTQR-QGZVFWFLSA-N 1 0 489.089 4.897 20 0 JJADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)[NH+](C)C ZINC001435923297 1065065809 /nfs/dbraw/zinc/06/58/09/1065065809.db2.gz VULOLWNBYGPSFR-RBTNQOKQSA-N 1 0 456.590 4.731 20 0 JJADRO C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435950508 1065078085 /nfs/dbraw/zinc/07/80/85/1065078085.db2.gz XVLXWOAXNRLDDQ-MBSDFSHPSA-N 1 0 459.993 4.910 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001360203479 1065079320 /nfs/dbraw/zinc/07/93/20/1065079320.db2.gz GTMWGGFYMVHZEB-GGAORHGYSA-N 1 0 472.722 4.724 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCCCc1ccccc1 ZINC001360221714 1065086446 /nfs/dbraw/zinc/08/64/46/1065086446.db2.gz CKCATVCRTJZJQW-RUZDIDTESA-N 1 0 480.701 4.532 20 0 JJADRO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)c2)CC1 ZINC001435975759 1065088751 /nfs/dbraw/zinc/08/87/51/1065088751.db2.gz MEKZCJFKVXOQSA-DHIUTWEWSA-N 1 0 458.647 4.631 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001435995857 1065098591 /nfs/dbraw/zinc/09/85/91/1065098591.db2.gz WOBJSFZNGLNARQ-QHCPKHFHSA-N 1 0 458.444 4.936 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC001435994961 1065098824 /nfs/dbraw/zinc/09/88/24/1065098824.db2.gz NCIPJWBOXNILSH-NRFANRHFSA-N 1 0 455.400 4.521 20 0 JJADRO Cc1cc(C(F)(F)C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cnc1Cl ZINC001360256589 1065102888 /nfs/dbraw/zinc/10/28/88/1065102888.db2.gz AJKWISUDRYJBIC-UHFFFAOYSA-N 1 0 450.917 4.588 20 0 JJADRO Cc1cc(C(F)(F)C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cnc1Cl ZINC001360257717 1065103743 /nfs/dbraw/zinc/10/37/43/1065103743.db2.gz XTOLNCYNTUPTKQ-UHFFFAOYSA-N 1 0 450.917 4.588 20 0 JJADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@H+](C)C1CCCCC1 ZINC001360273674 1065114210 /nfs/dbraw/zinc/11/42/10/1065114210.db2.gz AUSAFBXWBUYXGF-UHFFFAOYSA-N 1 0 495.499 4.867 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001360283733 1065123564 /nfs/dbraw/zinc/12/35/64/1065123564.db2.gz ZMPLLAGDTRJNCY-UHFFFAOYSA-N 1 0 457.500 4.592 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001360305218 1065139979 /nfs/dbraw/zinc/13/99/79/1065139979.db2.gz KRVXQJAKPABFCM-QFIPXVFZSA-N 1 0 496.519 4.677 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)c2ccccc2)CC1 ZINC001360305463 1065140624 /nfs/dbraw/zinc/14/06/24/1065140624.db2.gz QRIYAMXHCIZGCZ-SFHVURJKSA-N 1 0 485.474 4.817 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cccs2)CC1 ZINC001360305643 1065141239 /nfs/dbraw/zinc/14/12/39/1065141239.db2.gz YMTUUJLLIAQOJR-UHFFFAOYSA-N 1 0 478.435 4.923 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001360309864 1065146362 /nfs/dbraw/zinc/14/63/62/1065146362.db2.gz PVSBBDXUZVRDGF-KOSHJBKYSA-N 1 0 478.106 4.742 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360310058 1065146404 /nfs/dbraw/zinc/14/64/04/1065146404.db2.gz XMIKVAXOFIUVLN-BKMJKUGQSA-N 1 0 483.701 4.708 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360309936 1065146464 /nfs/dbraw/zinc/14/64/64/1065146464.db2.gz SKIRDBPCBVSLJP-ACDBMABISA-N 1 0 476.065 4.681 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CCc3ccccc3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001360309939 1065146531 /nfs/dbraw/zinc/14/65/31/1065146531.db2.gz SKSQITYHQGVGMK-UHFFFAOYSA-N 1 0 478.588 4.554 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2OC(F)F)CC1 ZINC001360310035 1065146549 /nfs/dbraw/zinc/14/65/49/1065146549.db2.gz XAOSCDKPLJDGAB-IFMALSPDSA-N 1 0 491.627 4.813 20 0 JJADRO Cc1nc(CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)oc1-c1ccc(Br)cc1 ZINC001360310572 1065147727 /nfs/dbraw/zinc/14/77/27/1065147727.db2.gz GCTKTUNWDYCOHF-GOSISDBHSA-N 1 0 450.421 4.828 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC001360314192 1065149269 /nfs/dbraw/zinc/14/92/69/1065149269.db2.gz BFKGGJRQDWZKDP-KRWDZBQOSA-N 1 0 453.384 4.590 20 0 JJADRO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1nc(C(F)(F)F)cs1 ZINC001436056767 1065149375 /nfs/dbraw/zinc/14/93/75/1065149375.db2.gz SSJVUGDFWVUBAJ-PXAZEXFGSA-N 1 0 451.436 4.794 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@H](c2cccs2)[NH+](C)C)CCOC1 ZINC001360319302 1065153599 /nfs/dbraw/zinc/15/35/99/1065153599.db2.gz GHRLWRFAHZBUEJ-YDIMBITNSA-N 1 0 489.711 4.942 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3Cl)n2CC[N@H+](C)C2CCCCC2)CCOC1 ZINC001360325147 1065166309 /nfs/dbraw/zinc/16/63/09/1065166309.db2.gz YZARVXUDWQHVAT-AREMUKBSSA-N 1 0 490.092 4.873 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)CC3CCCCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001360325792 1065168197 /nfs/dbraw/zinc/16/81/97/1065168197.db2.gz MGOHTVKYVCZREX-RPLLCQBOSA-N 1 0 487.664 4.777 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3C(C)(C)C)c(OCC)c2)CC1 ZINC001436103798 1065182064 /nfs/dbraw/zinc/18/20/64/1065182064.db2.gz UNYLVXAEHHCYNA-UHFFFAOYSA-N 1 0 453.627 4.932 20 0 JJADRO CCCc1c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001436111092 1065186285 /nfs/dbraw/zinc/18/62/85/1065186285.db2.gz HPNNJPJFFSMDNS-QFIPXVFZSA-N 1 0 459.638 4.769 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CCOC1 ZINC001360345756 1065195125 /nfs/dbraw/zinc/19/51/25/1065195125.db2.gz NJVHIXKLOLKOLQ-SXWKCWPCSA-N 1 0 487.611 4.533 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CCCC(C)(C)C)CCOC1 ZINC001360348552 1065195740 /nfs/dbraw/zinc/19/57/40/1065195740.db2.gz YGOZQRZFTQKAGM-LXFBAYGMSA-N 1 0 483.701 4.856 20 0 JJADRO CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N(C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001360354475 1065203162 /nfs/dbraw/zinc/20/31/62/1065203162.db2.gz PWDSEQCYZGIHTJ-UHFFFAOYSA-N 1 0 462.642 4.733 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2oc3c(cc(Br)cc3C)c2C)[C@@H](C)C1 ZINC001360358379 1065210480 /nfs/dbraw/zinc/21/04/80/1065210480.db2.gz DVNIQGXFULMPAZ-KXBFYZLASA-N 1 0 451.405 4.679 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001360359653 1065211923 /nfs/dbraw/zinc/21/19/23/1065211923.db2.gz HKOFQEGTECGHQL-OAQYLSRUSA-N 1 0 450.631 4.961 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360362613 1065218374 /nfs/dbraw/zinc/21/83/74/1065218374.db2.gz USZRPBQNMFGIPM-UHFFFAOYSA-N 1 0 478.479 4.689 20 0 JJADRO Cc1ccc(-c2csc3ncnc(SCC(=O)NC[C@@H]4[N@H+](C)CCCC4(C)C)c23)cc1 ZINC001436155031 1065218832 /nfs/dbraw/zinc/21/88/32/1065218832.db2.gz BEQYYZNCIIALRG-IBGZPJMESA-N 1 0 454.665 4.995 20 0 JJADRO CC(C)OC1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001360366451 1065225133 /nfs/dbraw/zinc/22/51/33/1065225133.db2.gz CBXOGRPKOPTMRJ-DNQXCXABSA-N 1 0 497.728 4.735 20 0 JJADRO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC001360367350 1065226151 /nfs/dbraw/zinc/22/61/51/1065226151.db2.gz HERZQYQYALSWOD-HVCNVCAESA-N 1 0 483.701 4.507 20 0 JJADRO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001360370451 1065229495 /nfs/dbraw/zinc/22/94/95/1065229495.db2.gz LFMLCHTURZKATB-DEOSSOPVSA-N 1 0 483.701 4.747 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1ccc(F)cc1Br ZINC001436176719 1065230276 /nfs/dbraw/zinc/23/02/76/1065230276.db2.gz ODCOJOIVBKUVKG-UHFFFAOYSA-N 1 0 451.336 4.648 20 0 JJADRO CC(C)OCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360379864 1065240887 /nfs/dbraw/zinc/24/08/87/1065240887.db2.gz HKPUKMFLLUMVLM-UHFFFAOYSA-N 1 0 466.630 4.726 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC001436194860 1065242981 /nfs/dbraw/zinc/24/29/81/1065242981.db2.gz GNZAKQBVIIJTTR-UHFFFAOYSA-N 1 0 459.546 4.690 20 0 JJADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001436196009 1065243424 /nfs/dbraw/zinc/24/34/24/1065243424.db2.gz PKNYIAURJVDTPM-UHFFFAOYSA-N 1 0 455.002 4.982 20 0 JJADRO CC(C)OCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001360383344 1065245761 /nfs/dbraw/zinc/24/57/61/1065245761.db2.gz QKZBHFZPJYYYGH-UNMCSNQZSA-N 1 0 476.065 4.951 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)C3(Cc4ccccc4Br)CC3)cc2)CC1 ZINC001436204906 1065250107 /nfs/dbraw/zinc/25/01/07/1065250107.db2.gz JCAYRYSTAQXGME-UHFFFAOYSA-N 1 0 457.412 4.561 20 0 JJADRO Cc1ccc2cc(Cl)cc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@H+](C)C4)cc3)c2n1 ZINC001360387235 1065251708 /nfs/dbraw/zinc/25/17/08/1065251708.db2.gz DJRFKLJLUZADCC-OAQYLSRUSA-N 1 0 450.970 4.615 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](OCC3CC3)c3ccc(Cl)cc3)cc2)CC1 ZINC001436211489 1065254153 /nfs/dbraw/zinc/25/41/53/1065254153.db2.gz AVCWSBREQNEBIC-RUZDIDTESA-N 1 0 456.030 4.768 20 0 JJADRO CC(C)OCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001360396557 1065261124 /nfs/dbraw/zinc/26/11/24/1065261124.db2.gz KGRZQKLYHNPKKT-HXUWFJFHSA-N 1 0 476.065 4.951 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001545896229 1065263975 /nfs/dbraw/zinc/26/39/75/1065263975.db2.gz OBAYDRPJDBJLGM-QFIPXVFZSA-N 1 0 480.701 4.735 20 0 JJADRO CC(C)OCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001360406801 1065269231 /nfs/dbraw/zinc/26/92/31/1065269231.db2.gz XDPXQYPPMDDLTC-XUZZJYLKSA-N 1 0 467.683 4.845 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001360409355 1065272486 /nfs/dbraw/zinc/27/24/86/1065272486.db2.gz FMKCFFVRNLDNKJ-CTNGQTDRSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001360409754 1065273699 /nfs/dbraw/zinc/27/36/99/1065273699.db2.gz SDZSGMLHXPONJD-WOJBJXKFSA-N 1 0 490.490 4.691 20 0 JJADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccccc1OCC1CC1 ZINC001436259925 1065278749 /nfs/dbraw/zinc/27/87/49/1065278749.db2.gz ZYJQZAFYMNJCMI-INIZCTEOSA-N 1 0 458.400 4.631 20 0 JJADRO C[C@H]1CN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001436279495 1065285553 /nfs/dbraw/zinc/28/55/53/1065285553.db2.gz MXHMLULOAZNTOT-LJQANCHMSA-N 1 0 456.512 4.544 20 0 JJADRO C[C@@H]1CN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001436282089 1065286263 /nfs/dbraw/zinc/28/62/63/1065286263.db2.gz YFBXFHUYPNZWTH-NRFANRHFSA-N 1 0 451.998 4.920 20 0 JJADRO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1NC(=O)c1ccccc1F ZINC001436281617 1065286468 /nfs/dbraw/zinc/28/64/68/1065286468.db2.gz VBZNJYMVIXSHAM-HXUWFJFHSA-N 1 0 459.565 4.981 20 0 JJADRO CC(C)SCCn1c(Cc2ccccn2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360421932 1065287685 /nfs/dbraw/zinc/28/76/85/1065287685.db2.gz QBWHRVYVUSRRKZ-JOCHJYFZSA-N 1 0 470.731 4.886 20 0 JJADRO CC(C)[C@@H]1C[C@H]1n1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360425566 1065295296 /nfs/dbraw/zinc/29/52/96/1065295296.db2.gz LFTODBPVQZWBTE-FDFHNCONSA-N 1 0 474.694 4.530 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCCOC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360429369 1065303526 /nfs/dbraw/zinc/30/35/26/1065303526.db2.gz UWXLGLWDBYDKRJ-MOPGFXCFSA-N 1 0 461.601 4.912 20 0 JJADRO Cc1nc(-c2ccc(C(=O)Nc3ccc(NC(=O)NC4CC[NH+](C)CC4)cc3)s2)cs1 ZINC001360431554 1065307402 /nfs/dbraw/zinc/30/74/02/1065307402.db2.gz AKUCHYNUAIPMRT-UHFFFAOYSA-N 1 0 455.609 4.648 20 0 JJADRO C[C@H](c1cc2ccccc2o1)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCOCC[NH+](C)C ZINC001360431394 1065307573 /nfs/dbraw/zinc/30/75/73/1065307573.db2.gz IEOIGIKTWQCVKK-QGZVFWFLSA-N 1 0 468.989 4.515 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360432477 1065309820 /nfs/dbraw/zinc/30/98/20/1065309820.db2.gz KHYJSALUEGPDTF-FDDCHVKYSA-N 1 0 453.610 4.526 20 0 JJADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(COc4ccccc4)cc3)cc2)CC1 ZINC001360432606 1065310006 /nfs/dbraw/zinc/31/00/06/1065310006.db2.gz OTRJKSJGUAIBSE-UHFFFAOYSA-N 1 0 458.562 4.734 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001436432387 1065318034 /nfs/dbraw/zinc/31/80/34/1065318034.db2.gz SCNTUVRAVXKLTR-LADGPHEKSA-N 1 0 459.675 4.824 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)C(C)C ZINC001545898249 1065320257 /nfs/dbraw/zinc/32/02/57/1065320257.db2.gz QEFJKWHLCUMLQC-JOCHJYFZSA-N 1 0 474.738 4.971 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360439384 1065321567 /nfs/dbraw/zinc/32/15/67/1065321567.db2.gz IWASLXCTBVUXRN-SMWWQBHQSA-N 1 0 494.709 4.930 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360439383 1065321602 /nfs/dbraw/zinc/32/16/02/1065321602.db2.gz IWASLXCTBVUXRN-QGFSVNGOSA-N 1 0 494.709 4.930 20 0 JJADRO COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC001436464637 1065324992 /nfs/dbraw/zinc/32/49/92/1065324992.db2.gz FQCYNYXGFBSFCP-KBMIEXCESA-N 1 0 451.563 4.961 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360442573 1065328094 /nfs/dbraw/zinc/32/80/94/1065328094.db2.gz PJBGCMDOGMLAPD-DMKKYZEQSA-N 1 0 471.715 4.676 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360442575 1065328273 /nfs/dbraw/zinc/32/82/73/1065328273.db2.gz PJBGCMDOGMLAPD-JLUPYBLGSA-N 1 0 471.715 4.676 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360442963 1065328770 /nfs/dbraw/zinc/32/87/70/1065328770.db2.gz VZMATBUURKXSRP-DDZWFJFGSA-N 1 0 497.690 4.761 20 0 JJADRO C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cccn2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360443863 1065330578 /nfs/dbraw/zinc/33/05/78/1065330578.db2.gz ITHXSAVEEDMIPF-NTKDMRAZSA-N 1 0 450.631 4.697 20 0 JJADRO CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)c3ccc(C[NH+]4CCCCC4)o3)ccc21 ZINC001436505233 1065336822 /nfs/dbraw/zinc/33/68/22/1065336822.db2.gz GMHDUFBSENHNAZ-UHFFFAOYSA-N 1 0 453.583 4.883 20 0 JJADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C2CCC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360447851 1065337470 /nfs/dbraw/zinc/33/74/70/1065337470.db2.gz FIYMQWAJUQPRDP-BWKNWUBXSA-N 1 0 480.701 4.712 20 0 JJADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360448449 1065339490 /nfs/dbraw/zinc/33/94/90/1065339490.db2.gz RDIYZONPWIJSRP-IFMALSPDSA-N 1 0 496.725 4.887 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360450401 1065341203 /nfs/dbraw/zinc/34/12/03/1065341203.db2.gz LUCMWOOEICZGNZ-FGCOXFRFSA-N 1 0 496.700 4.930 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CC1)[NH+](C)C ZINC001360453925 1065349438 /nfs/dbraw/zinc/34/94/38/1065349438.db2.gz AYBXMAILQWOAFB-VZGVRVRRSA-N 1 0 457.638 4.873 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCCCC1 ZINC001360454111 1065349808 /nfs/dbraw/zinc/34/98/08/1065349808.db2.gz CYILECVWRWNRPY-MRXNPFEDSA-N 1 0 461.408 4.702 20 0 JJADRO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)[NH+](CC)CC)cc1 ZINC001436544604 1065353746 /nfs/dbraw/zinc/35/37/46/1065353746.db2.gz QVTJTERCDRPOOA-DQEYMECFSA-N 1 0 451.611 4.549 20 0 JJADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)cc1 ZINC001436550470 1065356206 /nfs/dbraw/zinc/35/62/06/1065356206.db2.gz SJRDWNBKHUBERZ-UHFFFAOYSA-N 1 0 453.480 4.910 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(CCCc2ccccc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360459631 1065361778 /nfs/dbraw/zinc/36/17/78/1065361778.db2.gz XOXRIKVFUDAMSB-CPJSRVTESA-N 1 0 453.656 4.681 20 0 JJADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC001436564212 1065365905 /nfs/dbraw/zinc/36/59/05/1065365905.db2.gz HQRCZMQWMMZGNW-HXUWFJFHSA-N 1 0 455.558 4.864 20 0 JJADRO CC(C)[NH+](CCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1)C(C)C ZINC001360466257 1065377430 /nfs/dbraw/zinc/37/74/30/1065377430.db2.gz BFVQLSLIVSYJEG-OAQYLSRUSA-N 1 0 475.751 4.715 20 0 JJADRO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001436596286 1065390648 /nfs/dbraw/zinc/39/06/48/1065390648.db2.gz CBUTYXNTQHTMKI-IBGZPJMESA-N 1 0 454.412 4.891 20 0 JJADRO CCSc1ccccc1CC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436605012 1065395973 /nfs/dbraw/zinc/39/59/73/1065395973.db2.gz LFZRVHFMNHFOKY-UHFFFAOYSA-N 1 0 458.071 4.808 20 0 JJADRO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(Br)n1 ZINC001436630596 1065407297 /nfs/dbraw/zinc/40/72/97/1065407297.db2.gz AQPKAIBFRTWOTC-FCHUYYIVSA-N 1 0 468.370 4.690 20 0 JJADRO CO[C@](C)(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1F ZINC001436630734 1065408070 /nfs/dbraw/zinc/40/80/70/1065408070.db2.gz CNPMPFDSKCTRQA-RWUBSVTLSA-N 1 0 450.529 4.611 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCC1 ZINC001436630695 1065408315 /nfs/dbraw/zinc/40/83/15/1065408315.db2.gz CCJBQGRYWQNFFR-BJKOFHAPSA-N 1 0 481.612 4.747 20 0 JJADRO COc1ccc2c(C)c(CCC(=O)N(C[C@@H](C)[NH+](C)C)c3c(C)cccc3C)c(=O)oc2c1 ZINC001436637567 1065410572 /nfs/dbraw/zinc/41/05/72/1065410572.db2.gz LREMOLXGLCDXEA-LJQANCHMSA-N 1 0 450.579 4.643 20 0 JJADRO C[C@H]1[C@@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C ZINC001436646994 1065415662 /nfs/dbraw/zinc/41/56/62/1065415662.db2.gz IXSDLTUHGTYNQD-RXVVDRJESA-N 1 0 450.023 4.804 20 0 JJADRO CC(C)(C)OC(=O)NCC1(CC(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CC1 ZINC001436647505 1065416599 /nfs/dbraw/zinc/41/65/99/1065416599.db2.gz OVCIPMPKJJFPEN-UHFFFAOYSA-N 1 0 450.023 4.854 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360500752 1065423172 /nfs/dbraw/zinc/42/31/72/1065423172.db2.gz OITLLSMMTKMHMC-FQEVSTJZSA-N 1 0 471.646 4.857 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(Cc2ccncc2)n1CC1([NH+](C)C)CCCCC1 ZINC001360504505 1065435988 /nfs/dbraw/zinc/43/59/88/1065435988.db2.gz WCMUMDZWCTYBST-JOCHJYFZSA-N 1 0 476.669 4.692 20 0 JJADRO C[C@@H](CCn1c(-c2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360504840 1065437707 /nfs/dbraw/zinc/43/77/07/1065437707.db2.gz CNAHKYHMXGMSCI-YADARESESA-N 1 0 479.591 4.739 20 0 JJADRO C[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360504960 1065438318 /nfs/dbraw/zinc/43/83/18/1065438318.db2.gz FSGSBBVVVSGSKA-GGAORHGYSA-N 1 0 489.668 4.708 20 0 JJADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360505285 1065439914 /nfs/dbraw/zinc/43/99/14/1065439914.db2.gz LFQZADDMZRKLOT-VXKWHMMOSA-N 1 0 462.642 4.768 20 0 JJADRO C[C@@H](CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC(C)(C)C1)[NH+]1CCCCC1 ZINC001360505297 1065439981 /nfs/dbraw/zinc/43/99/81/1065439981.db2.gz LORZQKAWHBECPI-FQEVSTJZSA-N 1 0 487.092 4.752 20 0 JJADRO C[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC001360505488 1065440696 /nfs/dbraw/zinc/44/06/96/1065440696.db2.gz PFXHGNLVAYPODR-QZTJIDSGSA-N 1 0 471.447 4.935 20 0 JJADRO C[C@H](CCn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl)[NH+]1CCCCC1 ZINC001360505492 1065441557 /nfs/dbraw/zinc/44/15/57/1065441557.db2.gz PHWHDWKJSQZXKF-HXUWFJFHSA-N 1 0 469.033 4.773 20 0 JJADRO C[C@H](CCn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1)[NH+]1CCCCC1 ZINC001360505697 1065442371 /nfs/dbraw/zinc/44/23/71/1065442371.db2.gz SOESXVKMUVTWSE-VZIRFWHOSA-N 1 0 480.682 4.539 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1)[NH+]1CCCCC1 ZINC001360509480 1065449589 /nfs/dbraw/zinc/44/95/89/1065449589.db2.gz TYGNBNNRDWGEBF-ROUUACIJSA-N 1 0 496.519 4.897 20 0 JJADRO C[C@@H](CCn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509417 1065449780 /nfs/dbraw/zinc/44/97/80/1065449780.db2.gz RQNNSLBPIHYQJP-URXFXBBRSA-N 1 0 496.700 4.950 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C(=C/c1ccc(OC)cc1)c1cccs1 ZINC001436843169 1065450276 /nfs/dbraw/zinc/45/02/76/1065450276.db2.gz GTHISDQZRYWNEP-CKLPJJMUSA-N 1 0 476.642 4.951 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC001436841628 1065450403 /nfs/dbraw/zinc/45/04/03/1065450403.db2.gz BFLDXWZPFPMPCA-ZEQKJWHPSA-N 1 0 460.622 4.571 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC001360509781 1065450530 /nfs/dbraw/zinc/45/05/30/1065450530.db2.gz XVJQMFLFWDUPIT-ICSRJNTNSA-N 1 0 465.564 4.702 20 0 JJADRO C[C@@H](CCn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509673 1065450550 /nfs/dbraw/zinc/45/05/50/1065450550.db2.gz WNJSITUJEVJWFM-REWPJTCUSA-N 1 0 482.673 4.560 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC001360509783 1065450714 /nfs/dbraw/zinc/45/07/14/1065450714.db2.gz XVJQMFLFWDUPIT-UYAOXDASSA-N 1 0 465.564 4.702 20 0 JJADRO C[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCC(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001360509996 1065451466 /nfs/dbraw/zinc/45/14/66/1065451466.db2.gz BUUOOINHKRCWHW-FQEVSTJZSA-N 1 0 486.586 4.953 20 0 JJADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001436843918 1065451550 /nfs/dbraw/zinc/45/15/50/1065451550.db2.gz ZCRWJUJBNBXNOR-UHFFFAOYSA-N 1 0 451.014 4.701 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC001436848474 1065452476 /nfs/dbraw/zinc/45/24/76/1065452476.db2.gz UHHUGQOJVAWYSF-XNMGPUDCSA-N 1 0 471.601 4.514 20 0 JJADRO C[C@H](CCn1c(N2CCC(OC[C@H]3CCOC3)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360510227 1065452456 /nfs/dbraw/zinc/45/24/56/1065452456.db2.gz GQPPPDUZVFJGDQ-VWNXMTODSA-N 1 0 483.701 4.508 20 0 JJADRO C[C@H](CCn1c(Cc2ccncc2)nnc1N1CCC(OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360510166 1065452523 /nfs/dbraw/zinc/45/25/23/1065452523.db2.gz FMEZLLZDRWDJEB-HSZRJFAPSA-N 1 0 490.696 4.958 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)[NH+]1CCCCC1 ZINC001360510344 1065453432 /nfs/dbraw/zinc/45/34/32/1065453432.db2.gz IQMBEULSRBBLMB-WMZHIEFXSA-N 1 0 475.628 4.987 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)[NH+]1CCCCC1 ZINC001360510342 1065453467 /nfs/dbraw/zinc/45/34/67/1065453467.db2.gz IQMBEULSRBBLMB-AUSIDOKSSA-N 1 0 475.628 4.987 20 0 JJADRO C[C@@H](CCn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC001360510241 1065453524 /nfs/dbraw/zinc/45/35/24/1065453524.db2.gz GTABPNCVZDOSPE-SFTDATJTSA-N 1 0 450.606 4.865 20 0 JJADRO C[C@@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1)[NH+]1CCCCC1 ZINC001360510405 1065454324 /nfs/dbraw/zinc/45/43/24/1065454324.db2.gz JXTLTFTVCHCFSU-NZQKXSOJSA-N 1 0 460.066 4.792 20 0 JJADRO C[C@@H](CCn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001360510610 1065454627 /nfs/dbraw/zinc/45/46/27/1065454627.db2.gz OIPHSBFZEJSYFA-NRFANRHFSA-N 1 0 492.634 4.606 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCSC2(CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC001360511147 1065455505 /nfs/dbraw/zinc/45/55/05/1065455505.db2.gz UFUQXQWTTAITJC-QFIPXVFZSA-N 1 0 485.742 4.880 20 0 JJADRO C[C@@H](CCn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CCOCC1)[NH+]1CCCCC1 ZINC001360511134 1065455713 /nfs/dbraw/zinc/45/57/13/1065455713.db2.gz UAWGCVZFPGOPAQ-FQEVSTJZSA-N 1 0 476.065 4.638 20 0 JJADRO C[C@@H](CCn1c(COc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCCCC1 ZINC001360511364 1065456438 /nfs/dbraw/zinc/45/64/38/1065456438.db2.gz WCHNJFWIHHRQKY-IBGZPJMESA-N 1 0 487.023 4.946 20 0 JJADRO C[C@H](CCn1c(Cc2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCCCC1 ZINC001360511366 1065456548 /nfs/dbraw/zinc/45/65/48/1065456548.db2.gz WCVYSLPYBFZPRC-GOSISDBHSA-N 1 0 472.559 4.582 20 0 JJADRO C[C@H](CCn1c(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511535 1065457339 /nfs/dbraw/zinc/45/73/39/1065457339.db2.gz XSCWLIBFTSQNNE-NHCUHLMSSA-N 1 0 482.673 4.994 20 0 JJADRO C[C@H](CCc1ccc(I)cc1)CC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC001436919610 1065471566 /nfs/dbraw/zinc/47/15/66/1065471566.db2.gz GBTJPFLVUIVZLR-QGZVFWFLSA-N 1 0 456.412 4.583 20 0 JJADRO Cc1cc(Br)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1Br ZINC001436935309 1065475559 /nfs/dbraw/zinc/47/55/59/1065475559.db2.gz JXWOOUPYSSHWGE-UZLBHIALSA-N 1 0 478.228 4.867 20 0 JJADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cc(C2CC2)cnc1Cl ZINC001436958026 1065480217 /nfs/dbraw/zinc/48/02/17/1065480217.db2.gz CCQTUCPJXYFAOF-UHFFFAOYSA-N 1 0 451.796 4.625 20 0 JJADRO Cc1ccc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)cc1-n1cccc1 ZINC001436957751 1065480284 /nfs/dbraw/zinc/48/02/84/1065480284.db2.gz ANCRVZINEQMTDZ-UHFFFAOYSA-N 1 0 455.400 4.798 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545903621 1065485440 /nfs/dbraw/zinc/48/54/40/1065485440.db2.gz DZBSOWRNLNZDDM-JAXLGGSGSA-N 1 0 486.730 4.968 20 0 JJADRO C[C@@H](CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCC[NH+]1CCOCC1)c1nccs1 ZINC001360521023 1065494799 /nfs/dbraw/zinc/49/47/99/1065494799.db2.gz PTQYZPKAUBZTIB-KRWDZBQOSA-N 1 0 493.052 4.546 20 0 JJADRO C[C@H](CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1)c1nccs1 ZINC001360521683 1065496343 /nfs/dbraw/zinc/49/63/43/1065496343.db2.gz XXGSOYHNQUQYKI-OPAMFIHVSA-N 1 0 477.103 4.732 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)o2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545904294 1065502119 /nfs/dbraw/zinc/50/21/19/1065502119.db2.gz ROACSHWONKUHOK-SXWKCWPCSA-N 1 0 484.689 4.807 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2OC)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545904459 1065503935 /nfs/dbraw/zinc/50/39/35/1065503935.db2.gz VUNJOUWUXQAZSD-XUZZJYLKSA-N 1 0 496.700 4.667 20 0 JJADRO C[C@@H](CN(C)c1nnc(Cc2ccsc2)n1CCC[N@@H+]1CCCC[C@H]1C)c1nccs1 ZINC001360526736 1065506119 /nfs/dbraw/zinc/50/61/19/1065506119.db2.gz SCBATXKYPAZMJE-RBUKOAKNSA-N 1 0 458.701 4.891 20 0 JJADRO C[C@@H](CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)[NH+](C)C)c1nccs1 ZINC001360530240 1065510608 /nfs/dbraw/zinc/51/06/08/1065510608.db2.gz VJJQMXBSOSYKEA-OALUTQOASA-N 1 0 470.687 4.801 20 0 JJADRO CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H](C)Sc1ccccc1 ZINC001360531101 1065512135 /nfs/dbraw/zinc/51/21/35/1065512135.db2.gz MKSJZCLKTRCUQE-JOCHJYFZSA-N 1 0 470.731 4.577 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001360535073 1065516217 /nfs/dbraw/zinc/51/62/17/1065516217.db2.gz KTZGKYGQGMPFPF-OAHLLOKOSA-N 1 0 499.379 4.565 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001360535160 1065516734 /nfs/dbraw/zinc/51/67/34/1065516734.db2.gz ALURKRVGGLWZSJ-MOPGFXCFSA-N 1 0 491.080 4.632 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360535795 1065518069 /nfs/dbraw/zinc/51/80/69/1065518069.db2.gz QWKCNAIZRULRMA-KRWDZBQOSA-N 1 0 490.490 4.974 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1c1ccco1)[NH+](C)C ZINC001360536238 1065518683 /nfs/dbraw/zinc/51/86/83/1065518683.db2.gz LOFJODLYXHLISS-KSSFIOAISA-N 1 0 462.367 4.731 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](c2ccco2)C1)[NH+](C)C ZINC001360540611 1065525728 /nfs/dbraw/zinc/52/57/28/1065525728.db2.gz HNQZPDGTHDDIIM-LSDHHAIUSA-N 1 0 478.822 4.898 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1)[NH+](C)C ZINC001360541136 1065527348 /nfs/dbraw/zinc/52/73/48/1065527348.db2.gz MOBZSQYSYJPNTD-OAHLLOKOSA-N 1 0 494.858 4.577 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1c1ccco1)[NH+](C)C ZINC001360541441 1065528554 /nfs/dbraw/zinc/52/85/54/1065528554.db2.gz LPKOETFADDYDEY-KBXCAEBGSA-N 1 0 462.367 4.731 20 0 JJADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001437278213 1065529028 /nfs/dbraw/zinc/52/90/28/1065529028.db2.gz OXTCZSYWZQOFIJ-YCRPNKLZSA-N 1 0 451.792 4.651 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360541819 1065529838 /nfs/dbraw/zinc/52/98/38/1065529838.db2.gz UJJDCCOEYOECQQ-SFHVURJKSA-N 1 0 489.064 4.528 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001545906179 1065535585 /nfs/dbraw/zinc/53/55/85/1065535585.db2.gz SOAIQWTXCATKJH-RCZVLFRGSA-N 1 0 494.728 4.919 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001545906178 1065535808 /nfs/dbraw/zinc/53/58/08/1065535808.db2.gz SOAIQWTXCATKJH-DHLKQENFSA-N 1 0 494.728 4.919 20 0 JJADRO C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[NH+](C)C ZINC001360552898 1065543877 /nfs/dbraw/zinc/54/38/77/1065543877.db2.gz DKIFXCOSDYPGGA-AWEZNQCLSA-N 1 0 491.543 4.662 20 0 JJADRO C[C@H](Cn1c(C2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001360559841 1065549731 /nfs/dbraw/zinc/54/97/31/1065549731.db2.gz NSXUORLCQNAWBU-GOSISDBHSA-N 1 0 489.590 4.845 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001360563984 1065554308 /nfs/dbraw/zinc/55/43/08/1065554308.db2.gz NFKSNWKZNUGYOJ-NFBKMPQASA-N 1 0 457.638 4.672 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001360563988 1065554552 /nfs/dbraw/zinc/55/45/52/1065554552.db2.gz NFKSNWKZNUGYOJ-OFNKIYASSA-N 1 0 457.638 4.672 20 0 JJADRO CC[NH+](CC)CCN(C(=O)Cn1c(=O)sc(C)c1-c1ccccc1)c1ccc(Cl)cc1 ZINC001437467379 1065556652 /nfs/dbraw/zinc/55/66/52/1065556652.db2.gz IMWPOPVCRKRXFX-UHFFFAOYSA-N 1 0 458.027 4.914 20 0 JJADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(Br)o1)[N@H+](C)C1CC1 ZINC001360568542 1065560783 /nfs/dbraw/zinc/56/07/83/1065560783.db2.gz DWMXZJHUHANVHV-OAHLLOKOSA-N 1 0 492.849 4.997 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1)[N@H+](C)C1CC1 ZINC001360569089 1065561248 /nfs/dbraw/zinc/56/12/48/1065561248.db2.gz GGYSXRLJQSPGFG-OAQYLSRUSA-N 1 0 453.675 4.783 20 0 JJADRO CNC(=O)Oc1cccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001437502921 1065563680 /nfs/dbraw/zinc/56/36/80/1065563680.db2.gz LTWLYLTZYWTTNJ-BJKOFHAPSA-N 1 0 464.949 4.879 20 0 JJADRO CC[C@]1(C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001437551839 1065572089 /nfs/dbraw/zinc/57/20/89/1065572089.db2.gz HPVMNCXLMRLGTO-DEOSSOPVSA-N 1 0 458.628 4.866 20 0 JJADRO COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC001437553427 1065573008 /nfs/dbraw/zinc/57/30/08/1065573008.db2.gz KZZNYJVUMFORPI-CQSZACIVSA-N 1 0 455.605 4.796 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)(C)CC1)[N@H+](C)C1CC1 ZINC001360584297 1065583606 /nfs/dbraw/zinc/58/36/06/1065583606.db2.gz UYMXUEJJQVJYEK-KRWDZBQOSA-N 1 0 476.463 4.729 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001360588311 1065591569 /nfs/dbraw/zinc/59/15/69/1065591569.db2.gz UKKKXWGKNPPXFH-JOCHJYFZSA-N 1 0 464.658 4.794 20 0 JJADRO C[C@H](Cn1c(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360588355 1065592315 /nfs/dbraw/zinc/59/23/15/1065592315.db2.gz ZRIOZQPJXGOBPG-NHCUHLMSSA-N 1 0 484.689 4.542 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(OCCC[NH+](C)C)c3)s2)cc1OC ZINC001360589465 1065593982 /nfs/dbraw/zinc/59/39/82/1065593982.db2.gz FYMZZXAISIRMGX-UHFFFAOYSA-N 1 0 455.580 4.719 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001437721177 1065595643 /nfs/dbraw/zinc/59/56/43/1065595643.db2.gz BHTMSIVBWIIIHE-RPWUZVMVSA-N 1 0 457.659 4.783 20 0 JJADRO CC(C)[C@H]1CN(C(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001437721173 1065595875 /nfs/dbraw/zinc/59/58/75/1065595875.db2.gz BHTMSIVBWIIIHE-DNQXCXABSA-N 1 0 457.659 4.783 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(C1)CCC(F)(F)CC2)[NH+](C)C ZINC001360591239 1065598614 /nfs/dbraw/zinc/59/86/14/1065598614.db2.gz ZHKMFVIGJZTGKW-OALUTQOASA-N 1 0 496.647 4.706 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCOC1)C[NH+]1CCCC1 ZINC001360592265 1065600107 /nfs/dbraw/zinc/60/01/07/1065600107.db2.gz RZIYJPBBMMBNEK-IAGOWNOFSA-N 1 0 496.881 4.566 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC001360592257 1065600186 /nfs/dbraw/zinc/60/01/86/1065600186.db2.gz RXIAJODMPKAHTC-ZWKOTPCHSA-N 1 0 477.495 4.650 20 0 JJADRO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001360592497 1065600879 /nfs/dbraw/zinc/60/08/79/1065600879.db2.gz WSWNDUOIAULONX-RCZVLFRGSA-N 1 0 483.701 4.605 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC=C(Br)C1)C[NH+]1CCCC1 ZINC001360592336 1065600969 /nfs/dbraw/zinc/60/09/69/1065600969.db2.gz TWMWQFZLJFLNIQ-ROUUACIJSA-N 1 0 492.437 4.778 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ncc(Cc4c(F)cccc4F)s3)cc2)CC1 ZINC001437755645 1065602174 /nfs/dbraw/zinc/60/21/74/1065602174.db2.gz VKFOXNDZFOPQJR-UHFFFAOYSA-N 1 0 456.562 4.795 20 0 JJADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC001360593226 1065602648 /nfs/dbraw/zinc/60/26/48/1065602648.db2.gz FAXWNKYZZJCIKE-IBGZPJMESA-N 1 0 472.559 4.651 20 0 JJADRO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC001360593383 1065603284 /nfs/dbraw/zinc/60/32/84/1065603284.db2.gz GLZXHQGZJGDUJZ-WIYYLYMNSA-N 1 0 465.564 4.907 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593921 1065604188 /nfs/dbraw/zinc/60/41/88/1065604188.db2.gz KOULRZCWLQWQCO-NQIIRXRSSA-N 1 0 490.490 4.691 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360596565 1065609819 /nfs/dbraw/zinc/60/98/19/1065609819.db2.gz CDYWOKDDIMPFHB-OKZBNKHCSA-N 1 0 466.457 4.988 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)C1)C[NH+]1CCCCC1 ZINC001360596725 1065610564 /nfs/dbraw/zinc/61/05/64/1065610564.db2.gz GBTCJJZFMALIRM-MRXNPFEDSA-N 1 0 455.500 4.514 20 0 JJADRO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1)C[NH+]1CCCCC1 ZINC001360596840 1065611201 /nfs/dbraw/zinc/61/12/01/1065611201.db2.gz IGHSPBJGTGOUMC-VXKWHMMOSA-N 1 0 462.642 4.625 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360597170 1065612191 /nfs/dbraw/zinc/61/21/91/1065612191.db2.gz MJIQYZRVGDWXRD-ZWKOTPCHSA-N 1 0 496.519 4.896 20 0 JJADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(F)(F)F)C[NH+]1CCCCC1 ZINC001360597897 1065616009 /nfs/dbraw/zinc/61/60/09/1065616009.db2.gz SMNYESQKYAGLBE-HNNXBMFYSA-N 1 0 461.479 4.667 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)C[NH+]2CCCCC2)CCS1 ZINC001360598160 1065617459 /nfs/dbraw/zinc/61/74/59/1065617459.db2.gz VSAUIQPPMVVLQJ-XLIONFOSSA-N 1 0 495.535 4.736 20 0 JJADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC001360598431 1065618378 /nfs/dbraw/zinc/61/83/78/1065618378.db2.gz BCSQHNMCPFQZCO-SFTDATJTSA-N 1 0 450.606 4.722 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC(C)(C)[C@@H]1C)C[NH+]1CCCCC1 ZINC001360598486 1065618475 /nfs/dbraw/zinc/61/84/75/1065618475.db2.gz YHJGYTLJHCQHJS-ROUUACIJSA-N 1 0 464.029 4.863 20 0 JJADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C)C[NH+]1CCCCC1 ZINC001360598739 1065618983 /nfs/dbraw/zinc/61/89/83/1065618983.db2.gz DVGXKSCJHJEQOW-HXUWFJFHSA-N 1 0 462.082 4.896 20 0 JJADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CCOc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001360599181 1065619941 /nfs/dbraw/zinc/61/99/41/1065619941.db2.gz LIVVLUSPQAPVRB-LJQANCHMSA-N 1 0 457.022 4.564 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(c2ccccc2CO)CC1)C[NH+]1CCCCC1 ZINC001360599443 1065620749 /nfs/dbraw/zinc/62/07/49/1065620749.db2.gz PQSKXKRVFYUXOS-QFIPXVFZSA-N 1 0 467.702 4.865 20 0 JJADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccccn1)C[NH+]1CCCCC1 ZINC001360599814 1065621452 /nfs/dbraw/zinc/62/14/52/1065621452.db2.gz XIBUNWPAQHLLRI-FQEVSTJZSA-N 1 0 453.034 4.676 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC001360599820 1065621475 /nfs/dbraw/zinc/62/14/75/1065621475.db2.gz XJQWCNXBNOAUAG-HSZRJFAPSA-N 1 0 486.749 4.608 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360601514 1065623864 /nfs/dbraw/zinc/62/38/64/1065623864.db2.gz AQQKQRQIHARJNF-PKTZIBPZSA-N 1 0 483.701 4.892 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C)C[NH+]1CCCCC1 ZINC001360601572 1065623937 /nfs/dbraw/zinc/62/39/37/1065623937.db2.gz BVSCZIWHXXCCDW-MOPGFXCFSA-N 1 0 464.079 4.574 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001360601474 1065624066 /nfs/dbraw/zinc/62/40/66/1065624066.db2.gz AFWKXQJCAILAFR-CYFREDJKSA-N 1 0 496.121 4.792 20 0 JJADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360601854 1065625370 /nfs/dbraw/zinc/62/53/70/1065625370.db2.gz HZBABHMCJYZKNT-QUCCMNQESA-N 1 0 485.620 4.600 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360602143 1065626322 /nfs/dbraw/zinc/62/63/22/1065626322.db2.gz MWDQZDFDWVRGKS-PWRODBHTSA-N 1 0 463.736 4.651 20 0 JJADRO C[C@@H](Cn1c(N(Cc2ccccc2)C[C@H]2CCCO2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360602651 1065626953 /nfs/dbraw/zinc/62/69/53/1065626953.db2.gz QAELYHIEOVBNLC-ISKFKSNPSA-N 1 0 453.675 4.883 20 0 JJADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360603050 1065627929 /nfs/dbraw/zinc/62/79/29/1065627929.db2.gz SLROFMTYTHBCPB-VSKRKVRLSA-N 1 0 475.628 4.749 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CC(F)(F)C1)C[NH+]1CCOCC1 ZINC001360604818 1065630579 /nfs/dbraw/zinc/63/05/79/1065630579.db2.gz YQSOEUHUZIAYPF-IBGZPJMESA-N 1 0 475.628 4.692 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N(Cc1ccco1)Cc1ccccc1)C[NH+]1CCOCC1 ZINC001360606069 1065630720 /nfs/dbraw/zinc/63/07/20/1065630720.db2.gz JPWJGRTZNMTSSU-QFIPXVFZSA-N 1 0 465.642 4.635 20 0 JJADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC=C(C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001360605884 1065630796 /nfs/dbraw/zinc/63/07/96/1065630796.db2.gz HBCMIAVZOWZJCW-FQEVSTJZSA-N 1 0 472.077 4.673 20 0 JJADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC=C(C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001360605885 1065630852 /nfs/dbraw/zinc/63/08/52/1065630852.db2.gz HBCMIAVZOWZJCW-HXUWFJFHSA-N 1 0 472.077 4.673 20 0 JJADRO CCn1cc(CC(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)c2ccccc21 ZINC001438030052 1065655079 /nfs/dbraw/zinc/65/50/79/1065655079.db2.gz BKCONURJOVIGAW-HXUWFJFHSA-N 1 0 454.412 4.876 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC001438037614 1065657745 /nfs/dbraw/zinc/65/77/45/1065657745.db2.gz XQYHNKDTULPIMC-HNNXBMFYSA-N 1 0 455.755 4.530 20 0 JJADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CCO1 ZINC001438058510 1065660809 /nfs/dbraw/zinc/66/08/09/1065660809.db2.gz IPVLUIATROLJKD-DENIHFKCSA-N 1 0 451.394 4.683 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccncc2)c1 ZINC001438094018 1065669254 /nfs/dbraw/zinc/66/92/54/1065669254.db2.gz DVOFMKXEUXXFRH-CEXWTWQISA-N 1 0 477.436 4.837 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC001438094155 1065669272 /nfs/dbraw/zinc/66/92/72/1065669272.db2.gz HMEPCENXHMFJQA-MGPQQGTHSA-N 1 0 468.347 4.836 20 0 JJADRO CC(F)(F)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001360626708 1065672241 /nfs/dbraw/zinc/67/22/41/1065672241.db2.gz RWCKHNKEJHBEEX-SFHVURJKSA-N 1 0 468.390 4.818 20 0 JJADRO CC(F)(F)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001360630752 1065678918 /nfs/dbraw/zinc/67/89/18/1065678918.db2.gz WOIGLSRCQYIARK-WOJBJXKFSA-N 1 0 453.622 4.697 20 0 JJADRO CC(F)(F)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001360630519 1065679128 /nfs/dbraw/zinc/67/91/28/1065679128.db2.gz OIDJXSGTQRNISL-UHFFFAOYSA-N 1 0 456.006 4.944 20 0 JJADRO C[C@@H](N1CCN(c2nnc(-c3ccccc3)n2CCCCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001360631918 1065682289 /nfs/dbraw/zinc/68/22/89/1065682289.db2.gz DOLKNPNJJJMPMR-OAQYLSRUSA-N 1 0 478.607 4.674 20 0 JJADRO C[C@@H](N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+](C)C2CCCC2)CC1)C(F)(F)F ZINC001360633021 1065686467 /nfs/dbraw/zinc/68/64/67/1065686467.db2.gz XQFUZXCFQCJWNR-QGZVFWFLSA-N 1 0 484.998 4.546 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CCC3)n2CCCCC[NH+]2CCCC2)C1 ZINC001360636870 1065695847 /nfs/dbraw/zinc/69/58/47/1065695847.db2.gz MYWZRMVJIVWLIF-FYYLOGMGSA-N 1 0 488.721 4.941 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001360636878 1065695989 /nfs/dbraw/zinc/69/59/89/1065695989.db2.gz NCFLNJIYUZOLPL-CTNGQTDRSA-N 1 0 474.694 4.550 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360636919 1065696708 /nfs/dbraw/zinc/69/67/08/1065696708.db2.gz NQPFSTVSFLXJKB-FDFHNCONSA-N 1 0 490.737 4.970 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001360637002 1065697534 /nfs/dbraw/zinc/69/75/34/1065697534.db2.gz PGTZRAYOFGDAKU-BJLQDIEVSA-N 1 0 491.080 4.678 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001360637251 1065698937 /nfs/dbraw/zinc/69/89/37/1065698937.db2.gz SZLJNZKTVJGYAG-JTHBVZDNSA-N 1 0 488.721 4.941 20 0 JJADRO C/C(=C\C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1)c1ccccc1Cl ZINC001438254963 1065703275 /nfs/dbraw/zinc/70/32/75/1065703275.db2.gz CHJUYHMVWUCFQS-BMRADRMJSA-N 1 0 456.974 4.834 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC001438263397 1065704384 /nfs/dbraw/zinc/70/43/84/1065704384.db2.gz QRGTWFFTFDPEOC-ZYZLCCBESA-N 1 0 469.670 4.827 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360639001 1065706303 /nfs/dbraw/zinc/70/63/03/1065706303.db2.gz MCPMQDFFMLBBEM-GMAHTHKFSA-N 1 0 490.737 4.871 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)CSc2ccccc2OC)cc1 ZINC001438343649 1065713389 /nfs/dbraw/zinc/71/33/89/1065713389.db2.gz WMKINLDFJNXCAV-BJKOFHAPSA-N 1 0 462.615 4.580 20 0 JJADRO Cc1c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001438347036 1065714157 /nfs/dbraw/zinc/71/41/57/1065714157.db2.gz VMLVJKMIPVVHPI-XLIONFOSSA-N 1 0 456.512 4.697 20 0 JJADRO O=C(CN(C(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001438363251 1065717120 /nfs/dbraw/zinc/71/71/20/1065717120.db2.gz ZUOHEWDUZOFBOF-AREMUKBSSA-N 1 0 455.602 4.894 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001360644700 1065719360 /nfs/dbraw/zinc/71/93/60/1065719360.db2.gz BFSVHZKFIDRJBK-YLJYHZDGSA-N 1 0 475.563 4.587 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 ZINC001360644754 1065719610 /nfs/dbraw/zinc/71/96/10/1065719610.db2.gz CETLELRTWCLWFN-IRLDBZIGSA-N 1 0 469.674 4.695 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC=C(Br)C1)c1ccccc1 ZINC001360645114 1065720146 /nfs/dbraw/zinc/72/01/46/1065720146.db2.gz FMVVEIYCMAINPO-LJQANCHMSA-N 1 0 495.469 4.882 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1)c1ccccc1 ZINC001360645927 1065721045 /nfs/dbraw/zinc/72/10/45/1065721045.db2.gz MAPCUYKYWXPHEE-NRFANRHFSA-N 1 0 478.689 4.504 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC3CCCC3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001360647371 1065723060 /nfs/dbraw/zinc/72/30/60/1065723060.db2.gz XSINWFKGDMLMHZ-IRLDBZIGSA-N 1 0 488.721 4.625 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 ZINC001360647050 1065723087 /nfs/dbraw/zinc/72/30/87/1065723087.db2.gz VJKLCUQUHMBOEK-NHCUHLMSSA-N 1 0 496.700 4.806 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001360647034 1065723118 /nfs/dbraw/zinc/72/31/18/1065723118.db2.gz VCLCDIQGDNSCNS-SIKLNZKXSA-N 1 0 480.682 4.835 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001360647263 1065723240 /nfs/dbraw/zinc/72/32/40/1065723240.db2.gz XFUJHUWOJQVOCB-FQEVSTJZSA-N 1 0 479.648 4.566 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(N2CCC(c3ccnn3C)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001360647381 1065723251 /nfs/dbraw/zinc/72/32/51/1065723251.db2.gz XVTUNDMQZIVPAW-FQEVSTJZSA-N 1 0 463.674 4.823 20 0 JJADRO C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)C1 ZINC001360657828 1065727442 /nfs/dbraw/zinc/72/74/42/1065727442.db2.gz DFGKHKMJASCCMK-SDUSCBPUSA-N 1 0 457.659 4.947 20 0 JJADRO C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)C1 ZINC001360657826 1065727701 /nfs/dbraw/zinc/72/77/01/1065727701.db2.gz DFGKHKMJASCCMK-IEZKXTBUSA-N 1 0 457.659 4.947 20 0 JJADRO CCc1nc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)nn1-c1c(Cl)cccc1Cl ZINC001438578098 1065733149 /nfs/dbraw/zinc/73/31/49/1065733149.db2.gz IZVVUGYIENMEKD-INIZCTEOSA-N 1 0 450.414 4.663 20 0 JJADRO C[C@](O)(C1CCN(c2nnc(-c3ccccc3F)n2CCCCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001360722255 1065748898 /nfs/dbraw/zinc/74/88/98/1065748898.db2.gz MSJAMHBVOHGACX-DEOSSOPVSA-N 1 0 497.581 4.880 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001360734729 1065762467 /nfs/dbraw/zinc/76/24/67/1065762467.db2.gz CRVPLJMNCZAIAZ-APWZRJJASA-N 1 0 458.393 4.699 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001360734731 1065762782 /nfs/dbraw/zinc/76/27/82/1065762782.db2.gz CRVPLJMNCZAIAZ-QFBILLFUSA-N 1 0 458.393 4.699 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+]1Cc1ccccc1 ZINC001360735393 1065763857 /nfs/dbraw/zinc/76/38/57/1065763857.db2.gz RDPPSQANBKCLLE-APWZRJJASA-N 1 0 456.384 4.644 20 0 JJADRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 ZINC001438907462 1065764456 /nfs/dbraw/zinc/76/44/56/1065764456.db2.gz BNRUMRSPJYMPEX-UHFFFAOYSA-N 1 0 450.414 4.504 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCC(F)(F)F)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001360736927 1065766710 /nfs/dbraw/zinc/76/67/10/1065766710.db2.gz AYADGDAEPKOLMI-SFHVURJKSA-N 1 0 499.553 4.591 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccco2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360739668 1065771442 /nfs/dbraw/zinc/77/14/42/1065771442.db2.gz ZPKDIWXWIXVDGU-LJQANCHMSA-N 1 0 455.578 4.909 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360739732 1065771516 /nfs/dbraw/zinc/77/15/16/1065771516.db2.gz VWVAGBQMOXVETE-LAUBAEHRSA-N 1 0 472.634 4.771 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360739733 1065771541 /nfs/dbraw/zinc/77/15/41/1065771541.db2.gz VWVAGBQMOXVETE-UTKZUKDTSA-N 1 0 472.634 4.771 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360739931 1065772681 /nfs/dbraw/zinc/77/26/81/1065772681.db2.gz ZBCHMNLCKGYRNQ-NFBKMPQASA-N 1 0 473.637 4.685 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001360741900 1065776003 /nfs/dbraw/zinc/77/60/03/1065776003.db2.gz SODCYFSEWWCFQB-WOJBJXKFSA-N 1 0 473.637 4.540 20 0 JJADRO Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1Br ZINC001439066577 1065782149 /nfs/dbraw/zinc/78/21/49/1065782149.db2.gz PFCDRYJNSVLYNH-XZOQPEGZSA-N 1 0 464.407 4.685 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@@H]1CCCCO1 ZINC001360745751 1065786352 /nfs/dbraw/zinc/78/63/52/1065786352.db2.gz PAIOFKXOQDHUGU-UNMCSNQZSA-N 1 0 473.637 4.827 20 0 JJADRO CC(C)c1ncc(Br)c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)n1 ZINC001439106875 1065787302 /nfs/dbraw/zinc/78/73/02/1065787302.db2.gz QXJVPIDVGFUWOF-UHFFFAOYSA-N 1 0 459.432 4.927 20 0 JJADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439110269 1065787442 /nfs/dbraw/zinc/78/74/42/1065787442.db2.gz JJKVRPMORHWBPY-PWAGRJGVSA-N 1 0 459.403 4.747 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)[C@@H]1c1cccs1 ZINC001360746957 1065788935 /nfs/dbraw/zinc/78/89/35/1065788935.db2.gz INBUSPGQZNHFSH-AFPVUDKHSA-N 1 0 461.672 4.817 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@](C)(O)c1ccco1 ZINC001360748763 1065790832 /nfs/dbraw/zinc/79/08/32/1065790832.db2.gz FWFRSBSCFNARRE-HRFSGMKKSA-N 1 0 499.631 4.616 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001360748764 1065791100 /nfs/dbraw/zinc/79/11/00/1065791100.db2.gz FWFRSBSCFNARRE-NFQMXDRXSA-N 1 0 499.631 4.616 20 0 JJADRO C[C@H](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCCCC1 ZINC001360749484 1065792227 /nfs/dbraw/zinc/79/22/27/1065792227.db2.gz DWIJRSFXONFWHQ-QHAWAJNXSA-N 1 0 473.637 4.825 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360749994 1065793623 /nfs/dbraw/zinc/79/36/23/1065793623.db2.gz RWZSAKZMHVTKEF-CUVVAGTFSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1Cc1cccs1)[NH+](C)C ZINC001360750267 1065794752 /nfs/dbraw/zinc/79/47/52/1065794752.db2.gz VKAKGWUSDOPDAN-BJLQDIEVSA-N 1 0 457.619 4.780 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001360750851 1065796292 /nfs/dbraw/zinc/79/62/92/1065796292.db2.gz QUOVUYSRLLNEKZ-GBESFXJTSA-N 1 0 461.651 4.762 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360751171 1065797339 /nfs/dbraw/zinc/79/73/39/1065797339.db2.gz VXTJWKZHPOJXGM-FJDVCKPCSA-N 1 0 461.601 4.862 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC1([NH+](C)C)CCC1 ZINC001360753577 1065799891 /nfs/dbraw/zinc/79/98/91/1065799891.db2.gz FSIOWVXIJMNKPX-INIZCTEOSA-N 1 0 492.455 4.579 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC1([NH+](C)C)CCC1 ZINC001360753578 1065799905 /nfs/dbraw/zinc/79/99/05/1065799905.db2.gz FSIOWVXIJMNKPX-MRXNPFEDSA-N 1 0 492.455 4.579 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1CCC[NH+]1CCCC1 ZINC001360754472 1065805043 /nfs/dbraw/zinc/80/50/43/1065805043.db2.gz VGADTFCGSKGPBL-QGZVFWFLSA-N 1 0 461.035 4.650 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1C[C@H](C1CC1)[NH+](C)C ZINC001360754463 1065805308 /nfs/dbraw/zinc/80/53/08/1065805308.db2.gz VDOIUECYRKQMGM-KBXCAEBGSA-N 1 0 459.944 4.800 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001439275507 1065809636 /nfs/dbraw/zinc/80/96/36/1065809636.db2.gz QYNJVPIPCPKXGM-WJNCPCKPSA-N 1 0 471.686 4.790 20 0 JJADRO CN(C)c1cc[nH+]c(CNC(=O)c2cccnc2SCc2cccc(Br)c2)c1 ZINC001439284579 1065811100 /nfs/dbraw/zinc/81/11/00/1065811100.db2.gz ANWIGKIOXYNTJQ-UHFFFAOYSA-N 1 0 457.397 4.527 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C)[N@H+](C)C1CC1 ZINC001360756035 1065812124 /nfs/dbraw/zinc/81/21/24/1065812124.db2.gz NHRTYFJMLRSXMW-BZSNNMDCSA-N 1 0 462.038 4.558 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cccs2)n1CC[NH+]1CCSCC1 ZINC001360756494 1065815093 /nfs/dbraw/zinc/81/50/93/1065815093.db2.gz VLTYJQNFSXKBJH-SFHVURJKSA-N 1 0 492.114 4.861 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001360757639 1065820201 /nfs/dbraw/zinc/82/02/01/1065820201.db2.gz FLGZRBRISQYNBR-BVFVYWQFSA-N 1 0 490.092 4.933 20 0 JJADRO O=C(c1cc(Cl)c(Br)cc1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001439360047 1065819990 /nfs/dbraw/zinc/81/99/90/1065819990.db2.gz SXLISXDGKQYKPI-CVEARBPZSA-N 1 0 451.767 4.836 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CO)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360758075 1065822110 /nfs/dbraw/zinc/82/21/10/1065822110.db2.gz MKMYKAAVMQYATJ-FQEVSTJZSA-N 1 0 490.092 4.935 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@@H]2CCCCO2)CC1 ZINC001360759884 1065829868 /nfs/dbraw/zinc/82/98/68/1065829868.db2.gz DCKSLGHWNSGYBG-CTNGQTDRSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC[C@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001360759908 1065829984 /nfs/dbraw/zinc/82/99/84/1065829984.db2.gz DOBAMHPNFHWGGO-MOPGFXCFSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC[C@@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001360759909 1065830066 /nfs/dbraw/zinc/83/00/66/1065830066.db2.gz DOBAMHPNFHWGGO-OALUTQOASA-N 1 0 462.038 4.561 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC2(F)CCC2)CC1 ZINC001360760609 1065833226 /nfs/dbraw/zinc/83/32/26/1065833226.db2.gz PJRNEENCJUNUJK-SFHVURJKSA-N 1 0 450.002 4.884 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC(C)(C)O ZINC001360760631 1065833269 /nfs/dbraw/zinc/83/32/69/1065833269.db2.gz QAZKYNSZUHRQTQ-LJQANCHMSA-N 1 0 476.065 4.545 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360760710 1065834098 /nfs/dbraw/zinc/83/40/98/1065834098.db2.gz ROWGSMUCONFMNS-GBESFXJTSA-N 1 0 462.038 4.560 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360760857 1065834787 /nfs/dbraw/zinc/83/47/87/1065834787.db2.gz UKUUIZWFBSSMPV-SPEDKVCISA-N 1 0 476.065 4.806 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C)C(C)C ZINC001360762694 1065840175 /nfs/dbraw/zinc/84/01/75/1065840175.db2.gz KDSOYWOWPRMKSW-NFBKMPQASA-N 1 0 497.663 4.923 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001360763620 1065844014 /nfs/dbraw/zinc/84/40/14/1065844014.db2.gz ZKXICPTVYJWQJH-HSALFYBXSA-N 1 0 476.065 4.950 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360765302 1065848926 /nfs/dbraw/zinc/84/89/26/1065848926.db2.gz OYGIJGAJAVVGBK-BDTNDASRSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001360766921 1065854638 /nfs/dbraw/zinc/85/46/38/1065854638.db2.gz GLFFUZMXJGOYDO-SFTDATJTSA-N 1 0 487.664 4.809 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001360766920 1065854658 /nfs/dbraw/zinc/85/46/58/1065854658.db2.gz GLFFUZMXJGOYDO-LEWJYISDSA-N 1 0 487.664 4.809 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001360769168 1065860605 /nfs/dbraw/zinc/86/06/05/1065860605.db2.gz FDQDBBYITXALIN-DENIHFKCSA-N 1 0 473.637 4.540 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[NH+]1CCCCCC1 ZINC001360771356 1065868154 /nfs/dbraw/zinc/86/81/54/1065868154.db2.gz ADHHGLRUYOZVKM-RTBURBONSA-N 1 0 465.564 4.915 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC[NH+]1CCCCC1 ZINC001360774731 1065874696 /nfs/dbraw/zinc/87/46/96/1065874696.db2.gz OZQRUBSCGXQOBM-FQEVSTJZSA-N 1 0 473.637 4.827 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1c(C)oc2ccccc21 ZINC001545925393 1065878256 /nfs/dbraw/zinc/87/82/56/1065878256.db2.gz KPKMKIXOHUKAQT-UHFFFAOYSA-N 1 0 494.684 4.858 20 0 JJADRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC001545927623 1065908802 /nfs/dbraw/zinc/90/88/02/1065908802.db2.gz ANOIJTGPJUJESB-RFLWCCGPSA-N 1 0 461.005 4.872 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001440137585 1065914968 /nfs/dbraw/zinc/91/49/68/1065914968.db2.gz BWUJVBQNSKXLTI-FYYLOGMGSA-N 1 0 455.599 4.703 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccccc1 ZINC001440142738 1065915970 /nfs/dbraw/zinc/91/59/70/1065915970.db2.gz QMHWKVHIMGWZMT-CYFREDJKSA-N 1 0 458.027 4.858 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(Cc3ccsc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360808768 1065922082 /nfs/dbraw/zinc/92/20/82/1065922082.db2.gz UHEKADNVIGWBRK-UHFFFAOYSA-N 1 0 453.578 4.751 20 0 JJADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001360817839 1065931006 /nfs/dbraw/zinc/93/10/06/1065931006.db2.gz YGAOGTLVSQVSFH-KRWDZBQOSA-N 1 0 496.519 4.895 20 0 JJADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001440368065 1065933086 /nfs/dbraw/zinc/93/30/86/1065933086.db2.gz DKGQPWGDWUVYOH-GOSISDBHSA-N 1 0 452.426 4.651 20 0 JJADRO CCc1c(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC001440377117 1065933989 /nfs/dbraw/zinc/93/39/89/1065933989.db2.gz YEZDAUFKRIRVGV-HSZRJFAPSA-N 1 0 452.986 4.664 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)Cc1ccc(Br)cc1Cl)[NH+]1CCCC1 ZINC001440386889 1065936743 /nfs/dbraw/zinc/93/67/43/1065936743.db2.gz KFROZFSEUCHZQR-IBGZPJMESA-N 1 0 451.792 4.607 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c2cccs2)CC1 ZINC001440389651 1065936812 /nfs/dbraw/zinc/93/68/12/1065936812.db2.gz OYKPWMRCYOWYGC-FZOAFFARSA-N 1 0 461.672 4.817 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1cc2c(ccc(Br)c2C)[nH]1)[NH+]1CCCC1 ZINC001440393937 1065937916 /nfs/dbraw/zinc/93/79/16/1065937916.db2.gz WVOHZMHBVIQAAB-NRFANRHFSA-N 1 0 456.384 4.814 20 0 JJADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCCCC[NH+]1CCCC1 ZINC001360829446 1065940879 /nfs/dbraw/zinc/94/08/79/1065940879.db2.gz BCXHNZOZEGMZGY-FGZHOGPDSA-N 1 0 475.722 4.857 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001360832267 1065943776 /nfs/dbraw/zinc/94/37/76/1065943776.db2.gz IQGDPRMMLAEXIG-GOSISDBHSA-N 1 0 478.106 4.963 20 0 JJADRO Cn1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1ccc(Br)cc1 ZINC001440510968 1065945904 /nfs/dbraw/zinc/94/59/04/1065945904.db2.gz RSBZEKWSKWOKBK-UHFFFAOYSA-N 1 0 452.396 4.849 20 0 JJADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001440539882 1065948298 /nfs/dbraw/zinc/94/82/98/1065948298.db2.gz QZERYSAAKRZODV-KXBFYZLASA-N 1 0 451.792 4.823 20 0 JJADRO CC(C)[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 ZINC001440643231 1065957339 /nfs/dbraw/zinc/95/73/39/1065957339.db2.gz CPSFHDPMOTUWRG-LJQANCHMSA-N 1 0 458.430 4.890 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1cccc(F)c1 ZINC001440670628 1065961618 /nfs/dbraw/zinc/96/16/18/1065961618.db2.gz CCRRGZNXAHLFMU-HXUWFJFHSA-N 1 0 458.331 4.808 20 0 JJADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)c(I)c1 ZINC001440676161 1065962861 /nfs/dbraw/zinc/96/28/61/1065962861.db2.gz XJYPADGAMBURCL-GOSISDBHSA-N 1 0 454.739 4.512 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3cccnc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001360851284 1065964224 /nfs/dbraw/zinc/96/42/24/1065964224.db2.gz GBHSFBQNDDIXQR-LJQANCHMSA-N 1 0 473.444 4.584 20 0 JJADRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001440679878 1065964775 /nfs/dbraw/zinc/96/47/75/1065964775.db2.gz VXKVLNMVSYCODF-SFTDATJTSA-N 1 0 455.624 4.883 20 0 JJADRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001440679866 1065964878 /nfs/dbraw/zinc/96/48/78/1065964878.db2.gz VXKVLNMVSYCODF-RTWAWAEBSA-N 1 0 455.624 4.883 20 0 JJADRO CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001440683207 1065965790 /nfs/dbraw/zinc/96/57/90/1065965790.db2.gz XXICMAGDKLCJEA-DYESRHJHSA-N 1 0 452.039 4.750 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001360852122 1065967448 /nfs/dbraw/zinc/96/74/48/1065967448.db2.gz YKMUGUQYEHHPDS-QGZVFWFLSA-N 1 0 493.881 4.993 20 0 JJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC001440687828 1065967412 /nfs/dbraw/zinc/96/74/12/1065967412.db2.gz VVIWCLWOEKDOHY-UHFFFAOYSA-N 1 0 455.400 4.715 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001360853042 1065968416 /nfs/dbraw/zinc/96/84/16/1065968416.db2.gz AZOGAKUXCXEDHS-UHFFFAOYSA-N 1 0 485.430 4.819 20 0 JJADRO Cn1c(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1-c1ccc(Br)cc1 ZINC001440709704 1065969037 /nfs/dbraw/zinc/96/90/37/1065969037.db2.gz NFWDCTDXOGMCMB-UHFFFAOYSA-N 1 0 452.396 4.980 20 0 JJADRO CC1=C(Br)CN(c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001360857513 1065975254 /nfs/dbraw/zinc/97/52/54/1065975254.db2.gz BLKMXEIIIPYHCT-UHFFFAOYSA-N 1 0 492.437 4.750 20 0 JJADRO Cc1occc1C(=O)NC1CCN(c2nnc(C(C)(C)C)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001360857608 1065975825 /nfs/dbraw/zinc/97/58/25/1065975825.db2.gz GEBBJQWGOHARQJ-UHFFFAOYSA-N 1 0 498.716 4.634 20 0 JJADRO Cc1occc1C(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001360857946 1065976859 /nfs/dbraw/zinc/97/68/59/1065976859.db2.gz RNGCZHGQBSOBRW-UHFFFAOYSA-N 1 0 496.631 4.503 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cnc(-c4cccc(Cl)c4)s3)CC2)c1 ZINC001440815116 1065980456 /nfs/dbraw/zinc/98/04/56/1065980456.db2.gz AMDWQGMDGFBFGB-UHFFFAOYSA-N 1 0 455.027 4.714 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccccc3COCc3ccccc3)CC2)c1 ZINC001440822326 1065981295 /nfs/dbraw/zinc/98/12/95/1065981295.db2.gz YQTGSJRXZKPZHL-UHFFFAOYSA-N 1 0 457.618 4.654 20 0 JJADRO C[C@@H]1C[NH+](CCCNC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@@H](C)O1 ZINC001440821698 1065981424 /nfs/dbraw/zinc/98/14/24/1065981424.db2.gz AYINVYKRSHEEFT-DRSNIGMVSA-N 1 0 451.394 4.729 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC001360862604 1065981391 /nfs/dbraw/zinc/98/13/91/1065981391.db2.gz UBXYYTCEIXAHPZ-IBGZPJMESA-N 1 0 468.690 4.778 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001360864882 1065983052 /nfs/dbraw/zinc/98/30/52/1065983052.db2.gz KVBXRKDNMMHHQH-HSZRJFAPSA-N 1 0 494.709 4.743 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1C ZINC001360865381 1065984363 /nfs/dbraw/zinc/98/43/63/1065984363.db2.gz ANEVLCGKQRKMGL-FYYLOGMGSA-N 1 0 498.716 4.506 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)CCNC(=O)c1ccc2ccccc2c1)c1ccccc1Cl ZINC001440866137 1065985326 /nfs/dbraw/zinc/98/53/26/1065985326.db2.gz JJSQQWFWBCGULN-XMMPIXPASA-N 1 0 451.998 4.812 20 0 JJADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001440865555 1065985447 /nfs/dbraw/zinc/98/54/47/1065985447.db2.gz PXIOVQXZFNMKIA-RPWUZVMVSA-N 1 0 457.659 4.893 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1)c1ccccc1Cl ZINC001440876002 1065987600 /nfs/dbraw/zinc/98/76/00/1065987600.db2.gz JHNHWDZNOPOYRM-LJQANCHMSA-N 1 0 450.345 4.526 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccoc3)n2CC[N@@H+]2CCC[C@H](C)C2)c1C ZINC001360868331 1065991525 /nfs/dbraw/zinc/99/15/25/1065991525.db2.gz BFWQRGVXFFYIPN-UGKGYDQZSA-N 1 0 451.615 4.996 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)c1C ZINC001360868694 1065993470 /nfs/dbraw/zinc/99/34/70/1065993470.db2.gz AOANYCKYBGRGJX-QFUCXCTJSA-N 1 0 495.590 4.675 20 0 JJADRO Cc1sc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)nc1-c1ccc(OC(F)F)cc1 ZINC001440923248 1065994244 /nfs/dbraw/zinc/99/42/44/1065994244.db2.gz KCYPAEPBHAMLJG-UHFFFAOYSA-N 1 0 451.539 4.694 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCOC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1C ZINC001360869001 1065995560 /nfs/dbraw/zinc/99/55/60/1065995560.db2.gz LSHMJAGTOGQINK-QPTUXGOLSA-N 1 0 469.674 4.628 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCCOC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360869252 1065997006 /nfs/dbraw/zinc/99/70/06/1065997006.db2.gz NGYPHGYNMZESBA-RPWUZVMVSA-N 1 0 469.674 4.774 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360869364 1065997646 /nfs/dbraw/zinc/99/76/46/1065997646.db2.gz OHVJNGUQPXMZFY-AZUAARDMSA-N 1 0 486.064 4.543 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001360869538 1065997943 /nfs/dbraw/zinc/99/79/43/1065997943.db2.gz ICSINBDBAGJYOT-WIVXBSKCSA-N 1 0 483.701 4.874 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1C ZINC001360869910 1066000344 /nfs/dbraw/zinc/00/03/44/1066000344.db2.gz RZFIZEQVYIRRCL-RDGATRHJSA-N 1 0 491.684 4.972 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)c1ccsc1 ZINC001441011071 1066000273 /nfs/dbraw/zinc/00/02/73/1066000273.db2.gz YNLLLVGESPLDIF-KRWDZBQOSA-N 1 0 456.921 4.698 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC001441011505 1066000528 /nfs/dbraw/zinc/00/05/28/1066000528.db2.gz XVJBDVGSQBFYGB-JOCHJYFZSA-N 1 0 457.412 4.920 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2CC2([NH+](C)C)CCCC2)c1C ZINC001360870073 1066000759 /nfs/dbraw/zinc/00/07/59/1066000759.db2.gz UBIRHCPDYJEIOR-HXUWFJFHSA-N 1 0 452.603 4.534 20 0 JJADRO Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001441064750 1066005273 /nfs/dbraw/zinc/00/52/73/1066005273.db2.gz ZGJTVMAHHBPTMX-MRXNPFEDSA-N 1 0 458.628 4.960 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545937957 1066005582 /nfs/dbraw/zinc/00/55/82/1066005582.db2.gz FZSCLZFDCOMYKX-SJBKTWHCSA-N 1 0 492.778 4.531 20 0 JJADRO CSc1nc(-c2ccco2)nc(C)c1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001441066377 1066005744 /nfs/dbraw/zinc/00/57/44/1066005744.db2.gz LJXMGDHHKYZMOF-UHFFFAOYSA-N 1 0 450.608 4.929 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)CC[C@H]3C)n2CC2([NH+](C)C)CCOCC2)c1C ZINC001360871762 1066006016 /nfs/dbraw/zinc/00/60/16/1066006016.db2.gz ZZEZEJAOBGLTNC-KJXAQDMKSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@]2(O)CC[N@H+](C)C2)c1C ZINC001360871661 1066006030 /nfs/dbraw/zinc/00/60/30/1066006030.db2.gz ZAACFVGHQRIJJO-XXAUWVGASA-N 1 0 469.674 4.507 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)CC3)n2C[C@]2([NH+](C)C)CCSC2)c1C ZINC001360872823 1066006725 /nfs/dbraw/zinc/00/67/25/1066006725.db2.gz BDLRGQANDMAYGL-SQJMNOBHSA-N 1 0 457.688 4.709 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@](C)(O)C2CC2)c1C ZINC001360872830 1066007207 /nfs/dbraw/zinc/00/72/07/1066007207.db2.gz BHLZHJKDXIENQT-DFHRPNOPSA-N 1 0 483.701 4.753 20 0 JJADRO O=C(C1C[NH+](C2CCCCC2)C1)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001441113675 1066008378 /nfs/dbraw/zinc/00/83/78/1066008378.db2.gz VZKKAUWLRWLBAS-UHFFFAOYSA-N 1 0 457.014 4.504 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H]4CCCC[C@@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001360873622 1066009902 /nfs/dbraw/zinc/00/99/02/1066009902.db2.gz HAEWKOSZXILAIG-TZRRMPRUSA-N 1 0 469.674 4.630 20 0 JJADRO COc1cc(/C=C(\C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc2)ccc1O ZINC001441177817 1066012027 /nfs/dbraw/zinc/01/20/27/1066012027.db2.gz PUSKAOCRSSXYDW-QOMWVZHYSA-N 1 0 456.586 4.765 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)c1C ZINC001360874271 1066012695 /nfs/dbraw/zinc/01/26/95/1066012695.db2.gz NLLVBONDYXKTEU-LADGPHEKSA-N 1 0 483.701 4.876 20 0 JJADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC001441192166 1066014130 /nfs/dbraw/zinc/01/41/30/1066014130.db2.gz XEVICEDHNUAHMA-UHFFFAOYSA-N 1 0 459.281 4.662 20 0 JJADRO O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001441193295 1066014563 /nfs/dbraw/zinc/01/45/63/1066014563.db2.gz CHPOBPKWSZKRFW-YRXWBPOGSA-N 1 0 450.467 4.967 20 0 JJADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001441217126 1066016448 /nfs/dbraw/zinc/01/64/48/1066016448.db2.gz DWRGOZIJEHJSQT-FQEVSTJZSA-N 1 0 455.027 4.707 20 0 JJADRO CN1CC[N@H+](CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001441238073 1066017892 /nfs/dbraw/zinc/01/78/92/1066017892.db2.gz FPIAACWSCMEIHB-URLMMPGGSA-N 1 0 455.646 4.898 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCOC(C)C)c1C ZINC001360875498 1066018229 /nfs/dbraw/zinc/01/82/29/1066018229.db2.gz UFQTURJNKKKTCY-DHIUTWEWSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C4CCCC4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360876801 1066021122 /nfs/dbraw/zinc/02/11/22/1066021122.db2.gz BKYFLCQHKZGPKA-CUNXSJBXSA-N 1 0 469.674 4.507 20 0 JJADRO CCOc1ccccc1-c1cccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC001441252552 1066021427 /nfs/dbraw/zinc/02/14/27/1066021427.db2.gz ZUBGBZQTQRLNLM-HHHXNRCGSA-N 1 0 457.618 4.861 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCc2nccs2)c1C ZINC001360876844 1066021555 /nfs/dbraw/zinc/02/15/55/1066021555.db2.gz BWZJQVCNUMRGFP-QFIPXVFZSA-N 1 0 482.698 4.902 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CC(F)(F)F)c1C ZINC001360877678 1066023912 /nfs/dbraw/zinc/02/39/12/1066023912.db2.gz NNSLTELOCNOOIJ-VQIMIIECSA-N 1 0 465.564 4.908 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCOC2CCOCC2)c1C ZINC001360878749 1066026955 /nfs/dbraw/zinc/02/69/55/1066026955.db2.gz ZQFFILAAJFBJQU-HSZRJFAPSA-N 1 0 499.700 4.541 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC4(CCCCC4)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001360879133 1066029141 /nfs/dbraw/zinc/02/91/41/1066029141.db2.gz GXHDSCOVPWSFLO-HSZRJFAPSA-N 1 0 469.674 4.915 20 0 JJADRO CCCOc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(OC(C)C)c1 ZINC001441329238 1066029260 /nfs/dbraw/zinc/02/92/60/1066029260.db2.gz WLZNONUYHZEEOV-NHCUHLMSSA-N 1 0 454.611 4.802 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@]4(CCO[C@@H]4C)C3)n2CC[NH+](C(C)C)C(C)C)c1C ZINC001360879332 1066029857 /nfs/dbraw/zinc/02/98/57/1066029857.db2.gz JQTXESQEPMZNJG-PRVBGKCFSA-N 1 0 499.700 4.538 20 0 JJADRO CC(C)C[C@@H](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC001441336351 1066029875 /nfs/dbraw/zinc/02/98/75/1066029875.db2.gz BTZHCUVEFRMKJA-SFTDATJTSA-N 1 0 452.039 4.923 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@]4(CCO[C@H]4C)C3)n2CC[NH+](C(C)C)C(C)C)c1C ZINC001360879331 1066029942 /nfs/dbraw/zinc/02/99/42/1066029942.db2.gz JQTXESQEPMZNJG-NYULUDCUSA-N 1 0 499.700 4.538 20 0 JJADRO Cc1ccc(N2C[C@H](C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CCC2=O)cc1C ZINC001441340917 1066030470 /nfs/dbraw/zinc/03/04/70/1066030470.db2.gz IYVDWFJARSZPBZ-QPPBQGQZSA-N 1 0 454.014 4.653 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C)C3)n2CC[C@H](C)[NH+]2CCCCC2)c1C ZINC001360879492 1066030621 /nfs/dbraw/zinc/03/06/21/1066030621.db2.gz LRVVJGRHKAPVDZ-QZNHQXDQSA-N 1 0 455.647 4.525 20 0 JJADRO CC(C)[C@@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)[NH+]1CCC(C)CC1 ZINC001441344678 1066031088 /nfs/dbraw/zinc/03/10/88/1066031088.db2.gz WIJBRTFAIUHNOQ-DHIUTWEWSA-N 1 0 451.696 4.970 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCSCC3)n2CC(C)(C)[NH+]2CCCCC2)c1C ZINC001360879631 1066031284 /nfs/dbraw/zinc/03/12/84/1066031284.db2.gz NIZCCVZGLHCAHH-NRFANRHFSA-N 1 0 457.688 4.853 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC[C@H]3C)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360879876 1066031646 /nfs/dbraw/zinc/03/16/46/1066031646.db2.gz RHWPRBBMZJUVRU-IRLDBZIGSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC[C@H]3C)n2CCC[N@H+](C)C2CCCCC2)c1C ZINC001360879954 1066031943 /nfs/dbraw/zinc/03/19/43/1066031943.db2.gz SNRPGJHDMWNXMO-GGAORHGYSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC2([NH+](C)C)CCC2)c1C ZINC001360880198 1066032790 /nfs/dbraw/zinc/03/27/90/1066032790.db2.gz XMZQQJYCLIIMBK-SFTDATJTSA-N 1 0 455.647 4.523 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)C1 ZINC001441355469 1066033130 /nfs/dbraw/zinc/03/31/30/1066033130.db2.gz NKLOJKCQADBFLU-CRICUBBOSA-N 1 0 457.977 4.911 20 0 JJADRO CC1=C(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001360880744 1066033543 /nfs/dbraw/zinc/03/35/43/1066033543.db2.gz BWPYLXDJLLULGQ-NRFANRHFSA-N 1 0 499.084 4.772 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cc1 ZINC001441363333 1066035121 /nfs/dbraw/zinc/03/51/21/1066035121.db2.gz JTBRBLLNHVTYFO-UHFFFAOYSA-N 1 0 450.583 4.685 20 0 JJADRO CC1=C(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001360882823 1066036046 /nfs/dbraw/zinc/03/60/46/1066036046.db2.gz AIHQAHAZGMMSNA-AREMUKBSSA-N 1 0 459.679 4.520 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001360884763 1066038865 /nfs/dbraw/zinc/03/88/65/1066038865.db2.gz GHFRCSYPKSKMBW-UHFFFAOYSA-N 1 0 461.452 4.847 20 0 JJADRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1ccc(NC(N)=O)cc1 ZINC001441424646 1066040175 /nfs/dbraw/zinc/04/01/75/1066040175.db2.gz RPHIFUZCJBYTSH-AYCKEJKLSA-N 1 0 477.008 4.924 20 0 JJADRO Cc1cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)nn1-c1ccccc1Br ZINC001441446329 1066041576 /nfs/dbraw/zinc/04/15/76/1066041576.db2.gz NINUSHYZAYFEIB-UHFFFAOYSA-N 1 0 455.400 4.713 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2cccc(OCc3cccnc3)c2)C1 ZINC001441447012 1066041629 /nfs/dbraw/zinc/04/16/29/1066041629.db2.gz NBQFEMOBNJLBGN-DHIUTWEWSA-N 1 0 457.618 4.997 20 0 JJADRO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001360891896 1066043378 /nfs/dbraw/zinc/04/33/78/1066043378.db2.gz FYVXOVMHDHUSSR-QFIPXVFZSA-N 1 0 451.640 4.811 20 0 JJADRO CC1=C(C)CN(c2nnc(CCCc3ccccc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001360892264 1066044023 /nfs/dbraw/zinc/04/40/23/1066044023.db2.gz RAAGOEVZSMNGJO-XMMPIXPASA-N 1 0 451.659 4.501 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cc2)C1 ZINC001441478809 1066045622 /nfs/dbraw/zinc/04/56/22/1066045622.db2.gz IWKATPXYHPILEN-HGEDTPFNSA-N 1 0 460.540 4.963 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001441489085 1066046030 /nfs/dbraw/zinc/04/60/30/1066046030.db2.gz YDFCKLHPVLALHP-FAYOUJPWSA-N 1 0 457.659 4.864 20 0 JJADRO Cc1nc([C@H]2CCCN(c3nnc(-c4cccn4C)n3CC[NH+](C(C)C)C(C)C)C2)sc1C ZINC001360894818 1066047234 /nfs/dbraw/zinc/04/72/34/1066047234.db2.gz VYLSSFRLIDLNEV-NRFANRHFSA-N 1 0 469.703 4.860 20 0 JJADRO Cc1nc([C@@H]2CCCN(c3nnc(Cc4ccccn4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)sc1C ZINC001360895374 1066047983 /nfs/dbraw/zinc/04/79/83/1066047983.db2.gz ABRBPTNNECZPEF-FYYLOGMGSA-N 1 0 481.714 4.698 20 0 JJADRO Cc1nc([C@H]2CCCN(c3nnc(COc4ccc(F)cc4)n3CC[N@@H+](C)C(C)C)C2)sc1C ZINC001360896282 1066050211 /nfs/dbraw/zinc/05/02/11/1066050211.db2.gz ZWAMBDOBSULPON-FQEVSTJZSA-N 1 0 486.661 4.794 20 0 JJADRO Cc1nc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](CC(C)C)CC2)sc1C ZINC001360901271 1066054578 /nfs/dbraw/zinc/05/45/78/1066054578.db2.gz KVIHFXINXCNWSC-GOSISDBHSA-N 1 0 489.089 4.971 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)c1 ZINC001441625032 1066055948 /nfs/dbraw/zinc/05/59/48/1066055948.db2.gz SGSSUDLFNYOQMW-VXNXHJTFSA-N 1 0 457.659 4.960 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(F)(F)c1ccccc1Br ZINC001441658025 1066058770 /nfs/dbraw/zinc/05/87/70/1066058770.db2.gz LJOPHYCBFLNQPG-UHFFFAOYSA-N 1 0 455.343 4.578 20 0 JJADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001441669777 1066059622 /nfs/dbraw/zinc/05/96/22/1066059622.db2.gz WNOMIVXTUYVGJN-XMMPIXPASA-N 1 0 453.558 4.974 20 0 JJADRO O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC001441744711 1066066863 /nfs/dbraw/zinc/06/68/63/1066066863.db2.gz CJXPTEJVEZCZHK-UHFFFAOYSA-N 1 0 456.011 4.844 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC001441825730 1066074426 /nfs/dbraw/zinc/07/44/26/1066074426.db2.gz XKIANJZBMDLROB-SFHVURJKSA-N 1 0 457.537 4.650 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)[NH+]1CCCCC1 ZINC001441886746 1066078156 /nfs/dbraw/zinc/07/81/56/1066078156.db2.gz PBZNZXLVBAWHRM-GNNUASRNSA-N 1 0 454.567 4.600 20 0 JJADRO C[C@H](CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C[NH+]1CCCCC1 ZINC001441912364 1066080555 /nfs/dbraw/zinc/08/05/55/1066080555.db2.gz IQKFKPRAGNXJNN-LJQANCHMSA-N 1 0 455.002 4.507 20 0 JJADRO C[C@H](CNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001441912438 1066080610 /nfs/dbraw/zinc/08/06/10/1066080610.db2.gz JGNPOQDIQJBSGE-OAQYLSRUSA-N 1 0 457.659 4.728 20 0 JJADRO CN(c1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC001441916750 1066080824 /nfs/dbraw/zinc/08/08/24/1066080824.db2.gz QTFITBPFFNOTNI-QHCPKHFHSA-N 1 0 458.647 4.629 20 0 JJADRO CC(C)(C)[NH+]1CCN(C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC1 ZINC001441965311 1066083463 /nfs/dbraw/zinc/08/34/63/1066083463.db2.gz BHSDSHOEUQKNFI-UHFFFAOYSA-N 1 0 453.384 4.616 20 0 JJADRO Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](c2ccco2)[NH+](C)C)cnn1C ZINC001360929642 1066085754 /nfs/dbraw/zinc/08/57/54/1066085754.db2.gz LFGJBOIERAOCRU-XMSQKQJNSA-N 1 0 498.031 4.646 20 0 JJADRO Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](c2ccco2)[NH+](C)C)cnn1C ZINC001360929641 1066085791 /nfs/dbraw/zinc/08/57/91/1066085791.db2.gz LFGJBOIERAOCRU-PGRDOPGGSA-N 1 0 498.031 4.646 20 0 JJADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001442029607 1066086430 /nfs/dbraw/zinc/08/64/30/1066086430.db2.gz RGWPGJVQECSTOR-FQEVSTJZSA-N 1 0 454.368 4.539 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)C[NH+](C)C ZINC001360930313 1066087036 /nfs/dbraw/zinc/08/70/36/1066087036.db2.gz TUMFUYSJAYLUHX-UHFFFAOYSA-N 1 0 452.672 4.737 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360930815 1066087342 /nfs/dbraw/zinc/08/73/42/1066087342.db2.gz OEONMKQLOXYIQW-MHECFPHRSA-N 1 0 473.618 4.532 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360932059 1066088971 /nfs/dbraw/zinc/08/89/71/1066088971.db2.gz DKVSYRIHSOKQBN-FQEVSTJZSA-N 1 0 458.404 4.586 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360932098 1066089382 /nfs/dbraw/zinc/08/93/82/1066089382.db2.gz FGUYRSUIEWIQIZ-UHFFFAOYSA-N 1 0 492.491 4.559 20 0 JJADRO CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001442068971 1066089587 /nfs/dbraw/zinc/08/95/87/1066089587.db2.gz FOXFMOCLOOOSPJ-IIBYNOLFSA-N 1 0 453.384 4.690 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001442082195 1066091409 /nfs/dbraw/zinc/09/14/09/1066091409.db2.gz XZNNNVASIJAVBR-HOFKKMOUSA-N 1 0 455.643 4.714 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360934607 1066092400 /nfs/dbraw/zinc/09/24/00/1066092400.db2.gz FWKKTQLSKCHSEW-FQEVSTJZSA-N 1 0 496.500 4.744 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCC[NH+]1CCC(C)CC1 ZINC001360934634 1066092876 /nfs/dbraw/zinc/09/28/76/1066092876.db2.gz GNQRBNNIMOKUGU-UHFFFAOYSA-N 1 0 474.078 4.907 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360934954 1066093991 /nfs/dbraw/zinc/09/39/91/1066093991.db2.gz RNUYMKQVFQBATF-INIZCTEOSA-N 1 0 464.433 4.647 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001442110178 1066094515 /nfs/dbraw/zinc/09/45/15/1066094515.db2.gz AHSOSORZLFKGIU-RPWUZVMVSA-N 1 0 457.659 4.879 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+](C)C2CCCC2)cnn1C ZINC001360935209 1066094861 /nfs/dbraw/zinc/09/48/61/1066094861.db2.gz XDIOJHVRTKHECL-UHFFFAOYSA-N 1 0 476.456 4.805 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001360944678 1066099438 /nfs/dbraw/zinc/09/94/38/1066099438.db2.gz FKLCZJGGYSDKRL-QZTJIDSGSA-N 1 0 457.569 4.805 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360945143 1066100237 /nfs/dbraw/zinc/10/02/37/1066100237.db2.gz VYVXNDSJMBGVEF-UHFFFAOYSA-N 1 0 456.635 4.531 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360946439 1066101343 /nfs/dbraw/zinc/10/13/43/1066101343.db2.gz JKYCGSCCVSHTFW-UHFFFAOYSA-N 1 0 458.701 4.986 20 0 JJADRO Cc1occc1CN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360947347 1066102447 /nfs/dbraw/zinc/10/24/47/1066102447.db2.gz IQQMWXFLPWJCGZ-QHCPKHFHSA-N 1 0 451.615 4.558 20 0 JJADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC001442219786 1066103634 /nfs/dbraw/zinc/10/36/34/1066103634.db2.gz GIMZGHUTTZSTHB-NRFANRHFSA-N 1 0 455.400 4.559 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001360949430 1066104198 /nfs/dbraw/zinc/10/41/98/1066104198.db2.gz GOERZEPGUVDSQE-ZWKOTPCHSA-N 1 0 472.634 4.518 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001360949627 1066106225 /nfs/dbraw/zinc/10/62/25/1066106225.db2.gz NBANYDVFCLMKMP-DNVJHFABSA-N 1 0 457.663 4.855 20 0 JJADRO Cc1cc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1-n1cccn1 ZINC001360951592 1066108539 /nfs/dbraw/zinc/10/85/39/1066108539.db2.gz CUBAPZZYKNRLOI-NRFANRHFSA-N 1 0 456.512 4.707 20 0 JJADRO O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951826 1066108660 /nfs/dbraw/zinc/10/86/60/1066108660.db2.gz KNTKIOXLTHVYRE-YZGWKJHDSA-N 1 0 452.467 4.981 20 0 JJADRO CCc1c(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cnn1CC(C)C ZINC001360951918 1066109122 /nfs/dbraw/zinc/10/91/22/1066109122.db2.gz NHZIYDGLWNIMLX-HXUWFJFHSA-N 1 0 450.549 4.628 20 0 JJADRO COc1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc(OC)c1C ZINC001360951987 1066109210 /nfs/dbraw/zinc/10/92/10/1066109210.db2.gz QNIXFVRTJFYOAO-LJQANCHMSA-N 1 0 450.501 4.539 20 0 JJADRO CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1OCC ZINC001442284129 1066111329 /nfs/dbraw/zinc/11/13/29/1066111329.db2.gz ALINOZDXIUJNSP-VQTJNVASSA-N 1 0 452.595 4.565 20 0 JJADRO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC001545947981 1066111872 /nfs/dbraw/zinc/11/18/72/1066111872.db2.gz HYBLNSIRIMVYQJ-YYDVJCTNSA-N 1 0 452.647 4.504 20 0 JJADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC001545947980 1066111890 /nfs/dbraw/zinc/11/18/90/1066111890.db2.gz HYBLNSIRIMVYQJ-SFYKDHMMSA-N 1 0 452.647 4.504 20 0 JJADRO Cc1c(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cnn1C ZINC001360959402 1066116799 /nfs/dbraw/zinc/11/67/99/1066116799.db2.gz AVCNXABPENSXMI-UHFFFAOYSA-N 1 0 463.674 4.643 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2ccc(COc3cccc(Br)c3)o2)[NH+](C)C)cc1 ZINC001442470655 1066128500 /nfs/dbraw/zinc/12/85/00/1066128500.db2.gz FUAWLIZFFNDZDJ-OAQYLSRUSA-N 1 0 457.368 4.962 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC(=O)c1ccccn1)[NH+](C)C ZINC001442474685 1066129797 /nfs/dbraw/zinc/12/97/97/1066129797.db2.gz ZIBNXGCLICNMEY-OAQYLSRUSA-N 1 0 450.410 4.966 20 0 JJADRO Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)[NH+](C)C)cc1 ZINC001442478150 1066130737 /nfs/dbraw/zinc/13/07/37/1066130737.db2.gz UNHDSUTYKOSUIL-APTRMMRNSA-N 1 0 459.993 4.505 20 0 JJADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1nc(C)c2c1nc(C(C)C)cc2C(F)(F)F ZINC001442527707 1066133673 /nfs/dbraw/zinc/13/36/73/1066133673.db2.gz NJHOFBKQXRLVJI-KRWDZBQOSA-N 1 0 453.553 4.653 20 0 JJADRO Cc1c(Cn2c(N3CCC[C@H](C[NH+]4CCCCCC4)C3)nnc2C(C)(C)C)cnn1CC(C)C ZINC001360978922 1066137094 /nfs/dbraw/zinc/13/70/94/1066137094.db2.gz GVAKOQJNNWANPP-HSZRJFAPSA-N 1 0 469.722 4.877 20 0 JJADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC001442568505 1066139009 /nfs/dbraw/zinc/13/90/09/1066139009.db2.gz HRINIYDVJIRMBF-RPLLCQBOSA-N 1 0 450.623 4.660 20 0 JJADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCOc3ccc(Cl)cc3Br)C2)CC1 ZINC001442575259 1066140180 /nfs/dbraw/zinc/14/01/80/1066140180.db2.gz VKYIDAVWBXEEAS-KRWDZBQOSA-N 1 0 457.840 4.842 20 0 JJADRO COc1ccc(Br)cc1C1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001442597739 1066142881 /nfs/dbraw/zinc/14/28/81/1066142881.db2.gz ZKBIBJDNFLDAOQ-OAQYLSRUSA-N 1 0 457.412 4.751 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)[NH+]2CCCC2)cc1 ZINC001442603185 1066143175 /nfs/dbraw/zinc/14/31/75/1066143175.db2.gz PYLJYKLMGSJMGV-XZOQPEGZSA-N 1 0 455.643 4.675 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)[NH+](C)C ZINC001360985415 1066147154 /nfs/dbraw/zinc/14/71/54/1066147154.db2.gz AAPYNEFMTXMQCL-XLIONFOSSA-N 1 0 494.709 4.773 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001360985588 1066148557 /nfs/dbraw/zinc/14/85/57/1066148557.db2.gz GLFXUHRTBUDESC-OFNKIYASSA-N 1 0 496.700 4.722 20 0 JJADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cc2cccc(OCCCOc3ccccc3)c2)C1 ZINC001442672274 1066150712 /nfs/dbraw/zinc/15/07/12/1066150712.db2.gz VWWRXAFXZGSFLZ-ARNLJNQMSA-N 1 0 450.623 4.941 20 0 JJADRO CC[C@H](Cn1c(C(C)C)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545950960 1066153083 /nfs/dbraw/zinc/15/30/83/1066153083.db2.gz ZGFMDXFJAAFRJB-NQHRYMMQSA-N 1 0 453.675 4.880 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001442732649 1066156380 /nfs/dbraw/zinc/15/63/80/1066156380.db2.gz XHUVGFNVSQHYNL-UHFFFAOYSA-N 1 0 452.407 4.881 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1CCCC[NH+]1CCOCC1 ZINC001360990045 1066165190 /nfs/dbraw/zinc/16/51/90/1066165190.db2.gz PHRAXWYQKVMOAB-IBGZPJMESA-N 1 0 498.018 4.646 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCCO1 ZINC001360990142 1066165793 /nfs/dbraw/zinc/16/57/93/1066165793.db2.gz QGXIOWLIBZTODP-SIKLNZKXSA-N 1 0 476.065 4.834 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C)C2)n1CCOCC[NH+](C)C ZINC001360990434 1066167474 /nfs/dbraw/zinc/16/74/74/1066167474.db2.gz VMEQCSAGCTWZBG-YLJYHZDGSA-N 1 0 464.054 4.503 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCCCCO ZINC001360990551 1066168239 /nfs/dbraw/zinc/16/82/39/1066168239.db2.gz XIMYSNZCVHHOFF-FYYLOGMGSA-N 1 0 490.092 4.916 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001360991433 1066169742 /nfs/dbraw/zinc/16/97/42/1066169742.db2.gz CHANWPMFFQGSMX-LEWJYISDSA-N 1 0 476.065 4.789 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCCCCCO ZINC001360991643 1066170278 /nfs/dbraw/zinc/17/02/78/1066170278.db2.gz DQCMFKMDFMBOLS-GGAORHGYSA-N 1 0 490.092 4.916 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCC[NH+]1CCOCC1 ZINC001360991928 1066170796 /nfs/dbraw/zinc/17/07/96/1066170796.db2.gz GZEQHILQGVORRJ-URVUXULASA-N 1 0 494.055 4.595 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001360992132 1066171014 /nfs/dbraw/zinc/17/10/14/1066171014.db2.gz JAGHPTVXSFIGJB-WOJBJXKFSA-N 1 0 476.065 4.788 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSCC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001360992688 1066172328 /nfs/dbraw/zinc/17/23/28/1066172328.db2.gz RBQKWVKBZOQSKK-PXNSSMCTSA-N 1 0 478.106 4.973 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOCC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001360993031 1066172537 /nfs/dbraw/zinc/17/25/37/1066172537.db2.gz WYAKDOLYOFHMIE-CTNGQTDRSA-N 1 0 464.054 4.501 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC[C@@H]1CCOC1 ZINC001360992949 1066172608 /nfs/dbraw/zinc/17/26/08/1066172608.db2.gz WVCUBJCPXOMZFC-NHCUHLMSSA-N 1 0 476.065 4.645 20 0 JJADRO COc1cccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1OC(F)F ZINC001360993371 1066173369 /nfs/dbraw/zinc/17/33/69/1066173369.db2.gz GAQGVBHDEGDFJB-FCHUYYIVSA-N 1 0 468.500 4.651 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC001360996178 1066174843 /nfs/dbraw/zinc/17/48/43/1066174843.db2.gz CXIOWDBBGCJGNY-UGKGYDQZSA-N 1 0 455.624 4.859 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)[C@@H]1c1cccs1 ZINC001360996943 1066175491 /nfs/dbraw/zinc/17/54/91/1066175491.db2.gz XAWVZZCJAPIKLU-CEMLEFRQSA-N 1 0 457.640 4.588 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@H]1c1cccs1 ZINC001360996851 1066175509 /nfs/dbraw/zinc/17/55/09/1066175509.db2.gz VDEKASGRTOSNGT-QRWLVFNGSA-N 1 0 459.413 4.509 20 0 JJADRO CC1(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC001361009364 1066191704 /nfs/dbraw/zinc/19/17/04/1066191704.db2.gz KRYSOAZMFOLAJD-UHFFFAOYSA-N 1 0 455.908 4.551 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCC2)c(C)c1 ZINC001361011894 1066195368 /nfs/dbraw/zinc/19/53/68/1066195368.db2.gz IKIVAIGFRWTJME-UHFFFAOYSA-N 1 0 468.690 4.842 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC[N@H+](C)C2CCCCC2)c(C)c1 ZINC001361014581 1066201231 /nfs/dbraw/zinc/20/12/31/1066201231.db2.gz QPLSPEDFHVEBLM-UHFFFAOYSA-N 1 0 491.684 4.548 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCSC3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001361018238 1066207932 /nfs/dbraw/zinc/20/79/32/1066207932.db2.gz KAZCBPHCIDGCLQ-QHCPKHFHSA-N 1 0 471.715 4.928 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCSC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361018318 1066208015 /nfs/dbraw/zinc/20/80/15/1066208015.db2.gz LCJBXSIIKPMETQ-VXKWHMMOSA-N 1 0 457.688 4.536 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361021130 1066213231 /nfs/dbraw/zinc/21/32/31/1066213231.db2.gz QTGKUHZFMDPJFB-QFIPXVFZSA-N 1 0 477.657 4.508 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccsc3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361021372 1066214439 /nfs/dbraw/zinc/21/44/39/1066214439.db2.gz VYZYRPDYWYVVIX-XMMPIXPASA-N 1 0 471.696 4.609 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361022269 1066216759 /nfs/dbraw/zinc/21/67/59/1066216759.db2.gz KYSPQZLJGOKVKS-DNQXCXABSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361022570 1066218562 /nfs/dbraw/zinc/21/85/62/1066218562.db2.gz VHRMRYSGQUBTST-SDHSZQHLSA-N 1 0 483.701 4.705 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361022625 1066218757 /nfs/dbraw/zinc/21/87/57/1066218757.db2.gz WURKNOBPJYNDAN-BJKOFHAPSA-N 1 0 469.674 4.600 20 0 JJADRO CC[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545952029 1066224254 /nfs/dbraw/zinc/22/42/54/1066224254.db2.gz GWTLYTLTOCXLDU-NQOUVNBVSA-N 1 0 473.637 4.683 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)OC3CCCC3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001361025190 1066224146 /nfs/dbraw/zinc/22/41/46/1066224146.db2.gz YNVHWOBDGHYHBQ-QFIPXVFZSA-N 1 0 455.647 4.906 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361026832 1066227673 /nfs/dbraw/zinc/22/76/73/1066227673.db2.gz IANPXHDRDNRNMK-AZGAKELHSA-N 1 0 483.701 4.703 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361027250 1066228896 /nfs/dbraw/zinc/22/88/96/1066228896.db2.gz MYTCFHFGHAJCAA-GOSISDBHSA-N 1 0 461.601 4.830 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(COc4cc(C)cc(C)c4)n3CC[N@@H+](C)C(C)C)CC2)s1 ZINC001361027549 1066230511 /nfs/dbraw/zinc/23/05/11/1066230511.db2.gz PJJLAMQFQUOCAK-UHFFFAOYSA-N 1 0 482.698 4.963 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001361028544 1066233350 /nfs/dbraw/zinc/23/33/50/1066233350.db2.gz KQIICMLLJGYVAS-VJBWXMMDSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361028688 1066234866 /nfs/dbraw/zinc/23/48/66/1066234866.db2.gz ONMAZIQLZBTWAZ-HWBMXIPRSA-N 1 0 469.674 4.598 20 0 JJADRO Cc1ccc([C@H](CNC(=O)CCOc2ccc(Cl)cc2Br)[NH+]2CCCC2)o1 ZINC001442870953 1066235571 /nfs/dbraw/zinc/23/55/71/1066235571.db2.gz GJBHEVLTHJJSHP-KRWDZBQOSA-N 1 0 455.780 4.726 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361029089 1066235972 /nfs/dbraw/zinc/23/59/72/1066235972.db2.gz YTLVROQKZYHZGI-FGZHOGPDSA-N 1 0 471.715 4.926 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)OC ZINC001545952570 1066238003 /nfs/dbraw/zinc/23/80/03/1066238003.db2.gz MICAIASLKNIFIL-RJGXRXQPSA-N 1 0 455.647 4.525 20 0 JJADRO CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC001442903548 1066238158 /nfs/dbraw/zinc/23/81/58/1066238158.db2.gz GVPHJDULRKYXTJ-UHFFFAOYSA-N 1 0 450.583 4.738 20 0 JJADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)cc1 ZINC001442913069 1066239540 /nfs/dbraw/zinc/23/95/40/1066239540.db2.gz CXSINHCSIDEICZ-UHFFFAOYSA-N 1 0 457.987 4.858 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CCCC(C)(C)C)c1 ZINC001361031041 1066239381 /nfs/dbraw/zinc/23/93/81/1066239381.db2.gz GEZYUQOTOUHQOX-RUZDIDTESA-N 1 0 496.744 4.905 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001361031279 1066240939 /nfs/dbraw/zinc/24/09/39/1066240939.db2.gz MYJWAEMQMCBJCB-UKILVPOCSA-N 1 0 483.701 4.846 20 0 JJADRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cccc(OCC(=O)OC(C)(C)C)c3)c2)CC1 ZINC001442925416 1066241575 /nfs/dbraw/zinc/24/15/75/1066241575.db2.gz AQPTVMQDKKUCMR-UHFFFAOYSA-N 1 0 452.595 4.569 20 0 JJADRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001454062958 1066241797 /nfs/dbraw/zinc/24/17/97/1066241797.db2.gz RVLBESIPQKZEBO-QHCPKHFHSA-N 1 0 457.412 4.807 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361031512 1066242146 /nfs/dbraw/zinc/24/21/46/1066242146.db2.gz UBZWYJFUUJLLES-WIYYLYMNSA-N 1 0 479.591 4.985 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001361031949 1066243526 /nfs/dbraw/zinc/24/35/26/1066243526.db2.gz GKWCKJODEQDMMO-CTNGQTDRSA-N 1 0 495.590 4.504 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361032152 1066245056 /nfs/dbraw/zinc/24/50/56/1066245056.db2.gz MHGVNSFIHXGRAQ-RBJSKKJNSA-N 1 0 483.701 4.726 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCSC(C)C)c1 ZINC001361032128 1066245110 /nfs/dbraw/zinc/24/51/10/1066245110.db2.gz LZYCKMQOBYDOCR-QFIPXVFZSA-N 1 0 457.688 4.680 20 0 JJADRO COc1ccc(C(=O)CCC(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC001454123820 1066248525 /nfs/dbraw/zinc/24/85/25/1066248525.db2.gz YJTQHZOAKVQVMG-UHFFFAOYSA-N 1 0 452.595 4.568 20 0 JJADRO CC(C)C[NH+]1CCC(C(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC001442983673 1066249876 /nfs/dbraw/zinc/24/98/76/1066249876.db2.gz AFDQLMMYYQWVME-AREMUKBSSA-N 1 0 454.058 4.942 20 0 JJADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC001443007033 1066252119 /nfs/dbraw/zinc/25/21/19/1066252119.db2.gz SSLCPHXWZAQQHR-UHFFFAOYSA-N 1 0 455.558 4.948 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCC(F)(F)C2)c1 ZINC001361035183 1066253046 /nfs/dbraw/zinc/25/30/46/1066253046.db2.gz AFCHMICSKUDJFI-OAQYLSRUSA-N 1 0 461.601 4.687 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCOc2ncccc2Cl)c1 ZINC001361035118 1066253178 /nfs/dbraw/zinc/25/31/78/1066253178.db2.gz QQWAHAXELFAZNW-UHFFFAOYSA-N 1 0 499.059 4.522 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCOC(F)(F)F)c1 ZINC001361035429 1066253565 /nfs/dbraw/zinc/25/35/65/1066253565.db2.gz XDCKNHIOOYUBIE-UHFFFAOYSA-N 1 0 483.579 4.711 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2CC(C)(C)C(C)C)c1 ZINC001361035400 1066253603 /nfs/dbraw/zinc/25/36/03/1066253603.db2.gz CWWRFOQAAJTFOM-UHFFFAOYSA-N 1 0 483.701 4.705 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccsc2)c1 ZINC001361035465 1066253795 /nfs/dbraw/zinc/25/37/95/1066253795.db2.gz XRPZAQZRPBTERL-UHFFFAOYSA-N 1 0 453.656 4.894 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)c2ccccn2)c1 ZINC001361035479 1066253849 /nfs/dbraw/zinc/25/38/49/1066253849.db2.gz YFODEMJMQBQXEH-UHFFFAOYSA-N 1 0 476.669 4.767 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001361038838 1066258404 /nfs/dbraw/zinc/25/84/04/1066258404.db2.gz QPCRWDRDLSBLEF-JOCHJYFZSA-N 1 0 495.590 4.506 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361038802 1066258569 /nfs/dbraw/zinc/25/85/69/1066258569.db2.gz PKLVDGTVGYXLQP-MUUNZHRXSA-N 1 0 483.701 4.990 20 0 JJADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(F)c1Sc1ccccc1 ZINC001454269984 1066261285 /nfs/dbraw/zinc/26/12/85/1066261285.db2.gz OMFHLTGHCOQPRD-AREMUKBSSA-N 1 0 450.579 4.686 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001361039638 1066261662 /nfs/dbraw/zinc/26/16/62/1066261662.db2.gz OULJSPNBFWSPBV-FPOVZHCZSA-N 1 0 471.696 4.780 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2CC[NH+]2CCCCCC2)c1 ZINC001361039801 1066262494 /nfs/dbraw/zinc/26/24/94/1066262494.db2.gz UWOJXWGVMFXWOM-FGZHOGPDSA-N 1 0 457.688 4.680 20 0 JJADRO C[NH+](C)C1(CNC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)Cc2ccccc2C1 ZINC001361040934 1066263747 /nfs/dbraw/zinc/26/37/47/1066263747.db2.gz LYRLLCOGPWVVRU-DEOSSOPVSA-N 1 0 452.957 4.815 20 0 JJADRO CCOc1cc(/C=C/C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)ccc1O ZINC001443084523 1066264169 /nfs/dbraw/zinc/26/41/69/1066264169.db2.gz AZMOLKPEEACEQX-OQLLNIDSSA-N 1 0 451.567 4.647 20 0 JJADRO O=C(CCC(=O)c1ccc(Cl)cn1)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001443096090 1066266551 /nfs/dbraw/zinc/26/65/51/1066266551.db2.gz ZILRDYGRLZJYRC-UHFFFAOYSA-N 1 0 456.974 4.541 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001443103182 1066268955 /nfs/dbraw/zinc/26/89/55/1066268955.db2.gz LYFGYGGUZPRWDB-QGZVFWFLSA-N 1 0 450.549 4.536 20 0 JJADRO COc1cc(OC)cc(C2(C(=O)N3CCC(C[N@H+](C)Cc4ccccc4)CC3)CCCC2)c1 ZINC001443105978 1066269406 /nfs/dbraw/zinc/26/94/06/1066269406.db2.gz QEJFTSMFHOBRIF-UHFFFAOYSA-N 1 0 450.623 4.886 20 0 JJADRO Cc1ccc(C(=O)NCC(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cc1C ZINC001443148170 1066272808 /nfs/dbraw/zinc/27/28/08/1066272808.db2.gz XUGIMVJQFVAYOD-UHFFFAOYSA-N 1 0 457.618 4.603 20 0 JJADRO C[NH+](C)CCCN(C(=O)c1cn(Cc2cccs2)nn1)C(c1ccccc1)c1ccccc1 ZINC001443150504 1066273716 /nfs/dbraw/zinc/27/37/16/1066273716.db2.gz KLBVJXUVGMKTGQ-UHFFFAOYSA-N 1 0 459.619 4.571 20 0 JJADRO C[NH+](C)CCCN(C(=O)[C@H]1Cc2cc(F)ccc2NC1=O)C(c1ccccc1)c1ccccc1 ZINC001443149641 1066273907 /nfs/dbraw/zinc/27/39/07/1066273907.db2.gz GYCDVSGYAPYDDE-DEOSSOPVSA-N 1 0 459.565 4.506 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001546060286 1066274045 /nfs/dbraw/zinc/27/40/45/1066274045.db2.gz XTFRVYJQNDJDDY-RAKYAITLSA-N 1 0 466.674 4.894 20 0 JJADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001443166223 1066276803 /nfs/dbraw/zinc/27/68/03/1066276803.db2.gz OLDJYKHEDUVCBV-OAQYLSRUSA-N 1 0 458.393 4.590 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001454396568 1066277365 /nfs/dbraw/zinc/27/73/65/1066277365.db2.gz BSUDSPQPZUDIIJ-VGSWGCGISA-N 1 0 457.496 4.816 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399274 1066277506 /nfs/dbraw/zinc/27/75/06/1066277506.db2.gz FENDNXJOOBGAEV-AGILITTLSA-N 1 0 451.611 4.669 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399277 1066277597 /nfs/dbraw/zinc/27/75/97/1066277597.db2.gz FENDNXJOOBGAEV-FGCOXFRFSA-N 1 0 451.611 4.669 20 0 JJADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(I)cc1Cl ZINC001443186956 1066278006 /nfs/dbraw/zinc/27/80/06/1066278006.db2.gz PTFZVXKOQCJLBX-UHFFFAOYSA-N 1 0 456.755 4.669 20 0 JJADRO C[C@]12CN(C(=O)CSc3ccccc3Br)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001454405003 1066279372 /nfs/dbraw/zinc/27/93/72/1066279372.db2.gz OORPSLZWXXJIDQ-GOTSBHOMSA-N 1 0 459.453 4.912 20 0 JJADRO CCCc1c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC001454406826 1066279454 /nfs/dbraw/zinc/27/94/54/1066279454.db2.gz POSJULCROYNULV-GCJKJVERSA-N 1 0 452.002 4.514 20 0 JJADRO Cc1sc2ncnc(SCCC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C)c2c1C ZINC001454408326 1066280123 /nfs/dbraw/zinc/28/01/23/1066280123.db2.gz SSXLOACOJXZLET-UZLBHIALSA-N 1 0 454.665 4.817 20 0 JJADRO CC[C@@H](Cn1c(C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001545955574 1066280353 /nfs/dbraw/zinc/28/03/53/1066280353.db2.gz XTMPZQLBTQKXRU-VWLOTQADSA-N 1 0 496.700 4.507 20 0 JJADRO C[NH+](C)C1(C)CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001454445746 1066282856 /nfs/dbraw/zinc/28/28/56/1066282856.db2.gz PTLDPBOPVWFHNM-UHFFFAOYSA-N 1 0 457.500 4.509 20 0 JJADRO Cc1cc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)c2ccccc2n1 ZINC001361049789 1066283129 /nfs/dbraw/zinc/28/31/29/1066283129.db2.gz OSIHQCOQJQEYNX-XMMPIXPASA-N 1 0 464.658 4.783 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCOc3c(F)cccc32)CC1 ZINC001443265284 1066286985 /nfs/dbraw/zinc/28/69/85/1066286985.db2.gz LJDSVEUUULCCIU-HXUWFJFHSA-N 1 0 450.476 4.834 20 0 JJADRO Cc1cc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCC[NH+](C(C)C)C(C)C)c2ccccc2n1 ZINC001361052639 1066287741 /nfs/dbraw/zinc/28/77/41/1066287741.db2.gz UQQLTGSFBJLTIG-NLFFAJNJSA-N 1 0 464.658 4.518 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)no1 ZINC001361053192 1066288296 /nfs/dbraw/zinc/28/82/96/1066288296.db2.gz BMPCIWHXMGPBOS-MJGOQNOKSA-N 1 0 473.021 4.736 20 0 JJADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2c(C)onc2-c2ccc(Cl)cc2Cl)CC1 ZINC001454475532 1066288492 /nfs/dbraw/zinc/28/84/92/1066288492.db2.gz DDTGKFXYINABNO-UHFFFAOYSA-N 1 0 452.382 4.674 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)C[NH+](C)C)no1 ZINC001361053957 1066289704 /nfs/dbraw/zinc/28/97/04/1066289704.db2.gz WYDJHEMZTFEPCW-KRWDZBQOSA-N 1 0 461.010 4.592 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@H](C(C)C)[NH+]2CCCC2)no1 ZINC001361054710 1066290797 /nfs/dbraw/zinc/29/07/97/1066290797.db2.gz CEXHLEJKLHPJHQ-QGZVFWFLSA-N 1 0 493.475 4.822 20 0 JJADRO O=C(N=c1sccn1Cc1ccc(Cl)cc1Cl)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001443298192 1066291112 /nfs/dbraw/zinc/29/11/12/1066291112.db2.gz UOWZEAOUBQJAFJ-QGZVFWFLSA-N 1 0 456.464 4.550 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)no1 ZINC001361054859 1066291372 /nfs/dbraw/zinc/29/13/72/1066291372.db2.gz IXNTUQCDPOJECY-HUUCEWRRSA-N 1 0 493.475 4.822 20 0 JJADRO CC(C)C[NH+]1CCC(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001443309495 1066293764 /nfs/dbraw/zinc/29/37/64/1066293764.db2.gz ZLMVQEOJEWZYPJ-UHFFFAOYSA-N 1 0 455.002 4.505 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C2CCCC2)no1 ZINC001361055596 1066294451 /nfs/dbraw/zinc/29/44/51/1066294451.db2.gz ZHPBTDSTNZMPRD-UHFFFAOYSA-N 1 0 473.419 4.515 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(OC(C)C)CC1)[NH+]1CCCC1 ZINC001545956941 1066295008 /nfs/dbraw/zinc/29/50/08/1066295008.db2.gz LRZDRGHTGOPHCK-OAQYLSRUSA-N 1 0 490.490 4.976 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCC(C)CC2)no1 ZINC001361056128 1066295643 /nfs/dbraw/zinc/29/56/43/1066295643.db2.gz DEPJBBRZKJHWAL-UHFFFAOYSA-N 1 0 460.985 4.792 20 0 JJADRO CC[C@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)ccc2NC1=O ZINC001361056715 1066297057 /nfs/dbraw/zinc/29/70/57/1066297057.db2.gz AEOSHHQPFPHXHK-JWMZNBFRSA-N 1 0 463.622 4.768 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccccc3F)n2CC2CC[NH+](CCC(C)C)CC2)no1 ZINC001361056613 1066297129 /nfs/dbraw/zinc/29/71/29/1066297129.db2.gz WUMXYDDPAWLHDE-UHFFFAOYSA-N 1 0 454.594 4.775 20 0 JJADRO CC(C)(C)c1ccc(Oc2ccc(C(=O)NCC3([NH+]4CCCCC4)CCOCC3)cn2)cc1 ZINC001443359234 1066301060 /nfs/dbraw/zinc/30/10/60/1066301060.db2.gz OVDDGGOMLRYEQN-UHFFFAOYSA-N 1 0 451.611 4.936 20 0 JJADRO Cc1cc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H](C)[NH+]2CCCCC2)no1 ZINC001361063024 1066301783 /nfs/dbraw/zinc/30/17/83/1066301783.db2.gz CDLCNGXAADYJIX-SFHVURJKSA-N 1 0 457.022 4.720 20 0 JJADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(Cl)nc(N2CCCC2)c1 ZINC001443361681 1066301873 /nfs/dbraw/zinc/30/18/73/1066301873.db2.gz XVAAITBADNCOFI-UHFFFAOYSA-N 1 0 455.046 4.800 20 0 JJADRO C[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001546063298 1066302533 /nfs/dbraw/zinc/30/25/33/1066302533.db2.gz MTEVZEMXYNPEKR-FQEVSTJZSA-N 1 0 459.556 4.697 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)c(Cl)c1 ZINC001454573467 1066303071 /nfs/dbraw/zinc/30/30/71/1066303071.db2.gz DSGFDXOSUPKPCR-FHLIZLRMSA-N 1 0 458.430 4.652 20 0 JJADRO Cc1cc(CN(C)c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)no1 ZINC001361064813 1066304282 /nfs/dbraw/zinc/30/42/82/1066304282.db2.gz SMUJEISCMBSQDJ-HSZRJFAPSA-N 1 0 450.631 4.507 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)c1C ZINC001443414916 1066307852 /nfs/dbraw/zinc/30/78/52/1066307852.db2.gz VXJLJRRVSXXQOJ-UHFFFAOYSA-N 1 0 450.558 4.578 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001545958354 1066308808 /nfs/dbraw/zinc/30/88/08/1066308808.db2.gz BKCXTPYPPBBYQI-LJQANCHMSA-N 1 0 477.600 4.815 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001546063753 1066309319 /nfs/dbraw/zinc/30/93/19/1066309319.db2.gz BUBJZUCSMBQIMJ-JOCHJYFZSA-N 1 0 463.468 4.927 20 0 JJADRO Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOC(C)(C)C)cc(N2CCCC2)[nH+]1 ZINC001361073988 1066315026 /nfs/dbraw/zinc/31/50/26/1066315026.db2.gz UNTZIHBIZPRXOY-UHFFFAOYSA-N 1 0 484.048 4.597 20 0 JJADRO Cc1cc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc([S@](C)=O)cc2)cc(N2CCCC2)[nH+]1 ZINC001361078621 1066318140 /nfs/dbraw/zinc/31/81/40/1066318140.db2.gz WIMKMBYUGGGYOM-DHUJRADRSA-N 1 0 494.709 4.592 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCCC1 ZINC001545959232 1066318562 /nfs/dbraw/zinc/31/85/62/1066318562.db2.gz SEIZGCUTLCBBRI-SCTDSRPQSA-N 1 0 465.614 4.751 20 0 JJADRO CC[NH+](CC)C1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001443517458 1066322391 /nfs/dbraw/zinc/32/23/91/1066322391.db2.gz KRUFKOXLSNMYEI-GCJKJVERSA-N 1 0 452.014 4.500 20 0 JJADRO Cc1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)CCC(F)F)cc(N2CCCC2)[nH+]1 ZINC001361084753 1066323563 /nfs/dbraw/zinc/32/35/63/1066323563.db2.gz ZQJYEOZVKDHTDP-UHFFFAOYSA-N 1 0 484.595 4.917 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001361088666 1066332282 /nfs/dbraw/zinc/33/22/82/1066332282.db2.gz XUWQHHAPYBBXJD-QFIPXVFZSA-N 1 0 490.092 4.599 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001361088824 1066333245 /nfs/dbraw/zinc/33/32/45/1066333245.db2.gz LYKAQHCTDKEXRR-WIYYLYMNSA-N 1 0 472.033 4.994 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001546065921 1066337582 /nfs/dbraw/zinc/33/75/82/1066337582.db2.gz CFJSBPDYUKDZDQ-GIGWZHCTSA-N 1 0 494.728 4.812 20 0 JJADRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)C1 ZINC001443615585 1066337666 /nfs/dbraw/zinc/33/76/66/1066337666.db2.gz BWOGGWFHCVTFLQ-ICDZXHCJSA-N 1 0 454.659 4.822 20 0 JJADRO O=C(Cc1csc(-c2sccc2Br)n1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001361089753 1066337726 /nfs/dbraw/zinc/33/77/26/1066337726.db2.gz BOXKSTROFHLEQQ-CQSZACIVSA-N 1 0 454.459 4.557 20 0 JJADRO COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001454886069 1066338436 /nfs/dbraw/zinc/33/84/36/1066338436.db2.gz XSJYXNFKJFYYHS-OAQYLSRUSA-N 1 0 453.558 4.614 20 0 JJADRO O=C(Cc1ccccc1OC1CCCC1)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443627256 1066338869 /nfs/dbraw/zinc/33/88/69/1066338869.db2.gz AAWXZHUVOPWSLB-UHFFFAOYSA-N 1 0 456.030 4.532 20 0 JJADRO CCCN(C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443623612 1066339103 /nfs/dbraw/zinc/33/91/03/1066339103.db2.gz KIWPVAYYTKQCLM-ZJSXRUAMSA-N 1 0 457.659 4.578 20 0 JJADRO CC(C)COc1ccc(C(C)(C)NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001443628413 1066339599 /nfs/dbraw/zinc/33/95/99/1066339599.db2.gz IDZQBFAIUVVWCT-UHFFFAOYSA-N 1 0 458.046 4.938 20 0 JJADRO CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443629092 1066339731 /nfs/dbraw/zinc/33/97/31/1066339731.db2.gz DLOZEWBCHMSTDL-BIGNBACZSA-N 1 0 456.030 4.859 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001361091002 1066340155 /nfs/dbraw/zinc/34/01/55/1066340155.db2.gz LLVPEYSCJBXJDY-NRFANRHFSA-N 1 0 490.092 4.599 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@H](C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001361092051 1066342453 /nfs/dbraw/zinc/34/24/53/1066342453.db2.gz YYQMDLKQYQLXEU-OAQYLSRUSA-N 1 0 492.133 4.925 20 0 JJADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)c1 ZINC001443644871 1066344156 /nfs/dbraw/zinc/34/41/56/1066344156.db2.gz POXHIISEHAYNIN-UHFFFAOYSA-N 1 0 451.611 4.630 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546066710 1066345017 /nfs/dbraw/zinc/34/50/17/1066345017.db2.gz TVEKMCMIIZKOCN-FIPFOOKPSA-N 1 0 499.700 4.724 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546066712 1066345186 /nfs/dbraw/zinc/34/51/86/1066345186.db2.gz TVEKMCMIIZKOCN-NEKDWFFYSA-N 1 0 499.700 4.724 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC001545960921 1066346783 /nfs/dbraw/zinc/34/67/83/1066346783.db2.gz LXZHZUXLWGKQAY-INIZCTEOSA-N 1 0 498.416 4.826 20 0 JJADRO Cc1cccc(N(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361101484 1066351183 /nfs/dbraw/zinc/35/11/83/1066351183.db2.gz LZZRHPZDTJGDEI-HSZRJFAPSA-N 1 0 498.672 4.537 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012596 1066353748 /nfs/dbraw/zinc/35/37/48/1066353748.db2.gz PVHASTWWMYLSJM-NKKJXINNSA-N 1 0 451.611 4.588 20 0 JJADRO COC(=O)CCSCc1cccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC001443704982 1066354115 /nfs/dbraw/zinc/35/41/15/1066354115.db2.gz SVKABXQFYDNNFR-FQEVSTJZSA-N 1 0 454.636 4.765 20 0 JJADRO COc1cccc(O[C@H](C)CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001361107188 1066356528 /nfs/dbraw/zinc/35/65/28/1066356528.db2.gz PPBFXXZJEGTERG-CTUHWIOQSA-N 1 0 450.604 4.556 20 0 JJADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001455070362 1066357291 /nfs/dbraw/zinc/35/72/91/1066357291.db2.gz GZSKTDNVXACXLA-BMBTXRBNSA-N 1 0 457.574 4.564 20 0 JJADRO Cc1cccc(O[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC001361111222 1066361390 /nfs/dbraw/zinc/36/13/90/1066361390.db2.gz XXBZZZABQZIFIB-DEOSSOPVSA-N 1 0 496.744 4.637 20 0 JJADRO Cc1cccc(O[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC001361111223 1066361509 /nfs/dbraw/zinc/36/15/09/1066361509.db2.gz XXBZZZABQZIFIB-XMMPIXPASA-N 1 0 496.744 4.637 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3cccc(C)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC001361112160 1066363063 /nfs/dbraw/zinc/36/30/63/1066363063.db2.gz NIBKZPDMJGAYEY-JOCHJYFZSA-N 1 0 451.615 4.791 20 0 JJADRO Cc1ccccc1[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@@H](C)C1 ZINC001443761902 1066363528 /nfs/dbraw/zinc/36/35/28/1066363528.db2.gz REZIVFXKHJBBMZ-JLRUASKGSA-N 1 0 457.659 4.921 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)C1 ZINC001443771444 1066366038 /nfs/dbraw/zinc/36/60/38/1066366038.db2.gz PICGROBCOMSJOG-QGZVFWFLSA-N 1 0 454.412 4.988 20 0 JJADRO COC(=O)Nc1cc(C(=O)NCc2ccccc2OCCC[N@H+](C)C2CCCC2)ccc1F ZINC001361119304 1066370340 /nfs/dbraw/zinc/37/03/40/1066370340.db2.gz VXVTWRATQVFSIJ-UHFFFAOYSA-N 1 0 457.546 4.577 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361124062 1066376562 /nfs/dbraw/zinc/37/65/62/1066376562.db2.gz VUBOOABLBCWTOT-DNQXCXABSA-N 1 0 483.701 4.882 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3cnccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361124101 1066377083 /nfs/dbraw/zinc/37/70/83/1066377083.db2.gz WZFKRXWMDGBZCT-QHCPKHFHSA-N 1 0 491.684 4.836 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H]([C@H]4CCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361125744 1066379154 /nfs/dbraw/zinc/37/91/54/1066379154.db2.gz BTOGEESZTIAFAU-GOTSBHOMSA-N 1 0 483.701 4.740 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001361125917 1066380696 /nfs/dbraw/zinc/38/06/96/1066380696.db2.gz HHDIWYPWJYQCKM-RBZQAINGSA-N 1 0 483.701 4.618 20 0 JJADRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(Cc3nc(C(=O)OCC)cs3)CC2)cc1 ZINC001455294364 1066381585 /nfs/dbraw/zinc/38/15/85/1066381585.db2.gz WNXGEISTJQQFHI-UHFFFAOYSA-N 1 0 457.640 4.647 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N3CCC[C@H]([NH2+]C4CCOCC4)C3)cc2c1 ZINC001455297892 1066381616 /nfs/dbraw/zinc/38/16/16/1066381616.db2.gz AEBQYWFJJPEELF-IBGZPJMESA-N 1 0 459.612 4.622 20 0 JJADRO O=C(c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001455306833 1066382204 /nfs/dbraw/zinc/38/22/04/1066382204.db2.gz STKHJFKKUNICEZ-MRXNPFEDSA-N 1 0 450.366 4.554 20 0 JJADRO O=C(c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001455309798 1066382678 /nfs/dbraw/zinc/38/26/78/1066382678.db2.gz ZVWJEGTUNXEAKR-LSDHHAIUSA-N 1 0 455.769 4.720 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cc(C)on1)[NH+]1CCCC1 ZINC001545963116 1066383680 /nfs/dbraw/zinc/38/36/80/1066383680.db2.gz QAFYLIQNCKJBRZ-HXUWFJFHSA-N 1 0 487.446 4.823 20 0 JJADRO Cc1cc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)ccc1NC(=O)CC(C)C ZINC001443913573 1066385102 /nfs/dbraw/zinc/38/51/02/1066385102.db2.gz ITJUWURAADGZNY-OAQYLSRUSA-N 1 0 451.611 4.609 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)OC3CCCC3)n2CC[NH+]2CCSCC2)c1 ZINC001361126573 1066385417 /nfs/dbraw/zinc/38/54/17/1066385417.db2.gz VAEPHAHOVKYGCP-UHFFFAOYSA-N 1 0 473.687 4.648 20 0 JJADRO COc1ccc(-c2cncc(C(=O)NCC3([NH2+][C@@H](C)c4ccccc4)CCOCC3)c2)c(C)c1 ZINC001443929369 1066386386 /nfs/dbraw/zinc/38/63/86/1066386386.db2.gz PWECKANGOLTWOR-NRFANRHFSA-N 1 0 459.590 4.695 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([NH+](CC)CC)CC1)OC ZINC001545963333 1066387469 /nfs/dbraw/zinc/38/74/69/1066387469.db2.gz UVJLOSGOKOZLIB-FQEVSTJZSA-N 1 0 478.479 4.752 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001455418891 1066388386 /nfs/dbraw/zinc/38/83/86/1066388386.db2.gz ZNJJEYMWPLCVGJ-XMMPIXPASA-N 1 0 451.611 4.620 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCOCC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361127549 1066389045 /nfs/dbraw/zinc/38/90/45/1066389045.db2.gz LMOZANONYUOQMV-UHFFFAOYSA-N 1 0 469.674 4.638 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@](C)(O)C2CC2)c1 ZINC001361128335 1066391633 /nfs/dbraw/zinc/39/16/33/1066391633.db2.gz WRDQKYDQJZAVJS-MUUNZHRXSA-N 1 0 483.701 4.761 20 0 JJADRO CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456007 1066392594 /nfs/dbraw/zinc/39/25/94/1066392594.db2.gz MXPNIBSDIOBXKJ-RPWUZVMVSA-N 1 0 459.556 4.578 20 0 JJADRO CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)CCN1CC[NH+](CC)CC1 ZINC001443997362 1066392648 /nfs/dbraw/zinc/39/26/48/1066392648.db2.gz VXQPAAKPUFQIFG-UHFFFAOYSA-N 1 0 451.655 4.567 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)C3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361130444 1066395771 /nfs/dbraw/zinc/39/57/71/1066395771.db2.gz MPYWLHQNZZOYBB-UHFFFAOYSA-N 1 0 469.674 4.779 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361130804 1066396563 /nfs/dbraw/zinc/39/65/63/1066396563.db2.gz ROCRHPQDNMXUIF-DNVJHFABSA-N 1 0 469.674 4.634 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@H+]2CC=CCC2)c1 ZINC001361131133 1066397823 /nfs/dbraw/zinc/39/78/23/1066397823.db2.gz YZDKROSWMZPWLZ-JOCHJYFZSA-N 1 0 467.658 4.555 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361131039 1066397907 /nfs/dbraw/zinc/39/79/07/1066397907.db2.gz WBDLELSQXZZLOZ-OAQYLSRUSA-N 1 0 497.606 4.644 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361131251 1066398857 /nfs/dbraw/zinc/39/88/57/1066398857.db2.gz CMNHNSKYDDRDPQ-VWNXMTODSA-N 1 0 471.690 4.615 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCC1 ZINC001545964469 1066403355 /nfs/dbraw/zinc/40/33/55/1066403355.db2.gz FDFRDXSWCUFQIT-SFHVURJKSA-N 1 0 452.018 4.863 20 0 JJADRO CCC(CC)(CNC(=O)Cn1c(=O)sc(C)c1-c1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC001444089271 1066403740 /nfs/dbraw/zinc/40/37/40/1066403740.db2.gz GZOGXRXKNKPOQX-IBGZPJMESA-N 1 0 451.636 4.911 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001545964236 1066403871 /nfs/dbraw/zinc/40/38/71/1066403871.db2.gz AIOISMMSTGMPBX-AEFFLSMTSA-N 1 0 494.453 4.725 20 0 JJADRO Cc1ccc([C@H](Cn2c(C(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)[NH+]2CCCC2)cc1 ZINC001361134403 1066406274 /nfs/dbraw/zinc/40/62/74/1066406274.db2.gz CXKLOULEECAESV-GOTSBHOMSA-N 1 0 482.673 4.650 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H](C)c2ccc(C)cc2)n1 ZINC001361135404 1066409289 /nfs/dbraw/zinc/40/92/89/1066409289.db2.gz NNOWOOAUZDXYBE-QFIPXVFZSA-N 1 0 477.701 4.810 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545964574 1066410633 /nfs/dbraw/zinc/41/06/33/1066410633.db2.gz GYIMCVPEPVUINF-RXVVDRJESA-N 1 0 464.029 4.863 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545964575 1066410773 /nfs/dbraw/zinc/41/07/73/1066410773.db2.gz GYIMCVPEPVUINF-WIYYLYMNSA-N 1 0 464.029 4.863 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccccn1)[NH+]1CCCC1 ZINC001545964694 1066411950 /nfs/dbraw/zinc/41/19/50/1066411950.db2.gz JAFROFQQTXCNGN-FQEVSTJZSA-N 1 0 455.006 4.513 20 0 JJADRO Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001361137180 1066412333 /nfs/dbraw/zinc/41/23/33/1066412333.db2.gz YHQWDWDALFIRTH-ZCYQVOJMSA-N 1 0 496.700 4.815 20 0 JJADRO Cc1ccc([C@@H](Cn2c(C3CC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361139080 1066414376 /nfs/dbraw/zinc/41/43/76/1066414376.db2.gz FUKQGEGFPBHZNK-DHIUTWEWSA-N 1 0 482.673 4.603 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@@H]3CC3(F)F)c2)[NH+](C)C)cc1 ZINC001361139453 1066415015 /nfs/dbraw/zinc/41/50/15/1066415015.db2.gz JXLDFQFTUYAIJF-WOJBJXKFSA-N 1 0 457.573 4.998 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@H](C)C2)[NH+](C)C)cc1 ZINC001361140059 1066417196 /nfs/dbraw/zinc/41/71/96/1066417196.db2.gz UOPBWQORVRQQHK-YLJYHZDGSA-N 1 0 457.047 4.547 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001361140590 1066418024 /nfs/dbraw/zinc/41/80/24/1066418024.db2.gz DJBQYWJYAKEYSU-URXFXBBRSA-N 1 0 482.717 4.564 20 0 JJADRO Cc1ccc([C@@H](Cn2c(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001361140592 1066418838 /nfs/dbraw/zinc/41/88/38/1066418838.db2.gz DJBQYWJYAKEYSU-XUZZJYLKSA-N 1 0 482.717 4.564 20 0 JJADRO Cc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N(C)CCOC(C)(C)C)[NH+]2CCCC2)cc1 ZINC001361140659 1066418919 /nfs/dbraw/zinc/41/89/19/1066418919.db2.gz FEBULZTYUWRSGX-VWLOTQADSA-N 1 0 476.669 4.661 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CCCC[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361141608 1066420993 /nfs/dbraw/zinc/42/09/93/1066420993.db2.gz ONILNKMNWMUVMC-SHQBLQIYSA-N 1 0 469.674 4.556 20 0 JJADRO Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1I ZINC001444163048 1066422468 /nfs/dbraw/zinc/42/24/68/1066422468.db2.gz FJCFOLPSMUNKMO-QZTJIDSGSA-N 1 0 454.396 4.635 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CC[C@H](CC(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361141800 1066422642 /nfs/dbraw/zinc/42/26/42/1066422642.db2.gz QMTWFOIUCZUGMS-CRRLPVGBSA-N 1 0 483.701 4.802 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CC[C@H](CC(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361141801 1066422661 /nfs/dbraw/zinc/42/26/61/1066422661.db2.gz QMTWFOIUCZUGMS-FKIGELJASA-N 1 0 483.701 4.802 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361142203 1066423444 /nfs/dbraw/zinc/42/34/44/1066423444.db2.gz VLKMXEJAXICGLD-LOSJGSFVSA-N 1 0 494.728 4.753 20 0 JJADRO CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001444163977 1066423391 /nfs/dbraw/zinc/42/33/91/1066423391.db2.gz HASKHUBHYFRFBW-ZBLYBZFDSA-N 1 0 459.675 4.775 20 0 JJADRO C[NH+](C)CCn1ncc(C(=O)Nc2c[nH]c3ccc(Br)cc23)c1-c1ccccc1 ZINC001455716711 1066426788 /nfs/dbraw/zinc/42/67/88/1066426788.db2.gz LXWXHAAXMJKSQX-UHFFFAOYSA-N 1 0 452.356 4.608 20 0 JJADRO Cc1ccc(C)c(N2CCN(c3nnc(-c4ccccn4)n3CCC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001361145288 1066427480 /nfs/dbraw/zinc/42/74/80/1066427480.db2.gz UDZOTDPXPLKRBN-UHFFFAOYSA-N 1 0 475.685 4.792 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cccs3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361148586 1066435796 /nfs/dbraw/zinc/43/57/96/1066435796.db2.gz PJIFQBGNKBFDOF-XMMPIXPASA-N 1 0 471.696 4.609 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361148786 1066437435 /nfs/dbraw/zinc/43/74/35/1066437435.db2.gz WHYWSUODNKAAQH-OAQYLSRUSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001361148840 1066437459 /nfs/dbraw/zinc/43/74/59/1066437459.db2.gz ZAIQCEOJXLMPRX-DQEYMECFSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361151722 1066443322 /nfs/dbraw/zinc/44/33/22/1066443322.db2.gz KPMDXLDZJZWUPD-QFIPXVFZSA-N 1 0 457.663 4.596 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361151936 1066444773 /nfs/dbraw/zinc/44/47/73/1066444773.db2.gz GLDWRUZDJGKJDG-RPWUZVMVSA-N 1 0 483.701 4.703 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361152045 1066445371 /nfs/dbraw/zinc/44/53/71/1066445371.db2.gz HMCFZRJTVYVSKL-TWDDROGUSA-N 1 0 483.701 4.844 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361152496 1066446592 /nfs/dbraw/zinc/44/65/92/1066446592.db2.gz MMYUDDGRUIOJFZ-ZRZAMGCNSA-N 1 0 469.674 4.598 20 0 JJADRO CCC1([NH+]2CCC2)CCN(C(=O)c2ccccc2SCC(=O)NCC2CCCCC2)CC1 ZINC001455894762 1066447452 /nfs/dbraw/zinc/44/74/52/1066447452.db2.gz IBUDZSYITIOBCQ-UHFFFAOYSA-N 1 0 457.684 4.566 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cnc(Cl)c(Br)c3)cc2)CC1 ZINC001444349618 1066452897 /nfs/dbraw/zinc/45/28/97/1066452897.db2.gz LYBFUVHUKVXXKE-UHFFFAOYSA-N 1 0 451.796 4.528 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(CCCO)CC3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001361155302 1066453759 /nfs/dbraw/zinc/45/37/59/1066453759.db2.gz RXMNDDZZCGOHMQ-UHFFFAOYSA-N 1 0 483.701 4.727 20 0 JJADRO COc1ccc(OC(F)(F)F)c(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC001444358813 1066454324 /nfs/dbraw/zinc/45/43/24/1066454324.db2.gz YNKFZUZKLRWZBQ-UHFFFAOYSA-N 1 0 451.489 4.624 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCC(C)(C)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361156033 1066456844 /nfs/dbraw/zinc/45/68/44/1066456844.db2.gz LKDMWTMTHSLWFY-DHIUTWEWSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361158717 1066461786 /nfs/dbraw/zinc/46/17/86/1066461786.db2.gz FJAKLYROSVTILG-ARNLJNQMSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361158979 1066462601 /nfs/dbraw/zinc/46/26/01/1066462601.db2.gz KUILTYIKZQVUGB-GMAHTHKFSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cs1 ZINC001361159234 1066463795 /nfs/dbraw/zinc/46/37/95/1066463795.db2.gz SYVULZMSACOGAA-UHFFFAOYSA-N 1 0 482.698 4.792 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSC[C@@H]1C)[NH+]1CCCC1 ZINC001545967349 1066464502 /nfs/dbraw/zinc/46/45/02/1066464502.db2.gz VZQGCWNDGZJFLQ-WMZOPIPTSA-N 1 0 494.503 4.532 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C)Cc2cccs2)c1 ZINC001361159972 1066465759 /nfs/dbraw/zinc/46/57/59/1066465759.db2.gz PZFQYUSNKHVWHN-OAQYLSRUSA-N 1 0 467.683 4.945 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001444506538 1066469395 /nfs/dbraw/zinc/46/93/95/1066469395.db2.gz URLCOXAZMVIALY-HSZRJFAPSA-N 1 0 455.643 4.823 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001361162401 1066470189 /nfs/dbraw/zinc/47/01/89/1066470189.db2.gz BFKXXJGWWMNVBC-JTHBVZDNSA-N 1 0 471.715 4.928 20 0 JJADRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC001456008069 1066471078 /nfs/dbraw/zinc/47/10/78/1066471078.db2.gz JHKITWOLIOFZDC-FPOVZHCZSA-N 1 0 457.043 4.819 20 0 JJADRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC001456008086 1066471141 /nfs/dbraw/zinc/47/11/41/1066471141.db2.gz JHKITWOLIOFZDC-TZIWHRDSSA-N 1 0 457.043 4.819 20 0 JJADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001444537248 1066473266 /nfs/dbraw/zinc/47/32/66/1066473266.db2.gz AXQGBIBHQQNHAJ-INIZCTEOSA-N 1 0 459.612 4.576 20 0 JJADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001444541342 1066473510 /nfs/dbraw/zinc/47/35/10/1066473510.db2.gz MJDOJSUBVLWWJG-HNNXBMFYSA-N 1 0 455.357 4.559 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361164163 1066474836 /nfs/dbraw/zinc/47/48/36/1066474836.db2.gz XKIDCGSJCYHBOW-RJGXRXQPSA-N 1 0 471.715 4.925 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC001444566670 1066477212 /nfs/dbraw/zinc/47/72/12/1066477212.db2.gz LSRBPZSPCNIPJF-UGKGYDQZSA-N 1 0 457.640 4.628 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC001361166583 1066477614 /nfs/dbraw/zinc/47/76/14/1066477614.db2.gz YKSNPGDOYWQMOY-NRFANRHFSA-N 1 0 456.677 4.915 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc(C(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)cc1 ZINC001361166737 1066478549 /nfs/dbraw/zinc/47/85/49/1066478549.db2.gz ZZGWLCBRBWIKLN-DEOSSOPVSA-N 1 0 453.675 4.625 20 0 JJADRO Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC001361166820 1066478584 /nfs/dbraw/zinc/47/85/84/1066478584.db2.gz AJAWKEIRQWJOOS-AWVRMFGXSA-N 1 0 467.702 4.641 20 0 JJADRO O=C(CCCc1nnc(-c2ccccc2)o1)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001456033965 1066484382 /nfs/dbraw/zinc/48/43/82/1066484382.db2.gz WZZGDOXEPVFDNV-QFIPXVFZSA-N 1 0 452.986 4.884 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361171471 1066487321 /nfs/dbraw/zinc/48/73/21/1066487321.db2.gz UTTUFLDBAPIBSW-SIKLNZKXSA-N 1 0 455.578 4.540 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361171472 1066487351 /nfs/dbraw/zinc/48/73/51/1066487351.db2.gz UTTUFLDBAPIBSW-UGKGYDQZSA-N 1 0 455.578 4.540 20 0 JJADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccc(Nc2cccnc2)cc1 ZINC001444649516 1066488833 /nfs/dbraw/zinc/48/88/33/1066488833.db2.gz LYPYVVYLHNISEQ-UHFFFAOYSA-N 1 0 450.970 4.752 20 0 JJADRO O=C(CCOc1ccc(F)c(Cl)c1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001444653197 1066488920 /nfs/dbraw/zinc/48/89/20/1066488920.db2.gz SSIDPSXIFIHBTR-UHFFFAOYSA-N 1 0 455.357 4.561 20 0 JJADRO CCCc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(Br)cc3)CC2)s1 ZINC001444650227 1066488927 /nfs/dbraw/zinc/48/89/27/1066488927.db2.gz NSEOKZLEILFKKY-UHFFFAOYSA-N 1 0 451.430 4.736 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC2([NH+](C)C)CCCC2)cc1Br ZINC001361174798 1066491742 /nfs/dbraw/zinc/49/17/42/1066491742.db2.gz XCRJGWSQMJREIJ-GOSISDBHSA-N 1 0 478.504 4.832 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)o1 ZINC001361175601 1066493453 /nfs/dbraw/zinc/49/34/53/1066493453.db2.gz SCBGFVPURGEMPR-GOSISDBHSA-N 1 0 485.032 4.695 20 0 JJADRO Cc1nc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)ccc2n1Cc1ccsc1 ZINC001456051809 1066493805 /nfs/dbraw/zinc/49/38/05/1066493805.db2.gz COPHBWCGFPWPHX-UHFFFAOYSA-N 1 0 450.583 4.798 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001456057816 1066497273 /nfs/dbraw/zinc/49/72/73/1066497273.db2.gz OLTPZEAWXMZWIX-UHFFFAOYSA-N 1 0 452.549 4.759 20 0 JJADRO Cc1ccccc1-n1cc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)nn1 ZINC001456063178 1066499691 /nfs/dbraw/zinc/49/96/91/1066499691.db2.gz ZJLHWSPPOHWVDP-UHFFFAOYSA-N 1 0 458.393 4.621 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccn1-c1c(Cl)cccc1Cl ZINC001444748745 1066500653 /nfs/dbraw/zinc/50/06/53/1066500653.db2.gz PAEWJGXKFXMQGL-UHFFFAOYSA-N 1 0 458.389 4.671 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC001361181128 1066502097 /nfs/dbraw/zinc/50/20/97/1066502097.db2.gz DTMNGXYBPWALCR-IBGZPJMESA-N 1 0 451.619 4.661 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001545969049 1066502125 /nfs/dbraw/zinc/50/21/25/1066502125.db2.gz PZAONNMXHLBUCM-HYBUGGRVSA-N 1 0 479.591 4.658 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3F)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361181081 1066502510 /nfs/dbraw/zinc/50/25/10/1066502510.db2.gz PKXUROZZJFNDCR-KDURUIRLSA-N 1 0 455.578 4.510 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@@]2([NH+](C)C)CCSC2)o1 ZINC001361181077 1066502536 /nfs/dbraw/zinc/50/25/36/1066502536.db2.gz PECUYLNPPIRZII-QFIPXVFZSA-N 1 0 479.572 4.939 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC001361181866 1066504355 /nfs/dbraw/zinc/50/43/55/1066504355.db2.gz ZDEDWMMQYMRUPM-INIZCTEOSA-N 1 0 489.487 4.841 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC001456079310 1066504706 /nfs/dbraw/zinc/50/47/06/1066504706.db2.gz MBHRSSMJIWAACB-JOCHJYFZSA-N 1 0 455.046 4.593 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1Br ZINC001361183136 1066505242 /nfs/dbraw/zinc/50/52/42/1066505242.db2.gz GBNQEZONPHLLIO-UPQHMETBSA-N 1 0 464.427 4.541 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC3CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361183337 1066505583 /nfs/dbraw/zinc/50/55/83/1066505583.db2.gz JSURIWKKWXJNPK-OAQYLSRUSA-N 1 0 460.464 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCCc3ccccn3)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001361187260 1066511553 /nfs/dbraw/zinc/51/15/53/1066511553.db2.gz KPOSZAJRZUHBQU-UHFFFAOYSA-N 1 0 485.474 4.820 20 0 JJADRO O=C(c1c(Cl)nc2ccccn21)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868947 1066514835 /nfs/dbraw/zinc/51/48/35/1066514835.db2.gz UHFONFPBBXSRTG-KRWDZBQOSA-N 1 0 450.892 4.514 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)o1 ZINC001361190769 1066516168 /nfs/dbraw/zinc/51/61/68/1066516168.db2.gz RULYCNLMPDJIQM-QFIPXVFZSA-N 1 0 451.615 4.762 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001361195716 1066522606 /nfs/dbraw/zinc/52/26/06/1066522606.db2.gz FENDEKVFDDJVDP-CVAIRZPRSA-N 1 0 497.949 4.959 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)[C@H]4CCCC[C@H]43)n2CCOCC[NH+](C)C)cc1Br ZINC001361196186 1066523607 /nfs/dbraw/zinc/52/36/07/1066523607.db2.gz LIKAPJCXTWBFRR-CZTZKLFOSA-N 1 0 490.490 4.609 20 0 JJADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1sncc1Br ZINC001456151634 1066523963 /nfs/dbraw/zinc/52/39/63/1066523963.db2.gz JKTYJXVOWSVJAH-AUSIDOKSSA-N 1 0 470.436 4.612 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001361196231 1066524021 /nfs/dbraw/zinc/52/40/21/1066524021.db2.gz MESZAINUYBGGSS-ZHALLVOQSA-N 1 0 460.464 4.983 20 0 JJADRO O=C(c1ccccc1NCCc1ccc(Cl)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001444987752 1066526497 /nfs/dbraw/zinc/52/64/97/1066526497.db2.gz QAMIUVPATYPMME-UHFFFAOYSA-N 1 0 456.030 4.712 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001545971361 1066529154 /nfs/dbraw/zinc/52/91/54/1066529154.db2.gz WGNXSGVPPDDJQF-ZWKOTPCHSA-N 1 0 484.998 4.546 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361200459 1066530525 /nfs/dbraw/zinc/53/05/25/1066530525.db2.gz WZIXTIIKCLDRFW-KOSHJBKYSA-N 1 0 497.606 4.888 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(Br)sc2Br)C1 ZINC001445025041 1066530575 /nfs/dbraw/zinc/53/05/75/1066530575.db2.gz GMZPDKWOJNDYQL-CYBMUJFWSA-N 1 0 458.219 4.620 20 0 JJADRO C[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445038745 1066531859 /nfs/dbraw/zinc/53/18/59/1066531859.db2.gz XQKNYOSEGCUDMF-TUACAJSNSA-N 1 0 451.611 4.621 20 0 JJADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)cc2)C1 ZINC001445040954 1066532042 /nfs/dbraw/zinc/53/20/42/1066532042.db2.gz AOHWQGNMQCTOGD-UGKGYDQZSA-N 1 0 459.631 4.771 20 0 JJADRO C[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445038744 1066532107 /nfs/dbraw/zinc/53/21/07/1066532107.db2.gz XQKNYOSEGCUDMF-OYDLWJJNSA-N 1 0 451.611 4.621 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361202092 1066532492 /nfs/dbraw/zinc/53/24/92/1066532492.db2.gz LFZQYAJZSHYNOB-FUHWJXTLSA-N 1 0 460.464 4.983 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001361204608 1066535647 /nfs/dbraw/zinc/53/56/47/1066535647.db2.gz BQOYOGFLMDYNTP-IRPSRAIASA-N 1 0 477.649 4.985 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361205891 1066537915 /nfs/dbraw/zinc/53/79/15/1066537915.db2.gz WQSHCTCRIDJSSF-UHFFFAOYSA-N 1 0 496.622 4.823 20 0 JJADRO CC(C)C[C@H](CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)NC(=O)OC(C)(C)C ZINC001445091272 1066538493 /nfs/dbraw/zinc/53/84/93/1066538493.db2.gz PVBTWAJHMAPTQK-KCWPFWIISA-N 1 0 457.659 4.831 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 ZINC001445093872 1066539266 /nfs/dbraw/zinc/53/92/66/1066539266.db2.gz VEZWGGATRFVFCY-JOCHJYFZSA-N 1 0 458.002 4.599 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1)c1ccc(Cl)cc1 ZINC001445097533 1066539736 /nfs/dbraw/zinc/53/97/36/1066539736.db2.gz YGAWXWXXTSIVEC-QFIPXVFZSA-N 1 0 458.002 4.546 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(N(C)c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361207195 1066539766 /nfs/dbraw/zinc/53/97/66/1066539766.db2.gz MRGXPAZESVMOFC-UHFFFAOYSA-N 1 0 450.631 4.540 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CCC[NH+]2CCCC2)cc1Br ZINC001361208610 1066541353 /nfs/dbraw/zinc/54/13/53/1066541353.db2.gz BWVFHCAHLNAIJZ-UHFFFAOYSA-N 1 0 490.490 4.896 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001445229562 1066547724 /nfs/dbraw/zinc/54/77/24/1066547724.db2.gz ZZJMMEPVZUBMNQ-RDPSFJRHSA-N 1 0 451.611 4.537 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCC(C)(C)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1Br ZINC001361213257 1066548273 /nfs/dbraw/zinc/54/82/73/1066548273.db2.gz VTEVOGHYQUJWJB-HXUWFJFHSA-N 1 0 460.464 4.983 20 0 JJADRO CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC001545973104 1066549202 /nfs/dbraw/zinc/54/92/02/1066549202.db2.gz RXXIKFAOOOTEIA-HXUWFJFHSA-N 1 0 460.548 4.813 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC[NH+]2CCC(C)CC2)o1 ZINC001361214803 1066551784 /nfs/dbraw/zinc/55/17/84/1066551784.db2.gz XJXNLZKJYSANCV-IBGZPJMESA-N 1 0 469.552 4.516 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCCCC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC001361217516 1066553020 /nfs/dbraw/zinc/55/30/20/1066553020.db2.gz DRKSLFGPSCWPFV-OAQYLSRUSA-N 1 0 490.490 4.633 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCCCC3)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1Br ZINC001361217515 1066553103 /nfs/dbraw/zinc/55/31/03/1066553103.db2.gz DRKSLFGPSCWPFV-NRFANRHFSA-N 1 0 490.490 4.633 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCC[N@@H+](C)C2CCCCC2)o1 ZINC001361217755 1066553429 /nfs/dbraw/zinc/55/34/29/1066553429.db2.gz MABQGSUDYITHLF-UHFFFAOYSA-N 1 0 482.595 4.576 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccco3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001361218113 1066553809 /nfs/dbraw/zinc/55/38/09/1066553809.db2.gz KWDBFJCVKNPKHO-QFBILLFUSA-N 1 0 458.404 4.901 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccco3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001361218114 1066553925 /nfs/dbraw/zinc/55/39/25/1066553925.db2.gz KWDBFJCVKNPKHO-VQIMIIECSA-N 1 0 458.404 4.901 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccco3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001361218112 1066554019 /nfs/dbraw/zinc/55/40/19/1066554019.db2.gz KWDBFJCVKNPKHO-LPHOPBHVSA-N 1 0 458.404 4.901 20 0 JJADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)C1 ZINC001445296256 1066555933 /nfs/dbraw/zinc/55/59/33/1066555933.db2.gz JBOCIELWBKGRRP-HXUWFJFHSA-N 1 0 457.412 4.832 20 0 JJADRO O=C(c1cccc2c1OC(F)(F)O2)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220482 1066557526 /nfs/dbraw/zinc/55/75/26/1066557526.db2.gz RTNDMGJVZIOJLE-MRXNPFEDSA-N 1 0 456.411 4.535 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@H](C)C1 ZINC001456300289 1066558093 /nfs/dbraw/zinc/55/80/93/1066558093.db2.gz JTHGLMOOMOVXQC-PBHICJAKSA-N 1 0 456.439 4.984 20 0 JJADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001456298846 1066558119 /nfs/dbraw/zinc/55/81/19/1066558119.db2.gz APGWMVXYMAXIJF-INIZCTEOSA-N 1 0 457.453 4.635 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@H](C)C1 ZINC001456302705 1066558883 /nfs/dbraw/zinc/55/88/83/1066558883.db2.gz NGAZPYHHXOVBSH-KDOFPFPSSA-N 1 0 456.439 4.984 20 0 JJADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CCO1 ZINC001546081399 1066559592 /nfs/dbraw/zinc/55/95/92/1066559592.db2.gz OIRMPXCBOAGFGI-UASRBLEQSA-N 1 0 496.700 4.663 20 0 JJADRO C[C@@H]1C[NH+](CCCCNC(=O)C2(c3ccccc3Br)CCCCC2)C[C@@H](C)O1 ZINC001445345687 1066560561 /nfs/dbraw/zinc/56/05/61/1066560561.db2.gz JARJGNNZMGTRKB-RTBURBONSA-N 1 0 451.449 4.657 20 0 JJADRO Cc1ccc2nc(COc3ccc(C(=O)NCC[C@H](C)[N@H+](C)Cc4ccccc4)cc3)cn2c1 ZINC001445356349 1066561665 /nfs/dbraw/zinc/56/16/65/1066561665.db2.gz HRJGKWHYVXZSDT-QFIPXVFZSA-N 1 0 456.590 4.862 20 0 JJADRO CC[NH+]1CCN(C2CN(C(=O)c3cc(Cl)ccc3Sc3ccc(Cl)cc3)C2)CC1 ZINC001456325926 1066563199 /nfs/dbraw/zinc/56/31/99/1066563199.db2.gz VDKBGWQSVQKICP-UHFFFAOYSA-N 1 0 450.435 4.607 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCCN(C)c2ccccc2)o1 ZINC001361224490 1066563324 /nfs/dbraw/zinc/56/33/24/1066563324.db2.gz VVENITCGGLOQRU-UHFFFAOYSA-N 1 0 450.631 4.541 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](C)N(C)c2ccccc2)o1 ZINC001361225670 1066563895 /nfs/dbraw/zinc/56/38/95/1066563895.db2.gz JGOAONRCHGFEEK-OAQYLSRUSA-N 1 0 464.658 4.930 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC001361225743 1066564380 /nfs/dbraw/zinc/56/43/80/1066564380.db2.gz LCSBBOQUZIOIJW-MOPGFXCFSA-N 1 0 469.552 4.687 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)o1 ZINC001361227003 1066565349 /nfs/dbraw/zinc/56/53/49/1066565349.db2.gz DTFCYEXYMRWRQA-HFZDXXHNSA-N 1 0 469.605 4.930 20 0 JJADRO CC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCC1 ZINC001545974633 1066565361 /nfs/dbraw/zinc/56/53/61/1066565361.db2.gz CCEJINQDBVDQKF-HXUWFJFHSA-N 1 0 452.647 4.563 20 0 JJADRO Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1Br ZINC001361226970 1066565463 /nfs/dbraw/zinc/56/54/63/1066565463.db2.gz DEWIVBJEVIACGD-IBGZPJMESA-N 1 0 490.490 4.896 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2cccc(C[NH+](C)C)c2)o1 ZINC001361227131 1066565574 /nfs/dbraw/zinc/56/55/74/1066565574.db2.gz GXMYHGNBSMZMCO-AREMUKBSSA-N 1 0 451.615 4.598 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361227310 1066566024 /nfs/dbraw/zinc/56/60/24/1066566024.db2.gz JWYFEWWQRUDWRP-FQEVSTJZSA-N 1 0 490.490 4.752 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1Br ZINC001361227638 1066566439 /nfs/dbraw/zinc/56/64/39/1066566439.db2.gz RVOWEVTXCRNUDX-RTBURBONSA-N 1 0 476.463 4.506 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1Br ZINC001361227779 1066566613 /nfs/dbraw/zinc/56/66/13/1066566613.db2.gz VKCDUJVCNGINDI-SFHVURJKSA-N 1 0 476.463 4.506 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccc(F)cc4F)C3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361229741 1066569171 /nfs/dbraw/zinc/56/91/71/1066569171.db2.gz VLOAFWHDSRJSPD-AUSIDOKSSA-N 1 0 473.568 4.679 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@H](c4ccc(F)cc4F)C3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361229742 1066569199 /nfs/dbraw/zinc/56/91/99/1066569199.db2.gz VLOAFWHDSRJSPD-CVDCTZTESA-N 1 0 473.568 4.679 20 0 JJADRO O=C(Nc1ccc(I)cn1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001456364137 1066571667 /nfs/dbraw/zinc/57/16/67/1066571667.db2.gz WZACXGABXNKFPB-VQTJNVASSA-N 1 0 475.374 4.563 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC2([NH+](C)C)CCCC2)cc1Br ZINC001361232629 1066573249 /nfs/dbraw/zinc/57/32/49/1066573249.db2.gz RJUQHSNMRWYNMU-APWZRJJASA-N 1 0 464.427 4.685 20 0 JJADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC001445461841 1066573790 /nfs/dbraw/zinc/57/37/90/1066573790.db2.gz NVEQAHHCLVYTMC-FQEVSTJZSA-N 1 0 453.465 4.660 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001361235284 1066575367 /nfs/dbraw/zinc/57/53/67/1066575367.db2.gz UDHKWONCEBDVMK-MYIHVTGJSA-N 1 0 466.674 4.577 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCNc2ccc(-c3ccccc3)nn2)c1 ZINC001445481598 1066575966 /nfs/dbraw/zinc/57/59/66/1066575966.db2.gz YPCKYYLSKLZXCI-UHFFFAOYSA-N 1 0 451.574 4.618 20 0 JJADRO Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCCC[NH+]3CCCCC3)[C@@H]2c2cccs2)cc1 ZINC001456397992 1066578724 /nfs/dbraw/zinc/57/87/24/1066578724.db2.gz BDFWWWCNTZWOLN-WIOPSUGQSA-N 1 0 453.652 4.923 20 0 JJADRO Cc1ccc(Oc2ccc(C(=O)NCCCOC3CC[NH+](Cc4ccccc4)CC3)cc2)nc1 ZINC001445513925 1066579106 /nfs/dbraw/zinc/57/91/06/1066579106.db2.gz NKLKWCYNBMYMOF-UHFFFAOYSA-N 1 0 459.590 4.983 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001445522336 1066580919 /nfs/dbraw/zinc/58/09/19/1066580919.db2.gz GEEMAFBCPQQRQA-XQUALCHDSA-N 1 0 455.643 4.583 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001445522332 1066580995 /nfs/dbraw/zinc/58/09/95/1066580995.db2.gz GEEMAFBCPQQRQA-LWSSLDFYSA-N 1 0 455.643 4.583 20 0 JJADRO O=C(CSCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001445527777 1066583125 /nfs/dbraw/zinc/58/31/25/1066583125.db2.gz URMNZMUBNQLDQX-GMAHTHKFSA-N 1 0 457.039 4.769 20 0 JJADRO Cc1csc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1I ZINC001456439236 1066586408 /nfs/dbraw/zinc/58/64/08/1066586408.db2.gz GYPMFHRDVYFLPP-AWEZNQCLSA-N 1 0 454.377 4.617 20 0 JJADRO Cc1ccc(CCn2c(N3CC[NH+](CCC(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245423 1066586982 /nfs/dbraw/zinc/58/69/82/1066586982.db2.gz OJQBHBPSEJXCIX-LJAQVGFWSA-N 1 0 497.728 4.736 20 0 JJADRO CC(C)n1cc(Br)cc1C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001545976579 1066587407 /nfs/dbraw/zinc/58/74/07/1066587407.db2.gz RZACUAXQDVZNFL-LJQANCHMSA-N 1 0 456.388 4.727 20 0 JJADRO CCCc1nc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nn1-c1ccccc1Cl ZINC001445566973 1066588462 /nfs/dbraw/zinc/58/84/62/1066588462.db2.gz KWNWHYAZFYMOTB-LJQANCHMSA-N 1 0 458.050 4.990 20 0 JJADRO Cc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1I ZINC001445569173 1066589186 /nfs/dbraw/zinc/58/91/86/1066589186.db2.gz RAMYOXXWXLAPSG-KRWDZBQOSA-N 1 0 454.396 4.716 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001456448481 1066589451 /nfs/dbraw/zinc/58/94/51/1066589451.db2.gz WSARXVGKOHWLBF-GBXCKJPGSA-N 1 0 451.611 4.637 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001456448488 1066589570 /nfs/dbraw/zinc/58/95/70/1066589570.db2.gz WSARXVGKOHWLBF-RDPSFJRHSA-N 1 0 451.611 4.637 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546082754 1066594793 /nfs/dbraw/zinc/59/47/93/1066594793.db2.gz CCNXITCNYVLTGJ-NXQMDHLFSA-N 1 0 487.645 4.927 20 0 JJADRO COc1ccc(C[C@H](C)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1OC ZINC001361253479 1066601080 /nfs/dbraw/zinc/60/10/80/1066601080.db2.gz WCBBYVSLIWLCIU-ODTCIBSJSA-N 1 0 472.629 4.841 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361257672 1066606244 /nfs/dbraw/zinc/60/62/44/1066606244.db2.gz GDYBDFRUVBWALQ-VXKWHMMOSA-N 1 0 465.642 4.603 20 0 JJADRO CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001445699110 1066606392 /nfs/dbraw/zinc/60/63/92/1066606392.db2.gz IZMPLCRZOFEVMR-ZHZWEFHYSA-N 1 0 451.438 4.905 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC001361258268 1066607513 /nfs/dbraw/zinc/60/75/13/1066607513.db2.gz QXOHKUNNFGORCZ-FQEVSTJZSA-N 1 0 472.033 4.561 20 0 JJADRO CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC001445705294 1066607646 /nfs/dbraw/zinc/60/76/46/1066607646.db2.gz UNMWRCPGSIKTSM-UGKGYDQZSA-N 1 0 454.590 4.789 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C[NH+]2CCCC2)o1 ZINC001361261265 1066612348 /nfs/dbraw/zinc/61/23/48/1066612348.db2.gz MWZQVZIWJOLRLL-UHFFFAOYSA-N 1 0 455.578 4.656 20 0 JJADRO Cc1ccc(CN(Cc2ccco2)c2nnc(C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC001361261538 1066613621 /nfs/dbraw/zinc/61/36/21/1066613621.db2.gz FADAPWNQQYVAFB-ROUUACIJSA-N 1 0 457.644 4.644 20 0 JJADRO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C)c1 ZINC001361263618 1066616695 /nfs/dbraw/zinc/61/66/95/1066616695.db2.gz GXOYRJOFHGWLSK-QHCPKHFHSA-N 1 0 480.701 4.562 20 0 JJADRO Cc1cccc(-n2ncc(C(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@H]3C)c2C(F)(F)F)c1 ZINC001456544604 1066620673 /nfs/dbraw/zinc/62/06/73/1066620673.db2.gz CFZZPOZEOYNEGB-LJQANCHMSA-N 1 0 456.512 4.936 20 0 JJADRO CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCCC2)CCO1 ZINC001546083246 1066623883 /nfs/dbraw/zinc/62/38/83/1066623883.db2.gz KZZQQTAWLGGIGB-NVQXNPDNSA-N 1 0 455.647 4.526 20 0 JJADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001361276593 1066634153 /nfs/dbraw/zinc/63/41/53/1066634153.db2.gz DVOLZQDZZHFVRX-JSRJAPPDSA-N 1 0 451.449 4.558 20 0 JJADRO Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(OCC(F)(F)F)c1 ZINC001361277637 1066635427 /nfs/dbraw/zinc/63/54/27/1066635427.db2.gz ZEZRFXGCKNBTJA-UHFFFAOYSA-N 1 0 488.558 4.558 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC([NH2+]C(C)C)CC1)Oc1cccc(F)c1 ZINC001545980046 1066639606 /nfs/dbraw/zinc/63/96/06/1066639606.db2.gz NCKBZPVEEZOOKA-QFIPXVFZSA-N 1 0 466.605 4.612 20 0 JJADRO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)s1 ZINC001361285188 1066643825 /nfs/dbraw/zinc/64/38/25/1066643825.db2.gz SCUBTYFVCCJYHV-WMZHIEFXSA-N 1 0 469.703 4.538 20 0 JJADRO CC(C)[N@@H+]1CC[C@H](C(=O)O[C@H]2CCOc3cc(Cl)cc(Cl)c32)[C@@H](c2cnn(C)c2)C1 ZINC001361288026 1066646303 /nfs/dbraw/zinc/64/63/03/1066646303.db2.gz GFBGXGGEVNALJX-SCTDSRPQSA-N 1 0 452.382 4.608 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(-c2cccn2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001492598945 1066649073 /nfs/dbraw/zinc/64/90/73/1066649073.db2.gz RXDRDBWNTBJAFB-XMMPIXPASA-N 1 0 464.658 4.618 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)CCc1ccc(Br)cc1)[NH+]1CCCC1 ZINC001545980505 1066649311 /nfs/dbraw/zinc/64/93/11/1066649311.db2.gz VQBZEKKJTOHNGA-JOCHJYFZSA-N 1 0 497.485 4.964 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492601768 1066656341 /nfs/dbraw/zinc/65/63/41/1066656341.db2.gz JDNWZIDRQOAASE-SZPZYZBQSA-N 1 0 471.690 4.578 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(Cc2ccsc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001492601866 1066657062 /nfs/dbraw/zinc/65/70/62/1066657062.db2.gz JFUKEZCWUVWFTN-RBBKRZOGSA-N 1 0 467.683 4.874 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492602327 1066658321 /nfs/dbraw/zinc/65/83/21/1066658321.db2.gz QAWWKDUDZBROCH-QURRFSBHSA-N 1 0 469.674 4.854 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCCO2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492602552 1066658435 /nfs/dbraw/zinc/65/84/35/1066658435.db2.gz UVHCERJSPMOPEZ-HWBMXIPRSA-N 1 0 469.674 4.711 20 0 JJADRO CC1=CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001492608417 1066668948 /nfs/dbraw/zinc/66/89/48/1066668948.db2.gz BTQFZFRVVCQQMY-SFHVURJKSA-N 1 0 469.431 4.713 20 0 JJADRO CC1=CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001492609867 1066671816 /nfs/dbraw/zinc/67/18/16/1066671816.db2.gz ZBNMBQBUIWQSQC-FQEVSTJZSA-N 1 0 458.448 4.984 20 0 JJADRO C[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193756 1066673345 /nfs/dbraw/zinc/67/33/45/1066673345.db2.gz NKGVDDDKHQJFOV-DWJNZPNVSA-N 1 0 455.574 4.589 20 0 JJADRO C[N@@H+]1CC[C@H](NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001446193864 1066674108 /nfs/dbraw/zinc/67/41/08/1066674108.db2.gz IUXMFSNIOPPFHT-WPFOTENUSA-N 1 0 453.558 4.569 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(F)(F)c1ccc(Br)cc1 ZINC001456732375 1066676787 /nfs/dbraw/zinc/67/67/87/1066676787.db2.gz FDYNJWXXIFNEFB-SFHVURJKSA-N 1 0 451.355 4.912 20 0 JJADRO CC1=CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001492614044 1066677721 /nfs/dbraw/zinc/67/77/21/1066677721.db2.gz RDSIFMJFIQFZPS-ZLNRFVROSA-N 1 0 486.705 4.875 20 0 JJADRO CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001492614153 1066678468 /nfs/dbraw/zinc/67/84/68/1066678468.db2.gz WFNJUHVDTNEJOU-IBGZPJMESA-N 1 0 494.467 4.821 20 0 JJADRO CC1=CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001492615219 1066680347 /nfs/dbraw/zinc/68/03/47/1066680347.db2.gz DVIAVQPTNPMTFX-MOPGFXCFSA-N 1 0 458.448 4.984 20 0 JJADRO CC1=CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001492615277 1066680580 /nfs/dbraw/zinc/68/05/80/1066680580.db2.gz HPKBETRNDYZITK-GOSISDBHSA-N 1 0 492.437 4.504 20 0 JJADRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1OCc1cscn1 ZINC001456771729 1066686167 /nfs/dbraw/zinc/68/61/67/1066686167.db2.gz OHCQZPKORCJOAR-JTSKRJEESA-N 1 0 457.621 4.605 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(C(=O)OC)c(F)cc2Br)cc1)C(C)C ZINC001456771414 1066686298 /nfs/dbraw/zinc/68/62/98/1066686298.db2.gz BYJOLHBXZQLUQH-UHFFFAOYSA-N 1 0 451.336 4.857 20 0 JJADRO O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001446293214 1066686932 /nfs/dbraw/zinc/68/69/32/1066686932.db2.gz ZQVMDFZPHVFTAA-YHWJFPNBSA-N 1 0 450.579 4.567 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC=C(C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001492619944 1066688685 /nfs/dbraw/zinc/68/86/85/1066688685.db2.gz PMIJOUHFJOXFKD-NRFANRHFSA-N 1 0 451.640 4.995 20 0 JJADRO CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001545984394 1066688940 /nfs/dbraw/zinc/68/89/40/1066688940.db2.gz JKDGINCLXLPSHH-VXKWHMMOSA-N 1 0 474.694 4.646 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001492620412 1066689902 /nfs/dbraw/zinc/68/99/02/1066689902.db2.gz FHRDEDHOMODLFV-GMKZXUHWSA-N 1 0 497.663 4.880 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001492620413 1066690022 /nfs/dbraw/zinc/69/00/22/1066690022.db2.gz FHRDEDHOMODLFV-JRFVFWCSSA-N 1 0 497.663 4.880 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCC[N@@H+](C)C(C)C)C2)c1 ZINC001492620628 1066690703 /nfs/dbraw/zinc/69/07/03/1066690703.db2.gz IRFLUNLQPCCEDR-JOCHJYFZSA-N 1 0 456.038 4.675 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)C2)c1 ZINC001492620483 1066690832 /nfs/dbraw/zinc/69/08/32/1066690832.db2.gz GSSFVEWRPFKZRL-RPWUZVMVSA-N 1 0 479.673 4.722 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCCCCC[NH+]3CCCC3)C2)c1 ZINC001492621150 1066691377 /nfs/dbraw/zinc/69/13/77/1066691377.db2.gz UFFOVHSPILYBLP-HSZRJFAPSA-N 1 0 455.695 4.968 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(Cl)cc(Br)c2F)cc1 ZINC001446349261 1066695020 /nfs/dbraw/zinc/69/50/20/1066695020.db2.gz IRNBDAJPJAHQDL-GOSISDBHSA-N 1 0 455.755 4.817 20 0 JJADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001446375197 1066697754 /nfs/dbraw/zinc/69/77/54/1066697754.db2.gz GSTVTXFVUYYVOU-UHFFFAOYSA-N 1 0 456.700 4.662 20 0 JJADRO CC[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1)[NH+]1CCCC1 ZINC001545985165 1066698449 /nfs/dbraw/zinc/69/84/49/1066698449.db2.gz WHUQJOGBDVOTHU-FPOVZHCZSA-N 1 0 470.628 4.521 20 0 JJADRO O=C(NCc1cc2cccnc2cc1Br)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001446435551 1066705710 /nfs/dbraw/zinc/70/57/10/1066705710.db2.gz SDTUVXCUGNXGIG-JOCHJYFZSA-N 1 0 456.359 4.807 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(OC(C)C)c1)[NH+]1CCCC1 ZINC001545986199 1066706787 /nfs/dbraw/zinc/70/67/87/1066706787.db2.gz ASGRVMOUCNZVCO-VWNXMTODSA-N 1 0 455.647 4.818 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(CC)C1)[NH+]1CCCC1 ZINC001545986318 1066707538 /nfs/dbraw/zinc/70/75/38/1066707538.db2.gz CVJYISPATZAVDT-LOYIFYEOSA-N 1 0 488.721 4.893 20 0 JJADRO Cc1cnc([C@@H](C)Cn2c(N3CC[NH+](CCc4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001492632403 1066710352 /nfs/dbraw/zinc/71/03/52/1066710352.db2.gz DHQCODLNGVVDTP-IBGZPJMESA-N 1 0 452.672 4.509 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001546085380 1066711217 /nfs/dbraw/zinc/71/12/17/1066711217.db2.gz KHWHCRGRRXTXJX-OAQYLSRUSA-N 1 0 482.492 4.650 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(C(C)C)n3CC[N@H+](C)Cc3ccc(F)cc3)CC2)s1 ZINC001492632686 1066711452 /nfs/dbraw/zinc/71/14/52/1066711452.db2.gz KITOESKKOYQMGU-UHFFFAOYSA-N 1 0 456.635 4.822 20 0 JJADRO C[C@@H](C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001456892528 1066715808 /nfs/dbraw/zinc/71/58/08/1066715808.db2.gz YLSYVEAGVQKBCJ-XUZZJYLKSA-N 1 0 457.659 4.626 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(Cc4ccccc4F)n3CC(C)(C)C[NH+](C)C)CC2)s1 ZINC001492634066 1066716068 /nfs/dbraw/zinc/71/60/68/1066716068.db2.gz ZVAMKBDCBWTNGV-UHFFFAOYSA-N 1 0 470.662 4.745 20 0 JJADRO CC(C)(C)C(=O)NCCCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446527628 1066716086 /nfs/dbraw/zinc/71/60/86/1066716086.db2.gz LFHGCTFGEWHNEO-DEOSSOPVSA-N 1 0 456.030 4.516 20 0 JJADRO C[N@@H+]1CCN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)C2(CCCCC2)C1 ZINC001456911279 1066719496 /nfs/dbraw/zinc/71/94/96/1066719496.db2.gz KLLPMCGROOBYBT-UHFFFAOYSA-N 1 0 454.459 4.654 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001456914828 1066720138 /nfs/dbraw/zinc/72/01/38/1066720138.db2.gz OVAIHPJDQLOPJR-KKUQBAQOSA-N 1 0 477.649 4.678 20 0 JJADRO Cc1c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cnn1-c1ccc(Br)cc1 ZINC001446563239 1066720710 /nfs/dbraw/zinc/72/07/10/1066720710.db2.gz DQCVMUKZCAXIPB-UHFFFAOYSA-N 1 0 459.432 4.671 20 0 JJADRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC001446567676 1066721812 /nfs/dbraw/zinc/72/18/12/1066721812.db2.gz NWYXNNQDRPSTNV-XMMPIXPASA-N 1 0 455.643 4.636 20 0 JJADRO Cc1ccc([C@H](Cn2ccnc2)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585798 1066724135 /nfs/dbraw/zinc/72/41/35/1066724135.db2.gz RABJHFIPOAHHLX-ZEQRLZLVSA-N 1 0 452.549 4.515 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cs1 ZINC001446615844 1066726087 /nfs/dbraw/zinc/72/60/87/1066726087.db2.gz NXRCMUGEKKHPJV-WWDZGPRUSA-N 1 0 450.649 4.502 20 0 JJADRO O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001446709190 1066732987 /nfs/dbraw/zinc/73/29/87/1066732987.db2.gz HXYHJPOJGCUNKV-UHFFFAOYSA-N 1 0 454.998 4.536 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001492641605 1066734781 /nfs/dbraw/zinc/73/47/81/1066734781.db2.gz HOGVRQFIJKDWMR-QHAWAJNXSA-N 1 0 488.746 4.903 20 0 JJADRO Cc1csc([C@@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCC[N@@H+](C)C(C)C)CCO2)n1 ZINC001492641580 1066735011 /nfs/dbraw/zinc/73/50/11/1066735011.db2.gz MMAIAYLYORRWBV-FQEVSTJZSA-N 1 0 475.062 4.672 20 0 JJADRO O=C(COc1ccc(F)c(Cl)c1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981423 1066735378 /nfs/dbraw/zinc/73/53/78/1066735378.db2.gz GJNCYLWPZYRFEN-KRWDZBQOSA-N 1 0 458.883 4.771 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+](C)C2CCCCC2)CCO1 ZINC001546085993 1066737527 /nfs/dbraw/zinc/73/75/27/1066737527.db2.gz WUZCTVIBZKZLEG-RUZDIDTESA-N 1 0 477.600 4.816 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(C(C)C)n3C[C@@H](c3ccc(F)cc3)[NH+](C)C)C2)n1 ZINC001492643125 1066738348 /nfs/dbraw/zinc/73/83/48/1066738348.db2.gz ZFPZHWQZULUQNE-CTNGQTDRSA-N 1 0 456.635 4.992 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(OC)cc1OCCC(C)C ZINC001457008703 1066740516 /nfs/dbraw/zinc/74/05/16/1066740516.db2.gz JYOAVLOIOMKRDX-UHFFFAOYSA-N 1 0 455.599 4.523 20 0 JJADRO CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)OC1CCCC1)[NH+]1CCCC1 ZINC001545989860 1066745156 /nfs/dbraw/zinc/74/51/56/1066745156.db2.gz LJAZNQHZOPPCMU-NRFANRHFSA-N 1 0 490.693 4.577 20 0 JJADRO CCCOc1nc(C)ccc1C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001446826235 1066745580 /nfs/dbraw/zinc/74/55/80/1066745580.db2.gz XRQOQSNZTOJXOF-UHFFFAOYSA-N 1 0 458.606 4.796 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ncc(Br)s2)cc1)C[C@@H]1CCCCO1 ZINC001446841218 1066746709 /nfs/dbraw/zinc/74/67/09/1066746709.db2.gz XWYISIFDAKFKJV-KRWDZBQOSA-N 1 0 452.418 4.937 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001446840614 1066746815 /nfs/dbraw/zinc/74/68/15/1066746815.db2.gz WANXPCHISPTKLK-PMVMPFDFSA-N 1 0 459.631 4.565 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001492647419 1066751524 /nfs/dbraw/zinc/75/15/24/1066751524.db2.gz LLVSDMYFVAIBJV-HXUWFJFHSA-N 1 0 471.646 4.515 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001492647709 1066752528 /nfs/dbraw/zinc/75/25/28/1066752528.db2.gz UQDSUIITDAQTRH-OALUTQOASA-N 1 0 473.712 4.825 20 0 JJADRO Cc1csc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[NH+](C)C)c1 ZINC001492648485 1066754677 /nfs/dbraw/zinc/75/46/77/1066754677.db2.gz XWFDEQNJTUIJST-INIZCTEOSA-N 1 0 478.460 4.576 20 0 JJADRO Cc1csc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001492649362 1066756482 /nfs/dbraw/zinc/75/64/82/1066756482.db2.gz ZHVHKALFRJIDJH-GOSISDBHSA-N 1 0 475.062 4.805 20 0 JJADRO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545990777 1066757511 /nfs/dbraw/zinc/75/75/11/1066757511.db2.gz YFNOPCORUYCSGB-JTHBVZDNSA-N 1 0 487.664 4.727 20 0 JJADRO Cc1csc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC([NH2+]C(C)C)CC2)n1 ZINC001492649811 1066757494 /nfs/dbraw/zinc/75/74/94/1066757494.db2.gz PNSOTBVBROTGCO-UHFFFAOYSA-N 1 0 493.450 4.627 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001457094937 1066760186 /nfs/dbraw/zinc/76/01/86/1066760186.db2.gz LCZZHECKPAPKGO-KOSHJBKYSA-N 1 0 451.014 4.842 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001546087384 1066766379 /nfs/dbraw/zinc/76/63/79/1066766379.db2.gz LEDGIWYIAHZSMX-DEOSSOPVSA-N 1 0 461.054 4.655 20 0 JJADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001457117836 1066766511 /nfs/dbraw/zinc/76/65/11/1066766511.db2.gz CRIDQAQGJKQIAJ-OAHLLOKOSA-N 1 0 454.459 4.557 20 0 JJADRO Cc1nc(C)c(CCn2c(N3CCC[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001492657274 1066770528 /nfs/dbraw/zinc/77/05/28/1066770528.db2.gz QLBBRENABDZGFC-UHFFFAOYSA-N 1 0 452.672 4.604 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001447103037 1066773301 /nfs/dbraw/zinc/77/33/01/1066773301.db2.gz LJQZJJUCOGLUBJ-NEYJZJCJSA-N 1 0 468.013 4.672 20 0 JJADRO C[N@H+](CCC(=O)NCCOc1c(Cl)cc(Br)cc1Cl)C1CCCCC1 ZINC001447113048 1066775520 /nfs/dbraw/zinc/77/55/20/1066775520.db2.gz ZJPDAKFRTUKYEV-UHFFFAOYSA-N 1 0 452.220 4.906 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001492661646 1066780804 /nfs/dbraw/zinc/78/08/04/1066780804.db2.gz KQQAFSNDTUPFDX-CVEARBPZSA-N 1 0 460.598 4.594 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001492662046 1066781791 /nfs/dbraw/zinc/78/17/91/1066781791.db2.gz PJRPBFNJITWBKO-JTSKRJEESA-N 1 0 458.651 4.947 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2C[C@H](C)C[NH+]2CCCC2)cs1 ZINC001492662458 1066782393 /nfs/dbraw/zinc/78/23/93/1066782393.db2.gz UBYHGNJWXITKLI-IAGOWNOFSA-N 1 0 474.625 4.841 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2CC[N@H+](C)C2CCCC2)cs1 ZINC001492662671 1066782857 /nfs/dbraw/zinc/78/28/57/1066782857.db2.gz WUXHIMGZFSMDOD-KRWDZBQOSA-N 1 0 456.635 4.845 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n2CC(C)C)cs1 ZINC001492663767 1066784082 /nfs/dbraw/zinc/78/40/82/1066784082.db2.gz JFZRTJIIRNLVKQ-XXBNENTESA-N 1 0 452.672 4.779 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001492664486 1066785105 /nfs/dbraw/zinc/78/51/05/1066785105.db2.gz LEVYFRDEJKTVJM-QZTJIDSGSA-N 1 0 473.716 4.595 20 0 JJADRO Cc1ccc(O)c(NC(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001447272143 1066786857 /nfs/dbraw/zinc/78/68/57/1066786857.db2.gz DLJKOBLYBUPDIV-UHFFFAOYSA-N 1 0 453.583 4.589 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cccc(F)c3)n2CCCC[N@H+]2CCC[C@H](C)C2)cs1 ZINC001492665625 1066787369 /nfs/dbraw/zinc/78/73/69/1066787369.db2.gz PLXHVIVYCYTKKZ-IBGZPJMESA-N 1 0 470.662 4.921 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001492665838 1066788463 /nfs/dbraw/zinc/78/84/63/1066788463.db2.gz BGIXBSKOSIRGAZ-QGZVFWFLSA-N 1 0 456.660 4.682 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC001492665932 1066788947 /nfs/dbraw/zinc/78/89/47/1066788947.db2.gz CQSZYDOXOGLEMX-BXKMTCNYSA-N 1 0 456.660 4.682 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cs1 ZINC001492665934 1066789037 /nfs/dbraw/zinc/78/90/37/1066789037.db2.gz CQSZYDOXOGLEMX-OSPHWJPCSA-N 1 0 456.660 4.682 20 0 JJADRO C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001447304897 1066790087 /nfs/dbraw/zinc/79/00/87/1066790087.db2.gz GSUACKMUXNPNPG-DNRSQYFGSA-N 1 0 450.671 4.701 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001457208230 1066790450 /nfs/dbraw/zinc/79/04/50/1066790450.db2.gz SVOLDUNZDLJARN-UZLBHIALSA-N 1 0 450.410 4.701 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2C[C@H](C)C[NH+]2CCCCC2)cs1 ZINC001492666246 1066791062 /nfs/dbraw/zinc/79/10/62/1066791062.db2.gz MMJWHVWYLXNFOX-MRXNPFEDSA-N 1 0 492.615 4.810 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2CCC[NH+]2CCCCC2)cs1 ZINC001492666325 1066791077 /nfs/dbraw/zinc/79/10/77/1066791077.db2.gz PQRKSWZUWRFHJD-UHFFFAOYSA-N 1 0 477.053 4.939 20 0 JJADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc4cccc(C(F)(F)F)c4[nH]c3=O)c2)CC1 ZINC001447322769 1066792438 /nfs/dbraw/zinc/79/24/38/1066792438.db2.gz WGCREAQWZMMJEL-UHFFFAOYSA-N 1 0 458.484 4.742 20 0 JJADRO Cc1cc(NC(=O)CCCSc2ccc(Br)cc2)n(C2CC[NH+](C)CC2)n1 ZINC001457218891 1066793053 /nfs/dbraw/zinc/79/30/53/1066793053.db2.gz NRRQSPOKUNNXSK-UHFFFAOYSA-N 1 0 451.434 4.732 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC001447328560 1066793644 /nfs/dbraw/zinc/79/36/44/1066793644.db2.gz URDQGWKTPXZCPF-QFIPXVFZSA-N 1 0 456.030 4.560 20 0 JJADRO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001457231287 1066795325 /nfs/dbraw/zinc/79/53/25/1066795325.db2.gz STFCERQGXVIEQJ-URXFXBBRSA-N 1 0 458.606 4.962 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001457237556 1066796377 /nfs/dbraw/zinc/79/63/77/1066796377.db2.gz JDKAPOBMRYAYCB-ASSXEAPQSA-N 1 0 453.671 4.801 20 0 JJADRO Cc1ccc(NC(=O)c2c3c(sc2-n2cccc2)CCCC3)cc1NC(=O)CC[NH+](C)C ZINC001447339419 1066796376 /nfs/dbraw/zinc/79/63/76/1066796376.db2.gz CTGONGVANOPZFU-UHFFFAOYSA-N 1 0 450.608 4.869 20 0 JJADRO CS[C@@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)C[C@H]1[NH+]1CCCC1 ZINC001447358366 1066798000 /nfs/dbraw/zinc/79/80/00/1066798000.db2.gz AEZXLVZWYJLYPP-FGZHOGPDSA-N 1 0 455.624 4.839 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)Oc1cccc(F)c1 ZINC001545994939 1066798738 /nfs/dbraw/zinc/79/87/38/1066798738.db2.gz JFCCGNARWUMWEM-JTHBVZDNSA-N 1 0 457.638 4.786 20 0 JJADRO CC1(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC001457266441 1066799643 /nfs/dbraw/zinc/79/96/43/1066799643.db2.gz JNWPONRCMYREKO-UHFFFAOYSA-N 1 0 451.014 4.546 20 0 JJADRO Cc1nc(Cc2nnc(N(CC(C)C)C(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC001492670690 1066799979 /nfs/dbraw/zinc/79/99/79/1066799979.db2.gz ZCEGKQITBCGSRK-UHFFFAOYSA-N 1 0 467.687 4.816 20 0 JJADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1)[NH+]1CCCC1 ZINC001545995092 1066800808 /nfs/dbraw/zinc/80/08/08/1066800808.db2.gz MDBCFWTZLQTDAP-ATIYNZHBSA-N 1 0 474.093 4.578 20 0 JJADRO Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001492671636 1066802552 /nfs/dbraw/zinc/80/25/52/1066802552.db2.gz AOQIEDKOWHVMAF-QGZVFWFLSA-N 1 0 482.620 4.845 20 0 JJADRO CC1(C)CCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CC(C)(C)[NH2+]1 ZINC001457304814 1066807578 /nfs/dbraw/zinc/80/75/78/1066807578.db2.gz BVPYCPMZDIDLRZ-UHFFFAOYSA-N 1 0 458.400 4.694 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)n2CCSC(F)(F)F)cs1 ZINC001492674638 1066809747 /nfs/dbraw/zinc/80/97/47/1066809747.db2.gz FCRGEDPUEYBUEX-IBGZPJMESA-N 1 0 496.628 4.598 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)cs1 ZINC001492674658 1066809811 /nfs/dbraw/zinc/80/98/11/1066809811.db2.gz FRNKFPHPPYELGM-GBXCKJPGSA-N 1 0 488.746 4.786 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCO[C@H]2CCCC[C@@H]2C)cs1 ZINC001492674660 1066809854 /nfs/dbraw/zinc/80/98/54/1066809854.db2.gz FRNKFPHPPYELGM-RDPSFJRHSA-N 1 0 488.746 4.786 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(c4ccsc4)CC3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492675111 1066810303 /nfs/dbraw/zinc/81/03/03/1066810303.db2.gz ZXSZUEAUOOMIJA-UHFFFAOYSA-N 1 0 458.701 4.667 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccccc3OC)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001546089470 1066811325 /nfs/dbraw/zinc/81/13/25/1066811325.db2.gz PLZJASUPFZHDMK-SANMLTNESA-N 1 0 455.647 4.615 20 0 JJADRO C[C@H]1CCCN(C(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 ZINC001447469686 1066812674 /nfs/dbraw/zinc/81/26/74/1066812674.db2.gz APSPBCFTANJEGW-NZQKXSOJSA-N 1 0 451.611 4.942 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cs1 ZINC001492676465 1066813255 /nfs/dbraw/zinc/81/32/55/1066813255.db2.gz GKFJAOPAJOEIEE-ICSRJNTNSA-N 1 0 466.646 4.626 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cs1 ZINC001492676467 1066813782 /nfs/dbraw/zinc/81/37/82/1066813782.db2.gz GKFJAOPAJOEIEE-UYAOXDASSA-N 1 0 466.646 4.626 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC=C(c4ccccc4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001492676872 1066814647 /nfs/dbraw/zinc/81/46/47/1066814647.db2.gz QJYGYURCAANTBG-XMMPIXPASA-N 1 0 464.683 4.904 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC=C(c4ccccc4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001492676871 1066814722 /nfs/dbraw/zinc/81/47/22/1066814722.db2.gz QJYGYURCAANTBG-DEOSSOPVSA-N 1 0 464.683 4.904 20 0 JJADRO CC[C@H]1CN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001447501687 1066815839 /nfs/dbraw/zinc/81/58/39/1066815839.db2.gz SIVRHMLCMUPOFE-XCZPVHLTSA-N 1 0 458.602 4.812 20 0 JJADRO CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545996861 1066816787 /nfs/dbraw/zinc/81/67/87/1066816787.db2.gz FTYAAWRDRFHYQR-RPWUZVMVSA-N 1 0 496.700 4.545 20 0 JJADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457363769 1066817074 /nfs/dbraw/zinc/81/70/74/1066817074.db2.gz NJCQBVLROLQQAW-QYBDOPJKSA-N 1 0 455.599 4.652 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](C)COCc2ccccc2)cs1 ZINC001492677964 1066817211 /nfs/dbraw/zinc/81/72/11/1066817211.db2.gz OUPXZCHHCOGHGQ-OAQYLSRUSA-N 1 0 496.725 4.797 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492679488 1066821768 /nfs/dbraw/zinc/82/17/68/1066821768.db2.gz FFNFAAAYKIKHKU-NZQKXSOJSA-N 1 0 488.746 4.786 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)cs1 ZINC001492681934 1066824796 /nfs/dbraw/zinc/82/47/96/1066824796.db2.gz LFTJNUZTPLTCMX-NVQXNPDNSA-N 1 0 482.698 4.578 20 0 JJADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)/C(=C/c1cccc(Cl)c1)c1cccs1 ZINC001447580853 1066825503 /nfs/dbraw/zinc/82/55/03/1066825503.db2.gz DSLFHYOOIQJWMD-DHNIJCFSSA-N 1 0 453.007 4.825 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3c[nH]c4ccccc34)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001546090679 1066826050 /nfs/dbraw/zinc/82/60/50/1066826050.db2.gz APUQFXPKWSBYMA-SANMLTNESA-N 1 0 452.647 4.941 20 0 JJADRO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)cs1 ZINC001492684054 1066827114 /nfs/dbraw/zinc/82/71/14/1066827114.db2.gz PXUACFBVKGPTAE-ZWKOTPCHSA-N 1 0 470.712 4.705 20 0 JJADRO C[C@@H](CCNC(=O)c1ccc(I)cc1Cl)[N@H+](C)Cc1ccccc1 ZINC001457420070 1066827355 /nfs/dbraw/zinc/82/73/55/1066827355.db2.gz AFWHXTIZFJYZIA-AWEZNQCLSA-N 1 0 456.755 4.585 20 0 JJADRO C[C@@H](CCNC(=O)c1ccc(Cl)c(I)c1)[N@H+](C)Cc1ccccc1 ZINC001457420154 1066827451 /nfs/dbraw/zinc/82/74/51/1066827451.db2.gz AQNHDEUVEKIJOW-AWEZNQCLSA-N 1 0 456.755 4.585 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001492684140 1066828013 /nfs/dbraw/zinc/82/80/13/1066828013.db2.gz RYMPHNPYLNONTH-KNQAVFIVSA-N 1 0 476.760 4.866 20 0 JJADRO C[C@H](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001457421995 1066828068 /nfs/dbraw/zinc/82/80/68/1066828068.db2.gz MKGKLPBJDDJLGW-KAMZKSLDSA-N 1 0 457.659 4.972 20 0 JJADRO C[C@H](CCNC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001457424996 1066829203 /nfs/dbraw/zinc/82/92/03/1066829203.db2.gz VVSZPRHFEGNZSM-ONTLXTELSA-N 1 0 457.659 4.829 20 0 JJADRO C[C@H](CCNC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001457424993 1066829225 /nfs/dbraw/zinc/82/92/25/1066829225.db2.gz VVSZPRHFEGNZSM-KAMZKSLDSA-N 1 0 457.659 4.829 20 0 JJADRO C[C@H](CCNC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001457424990 1066829299 /nfs/dbraw/zinc/82/92/99/1066829299.db2.gz VVSZPRHFEGNZSM-BUZMGHMJSA-N 1 0 457.659 4.829 20 0 JJADRO C[C@H](CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)[NH+]1CCCCC1 ZINC001447618897 1066829653 /nfs/dbraw/zinc/82/96/53/1066829653.db2.gz IZSOSPUCFSMHEH-QGZVFWFLSA-N 1 0 458.400 4.696 20 0 JJADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc2cc(Br)ccc2s1 ZINC001447622069 1066830456 /nfs/dbraw/zinc/83/04/56/1066830456.db2.gz UQRBBOOHFQQIEA-LJQANCHMSA-N 1 0 459.409 4.551 20 0 JJADRO Cc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cs1 ZINC001492692375 1066837978 /nfs/dbraw/zinc/83/79/78/1066837978.db2.gz RXFNCOQARZCZEL-NHCUHLMSSA-N 1 0 474.719 4.515 20 0 JJADRO Cc1nc(CN2CCN(c3nnc(C4CCCC4)n3CCC[NH+](C(C)C)C(C)C)CC2)cs1 ZINC001492693898 1066839399 /nfs/dbraw/zinc/83/93/99/1066839399.db2.gz WVSAVJFWMMAFQW-UHFFFAOYSA-N 1 0 473.735 4.532 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C2CC2)[NH+](C)C)s1 ZINC001492695754 1066843356 /nfs/dbraw/zinc/84/33/56/1066843356.db2.gz MWDBTCBCKHGMCO-LJQANCHMSA-N 1 0 465.454 4.993 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC001492695890 1066844086 /nfs/dbraw/zinc/84/40/86/1066844086.db2.gz CNEYKGSFAASITO-HNNXBMFYSA-N 1 0 492.491 4.702 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCC[N@@H+](C)C(C)C)s1 ZINC001492696208 1066845794 /nfs/dbraw/zinc/84/57/94/1066845794.db2.gz XWKUNXFBQGFGJN-UHFFFAOYSA-N 1 0 483.505 4.901 20 0 JJADRO Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCCC2)s1 ZINC001492696399 1066846574 /nfs/dbraw/zinc/84/65/74/1066846574.db2.gz MJKXANYUHHYMHM-HXUWFJFHSA-N 1 0 468.671 4.922 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001457516112 1066848358 /nfs/dbraw/zinc/84/83/58/1066848358.db2.gz JNZCERUPONREES-ZCYQVOJMSA-N 1 0 463.622 4.726 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC[N@H+](C)C2CCCCC2)s1 ZINC001492697695 1066849573 /nfs/dbraw/zinc/84/95/73/1066849573.db2.gz BRIITJWSWRSHSV-UHFFFAOYSA-N 1 0 456.635 4.674 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC001492698406 1066850986 /nfs/dbraw/zinc/85/09/86/1066850986.db2.gz WOADXCFZBGCJBS-MSOLQXFVSA-N 1 0 456.635 4.530 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC001492698460 1066851561 /nfs/dbraw/zinc/85/15/61/1066851561.db2.gz YEEUBFWMGDYRSU-GOSISDBHSA-N 1 0 470.662 4.920 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC001492698585 1066852353 /nfs/dbraw/zinc/85/23/53/1066852353.db2.gz CLNYKKJKAROVOT-GOSISDBHSA-N 1 0 458.701 4.844 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)s1 ZINC001492698614 1066852407 /nfs/dbraw/zinc/85/24/07/1066852407.db2.gz DYEXTZNIMQARNA-OAQYLSRUSA-N 1 0 472.634 4.518 20 0 JJADRO CCn1cc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(=O)c2cc(Cl)ccc21 ZINC001457557015 1066860654 /nfs/dbraw/zinc/86/06/54/1066860654.db2.gz PXIQDNCVPOSLMU-GOSISDBHSA-N 1 0 451.998 4.837 20 0 JJADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccccc1OCc1ccccc1Cl ZINC001457561298 1066861320 /nfs/dbraw/zinc/86/13/20/1066861320.db2.gz HZHZLTSIIFFPBO-UHFFFAOYSA-N 1 0 457.014 4.932 20 0 JJADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)[NH+](C)C ZINC001447811357 1066864417 /nfs/dbraw/zinc/86/44/17/1066864417.db2.gz BQNLDLAROPWZJO-NTKDMRAZSA-N 1 0 451.611 4.709 20 0 JJADRO COc1ccc(CCC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(Br)c1 ZINC001457567709 1066864845 /nfs/dbraw/zinc/86/48/45/1066864845.db2.gz RFSUDFBIMYTYCC-QZTJIDSGSA-N 1 0 459.428 4.663 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(F)(F)c1cccc(Br)c1 ZINC001457568069 1066865343 /nfs/dbraw/zinc/86/53/43/1066865343.db2.gz SULWCGBECJXOCM-HZPDHXFCSA-N 1 0 451.355 4.814 20 0 JJADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2)[NH+](C)C ZINC001447818815 1066865566 /nfs/dbraw/zinc/86/55/66/1066865566.db2.gz OHTXKMCJTKDAMO-QMHKHESXSA-N 1 0 453.970 4.836 20 0 JJADRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001457569033 1066865852 /nfs/dbraw/zinc/86/58/52/1066865852.db2.gz YYRBOHXMQSXGSJ-HROJSSOGSA-N 1 0 451.014 4.780 20 0 JJADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[NH+](C)C ZINC001447824413 1066866269 /nfs/dbraw/zinc/86/62/69/1066866269.db2.gz VMCHCASGNTZJAF-VGOFRKELSA-N 1 0 457.640 4.771 20 0 JJADRO C[NH+](C)CCSc1nc(CC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cs1 ZINC001447867415 1066872325 /nfs/dbraw/zinc/87/23/25/1066872325.db2.gz KRYHOZAEJRETDI-UHFFFAOYSA-N 1 0 458.634 4.525 20 0 JJADRO COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001457594381 1066873967 /nfs/dbraw/zinc/87/39/67/1066873967.db2.gz ODMWASKRGBJTLU-UHFFFAOYSA-N 1 0 458.558 4.903 20 0 JJADRO Cc1ccccc1-c1cc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)n(CCO)n1 ZINC001457597603 1066875321 /nfs/dbraw/zinc/87/53/21/1066875321.db2.gz ZUHAFDLXQTZLGE-UHFFFAOYSA-N 1 0 454.574 4.735 20 0 JJADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447920361 1066876966 /nfs/dbraw/zinc/87/69/66/1066876966.db2.gz OBEWKFROUSUAQB-QHCPKHFHSA-N 1 0 456.542 4.751 20 0 JJADRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC001457608634 1066877427 /nfs/dbraw/zinc/87/74/27/1066877427.db2.gz FZADYJWENIBCSL-INIZCTEOSA-N 1 0 451.949 4.633 20 0 JJADRO CCO[C@@H]1COCC[C@H]1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C ZINC001457610629 1066877929 /nfs/dbraw/zinc/87/79/29/1066877929.db2.gz GUROXXLXEMTWAL-YUXAGFNASA-N 1 0 459.458 4.740 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001457614677 1066878949 /nfs/dbraw/zinc/87/89/49/1066878949.db2.gz UZLPKVZSSWBIFR-UHFFFAOYSA-N 1 0 458.578 4.685 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492717160 1066883749 /nfs/dbraw/zinc/88/37/49/1066883749.db2.gz LKPMEBGTAOWUOM-QFIPXVFZSA-N 1 0 484.073 4.950 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001492717325 1066884186 /nfs/dbraw/zinc/88/41/86/1066884186.db2.gz RECHAKPNIZPLFW-DEOSSOPVSA-N 1 0 463.674 4.570 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001492717326 1066884239 /nfs/dbraw/zinc/88/42/39/1066884239.db2.gz RECHAKPNIZPLFW-XMMPIXPASA-N 1 0 463.674 4.570 20 0 JJADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001457640230 1066889091 /nfs/dbraw/zinc/88/90/91/1066889091.db2.gz MJCFWHYMLNCMMQ-QHCPKHFHSA-N 1 0 453.583 4.666 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001448021119 1066890953 /nfs/dbraw/zinc/89/09/53/1066890953.db2.gz FKPDNORCBXRVAX-SFTDATJTSA-N 1 0 456.455 4.967 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001448021117 1066890976 /nfs/dbraw/zinc/89/09/76/1066890976.db2.gz FKPDNORCBXRVAX-RTWAWAEBSA-N 1 0 456.455 4.967 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001448070687 1066896276 /nfs/dbraw/zinc/89/62/76/1066896276.db2.gz WIMXXTCKHOFNRB-QFIPXVFZSA-N 1 0 455.480 4.990 20 0 JJADRO Cc1cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nn1-c1ccc(Cl)cc1 ZINC001448070303 1066896444 /nfs/dbraw/zinc/89/64/44/1066896444.db2.gz VRORTKFPLDFKPU-HXUWFJFHSA-N 1 0 450.892 4.886 20 0 JJADRO Cc1nc(SCC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[nH]c1Cc1ccccc1 ZINC001457684412 1066897193 /nfs/dbraw/zinc/89/71/93/1066897193.db2.gz JCATWGISFGCYDA-HXUWFJFHSA-N 1 0 454.684 4.904 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1Cn1c(C(C)C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492728075 1066897634 /nfs/dbraw/zinc/89/76/34/1066897634.db2.gz RWBQJQGJLRYOMK-UHFFFAOYSA-N 1 0 463.674 4.811 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccc(F)cc3)[NH+](C)C)C2)n1 ZINC001492731221 1066902101 /nfs/dbraw/zinc/90/21/01/1066902101.db2.gz ODYHXSANTYOWIE-BJKOFHAPSA-N 1 0 481.664 4.964 20 0 JJADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126875 1066902572 /nfs/dbraw/zinc/90/25/72/1066902572.db2.gz UOJZRFHVDWDOAD-DHIUTWEWSA-N 1 0 451.611 4.798 20 0 JJADRO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001448128703 1066902908 /nfs/dbraw/zinc/90/29/08/1066902908.db2.gz VKBJDAKYMDHPCZ-JOCHJYFZSA-N 1 0 454.412 4.739 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@@H](c2c(F)cccc2F)N(C)C)n1 ZINC001492732121 1066903721 /nfs/dbraw/zinc/90/37/21/1066903721.db2.gz JMEJGUBUEDFLHC-RXVVDRJESA-N 1 0 483.567 4.511 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001492732398 1066904589 /nfs/dbraw/zinc/90/45/89/1066904589.db2.gz OGRZDWQEBZEWHQ-CVDCTZTESA-N 1 0 481.645 4.841 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001492732397 1066904695 /nfs/dbraw/zinc/90/46/95/1066904695.db2.gz OGRZDWQEBZEWHQ-AUSIDOKSSA-N 1 0 481.645 4.841 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492732422 1066905165 /nfs/dbraw/zinc/90/51/65/1066905165.db2.gz OODIPPBAWGYRKJ-GGAORHGYSA-N 1 0 479.673 4.697 20 0 JJADRO CCn1c2cc(Br)ccc2nc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001457734315 1066906583 /nfs/dbraw/zinc/90/65/83/1066906583.db2.gz YLFIZVQJPDPJGG-MRXNPFEDSA-N 1 0 459.363 4.809 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492735970 1066909797 /nfs/dbraw/zinc/90/97/97/1066909797.db2.gz PJMAGUQFNDKASD-IBGZPJMESA-N 1 0 488.055 4.833 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492735971 1066909929 /nfs/dbraw/zinc/90/99/29/1066909929.db2.gz PJMAGUQFNDKASD-LJQANCHMSA-N 1 0 488.055 4.833 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492736409 1066911513 /nfs/dbraw/zinc/91/15/13/1066911513.db2.gz FXJYXRBQHOSGFT-OAQYLSRUSA-N 1 0 470.065 4.550 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001448238429 1066913945 /nfs/dbraw/zinc/91/39/45/1066913945.db2.gz ZXOIYHAPLAMBJR-JOCHJYFZSA-N 1 0 454.412 4.890 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC[N@H+](C)Cc2ccccc2)n1 ZINC001492740231 1066915218 /nfs/dbraw/zinc/91/52/18/1066915218.db2.gz MZZNPDRUKONWRW-QHCPKHFHSA-N 1 0 463.674 4.677 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001492740837 1066916220 /nfs/dbraw/zinc/91/62/20/1066916220.db2.gz KNCTUZIERJMPBV-DEOSSOPVSA-N 1 0 479.604 4.590 20 0 JJADRO C[NH+](C)Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)c1 ZINC001448354428 1066919046 /nfs/dbraw/zinc/91/90/46/1066919046.db2.gz NHCQCBGENMAMOP-JOCHJYFZSA-N 1 0 458.002 4.836 20 0 JJADRO C[C@H](C(=O)N1CCOc2ccc(Br)cc2C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001448354167 1066919114 /nfs/dbraw/zinc/91/91/14/1066919114.db2.gz MYBQLPMNOBTECY-GOSISDBHSA-N 1 0 457.412 4.513 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001492744993 1066920414 /nfs/dbraw/zinc/92/04/14/1066920414.db2.gz DOCVTVJEGIQXLF-JOCHJYFZSA-N 1 0 489.590 4.611 20 0 JJADRO CN(C(=O)COc1ccc2cc(Br)ccc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001457798247 1066923143 /nfs/dbraw/zinc/92/31/43/1066923143.db2.gz SYRBCBHMVCRWRS-QFIPXVFZSA-N 1 0 453.380 4.714 20 0 JJADRO CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001546005798 1066925432 /nfs/dbraw/zinc/92/54/32/1066925432.db2.gz JLJQOPXUTVLEEZ-QFIPXVFZSA-N 1 0 488.721 4.769 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3c3ccc(O)cc3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492750569 1066925437 /nfs/dbraw/zinc/92/54/37/1066925437.db2.gz BGJWJJWBEWMMSB-VWLOTQADSA-N 1 0 479.673 4.696 20 0 JJADRO CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001546005797 1066925598 /nfs/dbraw/zinc/92/55/98/1066925598.db2.gz JLJQOPXUTVLEEZ-JOCHJYFZSA-N 1 0 488.721 4.769 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3ccccc3C)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001492751149 1066925901 /nfs/dbraw/zinc/92/59/01/1066925901.db2.gz SFLKPTKOKLWOQP-ILBGXUMGSA-N 1 0 463.674 4.766 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc4c3OCCN(C(=O)OC(C)(C)C)C4)ccc21 ZINC001457826511 1066928833 /nfs/dbraw/zinc/92/88/33/1066928833.db2.gz SFAPVQZSCPKLDC-JOCHJYFZSA-N 1 0 451.567 4.617 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(Cc4ccsc4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001492758492 1066930048 /nfs/dbraw/zinc/93/00/48/1066930048.db2.gz FPXYNYZADJZIQY-XMMPIXPASA-N 1 0 483.730 4.637 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)n1 ZINC001492758716 1066931212 /nfs/dbraw/zinc/93/12/12/1066931212.db2.gz LJQMAXINLIMDRZ-FGZHOGPDSA-N 1 0 483.749 4.963 20 0 JJADRO Cc1ccc(-c2cc(C(=O)NC[C@@H](C)C[NH+](C)C)c3sc(N4CCCCC4)nc3n2)cc1 ZINC001457846564 1066931582 /nfs/dbraw/zinc/93/15/82/1066931582.db2.gz QLYMRVKFBQTVRM-GOSISDBHSA-N 1 0 451.640 4.585 20 0 JJADRO Cc1ccc(/C=C\c2cc(C(=O)NC[C@H](C)C[NH+](C)C)c3cc(Br)ccc3n2)o1 ZINC001457847232 1066932023 /nfs/dbraw/zinc/93/20/23/1066932023.db2.gz QYCUTSHSYAPXIX-VIHMKRCTSA-N 1 0 456.384 4.997 20 0 JJADRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)c2)C1 ZINC001457869128 1066933605 /nfs/dbraw/zinc/93/36/05/1066933605.db2.gz XKOWFXASSLHYHL-NMVJMZGASA-N 1 0 481.612 4.768 20 0 JJADRO Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001492775572 1066946127 /nfs/dbraw/zinc/94/61/27/1066946127.db2.gz CFBGOYIGWVFRFC-HXUWFJFHSA-N 1 0 452.416 4.761 20 0 JJADRO CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001546008417 1066946259 /nfs/dbraw/zinc/94/62/59/1066946259.db2.gz QLUOJXPUFBNKQE-FUPPJEDESA-N 1 0 490.092 4.740 20 0 JJADRO Cc1nnc(N(C)Cc2ccc(Br)s2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001492780254 1066947499 /nfs/dbraw/zinc/94/74/99/1066947499.db2.gz HNJGXDVCQQSRLX-FQEVSTJZSA-N 1 0 474.472 4.958 20 0 JJADRO Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001492783169 1066948751 /nfs/dbraw/zinc/94/87/51/1066948751.db2.gz NWNXZZBLYZMJAK-CQSZACIVSA-N 1 0 452.550 4.828 20 0 JJADRO Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492785718 1066949045 /nfs/dbraw/zinc/94/90/45/1066949045.db2.gz SLWHRKPDFVIYJT-ULDOEVFSSA-N 1 0 453.675 4.949 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)c1c[nH]c2ccc(Br)cc21)c1cccc(C(F)(F)F)c1 ZINC001457976506 1066950201 /nfs/dbraw/zinc/95/02/01/1066950201.db2.gz VUZHIGHPZZYOIK-SFHVURJKSA-N 1 0 454.290 4.982 20 0 JJADRO Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492795390 1066950998 /nfs/dbraw/zinc/95/09/98/1066950998.db2.gz VLSNXLBRCLLIOF-XOBRGWDASA-N 1 0 460.445 4.837 20 0 JJADRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Oc2ccccc2F)nc1 ZINC001448718350 1066953000 /nfs/dbraw/zinc/95/30/00/1066953000.db2.gz KYAJAKZMSYGPHD-UHFFFAOYSA-N 1 0 454.933 4.817 20 0 JJADRO Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492800911 1066953089 /nfs/dbraw/zinc/95/30/89/1066953089.db2.gz NWHKYZBVNDYUIV-AGILITTLSA-N 1 0 453.675 4.917 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546095781 1066953205 /nfs/dbraw/zinc/95/32/05/1066953205.db2.gz UDIJKZNUBYBRJJ-BVAGGSTKSA-N 1 0 457.638 4.524 20 0 JJADRO C[C@H](CC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448724626 1066953904 /nfs/dbraw/zinc/95/39/04/1066953904.db2.gz VVTLBYDCKSCCRP-WHCXKFMVSA-N 1 0 457.659 4.688 20 0 JJADRO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001492804595 1066953965 /nfs/dbraw/zinc/95/39/65/1066953965.db2.gz LHHOSXIDCKOFAH-NRFANRHFSA-N 1 0 486.705 4.635 20 0 JJADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2OC(F)F)[C@@H](C)CN1Cc1ccccc1 ZINC001458000103 1066955102 /nfs/dbraw/zinc/95/51/02/1066955102.db2.gz LNVGJCHQWXVXQX-CABCVRRESA-N 1 0 453.327 4.786 20 0 JJADRO Cc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001492834361 1066955212 /nfs/dbraw/zinc/95/52/12/1066955212.db2.gz LEEPUPLIQKGDRJ-HXUWFJFHSA-N 1 0 457.638 4.931 20 0 JJADRO C[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001458005124 1066955651 /nfs/dbraw/zinc/95/56/51/1066955651.db2.gz QDDIFQAICKIOKF-JSRBNTPPSA-N 1 0 457.659 4.972 20 0 JJADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccc(Br)cn1 ZINC001448758589 1066955722 /nfs/dbraw/zinc/95/57/22/1066955722.db2.gz UWSIOQPVBIUURB-PWIZWCRZSA-N 1 0 470.436 4.999 20 0 JJADRO Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492944947 1066961245 /nfs/dbraw/zinc/96/12/45/1066961245.db2.gz VKCSYZLERHWCKI-HSZRJFAPSA-N 1 0 490.490 4.685 20 0 JJADRO Cc1ccc(OCCC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001458058214 1066963425 /nfs/dbraw/zinc/96/34/25/1066963425.db2.gz IQXABMZHWSKUHG-TZIWHRDSSA-N 1 0 459.428 4.943 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001458057817 1066963508 /nfs/dbraw/zinc/96/35/08/1066963508.db2.gz IEDRPVYBBFCUBC-AEFFLSMTSA-N 1 0 458.393 4.605 20 0 JJADRO CC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)OC ZINC001546010353 1066967855 /nfs/dbraw/zinc/96/78/55/1066967855.db2.gz KJEAOMZACRNCAY-PKTZIBPZSA-N 1 0 469.674 4.779 20 0 JJADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001448917799 1066969550 /nfs/dbraw/zinc/96/95/50/1066969550.db2.gz CLMAIVUCRBAZTJ-UHFFFAOYSA-N 1 0 457.949 4.922 20 0 JJADRO CSc1cc(Br)ccc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001448919239 1066969609 /nfs/dbraw/zinc/96/96/09/1066969609.db2.gz GGGJYQBUWUNADM-UHFFFAOYSA-N 1 0 451.352 4.706 20 0 JJADRO CC(C)C[C@](C)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC001448930717 1066971398 /nfs/dbraw/zinc/97/13/98/1066971398.db2.gz AIWWFMNXSCSQHZ-HCPAQRILSA-N 1 0 451.449 4.718 20 0 JJADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1cccc(Br)c1 ZINC001458091571 1066971930 /nfs/dbraw/zinc/97/19/30/1066971930.db2.gz ANHPPPUINZGMDF-NRFANRHFSA-N 1 0 453.384 4.582 20 0 JJADRO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545719748 1066973516 /nfs/dbraw/zinc/97/35/16/1066973516.db2.gz LMGLQOYFJSRTIP-YHIKYWKLSA-N 1 0 494.728 4.824 20 0 JJADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(C)c1Br ZINC001458094653 1066973735 /nfs/dbraw/zinc/97/37/35/1066973735.db2.gz QAUWVIIQJQXWNG-LJQANCHMSA-N 1 0 453.384 4.962 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ncnc4cc(F)c(Br)cc43)cc2)C[C@H](C)O1 ZINC001458102418 1066976148 /nfs/dbraw/zinc/97/61/48/1066976148.db2.gz XEWSXWSGRQLTLJ-GASCZTMLSA-N 1 0 459.363 4.753 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545723521 1066979199 /nfs/dbraw/zinc/97/91/99/1066979199.db2.gz ARFPXVKAPHQQGR-ICDZXHCJSA-N 1 0 453.675 4.803 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC001449048556 1066979447 /nfs/dbraw/zinc/97/94/47/1066979447.db2.gz QKRSSLOYYYAANC-PJVKZBBJSA-N 1 0 470.657 4.957 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccccc1 ZINC001545724021 1066980053 /nfs/dbraw/zinc/98/00/53/1066980053.db2.gz KPQRNXQRTXESAD-PDTKEWMGSA-N 1 0 494.728 4.635 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCCOC2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545724781 1066981556 /nfs/dbraw/zinc/98/15/56/1066981556.db2.gz WYAJOYMAFQGAFB-SONWIMMPSA-N 1 0 453.675 4.947 20 0 JJADRO Cc1ccc(-c2noc([C@H](C)NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)cc1F ZINC001545725579 1066982438 /nfs/dbraw/zinc/98/24/38/1066982438.db2.gz YTBKYFSUPJLLHT-LPHOPBHVSA-N 1 0 458.484 4.519 20 0 JJADRO Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001458125291 1066983150 /nfs/dbraw/zinc/98/31/50/1066983150.db2.gz OUEVUKZNTXNYPC-GOSISDBHSA-N 1 0 459.377 4.963 20 0 JJADRO CCCCc1nc(C)c(CC(=O)Nc2cc(C)nn2[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001458127069 1066983580 /nfs/dbraw/zinc/98/35/80/1066983580.db2.gz ZMKBNMAZRQOREO-NRFANRHFSA-N 1 0 451.640 4.927 20 0 JJADRO COC(=O)c1cc(Br)cc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1Cl ZINC001458136779 1066985491 /nfs/dbraw/zinc/98/54/91/1066985491.db2.gz UYDRTNKVAGFLQG-UHFFFAOYSA-N 1 0 455.736 4.720 20 0 JJADRO C[NH+](C)C[C@H](CNC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)c1ccc(Cl)cc1 ZINC001449154478 1066985848 /nfs/dbraw/zinc/98/58/48/1066985848.db2.gz FDVSNVIHBTWIMO-SFHVURJKSA-N 1 0 454.977 4.619 20 0 JJADRO CC[C@@H](c1nnc(N(CC)Cc2cnn(C)c2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545728784 1066986827 /nfs/dbraw/zinc/98/68/27/1066986827.db2.gz RDSDWECOGMQHNE-XMMPIXPASA-N 1 0 463.674 4.845 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001449175402 1066987485 /nfs/dbraw/zinc/98/74/85/1066987485.db2.gz OUPMJWLGPNZMKB-DHIUTWEWSA-N 1 0 455.643 4.585 20 0 JJADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001449171577 1066987540 /nfs/dbraw/zinc/98/75/40/1066987540.db2.gz XFNBQOVXHHDJJM-AZUAARDMSA-N 1 0 454.055 4.677 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001545730937 1066989121 /nfs/dbraw/zinc/98/91/21/1066989121.db2.gz IAUBKQNVCRCDLI-ICDZXHCJSA-N 1 0 467.702 4.929 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545731248 1066990211 /nfs/dbraw/zinc/99/02/11/1066990211.db2.gz LVOHJXHTZNXRDY-NNWRFLSQSA-N 1 0 451.615 4.720 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001545731335 1066990470 /nfs/dbraw/zinc/99/04/70/1066990470.db2.gz MVXHLOYAQAANLV-XWVZOOPGSA-N 1 0 498.716 4.900 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001545731334 1066990533 /nfs/dbraw/zinc/99/05/33/1066990533.db2.gz MVXHLOYAQAANLV-SCDRESIJSA-N 1 0 498.716 4.900 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545731886 1066992026 /nfs/dbraw/zinc/99/20/26/1066992026.db2.gz URGVKZUWPCEHNQ-FPDJOHNTSA-N 1 0 453.675 4.802 20 0 JJADRO CCC(CC)(C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC001449291255 1066995767 /nfs/dbraw/zinc/99/57/67/1066995767.db2.gz VGPJBZUEMRTAPY-VWLOTQADSA-N 1 0 454.058 4.817 20 0 JJADRO CC[C@H](Cn1c(COc2ccccc2F)nnc1N(C)Cc1cc(C)cs1)[NH+]1CCCC1 ZINC001546012864 1066995996 /nfs/dbraw/zinc/99/59/96/1066995996.db2.gz QAFZQZUALFLLCF-LJQANCHMSA-N 1 0 457.619 4.877 20 0 JJADRO C[C@@H]([NH2+]C1(CNc2ncnc(C(F)(F)F)c2Br)CCOCC1)c1ccccc1 ZINC001458173938 1066996196 /nfs/dbraw/zinc/99/61/96/1066996196.db2.gz BVQRUEJCEGHMHM-CYBMUJFWSA-N 1 0 459.310 4.570 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545734128 1066996746 /nfs/dbraw/zinc/99/67/46/1066996746.db2.gz NQNXKGBZCJVMFY-GHTZIAJQSA-N 1 0 479.591 4.898 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C(C)C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545734427 1066997521 /nfs/dbraw/zinc/99/75/21/1066997521.db2.gz SGWXPMXMCGPLQG-ZKMPZPQNSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545734546 1066998136 /nfs/dbraw/zinc/99/81/36/1066998136.db2.gz VHQYDXMOIJIWLY-BWKNWUBXSA-N 1 0 495.634 4.938 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545735711 1066998974 /nfs/dbraw/zinc/99/89/74/1066998974.db2.gz FWDPQJHHZBOUPV-REWPJTCUSA-N 1 0 479.673 4.800 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001449321750 1066999284 /nfs/dbraw/zinc/99/92/84/1066999284.db2.gz GDKZXQUJVQJHED-OZNIXHKMSA-N 1 0 475.677 4.665 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)C1)[NH+]1CCCC1 ZINC001546013116 1066999702 /nfs/dbraw/zinc/99/97/02/1066999702.db2.gz UZEDCLXEFUCFRR-MRXNPFEDSA-N 1 0 474.383 4.884 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C)(COC)CC2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001545736849 1067000976 /nfs/dbraw/zinc/00/09/76/1067000976.db2.gz WCTCLCNQCXSBHX-XMMPIXPASA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](CC(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545738183 1067002206 /nfs/dbraw/zinc/00/22/06/1067002206.db2.gz DELBHZDKHZAGCV-UKILVPOCSA-N 1 0 467.702 4.928 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(CO)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545738853 1067004071 /nfs/dbraw/zinc/00/40/71/1067004071.db2.gz PGTHTMOEYCBDAL-MVERNJQCSA-N 1 0 467.702 4.787 20 0 JJADRO O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001449366169 1067004426 /nfs/dbraw/zinc/00/44/26/1067004426.db2.gz YDJWHGGHLIZWBK-NOZRDPDXSA-N 1 0 459.055 4.876 20 0 JJADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)CC2)c1 ZINC001449365196 1067004558 /nfs/dbraw/zinc/00/45/58/1067004558.db2.gz FZWKDGPIJGNRRZ-QFIPXVFZSA-N 1 0 459.556 4.932 20 0 JJADRO O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001449366179 1067004655 /nfs/dbraw/zinc/00/46/55/1067004655.db2.gz YDJWHGGHLIZWBK-ZCYQVOJMSA-N 1 0 459.055 4.876 20 0 JJADRO CC[C@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC001545739402 1067004983 /nfs/dbraw/zinc/00/49/83/1067004983.db2.gz ZMHFIRKGXLKRHC-BDYUSTAISA-N 1 0 494.728 4.541 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](OC)C(C)C)c1ccccc1 ZINC001545740602 1067005511 /nfs/dbraw/zinc/00/55/11/1067005511.db2.gz ANMJEIUMYTWTBR-JWQCQUIFSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC(F)(F)Br)c1ccccc1 ZINC001545740645 1067005907 /nfs/dbraw/zinc/00/59/07/1067005907.db2.gz BHQPFGXDHLGGLK-GOSISDBHSA-N 1 0 470.406 4.775 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740633 1067005952 /nfs/dbraw/zinc/00/59/52/1067005952.db2.gz AZKUDMWSLANADR-DQEYMECFSA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545740934 1067006565 /nfs/dbraw/zinc/00/65/65/1067006565.db2.gz GPHXQVMRPPTVRE-YWEHKCAJSA-N 1 0 479.669 4.904 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545740951 1067006824 /nfs/dbraw/zinc/00/68/24/1067006824.db2.gz HBEJOCIXXWXPBA-GMKZXUHWSA-N 1 0 498.716 4.996 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545740954 1067006936 /nfs/dbraw/zinc/00/69/36/1067006936.db2.gz HBEJOCIXXWXPBA-YFNKSVMNSA-N 1 0 498.716 4.996 20 0 JJADRO C[NH+](C)CCN(Cc1ccccc1F)c1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC001458238281 1067009756 /nfs/dbraw/zinc/00/97/56/1067009756.db2.gz HFKBYGYVFKRTEW-UHFFFAOYSA-N 1 0 459.356 4.805 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001545743931 1067011082 /nfs/dbraw/zinc/01/10/82/1067011082.db2.gz TUTLGLOKNHAQTG-YNFBMLRVSA-N 1 0 450.458 4.790 20 0 JJADRO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C1CCC(C)CC1)[NH+]1CCCC1 ZINC001546014757 1067011534 /nfs/dbraw/zinc/01/15/34/1067011534.db2.gz NNCKRFGYDUYNRS-AZMQQLHVSA-N 1 0 488.721 4.938 20 0 JJADRO CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCSCC1)[NH+]1CCCC1 ZINC001546014864 1067012069 /nfs/dbraw/zinc/01/20/69/1067012069.db2.gz PFAHLTZIONGGBN-SFHVURJKSA-N 1 0 452.093 4.651 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1C[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545745567 1067012030 /nfs/dbraw/zinc/01/20/30/1067012030.db2.gz CPHAGGPPNCCYQC-ISJGIBHGSA-N 1 0 477.701 4.914 20 0 JJADRO CC[C@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545745610 1067012406 /nfs/dbraw/zinc/01/24/06/1067012406.db2.gz DDYUXIGARRGOJL-NOZRDPDXSA-N 1 0 466.718 4.720 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@](C)(OC)C2)n1CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC001545745772 1067012800 /nfs/dbraw/zinc/01/28/00/1067012800.db2.gz GNMALLRENHACIV-KCWPFWIISA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@H](Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001546015126 1067013360 /nfs/dbraw/zinc/01/33/60/1067013360.db2.gz UUWGDQHHCUFDNY-RTBURBONSA-N 1 0 481.563 4.519 20 0 JJADRO CC[C@@H](Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001546015124 1067013383 /nfs/dbraw/zinc/01/33/83/1067013383.db2.gz UUWGDQHHCUFDNY-OALUTQOASA-N 1 0 481.563 4.519 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)O)c1ccccc1 ZINC001545746274 1067013908 /nfs/dbraw/zinc/01/39/08/1067013908.db2.gz MJOOZNAHHRQOLY-LADGPHEKSA-N 1 0 453.675 4.683 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC001449565834 1067014892 /nfs/dbraw/zinc/01/48/92/1067014892.db2.gz XQRQTIKTKTXTOY-QGZVFWFLSA-N 1 0 454.442 4.705 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCCCc4c(Br)cccc43)cc2)CC1 ZINC001458263344 1067015985 /nfs/dbraw/zinc/01/59/85/1067015985.db2.gz ZKAALBFONNEMCK-UHFFFAOYSA-N 1 0 456.428 4.963 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545746911 1067016331 /nfs/dbraw/zinc/01/63/31/1067016331.db2.gz XAERNCJXOSUNPX-LYGMZBLVSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545748390 1067016865 /nfs/dbraw/zinc/01/68/65/1067016865.db2.gz AASZJDXVTQWNAR-UIOOFZCWSA-N 1 0 494.728 4.683 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545748388 1067017005 /nfs/dbraw/zinc/01/70/05/1067017005.db2.gz AASZJDXVTQWNAR-FTJBHMTQSA-N 1 0 494.728 4.683 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001545748501 1067017360 /nfs/dbraw/zinc/01/73/60/1067017360.db2.gz BHHVCAWXHVIMTN-GMKZXUHWSA-N 1 0 482.717 4.681 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001545748504 1067017417 /nfs/dbraw/zinc/01/74/17/1067017417.db2.gz BHHVCAWXHVIMTN-YFNKSVMNSA-N 1 0 482.717 4.681 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545749342 1067019673 /nfs/dbraw/zinc/01/96/73/1067019673.db2.gz MZHRYJBXIPJRQH-ZEQRLZLVSA-N 1 0 498.716 4.996 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545749341 1067019827 /nfs/dbraw/zinc/01/98/27/1067019827.db2.gz MZHRYJBXIPJRQH-RPWUZVMVSA-N 1 0 498.716 4.996 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545749502 1067020479 /nfs/dbraw/zinc/02/04/79/1067020479.db2.gz OUUHCQWKQYXXCP-XZOQPEGZSA-N 1 0 482.717 4.539 20 0 JJADRO O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC001458283237 1067021034 /nfs/dbraw/zinc/02/10/34/1067021034.db2.gz JVBINHKRCJLCQO-BHIYHBOVSA-N 1 0 456.505 4.832 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001545751508 1067024416 /nfs/dbraw/zinc/02/44/16/1067024416.db2.gz GXIWFWCYJXFALU-JBRSBNLGSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC)c1ccccc1 ZINC001545751629 1067024546 /nfs/dbraw/zinc/02/45/46/1067024546.db2.gz JDVCETDRQKGMLC-IZZNHLLZSA-N 1 0 494.728 4.779 20 0 JJADRO CC[C@H](c1nnc(N2CCCCCCC2)n1CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001545751707 1067024959 /nfs/dbraw/zinc/02/49/59/1067024959.db2.gz KEYGWIYMXXFZJX-DQEYMECFSA-N 1 0 453.675 4.827 20 0 JJADRO CC[C@H](Cn1c(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546016941 1067025350 /nfs/dbraw/zinc/02/53/50/1067025350.db2.gz LRABYYHFHUCBBG-QZTJIDSGSA-N 1 0 467.584 4.507 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@](C)(OC)C1CC1)c1ccccc1 ZINC001545751812 1067025417 /nfs/dbraw/zinc/02/54/17/1067025417.db2.gz LRQGQLWIHOANID-YIXXDRMTSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001546017187 1067026394 /nfs/dbraw/zinc/02/63/94/1067026394.db2.gz PVMQWKOFFJVGCW-KJJMTIBFSA-N 1 0 474.694 4.707 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC1CCC(OC)CC1)c1ccccc1 ZINC001545752259 1067027817 /nfs/dbraw/zinc/02/78/17/1067027817.db2.gz UBSATDCFDLCREN-DWJCEPTDSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCN(C)CC(F)(F)F)c1ccccc1 ZINC001545752582 1067028616 /nfs/dbraw/zinc/02/86/16/1067028616.db2.gz ZPTJNKIVHHQXFM-OAQYLSRUSA-N 1 0 480.623 4.625 20 0 JJADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001545753068 1067028718 /nfs/dbraw/zinc/02/87/18/1067028718.db2.gz JFYTXEJGLPWKQB-MOPGFXCFSA-N 1 0 454.423 4.615 20 0 JJADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001545753069 1067029332 /nfs/dbraw/zinc/02/93/32/1067029332.db2.gz JFYTXEJGLPWKQB-OALUTQOASA-N 1 0 454.423 4.615 20 0 JJADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001545753071 1067029417 /nfs/dbraw/zinc/02/94/17/1067029417.db2.gz JFYTXEJGLPWKQB-RTBURBONSA-N 1 0 454.423 4.615 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546099329 1067029842 /nfs/dbraw/zinc/02/98/42/1067029842.db2.gz BJSAXEMJSCBNCV-RPLLCQBOSA-N 1 0 469.674 4.681 20 0 JJADRO CC[C@H](c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001545756234 1067033333 /nfs/dbraw/zinc/03/33/33/1067033333.db2.gz DHOZFRVGVCATTJ-IRLDBZIGSA-N 1 0 492.634 4.767 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756481 1067033941 /nfs/dbraw/zinc/03/39/41/1067033941.db2.gz IPRFAQNZFMVXPP-XUZZJYLKSA-N 1 0 496.700 4.655 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001546099560 1067034023 /nfs/dbraw/zinc/03/40/23/1067034023.db2.gz HUSKXADPHUOZAN-HHHXNRCGSA-N 1 0 469.674 4.601 20 0 JJADRO CC[NH+](CC)CCN(C(=O)c1ccn(CCC(F)(F)F)n1)c1cccc(C(F)(F)F)c1 ZINC001458349548 1067039078 /nfs/dbraw/zinc/03/90/78/1067039078.db2.gz VEPIEJGYIBTIFA-UHFFFAOYSA-N 1 0 450.427 4.843 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H](OC)C(C)C)c1ccccc1 ZINC001545758704 1067040078 /nfs/dbraw/zinc/04/00/78/1067040078.db2.gz LPWRZXWSAHLASG-LOSJGSFVSA-N 1 0 453.675 4.946 20 0 JJADRO Cc1sc2ncnc(SCCC(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)c2c1C ZINC001450000486 1067040793 /nfs/dbraw/zinc/04/07/93/1067040793.db2.gz WDFSXUPPQZIJBC-UHFFFAOYSA-N 1 0 454.665 4.961 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759371 1067042223 /nfs/dbraw/zinc/04/22/23/1067042223.db2.gz XECBUDFMYWMLAI-JRFVFWCSSA-N 1 0 485.742 4.756 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545759489 1067042687 /nfs/dbraw/zinc/04/26/87/1067042687.db2.gz YQTQHGZGPVWLSL-XMMPIXPASA-N 1 0 463.674 4.583 20 0 JJADRO COc1ccccc1-c1ccc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC001458366273 1067042952 /nfs/dbraw/zinc/04/29/52/1067042952.db2.gz OCZRMGSCHOXGSL-UHFFFAOYSA-N 1 0 450.604 4.871 20 0 JJADRO COCC[NH+](CCOC)C1CCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC001458370596 1067044253 /nfs/dbraw/zinc/04/42/53/1067044253.db2.gz RIBGZJKYEMPRJD-UHFFFAOYSA-N 1 0 455.002 4.514 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001458371919 1067044385 /nfs/dbraw/zinc/04/43/85/1067044385.db2.gz WFPCALYZDBOJBV-UHFFFAOYSA-N 1 0 457.500 4.665 20 0 JJADRO CC[C@H](c1nnc(N2CCOC(C)(C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC001545763180 1067047021 /nfs/dbraw/zinc/04/70/21/1067047021.db2.gz DOUKJSBPJFAFBY-ZEQRLZLVSA-N 1 0 453.675 4.946 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001545763317 1067047233 /nfs/dbraw/zinc/04/72/33/1067047233.db2.gz GWRILWAROIMDBM-CBFLWWMCSA-N 1 0 483.701 4.571 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@](C)(CC)C2)n1CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC001545763549 1067047480 /nfs/dbraw/zinc/04/74/80/1067047480.db2.gz KBGLNUCNMAGEFX-WNCULLNHSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545763544 1067047524 /nfs/dbraw/zinc/04/75/24/1067047524.db2.gz JYWNUWQAQPNEBI-JCTONOIOSA-N 1 0 451.615 4.721 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3cc(Cl)nc4ccccc43)cc2)C[C@H]1C ZINC001458389071 1067048709 /nfs/dbraw/zinc/04/87/09/1067048709.db2.gz ACIFQNUPNRXQMB-KDURUIRLSA-N 1 0 451.998 4.827 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545764322 1067048898 /nfs/dbraw/zinc/04/88/98/1067048898.db2.gz UFFQBBYJCRKQNF-UBFVSLLYSA-N 1 0 483.701 4.571 20 0 JJADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C(C)(C)Oc3cccc(Cl)c3)cc2)C[C@@H]1C ZINC001458389862 1067049225 /nfs/dbraw/zinc/04/92/25/1067049225.db2.gz DEDBFJQYUWRHGQ-PMACEKPBSA-N 1 0 459.030 4.823 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001546100179 1067049483 /nfs/dbraw/zinc/04/94/83/1067049483.db2.gz UNOLRWHOIYNYGZ-UXWDXCIHSA-N 1 0 483.701 4.847 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001450114020 1067050462 /nfs/dbraw/zinc/05/04/62/1067050462.db2.gz KCTRZBKLUAEELJ-ISKFKSNPSA-N 1 0 459.675 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545765450 1067050487 /nfs/dbraw/zinc/05/04/87/1067050487.db2.gz BEEALFRHTABMRR-MFYODDQASA-N 1 0 453.675 4.539 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001450114031 1067050602 /nfs/dbraw/zinc/05/06/02/1067050602.db2.gz KCTRZBKLUAEELJ-UPVQGACJSA-N 1 0 459.675 4.681 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)C[C@H]1C ZINC001458396264 1067050766 /nfs/dbraw/zinc/05/07/66/1067050766.db2.gz NVHWQMCJHXLPQV-CALCHBBNSA-N 1 0 452.492 4.784 20 0 JJADRO CSc1ccc([C@H](CNC(=O)CSc2ccc(Br)cc2C)[NH+](C)C)cc1 ZINC001450129842 1067052055 /nfs/dbraw/zinc/05/20/55/1067052055.db2.gz NWBUSKHIUCZYRJ-SFHVURJKSA-N 1 0 453.471 4.991 20 0 JJADRO CCC(CC)(Cn1c(C(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545769452 1067054871 /nfs/dbraw/zinc/05/48/71/1067054871.db2.gz AQKZIASIXDJCEG-HXUWFJFHSA-N 1 0 462.683 4.550 20 0 JJADRO CC(=O)Nc1cc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1C ZINC001450160464 1067056616 /nfs/dbraw/zinc/05/66/16/1067056616.db2.gz ZIPUWEXCFOHNET-SANMLTNESA-N 1 0 456.590 4.655 20 0 JJADRO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)SC ZINC001545770941 1067056806 /nfs/dbraw/zinc/05/68/06/1067056806.db2.gz AISSJLZQGXLTRD-FUHWJXTLSA-N 1 0 495.535 4.641 20 0 JJADRO CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)OC ZINC001545771449 1067058459 /nfs/dbraw/zinc/05/84/59/1067058459.db2.gz PLXWDSDZAUCLEY-LEWJYISDSA-N 1 0 473.637 4.827 20 0 JJADRO CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)SC ZINC001545771583 1067059232 /nfs/dbraw/zinc/05/92/32/1067059232.db2.gz TYDAGBIQOPPJME-WBVHZDCISA-N 1 0 481.508 4.630 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001450230802 1067062102 /nfs/dbraw/zinc/06/21/02/1067062102.db2.gz ZAHZOCQWRKCNJJ-XZOQPEGZSA-N 1 0 455.643 4.585 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448991 1067063847 /nfs/dbraw/zinc/06/38/47/1067063847.db2.gz QVPFNPVUFCDQPL-MGPUTAFESA-N 1 0 452.357 4.739 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449544 1067064146 /nfs/dbraw/zinc/06/41/46/1067064146.db2.gz RWOOYYVEURBXCW-DVECYGJZSA-N 1 0 453.945 4.876 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)OC ZINC001545773992 1067064233 /nfs/dbraw/zinc/06/42/33/1067064233.db2.gz AGCLIDXSDAIZJU-QFIPXVFZSA-N 1 0 483.701 4.606 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449860 1067064497 /nfs/dbraw/zinc/06/44/97/1067064497.db2.gz UCKINDYNAFWLBH-VLIAUNLRSA-N 1 0 453.341 4.717 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449857 1067064640 /nfs/dbraw/zinc/06/46/40/1067064640.db2.gz UCKINDYNAFWLBH-VBKZILBWSA-N 1 0 453.341 4.717 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458450715 1067064930 /nfs/dbraw/zinc/06/49/30/1067064930.db2.gz WBBPYORGLVESAE-DVECYGJZSA-N 1 0 453.945 4.876 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458450739 1067065329 /nfs/dbraw/zinc/06/53/29/1067065329.db2.gz WBBPYORGLVESAE-YADARESESA-N 1 0 453.945 4.876 20 0 JJADRO CCC(CC)(Cn1c(-c2ccccc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545775754 1067069509 /nfs/dbraw/zinc/06/95/09/1067069509.db2.gz JPEVKESPCHRZFL-RBBKRZOGSA-N 1 0 482.673 4.702 20 0 JJADRO CCC(O)(CC)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001546022333 1067074561 /nfs/dbraw/zinc/07/45/61/1067074561.db2.gz CHNNXVKAIRCMEX-HXUWFJFHSA-N 1 0 473.637 4.563 20 0 JJADRO CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001546022695 1067079963 /nfs/dbraw/zinc/07/99/63/1067079963.db2.gz KWUVTGRJWIHAEX-LJQANCHMSA-N 1 0 476.065 4.687 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)SC ZINC001545787992 1067083645 /nfs/dbraw/zinc/08/36/45/1067083645.db2.gz DRWMCXPPHZTUQH-NRFANRHFSA-N 1 0 492.133 4.603 20 0 JJADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC001458538930 1067084458 /nfs/dbraw/zinc/08/44/58/1067084458.db2.gz XGVFFVXXEODWQS-UHFFFAOYSA-N 1 0 457.199 4.689 20 0 JJADRO CC(C)C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001450486910 1067084729 /nfs/dbraw/zinc/08/47/29/1067084729.db2.gz PIRQWBRAWWDFEX-HOCLYGCPSA-N 1 0 456.439 4.515 20 0 JJADRO CCc1nnc(N2CCC[C@H]2c2ccc(OC)c(OC)c2)n1CCC[N@H+](C)C1CCCCC1 ZINC001546510639 1067085701 /nfs/dbraw/zinc/08/57/01/1067085701.db2.gz JMJHWPAVNLOPBJ-QFIPXVFZSA-N 1 0 455.647 4.854 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)SC ZINC001545789515 1067086236 /nfs/dbraw/zinc/08/62/36/1067086236.db2.gz JWLWWVFODCWYLN-JOCHJYFZSA-N 1 0 471.715 4.864 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546102121 1067087875 /nfs/dbraw/zinc/08/78/75/1067087875.db2.gz RQJWIWHYDDHWBS-KPPZHTEDSA-N 1 0 489.749 4.959 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)OC ZINC001545791161 1067088315 /nfs/dbraw/zinc/08/83/15/1067088315.db2.gz JGAKPHXOTFOTNY-UHFFFAOYSA-N 1 0 467.683 4.848 20 0 JJADRO Cc1nc(COc2cccc(C(=O)NC[C@@H](c3ccc(OC(C)C)cc3)[NH+](C)C)c2)cs1 ZINC001450548501 1067089605 /nfs/dbraw/zinc/08/96/05/1067089605.db2.gz RWVHOSGCJPTZNA-DEOSSOPVSA-N 1 0 453.608 4.850 20 0 JJADRO CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](C2CCCC2)CC1)OC ZINC001545792934 1067091227 /nfs/dbraw/zinc/09/12/27/1067091227.db2.gz QZTUFSUQFRRUHN-UHFFFAOYSA-N 1 0 469.674 4.744 20 0 JJADRO CCC(CC)(Cn1c(CCOc2ccccc2)nnc1N1CC[NH+](C(C)(C)C)CC1)SC ZINC001545792860 1067091298 /nfs/dbraw/zinc/09/12/98/1067091298.db2.gz OZBFTALSUDPQTJ-UHFFFAOYSA-N 1 0 459.704 4.742 20 0 JJADRO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001458612539 1067095346 /nfs/dbraw/zinc/09/53/46/1067095346.db2.gz DOMYEESZWGFBLH-QGZVFWFLSA-N 1 0 455.318 4.996 20 0 JJADRO O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC001450643628 1067098607 /nfs/dbraw/zinc/09/86/07/1067098607.db2.gz NVXUEVGZXDJXMN-UHFFFAOYSA-N 1 0 458.484 4.757 20 0 JJADRO CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546102505 1067099512 /nfs/dbraw/zinc/09/95/12/1067099512.db2.gz ZGDMNXSNIXVGBC-JDFHOKRYSA-N 1 0 475.703 4.566 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccc(F)cc1 ZINC001450713985 1067109467 /nfs/dbraw/zinc/10/94/67/1067109467.db2.gz YELONIVEPSVMIG-IBGZPJMESA-N 1 0 452.313 4.732 20 0 JJADRO CCC(CC)[C@H](CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)OC ZINC001545803002 1067111169 /nfs/dbraw/zinc/11/11/69/1067111169.db2.gz GFKSUQUZXYSDAN-APTRMMRNSA-N 1 0 457.638 4.522 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC(c2ncc(C)s2)CC1)[NH+]1CCOCC1 ZINC001545802909 1067111192 /nfs/dbraw/zinc/11/11/92/1067111192.db2.gz DSPBHTBORABGPM-QFIPXVFZSA-N 1 0 474.719 4.687 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1)[NH+](C)C ZINC001545803603 1067113396 /nfs/dbraw/zinc/11/33/96/1067113396.db2.gz QIIVTGLOKYUYDS-ZKMPZPQNSA-N 1 0 496.700 4.519 20 0 JJADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC001450737992 1067113629 /nfs/dbraw/zinc/11/36/29/1067113629.db2.gz BITADXNBAQMLJP-NDEPHWFRSA-N 1 0 458.602 4.613 20 0 JJADRO COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC001450737989 1067113690 /nfs/dbraw/zinc/11/36/90/1067113690.db2.gz BITADXNBAQMLJP-MUUNZHRXSA-N 1 0 458.602 4.613 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[NH+](C)C ZINC001545803661 1067113998 /nfs/dbraw/zinc/11/39/98/1067113998.db2.gz RNMAVVPOJJJGAN-OAQYLSRUSA-N 1 0 490.096 4.671 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C)[NH+](C)C ZINC001545803801 1067114125 /nfs/dbraw/zinc/11/41/25/1067114125.db2.gz VDNVFSDHPZIJMO-OYDLWJJNSA-N 1 0 489.668 4.674 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(Cc2cccc(Cl)c2)CC1)[NH+](C)C ZINC001545804813 1067116856 /nfs/dbraw/zinc/11/68/56/1067116856.db2.gz BWTBEDIBODPYBQ-HSZRJFAPSA-N 1 0 461.098 4.744 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC001545804994 1067117576 /nfs/dbraw/zinc/11/75/76/1067117576.db2.gz GFBCRLWAGWWGAL-WWMYMODYSA-N 1 0 479.511 4.895 20 0 JJADRO CC[NH+](CC)CCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC ZINC001458723804 1067117589 /nfs/dbraw/zinc/11/75/89/1067117589.db2.gz AVPNQTQDZJBPEC-UHFFFAOYSA-N 1 0 452.045 4.859 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001545805277 1067118691 /nfs/dbraw/zinc/11/86/91/1067118691.db2.gz KSEYMVYMOJDILU-JQVVWYNYSA-N 1 0 475.653 4.927 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCOCC1 ZINC001545805335 1067118881 /nfs/dbraw/zinc/11/88/81/1067118881.db2.gz LRKUWEZYZGRBAV-BWKNWUBXSA-N 1 0 469.674 4.717 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCOC[C@@H]1C)[NH+](C)C ZINC001545805533 1067120202 /nfs/dbraw/zinc/12/02/02/1067120202.db2.gz OUTSCEAJCBXAIT-RXVVDRJESA-N 1 0 459.704 4.867 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CO)CC1)[NH+](C)C ZINC001545805728 1067121022 /nfs/dbraw/zinc/12/10/22/1067121022.db2.gz REFCYJVPHDJZOM-XMSQKQJNSA-N 1 0 473.731 4.707 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC)[NH+]1CCOCC1 ZINC001545805751 1067121080 /nfs/dbraw/zinc/12/10/80/1067121080.db2.gz RQTADOLHHOMASM-NRFANRHFSA-N 1 0 459.704 4.869 20 0 JJADRO Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450794178 1067121896 /nfs/dbraw/zinc/12/18/96/1067121896.db2.gz FQXUPVSINUIGLI-JOCHJYFZSA-N 1 0 457.615 4.844 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C)[NH+]1CCOCC1 ZINC001545805916 1067122156 /nfs/dbraw/zinc/12/21/56/1067122156.db2.gz UVGLJXQSQZHSSW-UUOWRZLLSA-N 1 0 475.628 4.940 20 0 JJADRO C[C@@H]1[C@H](NC(=O)[C@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001450801352 1067123308 /nfs/dbraw/zinc/12/33/08/1067123308.db2.gz SDIBCVDOYWYHJD-XTBZXYEFSA-N 1 0 459.609 4.806 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450803121 1067123363 /nfs/dbraw/zinc/12/33/63/1067123363.db2.gz OLXWHUWAJYAGJE-IERDGZPVSA-N 1 0 452.565 4.783 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001546026297 1067124053 /nfs/dbraw/zinc/12/40/53/1067124053.db2.gz KKDVLLFVZLINQI-OFNKIYASSA-N 1 0 465.642 4.887 20 0 JJADRO CC(C)Cc1ccc([C@H](CNC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)[NH+](C)C)cc1 ZINC001450806670 1067124213 /nfs/dbraw/zinc/12/42/13/1067124213.db2.gz URSKSOCXZHTLDK-FQEVSTJZSA-N 1 0 451.592 4.770 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)s2)cc1OC ZINC001450807645 1067124966 /nfs/dbraw/zinc/12/49/66/1067124966.db2.gz XHFYANGYVIISPI-YLJYHZDGSA-N 1 0 451.592 4.529 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)[NH+](C)C ZINC001545807397 1067125619 /nfs/dbraw/zinc/12/56/19/1067125619.db2.gz HKNJERDVPNCKQU-FIPFOOKPSA-N 1 0 496.700 4.640 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC1CC(F)(F)C1)[NH+](C)C ZINC001545807527 1067126231 /nfs/dbraw/zinc/12/62/31/1067126231.db2.gz JQDCKPHCGKXSAN-FQEVSTJZSA-N 1 0 477.600 4.564 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)Cc1ccccn1)[NH+](C)C ZINC001545807620 1067126999 /nfs/dbraw/zinc/12/69/99/1067126999.db2.gz LLODOVLEINPCON-XMMPIXPASA-N 1 0 457.626 4.891 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2OC)CC1)[NH+](C)C ZINC001545807628 1067127427 /nfs/dbraw/zinc/12/74/27/1067127427.db2.gz LNUMOIUYFQZRDY-QHCPKHFHSA-N 1 0 480.657 4.548 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC(COC)CC1)[NH+](C)C ZINC001545807645 1067127604 /nfs/dbraw/zinc/12/76/04/1067127604.db2.gz LVWXEXISICSILS-JOCHJYFZSA-N 1 0 492.506 4.937 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+](C)C ZINC001545807739 1067128240 /nfs/dbraw/zinc/12/82/40/1067128240.db2.gz NNFHQRXAUGLFEC-HSZRJFAPSA-N 1 0 486.611 4.818 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C1CC1)[NH+]1CCOCC1 ZINC001545807775 1067128320 /nfs/dbraw/zinc/12/83/20/1067128320.db2.gz ODCSWEUQJYFITB-JOCHJYFZSA-N 1 0 490.490 4.833 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1nccs1)[NH+](C)C ZINC001545807830 1067128710 /nfs/dbraw/zinc/12/87/10/1067128710.db2.gz ONKJMSJDWHPAOW-QFIPXVFZSA-N 1 0 463.655 4.953 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001545807974 1067131105 /nfs/dbraw/zinc/13/11/05/1067131105.db2.gz QGZBOLJHIZDSIN-WYZBGUQQSA-N 1 0 490.092 4.738 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001545808162 1067132230 /nfs/dbraw/zinc/13/22/30/1067132230.db2.gz TZTRLEYOUDLYRL-YADHBBJMSA-N 1 0 478.106 4.677 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSCC1)[NH+](C)C ZINC001545808262 1067132951 /nfs/dbraw/zinc/13/29/51/1067132951.db2.gz VOYNTJBGGVEUHN-LJQANCHMSA-N 1 0 496.519 4.636 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSCC1)[NH+](C)C ZINC001545808261 1067133037 /nfs/dbraw/zinc/13/30/37/1067133037.db2.gz VOYNTJBGGVEUHN-IBGZPJMESA-N 1 0 496.519 4.636 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001545808326 1067133640 /nfs/dbraw/zinc/13/36/40/1067133640.db2.gz WTRWDFPCRDGAHY-FPOVZHCZSA-N 1 0 485.702 4.553 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C)[NH+]1CCOCC1 ZINC001545808332 1067133664 /nfs/dbraw/zinc/13/36/64/1067133664.db2.gz WUTLCERXAQEPOO-GCJKJVERSA-N 1 0 478.106 4.677 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1)[NH+](C)C ZINC001545808436 1067134390 /nfs/dbraw/zinc/13/43/90/1067134390.db2.gz YQAOTBNJSFTSKV-QGZVFWFLSA-N 1 0 494.507 4.505 20 0 JJADRO O=C(c1snc(Cl)c1Cl)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001450905343 1067134696 /nfs/dbraw/zinc/13/46/96/1067134696.db2.gz HYRIWVDWACHJBN-UHFFFAOYSA-N 1 0 459.830 4.530 20 0 JJADRO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c1 ZINC001545809187 1067135151 /nfs/dbraw/zinc/13/51/51/1067135151.db2.gz XCSYRRRUYFBGDI-UHFFFAOYSA-N 1 0 451.592 4.524 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Cl)s1)[NH+]1CCOCC1 ZINC001545809412 1067135735 /nfs/dbraw/zinc/13/57/35/1067135735.db2.gz CJWBTVNTTKWNES-NRFANRHFSA-N 1 0 489.089 4.828 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Cl)s1)[NH+]1CCOCC1 ZINC001545809413 1067135752 /nfs/dbraw/zinc/13/57/52/1067135752.db2.gz CJWBTVNTTKWNES-OAQYLSRUSA-N 1 0 489.089 4.828 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(O)(c2ccccc2Cl)CC1)[NH+](C)C ZINC001545809403 1067135789 /nfs/dbraw/zinc/13/57/89/1067135789.db2.gz BZFZCTMZHCUDFK-XMMPIXPASA-N 1 0 497.087 4.848 20 0 JJADRO Cc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)n(C)nc1C(F)(F)F ZINC001458768393 1067136053 /nfs/dbraw/zinc/13/60/53/1067136053.db2.gz GUCPMZAGBGQSOJ-LEWJYISDSA-N 1 0 456.512 4.910 20 0 JJADRO CC[N@@H+]1CCCN(C(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)[C@@H](C)C1 ZINC001450973962 1067137460 /nfs/dbraw/zinc/13/74/60/1067137460.db2.gz GIOPHUJTCVSLEN-INIZCTEOSA-N 1 0 451.430 4.954 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545810230 1067137410 /nfs/dbraw/zinc/13/74/10/1067137410.db2.gz RZSOVTSHOYWCNU-RPWUZVMVSA-N 1 0 483.060 4.938 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC001545810192 1067137464 /nfs/dbraw/zinc/13/74/64/1067137464.db2.gz RLPQBEMVDORNOS-HOYKHHGWSA-N 1 0 486.611 4.886 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545810127 1067137564 /nfs/dbraw/zinc/13/75/64/1067137564.db2.gz PYYDHBXLZWZNGB-ZJSXRUAMSA-N 1 0 452.622 4.783 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1)[NH+](C)C ZINC001545810373 1067138081 /nfs/dbraw/zinc/13/80/81/1067138081.db2.gz VHVIBPXJLIMKAD-YADHBBJMSA-N 1 0 499.635 4.535 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545810362 1067138093 /nfs/dbraw/zinc/13/80/93/1067138093.db2.gz VDNLGIKSLJTEMT-UPVQGACJSA-N 1 0 483.701 4.963 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545810361 1067138161 /nfs/dbraw/zinc/13/81/61/1067138161.db2.gz VDNLGIKSLJTEMT-LADGPHEKSA-N 1 0 483.701 4.963 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001545810475 1067138729 /nfs/dbraw/zinc/13/87/29/1067138729.db2.gz XCUQEHZGQOCYCE-YKSBVNFPSA-N 1 0 483.730 4.595 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545810477 1067138839 /nfs/dbraw/zinc/13/88/39/1067138839.db2.gz XEGRAFBLELHGSR-XMMPIXPASA-N 1 0 455.622 4.768 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1cccc(F)c1)[NH+](C)C ZINC001545812169 1067139933 /nfs/dbraw/zinc/13/99/33/1067139933.db2.gz KAKMITSEEXBZHA-DHIUTWEWSA-N 1 0 453.610 4.526 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC001545811913 1067140100 /nfs/dbraw/zinc/14/01/00/1067140100.db2.gz FJDQAFHQFDGZPH-AVRDEDQJSA-N 1 0 463.630 4.989 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1cccc(F)c1)[NH+](C)C ZINC001545812172 1067140166 /nfs/dbraw/zinc/14/01/66/1067140166.db2.gz KAKMITSEEXBZHA-XZOQPEGZSA-N 1 0 453.610 4.526 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1cc(F)ccc1F)[NH+](C)C ZINC001545812404 1067141233 /nfs/dbraw/zinc/14/12/33/1067141233.db2.gz OFDZCJGJDBYOLD-ZHRRBRCNSA-N 1 0 457.573 4.577 20 0 JJADRO COC(=O)c1cc(F)cc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001451032369 1067141343 /nfs/dbraw/zinc/14/13/43/1067141343.db2.gz ODPAEIIZSPABLO-RUZDIDTESA-N 1 0 452.570 4.909 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+]1CCOCC1 ZINC001545812868 1067141872 /nfs/dbraw/zinc/14/18/72/1067141872.db2.gz WOBSIWXBAHMMBQ-QFIPXVFZSA-N 1 0 464.029 4.721 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1)[NH+](C)C ZINC001545813051 1067141979 /nfs/dbraw/zinc/14/19/79/1067141979.db2.gz ZFCSAABRYYJCBU-HOYKHHGWSA-N 1 0 474.644 4.683 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1)[NH+](C)C ZINC001545814487 1067142526 /nfs/dbraw/zinc/14/25/26/1067142526.db2.gz BMZVRYNLWVKJBD-VWLOTQADSA-N 1 0 480.701 4.619 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)[NH+](C)C ZINC001545815121 1067144085 /nfs/dbraw/zinc/14/40/85/1067144085.db2.gz MQKYZHDPIKFEFK-ZEQRLZLVSA-N 1 0 499.679 4.842 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCN(c2ccccc2Cl)CC1)[NH+](C)C ZINC001545815220 1067144782 /nfs/dbraw/zinc/14/47/82/1067144782.db2.gz NOTVLZCOPYBTDE-HSZRJFAPSA-N 1 0 459.082 4.892 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1)[NH+](C)C ZINC001545815683 1067145091 /nfs/dbraw/zinc/14/50/91/1067145091.db2.gz TXCBURGJMAEFDP-RPBOFIJWSA-N 1 0 497.684 4.691 20 0 JJADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001451087450 1067145272 /nfs/dbraw/zinc/14/52/72/1067145272.db2.gz LRXRSPOGYDKFMW-INIZCTEOSA-N 1 0 453.384 4.521 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001545816952 1067146038 /nfs/dbraw/zinc/14/60/38/1067146038.db2.gz BBULEGCSALAGMM-LAUBAEHRSA-N 1 0 450.096 4.830 20 0 JJADRO CCC1(CC)CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC001546103656 1067146114 /nfs/dbraw/zinc/14/61/14/1067146114.db2.gz RPSDUPKRTZQRPI-UHFFFAOYSA-N 1 0 453.675 4.597 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[NH+](C)C ZINC001545816915 1067146158 /nfs/dbraw/zinc/14/61/58/1067146158.db2.gz ALEYCMZGUVAHPL-BDTNDASRSA-N 1 0 490.737 4.536 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545817175 1067146559 /nfs/dbraw/zinc/14/65/59/1067146559.db2.gz FWSGJQJQQBDASI-AREMUKBSSA-N 1 0 465.686 4.861 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1)[NH+](C)C ZINC001545817038 1067146610 /nfs/dbraw/zinc/14/66/10/1067146610.db2.gz CREKZORBXKMBDA-IRLDBZIGSA-N 1 0 474.669 4.815 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817227 1067147925 /nfs/dbraw/zinc/14/79/25/1067147925.db2.gz GRLNHCYGCCIJBD-ILBGXUMGSA-N 1 0 464.633 4.763 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001545817283 1067147957 /nfs/dbraw/zinc/14/79/57/1067147957.db2.gz HMGDBADXXSHVGN-PKTZIBPZSA-N 1 0 492.133 4.601 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001545817344 1067148674 /nfs/dbraw/zinc/14/86/74/1067148674.db2.gz INNRXLATJZUGBO-JTHBVZDNSA-N 1 0 465.690 4.755 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@](C)(c2ccccc2)C1)[NH+](C)C ZINC001545817409 1067149243 /nfs/dbraw/zinc/14/92/43/1067149243.db2.gz JLRJMTCYMWTHNF-SHQCIBLASA-N 1 0 496.725 4.752 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)[NH+](C)C ZINC001545817435 1067149289 /nfs/dbraw/zinc/14/92/89/1067149289.db2.gz KBKGIGRXINNEDV-GPXNEJASSA-N 1 0 474.093 4.752 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@](C)(c2ccccc2)C1)[NH+](C)C ZINC001545817407 1067149299 /nfs/dbraw/zinc/14/92/99/1067149299.db2.gz JLRJMTCYMWTHNF-IGKIAQTJSA-N 1 0 496.725 4.752 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+](C)C ZINC001545817384 1067149324 /nfs/dbraw/zinc/14/93/24/1067149324.db2.gz JDAIFCRBOOPOFD-QFIPXVFZSA-N 1 0 459.654 4.768 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N1CC[C@H](c2ccccc2)C1)[NH+]1CCOCC1 ZINC001545817673 1067150362 /nfs/dbraw/zinc/15/03/62/1067150362.db2.gz NZVWMNQPUKUKLB-DQEYMECFSA-N 1 0 453.675 4.608 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N1CC[C@@H](c2ccccc2)C1)[NH+]1CCOCC1 ZINC001545817676 1067151264 /nfs/dbraw/zinc/15/12/64/1067151264.db2.gz NZVWMNQPUKUKLB-RPBOFIJWSA-N 1 0 453.675 4.608 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001545817827 1067151279 /nfs/dbraw/zinc/15/12/79/1067151279.db2.gz QEOCSELVIRHANM-DEOSSOPVSA-N 1 0 457.638 4.525 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2ccco2)C1)[NH+]1CCOCC1 ZINC001545817891 1067151874 /nfs/dbraw/zinc/15/18/74/1067151874.db2.gz RLUCIFHFUDUSSM-VXKWHMMOSA-N 1 0 457.663 4.591 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545818002 1067152550 /nfs/dbraw/zinc/15/25/50/1067152550.db2.gz UDPBFXMMCAWGBG-JWQCQUIFSA-N 1 0 497.087 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2CCOC2)CC1)[NH+](C)C ZINC001545818226 1067152627 /nfs/dbraw/zinc/15/26/27/1067152627.db2.gz YAQPBOGNIQGCNM-OFVILXPXSA-N 1 0 489.655 4.766 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2CCOC2)CC1)[NH+](C)C ZINC001545818228 1067152640 /nfs/dbraw/zinc/15/26/40/1067152640.db2.gz YAQPBOGNIQGCNM-SQJMNOBHSA-N 1 0 489.655 4.766 20 0 JJADRO COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)CC2)c2ccccc12 ZINC001451198359 1067153291 /nfs/dbraw/zinc/15/32/91/1067153291.db2.gz RRWIPUONDZTWII-UHFFFAOYSA-N 1 0 459.590 4.709 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1F ZINC001451198514 1067153304 /nfs/dbraw/zinc/15/33/04/1067153304.db2.gz QIRHXNOOCHNORF-OAQYLSRUSA-N 1 0 459.562 4.751 20 0 JJADRO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)cc2)cc1C ZINC001451198364 1067153378 /nfs/dbraw/zinc/15/33/78/1067153378.db2.gz RSTUZPCIWHABNA-UHFFFAOYSA-N 1 0 451.592 4.727 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001545819463 1067154900 /nfs/dbraw/zinc/15/49/00/1067154900.db2.gz GJWHDWKZJJRCLR-NZQKXSOJSA-N 1 0 490.737 4.823 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001546029631 1067155200 /nfs/dbraw/zinc/15/52/00/1067155200.db2.gz LMWGQZLOUWFLRC-RTWAWAEBSA-N 1 0 457.638 4.726 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545819736 1067156197 /nfs/dbraw/zinc/15/61/97/1067156197.db2.gz LGPDKGAMUYZQST-BKMJKUGQSA-N 1 0 476.109 4.779 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC001545819880 1067156231 /nfs/dbraw/zinc/15/62/31/1067156231.db2.gz NUHIONNYCWZKHK-XMMPIXPASA-N 1 0 484.092 4.722 20 0 JJADRO CCC(CC)[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1)[NH+](C)C ZINC001545819868 1067156257 /nfs/dbraw/zinc/15/62/57/1067156257.db2.gz NRMWYMBXVYFYJV-UWJYYQICSA-N 1 0 466.095 4.815 20 0 JJADRO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001451254699 1067156182 /nfs/dbraw/zinc/15/61/82/1067156182.db2.gz OGUPICGBQPOFOB-REWPJTCUSA-N 1 0 453.602 4.920 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545819960 1067156485 /nfs/dbraw/zinc/15/64/85/1067156485.db2.gz PCECLBWNSMEBQE-JBACZVJFSA-N 1 0 478.726 4.682 20 0 JJADRO CCCc1occc1C(=O)NCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001451297399 1067157847 /nfs/dbraw/zinc/15/78/47/1067157847.db2.gz BWNRYFZHPHHABU-UHFFFAOYSA-N 1 0 455.599 4.521 20 0 JJADRO CC(C)CC1(C(=O)NCC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC001451296789 1067158036 /nfs/dbraw/zinc/15/80/36/1067158036.db2.gz AJTVHVXFGMZSPL-UHFFFAOYSA-N 1 0 457.659 4.879 20 0 JJADRO CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)[NH+](C)C ZINC001545820262 1067158425 /nfs/dbraw/zinc/15/84/25/1067158425.db2.gz UVHZUAXIYNHMBS-YUXAGFNASA-N 1 0 481.607 4.586 20 0 JJADRO CC[C@H]1CCCC[C@@H]1C(=O)NCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001451303699 1067158468 /nfs/dbraw/zinc/15/84/68/1067158468.db2.gz NQYIJYRAZJATJB-GOTSBHOMSA-N 1 0 457.659 4.879 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CCc3cc(OC)c(OC)cc3CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820273 1067158501 /nfs/dbraw/zinc/15/85/01/1067158501.db2.gz VCAHYGHNYQGBOM-JOCHJYFZSA-N 1 0 471.690 4.564 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001545820372 1067159196 /nfs/dbraw/zinc/15/91/96/1067159196.db2.gz WIGPLATXRXZPSY-GOTSBHOMSA-N 1 0 491.771 4.645 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)CC1)[NH+](C)C ZINC001545820514 1067159997 /nfs/dbraw/zinc/15/99/97/1067159997.db2.gz YRMIDZLNBOWDQM-BHIFYINESA-N 1 0 476.710 4.652 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001545821406 1067161171 /nfs/dbraw/zinc/16/11/71/1067161171.db2.gz CIEXVYLPXPTWHV-QHAWAJNXSA-N 1 0 460.692 4.645 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(Cl)cc2C1)[NH+](C)C ZINC001545821564 1067161648 /nfs/dbraw/zinc/16/16/48/1067161648.db2.gz GRWQZTNRHJPGHQ-OYDLWJJNSA-N 1 0 490.092 4.585 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001545822187 1067162896 /nfs/dbraw/zinc/16/28/96/1067162896.db2.gz VXJANEXJXUIAAX-GDMUPCAJSA-N 1 0 475.722 4.568 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001545822023 1067162925 /nfs/dbraw/zinc/16/29/25/1067162925.db2.gz RHADMMKJNPBTFF-GVAUOCQISA-N 1 0 487.664 4.585 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)on1 ZINC001545823386 1067166357 /nfs/dbraw/zinc/16/63/57/1067166357.db2.gz KWBUCECIWZYSGR-IAGOWNOFSA-N 1 0 472.037 4.852 20 0 JJADRO CCC(CC)c1cc(Cn2c(Cc3ccsc3)nnc2N2CC[NH+](CC(C)C)CC2)on1 ZINC001545825055 1067171066 /nfs/dbraw/zinc/17/10/66/1067171066.db2.gz QUYQVVYSNICBPY-UHFFFAOYSA-N 1 0 456.660 4.648 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001545825931 1067172205 /nfs/dbraw/zinc/17/22/05/1067172205.db2.gz AMXVSQNSTNCMQD-IBGZPJMESA-N 1 0 480.682 4.514 20 0 JJADRO Nn1c(SCc2cccc(C[NH+]3CCCCC3)c2)nnc1-c1cccc(Br)c1 ZINC001458866283 1067179185 /nfs/dbraw/zinc/17/91/85/1067179185.db2.gz VWDWSJXAPBYEHH-UHFFFAOYSA-N 1 0 458.429 4.700 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)s2)cc1OC ZINC001546032523 1067181104 /nfs/dbraw/zinc/18/11/04/1067181104.db2.gz WPYQLXASJROBHG-UHFFFAOYSA-N 1 0 457.640 4.864 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@]1(C)CCCS1 ZINC001545830567 1067182153 /nfs/dbraw/zinc/18/21/53/1067182153.db2.gz XRMJADZFIIBSJN-MHZLTWQESA-N 1 0 498.741 4.583 20 0 JJADRO CCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c(OCCC)c1 ZINC001458879138 1067184389 /nfs/dbraw/zinc/18/43/89/1067184389.db2.gz RGBDSCLDWTVIAK-DQEYMECFSA-N 1 0 459.675 4.673 20 0 JJADRO COc1cc(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)ccc1OCC[NH+](C)C ZINC001451666195 1067184541 /nfs/dbraw/zinc/18/45/41/1067184541.db2.gz HSOLTNGFGJVZCR-UHFFFAOYSA-N 1 0 456.892 4.978 20 0 JJADRO CN(C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001458881058 1067184934 /nfs/dbraw/zinc/18/49/34/1067184934.db2.gz UUCAJXTWYBJUHE-VSYWRSJOSA-N 1 0 450.042 4.768 20 0 JJADRO COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)ccc1OCC[NH+](C)C ZINC001451668335 1067185568 /nfs/dbraw/zinc/18/55/68/1067185568.db2.gz LKVMIPDRXKXIDL-RTBURBONSA-N 1 0 451.592 4.934 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001546104562 1067189789 /nfs/dbraw/zinc/18/97/89/1067189789.db2.gz BENAXMLUYCGBAF-SFHVURJKSA-N 1 0 477.495 4.795 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001545836635 1067190122 /nfs/dbraw/zinc/19/01/22/1067190122.db2.gz SWOUXARWGQDGNG-SIBVEZHUSA-N 1 0 489.108 4.997 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001545849429 1067203160 /nfs/dbraw/zinc/20/31/60/1067203160.db2.gz OLDBDTHSDOWWAU-RTWAWAEBSA-N 1 0 468.690 4.710 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)[C@H]2C[C@H]21 ZINC001452101942 1067207629 /nfs/dbraw/zinc/20/76/29/1067207629.db2.gz MNXJGOAMKIEXGO-LNRXMEIDSA-N 1 0 459.656 4.752 20 0 JJADRO CC(C)N(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001452138259 1067208955 /nfs/dbraw/zinc/20/89/55/1067208955.db2.gz QZAXZIKAGWMQGU-SILAICFJSA-N 1 0 455.643 4.701 20 0 JJADRO Cn1c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001452180128 1067212803 /nfs/dbraw/zinc/21/28/03/1067212803.db2.gz RSBBEPUONRGVNW-GPXNEJASSA-N 1 0 480.653 4.562 20 0 JJADRO Cc1cc(F)ccc1-c1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC001458974595 1067214295 /nfs/dbraw/zinc/21/42/95/1067214295.db2.gz PDSKRWJJEZGOMH-QHCPKHFHSA-N 1 0 450.529 4.961 20 0 JJADRO CCc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001458973148 1067214370 /nfs/dbraw/zinc/21/43/70/1067214370.db2.gz KNTDTAOREZKRLE-LJQANCHMSA-N 1 0 453.970 4.578 20 0 JJADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001458976041 1067214629 /nfs/dbraw/zinc/21/46/29/1067214629.db2.gz WCNCXBVUSVHKGU-NRFANRHFSA-N 1 0 458.480 4.986 20 0 JJADRO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001546038352 1067221871 /nfs/dbraw/zinc/22/18/71/1067221871.db2.gz KBQMWHYBLLMFQK-HSZRJFAPSA-N 1 0 467.683 4.582 20 0 JJADRO CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001452531767 1067231964 /nfs/dbraw/zinc/23/19/64/1067231964.db2.gz VSCVLSHQJZZWLE-QHCPKHFHSA-N 1 0 457.659 4.975 20 0 JJADRO C[C@@H]1[C@@H](C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CCN1C(=O)OC(C)(C)C ZINC001452530291 1067232026 /nfs/dbraw/zinc/23/20/26/1067232026.db2.gz IKWKJTYVAQOJNU-GGAORHGYSA-N 1 0 455.643 4.537 20 0 JJADRO O=C(CCC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)Nc1c(F)cccc1F ZINC001452532809 1067232652 /nfs/dbraw/zinc/23/26/52/1067232652.db2.gz WIGKVDDYBPPYLN-UHFFFAOYSA-N 1 0 455.549 4.588 20 0 JJADRO CCCc1c(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)[nH]c(C)c1C(=O)OC ZINC001452532362 1067232662 /nfs/dbraw/zinc/23/26/62/1067232662.db2.gz YHKZBUTYWMVQMU-UHFFFAOYSA-N 1 0 451.611 4.581 20 0 JJADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001459050131 1067239383 /nfs/dbraw/zinc/23/93/83/1067239383.db2.gz UUKDKJKTUNZTGD-UHFFFAOYSA-N 1 0 456.587 4.883 20 0 JJADRO COc1ccc(-n2c(C)nnc2SCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC001459056377 1067240905 /nfs/dbraw/zinc/24/09/05/1067240905.db2.gz JLRUTYWZXAJZDS-UHFFFAOYSA-N 1 0 458.031 4.542 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3ccc(C(=O)OC(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC001452689872 1067244514 /nfs/dbraw/zinc/24/45/14/1067244514.db2.gz IIMYXGJPNSMQAK-BGYRXZFFSA-N 1 0 452.595 4.523 20 0 JJADRO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001546042870 1067247994 /nfs/dbraw/zinc/24/79/94/1067247994.db2.gz AHHOWBMABZWQAY-ICDZXHCJSA-N 1 0 497.728 4.849 20 0 JJADRO C[C@@H](C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001452752549 1067248517 /nfs/dbraw/zinc/24/85/17/1067248517.db2.gz DQLHDJCAPRZYTC-HBMCJLEFSA-N 1 0 453.602 4.721 20 0 JJADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2ccc(Cl)c(Br)c2)CC1 ZINC001459090094 1067249328 /nfs/dbraw/zinc/24/93/28/1067249328.db2.gz UDZCPAASSBDTRF-UHFFFAOYSA-N 1 0 451.792 4.524 20 0 JJADRO COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001452765989 1067249611 /nfs/dbraw/zinc/24/96/11/1067249611.db2.gz LLXRKFLDWHVGGM-KRWDZBQOSA-N 1 0 454.061 4.537 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC1CCC1 ZINC001452818866 1067255753 /nfs/dbraw/zinc/25/57/53/1067255753.db2.gz OHGGUNKXYLVBHJ-HSZRJFAPSA-N 1 0 452.599 4.615 20 0 JJADRO Cc1cc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001452977688 1067270206 /nfs/dbraw/zinc/27/02/06/1067270206.db2.gz WLPYRAVDQMANMB-UHFFFAOYSA-N 1 0 458.393 4.525 20 0 JJADRO CCn1c(SCC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)nnc1-c1ccc(Cl)cc1 ZINC001459258052 1067278643 /nfs/dbraw/zinc/27/86/43/1067278643.db2.gz WVUUVNFHJDWTDL-IIBYNOLFSA-N 1 0 458.031 4.518 20 0 JJADRO CC(C)C1=CC2=CC[C@H]3[C@](C)(CCC[C@]3(C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@H]2CC1 ZINC001453118601 1067280294 /nfs/dbraw/zinc/28/02/94/1067280294.db2.gz BXLBVHRNJPEWFP-ACWWYGLDSA-N 1 0 457.703 4.600 20 0 JJADRO CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)c2C1 ZINC001453162609 1067284952 /nfs/dbraw/zinc/28/49/52/1067284952.db2.gz IDBNBAOCVXNIKP-FQEVSTJZSA-N 1 0 453.558 4.927 20 0 JJADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N2CCNC2=O)c(C)c1 ZINC001453169085 1067285382 /nfs/dbraw/zinc/28/53/82/1067285382.db2.gz HSWWZUABYZMIEK-UHFFFAOYSA-N 1 0 457.018 4.552 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccn2cc(C(F)(F)F)nc2c1 ZINC001453168424 1067285459 /nfs/dbraw/zinc/28/54/59/1067285459.db2.gz DSKDTNINFNPMBE-UHFFFAOYSA-N 1 0 452.908 4.991 20 0 JJADRO CCN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)[C@@H]1CC[N@H+](CC)C1 ZINC001453178800 1067287506 /nfs/dbraw/zinc/28/75/06/1067287506.db2.gz PEXUVBZFEYLUMM-HXUWFJFHSA-N 1 0 457.500 4.509 20 0 JJADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)O2 ZINC001459316665 1067292220 /nfs/dbraw/zinc/29/22/20/1067292220.db2.gz BKUWTBAYIPROHA-MOPGFXCFSA-N 1 0 451.405 4.755 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC2)C1 ZINC001453320523 1067297299 /nfs/dbraw/zinc/29/72/99/1067297299.db2.gz CXANRBMGAPGBOK-OAQYLSRUSA-N 1 0 459.631 4.765 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350427 1067300519 /nfs/dbraw/zinc/30/05/19/1067300519.db2.gz XQGGRMHTCNVDBP-AHWVRZQESA-N 1 0 452.595 4.861 20 0 JJADRO O=C(C[NH+](CC1CCCCC1)CC1CCCCC1)NCc1ccccc1CN1CCCC1=O ZINC001459353036 1067301524 /nfs/dbraw/zinc/30/15/24/1067301524.db2.gz DDNZOIZTSIJNGA-UHFFFAOYSA-N 1 0 453.671 4.888 20 0 JJADRO COc1cccc(S(=O)(=O)CC[N@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC001459388301 1067310649 /nfs/dbraw/zinc/31/06/49/1067310649.db2.gz AWLMZMQYLQIKED-SFYKDHMMSA-N 1 0 459.608 4.525 20 0 JJADRO COCc1ccccc1CNC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001459392050 1067311229 /nfs/dbraw/zinc/31/12/29/1067311229.db2.gz LBRVZVJNASGKDB-MZLICYQSSA-N 1 0 452.595 4.505 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC001459393670 1067311832 /nfs/dbraw/zinc/31/18/32/1067311832.db2.gz YDHFOHVWBMDSBS-LJQANCHMSA-N 1 0 453.421 4.939 20 0 JJADRO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001459394916 1067312695 /nfs/dbraw/zinc/31/26/95/1067312695.db2.gz ZVSXOSJWKZXBKY-MBSDFSHPSA-N 1 0 452.599 4.673 20 0 JJADRO FC(F)(F)c1cc(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccc1Cl ZINC001459398359 1067313322 /nfs/dbraw/zinc/31/33/22/1067313322.db2.gz YNXDFGDRHYMWRD-IBGZPJMESA-N 1 0 452.952 4.788 20 0 JJADRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001459401934 1067313920 /nfs/dbraw/zinc/31/39/20/1067313920.db2.gz WFCHGTPUFQRLNA-HJOGWXRNSA-N 1 0 458.643 4.892 20 0 JJADRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cc(C)c(I)cc1C ZINC001459422534 1067320983 /nfs/dbraw/zinc/32/09/83/1067320983.db2.gz VWYYRVQNEYTASO-QGZVFWFLSA-N 1 0 451.348 4.719 20 0 JJADRO O=C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459438093 1067325115 /nfs/dbraw/zinc/32/51/15/1067325115.db2.gz LWBSPLARBOLOGF-FQEVSTJZSA-N 1 0 454.640 4.527 20 0 JJADRO O=C(c1ccc(Cl)cc1F)N1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001459441291 1067325245 /nfs/dbraw/zinc/32/52/45/1067325245.db2.gz WPYFGENTYVDFLU-UHFFFAOYSA-N 1 0 458.021 4.582 20 0 JJADRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001459439687 1067325679 /nfs/dbraw/zinc/32/56/79/1067325679.db2.gz IIIUTQFPLDDHHE-WZONZLPQSA-N 1 0 450.501 4.862 20 0 JJADRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001453739923 1067325944 /nfs/dbraw/zinc/32/59/44/1067325944.db2.gz PKXPOKQTZHJKKG-JOCHJYFZSA-N 1 0 457.496 4.942 20 0 JJADRO COc1cc(Br)ccc1CCC[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC001459453714 1067326903 /nfs/dbraw/zinc/32/69/03/1067326903.db2.gz PKKHCLAMWUNHHI-QFIPXVFZSA-N 1 0 451.449 4.893 20 0 JJADRO C[N@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459484898 1067336596 /nfs/dbraw/zinc/33/65/96/1067336596.db2.gz JKFGXYFCFAVWGO-XAUMDUMWSA-N 1 0 463.418 4.559 20 0 JJADRO C[C@@H]1C[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001459489207 1067336971 /nfs/dbraw/zinc/33/69/71/1067336971.db2.gz OTEIUNMTSRLEGU-SELNLUPBSA-N 1 0 457.640 4.674 20 0 JJADRO C[C@@H]1C[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001459489201 1067337249 /nfs/dbraw/zinc/33/72/49/1067337249.db2.gz OTEIUNMTSRLEGU-DNVFCKCGSA-N 1 0 457.640 4.674 20 0 JJADRO O=C(CC[NH+]1CCC(OCCc2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC001459495757 1067338485 /nfs/dbraw/zinc/33/84/85/1067338485.db2.gz YCRUUVUALAMXDK-UHFFFAOYSA-N 1 0 456.586 4.970 20 0 JJADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc(F)ccc2C)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001459508425 1067341118 /nfs/dbraw/zinc/34/11/18/1067341118.db2.gz BDNUZTDKUIYKTP-DHIUTWEWSA-N 1 0 455.574 4.974 20 0 JJADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001459517107 1067343131 /nfs/dbraw/zinc/34/31/31/1067343131.db2.gz CRYYWCJRJGVUNC-UHFFFAOYSA-N 1 0 459.993 4.667 20 0 JJADRO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001459529085 1067345471 /nfs/dbraw/zinc/34/54/71/1067345471.db2.gz RUMGXVXVFHPEAI-KRWDZBQOSA-N 1 0 454.412 4.641 20 0 JJADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC001459582209 1067356368 /nfs/dbraw/zinc/35/63/68/1067356368.db2.gz MPJCRVJWIWUVOX-NVXWUHKLSA-N 1 0 456.484 4.758 20 0 JJADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC001459582213 1067357094 /nfs/dbraw/zinc/35/70/94/1067357094.db2.gz MPJCRVJWIWUVOX-WBVHZDCISA-N 1 0 456.484 4.758 20 0 JJADRO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC001459604570 1067361373 /nfs/dbraw/zinc/36/13/73/1067361373.db2.gz AJWBHFHNGVZOQO-PKOBYXMFSA-N 1 0 456.530 4.631 20 0 JJADRO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F ZINC001459611807 1067363615 /nfs/dbraw/zinc/36/36/15/1067363615.db2.gz YHYUYFBBTVGMRJ-PKOBYXMFSA-N 1 0 458.521 4.891 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)C[C@H]1C ZINC001459613026 1067364206 /nfs/dbraw/zinc/36/42/06/1067364206.db2.gz JJBCXRGUPHPFFY-ISKFKSNPSA-N 1 0 459.638 4.899 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001546110563 1067366616 /nfs/dbraw/zinc/36/66/16/1067366616.db2.gz DNZAXDHZIHKFMG-QHCPKHFHSA-N 1 0 450.606 4.722 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546110805 1067373903 /nfs/dbraw/zinc/37/39/03/1067373903.db2.gz OAJHOKSJTURSOO-PMACEKPBSA-N 1 0 459.704 4.835 20 0 JJADRO COc1ccc(C[C@H]2CC[N@@H+]2[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cc1 ZINC001459660622 1067374159 /nfs/dbraw/zinc/37/41/59/1067374159.db2.gz ZJUPVYDXSFJFLZ-IRLDBZIGSA-N 1 0 457.412 4.887 20 0 JJADRO COc1ccc(C[C@@H]2CC[N@@H+]2[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cc1 ZINC001459660623 1067374205 /nfs/dbraw/zinc/37/42/05/1067374205.db2.gz ZJUPVYDXSFJFLZ-RBBKRZOGSA-N 1 0 457.412 4.887 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(Nc3ccccc3Cl)CC2)cc1OC ZINC001459663675 1067375249 /nfs/dbraw/zinc/37/52/49/1067375249.db2.gz OTLYHZLNLCCRAG-QFIPXVFZSA-N 1 0 458.002 4.597 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)[C@@H](C)C1 ZINC001459671960 1067379253 /nfs/dbraw/zinc/37/92/53/1067379253.db2.gz WTZCSELQTGIOOS-NVQXNPDNSA-N 1 0 459.638 4.757 20 0 JJADRO Cc1cc(=O)oc2cc(OCC[NH2+]C3(c4cccc(Br)c4)CCOCC3)ccc12 ZINC001459678015 1067381283 /nfs/dbraw/zinc/38/12/83/1067381283.db2.gz RKPKMKIKSDUTCR-UHFFFAOYSA-N 1 0 458.352 4.538 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001546111100 1067381803 /nfs/dbraw/zinc/38/18/03/1067381803.db2.gz YRYDNGGCKZLABR-JOCHJYFZSA-N 1 0 451.663 4.509 20 0 JJADRO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001459684498 1067382535 /nfs/dbraw/zinc/38/25/35/1067382535.db2.gz IMGMEOMMHCYFRB-DNQXCXABSA-N 1 0 457.659 4.525 20 0 JJADRO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001459684504 1067382580 /nfs/dbraw/zinc/38/25/80/1067382580.db2.gz IMGMEOMMHCYFRB-ZEQRLZLVSA-N 1 0 457.659 4.525 20 0 JJADRO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686321 1067383517 /nfs/dbraw/zinc/38/35/17/1067383517.db2.gz NJXPOHIPFDFFQH-YADHBBJMSA-N 1 0 456.583 4.734 20 0 JJADRO CC(C)(C)OC(=O)N1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C2(CCCCC2)C1 ZINC001459696986 1067387068 /nfs/dbraw/zinc/38/70/68/1067387068.db2.gz JRGIWSDPDVGUBG-IBGZPJMESA-N 1 0 456.549 4.864 20 0 JJADRO CC[C@H](C)[N@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459698257 1067387360 /nfs/dbraw/zinc/38/73/60/1067387360.db2.gz YGJNPHSYVSQJBG-HNNXBMFYSA-N 1 0 457.372 4.727 20 0 JJADRO COc1ccc(NC(=O)C2([NH2+]C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CCCC2)cc1OC ZINC001459705932 1067389469 /nfs/dbraw/zinc/38/94/69/1067389469.db2.gz FSIKZKDODDJMMP-HTAPYJJXSA-N 1 0 478.511 4.727 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001459709421 1067390661 /nfs/dbraw/zinc/39/06/61/1067390661.db2.gz UDQZEJXEKLVBRB-LJAQVGFWSA-N 1 0 458.650 4.818 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001459709420 1067390681 /nfs/dbraw/zinc/39/06/81/1067390681.db2.gz UDQZEJXEKLVBRB-GDLZYMKVSA-N 1 0 458.650 4.818 20 0 JJADRO COc1ccc(NC(=O)C2([NH2+]Cc3cccc(SC(=O)N(C)C)c3)CCCC2)cc1OC ZINC001459709650 1067390835 /nfs/dbraw/zinc/39/08/35/1067390835.db2.gz YQELEKDQZSYVRO-UHFFFAOYSA-N 1 0 457.596 4.519 20 0 JJADRO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459719421 1067395178 /nfs/dbraw/zinc/39/51/78/1067395178.db2.gz KFGRKDNRTUGMFN-HXOBKFHXSA-N 1 0 453.380 4.698 20 0 JJADRO COc1ccc([C@@H]([NH2+]C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c2ccc(F)cc2)cc1 ZINC001459723921 1067396320 /nfs/dbraw/zinc/39/63/20/1067396320.db2.gz WTEYAAIPWHPRNP-PKTZIBPZSA-N 1 0 456.558 4.682 20 0 JJADRO CCCCn1c(C[N@@H+]2CCCC[C@H]2CC(C)C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459724093 1067396397 /nfs/dbraw/zinc/39/63/97/1067396397.db2.gz VEUSTJVTTNXWPZ-NRFANRHFSA-N 1 0 451.615 4.548 20 0 JJADRO CCCCn1c(C[N@@H+]2CCCC[C@@H]2CC(C)C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459724095 1067396425 /nfs/dbraw/zinc/39/64/25/1067396425.db2.gz VEUSTJVTTNXWPZ-OAQYLSRUSA-N 1 0 451.615 4.548 20 0 JJADRO CCN(C(=O)c1cc(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)ccc1Cl)C(C)C ZINC001459736673 1067399625 /nfs/dbraw/zinc/39/96/25/1067399625.db2.gz SMEPRUPQPHENLO-NTEUORMPSA-N 1 0 458.002 4.803 20 0 JJADRO CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001459757472 1067409375 /nfs/dbraw/zinc/40/93/75/1067409375.db2.gz UMYYEQSXNAJUIE-NRFANRHFSA-N 1 0 458.400 4.825 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]([NH+]2CCC(OCc3ccccc3F)CC2)[C@@H](O)c2ccccc21 ZINC001459771997 1067415961 /nfs/dbraw/zinc/41/59/61/1067415961.db2.gz BLMWRHTVWSEFTD-RPWUZVMVSA-N 1 0 456.558 4.664 20 0 JJADRO O=C(C[N@@H+]([C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cnccn1 ZINC001459781049 1067418219 /nfs/dbraw/zinc/41/82/19/1067418219.db2.gz YZUYRTWCKQVMBV-SYMSYNOKSA-N 1 0 452.443 4.959 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1 ZINC001459783214 1067419930 /nfs/dbraw/zinc/41/99/30/1067419930.db2.gz CJPABLSKPWFAMC-NDEPHWFRSA-N 1 0 457.618 4.857 20 0 JJADRO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](Cc2ccc(OC)c(OC)c2)C2CCCCC2)c1C ZINC001459783472 1067419963 /nfs/dbraw/zinc/41/99/63/1067419963.db2.gz BONUFCNGYCJOGQ-UHFFFAOYSA-N 1 0 456.583 4.843 20 0 JJADRO Cn1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1=O ZINC001459795820 1067427687 /nfs/dbraw/zinc/42/76/87/1067427687.db2.gz AKVBOZZVSKUIGU-MUUNZHRXSA-N 1 0 454.570 4.700 20 0 JJADRO COc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC001459799391 1067428578 /nfs/dbraw/zinc/42/85/78/1067428578.db2.gz SRFGTAZLLYSXBM-LJQANCHMSA-N 1 0 456.656 4.734 20 0 JJADRO CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001546112205 1067433367 /nfs/dbraw/zinc/43/33/67/1067433367.db2.gz ICQWWNBVSCIPLV-UHFFFAOYSA-N 1 0 472.703 4.551 20 0 JJADRO CCC[C@@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459812188 1067433955 /nfs/dbraw/zinc/43/39/55/1067433955.db2.gz CIFYAVPNKFMTTF-GGAORHGYSA-N 1 0 456.428 4.689 20 0 JJADRO CC(C)([C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001459816522 1067435900 /nfs/dbraw/zinc/43/59/00/1067435900.db2.gz WTCYQUNUNBEBLQ-HXUWFJFHSA-N 1 0 458.521 4.666 20 0 JJADRO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](O)c1cc(OC)ccc1OC ZINC001459819654 1067437633 /nfs/dbraw/zinc/43/76/33/1067437633.db2.gz IMZBUSQOPPUMEZ-DENIHFKCSA-N 1 0 452.517 4.747 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)c1cc(F)ccc1N1CCC(O)CC1 ZINC001459823448 1067440237 /nfs/dbraw/zinc/44/02/37/1067440237.db2.gz ASXGHUGSXXGTTR-KGLIPLIRSA-N 1 0 454.373 4.771 20 0 JJADRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC001459823450 1067440249 /nfs/dbraw/zinc/44/02/49/1067440249.db2.gz ASXGHUGSXXGTTR-ZIAGYGMSSA-N 1 0 454.373 4.771 20 0 JJADRO COc1ccc(NC(=O)C[N@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)c(OC)c1 ZINC001459831392 1067444368 /nfs/dbraw/zinc/44/43/68/1067444368.db2.gz CRRDNYPFJXCVGQ-PGRDOPGGSA-N 1 0 456.583 4.740 20 0 JJADRO CS(=O)(=O)c1ccc(OCCC[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)cc1 ZINC001459833667 1067444864 /nfs/dbraw/zinc/44/48/64/1067444864.db2.gz CIJZRAZHGMYXBP-NRFANRHFSA-N 1 0 452.414 4.753 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)[C@@H](O)c2ccccc21 ZINC001459835237 1067445953 /nfs/dbraw/zinc/44/59/53/1067445953.db2.gz LCHULOQLVJESPS-DLTYFMDKSA-N 1 0 456.558 4.571 20 0 JJADRO COC(=O)c1cc(Br)c(C[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)cc1OC ZINC001459836630 1067446509 /nfs/dbraw/zinc/44/65/09/1067446509.db2.gz AZPBPLWGIYMTTM-BLVKFPJESA-N 1 0 456.764 4.764 20 0 JJADRO C[C@H]([NH2+]CC(=O)NCc1ccccc1Cn1cccn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001459843781 1067450015 /nfs/dbraw/zinc/45/00/15/1067450015.db2.gz QTNXVGXCQFUVFI-FQEVSTJZSA-N 1 0 458.537 4.830 20 0 JJADRO COc1cc([C@H](C)[NH2+]CCN2c3cccc4cccc(c34)S2(=O)=O)ccc1OCC(C)C ZINC001459843856 1067450639 /nfs/dbraw/zinc/45/06/39/1067450639.db2.gz QZYLCASVGJTHHA-SFHVURJKSA-N 1 0 454.592 4.743 20 0 JJADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)cc1Br ZINC001459845785 1067451320 /nfs/dbraw/zinc/45/13/20/1067451320.db2.gz YWUOTTCSZFUZBI-GFCCVEGCSA-N 1 0 456.178 4.818 20 0 JJADRO CC(C)(C)C[C@@H]([NH2+]C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)c1ccc(Cl)cc1 ZINC001459845627 1067451528 /nfs/dbraw/zinc/45/15/28/1067451528.db2.gz SQTDEUVQFOCMLM-RBUKOAKNSA-N 1 0 451.007 4.960 20 0 JJADRO COc1cc([C@H](C)[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)ccc1OCCC(C)C ZINC001459846599 1067452075 /nfs/dbraw/zinc/45/20/75/1067452075.db2.gz YPPBNCLBXLOUPM-DFBJGRDBSA-N 1 0 450.620 4.533 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc2ccccc2c1 ZINC001459847123 1067452463 /nfs/dbraw/zinc/45/24/63/1067452463.db2.gz CIWQWKDTUZOAPA-JWQCQUIFSA-N 1 0 450.579 4.573 20 0 JJADRO C[C@H]([NH2+]CCC1CN(C(=O)OC(C)(C)C)C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001459849649 1067454554 /nfs/dbraw/zinc/45/45/54/1067454554.db2.gz WSOSMRMMAMVRLB-SFHVURJKSA-N 1 0 455.574 4.915 20 0 JJADRO C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850122 1067455028 /nfs/dbraw/zinc/45/50/28/1067455028.db2.gz ZTPNSZYRONBTRT-IERDGZPVSA-N 1 0 451.945 4.545 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@H](c2ccccc2C)C(C)C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459850088 1067455106 /nfs/dbraw/zinc/45/51/06/1067455106.db2.gz NASRGFJXJXYMMQ-XZOQPEGZSA-N 1 0 455.986 4.806 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[NH2+][C@H](COc3ccccc3)c3ccccc3)C2)C1 ZINC001459851743 1067456689 /nfs/dbraw/zinc/45/66/89/1067456689.db2.gz SCFPCMLJQCBDRK-FKCDAAJZSA-N 1 0 452.595 4.812 20 0 JJADRO Cc1oc(NC(=O)C[NH2+][C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)c2c1c(C)n[nH]c2=O ZINC001459852025 1067457165 /nfs/dbraw/zinc/45/71/65/1067457165.db2.gz AATASNVCMHZLDE-INIZCTEOSA-N 1 0 450.461 4.880 20 0 JJADRO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001459853115 1067457761 /nfs/dbraw/zinc/45/77/61/1067457761.db2.gz YBXLCINUJYTKGY-HSZRJFAPSA-N 1 0 457.958 4.671 20 0 JJADRO CC1CC[NH+](Cc2ccccc2CNC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC001459858924 1067460894 /nfs/dbraw/zinc/46/08/94/1067460894.db2.gz ZHHLUHQWPFBZEI-UHFFFAOYSA-N 1 0 453.671 4.790 20 0 JJADRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001459864675 1067463102 /nfs/dbraw/zinc/46/31/02/1067463102.db2.gz BXFFHWMAOONFIB-HXUWFJFHSA-N 1 0 458.436 4.668 20 0 JJADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 ZINC001459866917 1067464056 /nfs/dbraw/zinc/46/40/56/1067464056.db2.gz TZPABESAXUWSKD-AREMUKBSSA-N 1 0 459.546 4.636 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001459869428 1067466235 /nfs/dbraw/zinc/46/62/35/1067466235.db2.gz UARKWELHJYCQFH-JKSUJKDBSA-N 1 0 452.555 4.754 20 0 JJADRO C[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870062 1067466931 /nfs/dbraw/zinc/46/69/31/1067466931.db2.gz NMFVYFZNKJULBX-FCHUYYIVSA-N 1 0 452.542 4.914 20 0 JJADRO COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459871313 1067467229 /nfs/dbraw/zinc/46/72/29/1067467229.db2.gz REVYSOUHTAZJPY-AABGKKOBSA-N 1 0 453.501 4.730 20 0 JJADRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)cc1OC ZINC001459885485 1067473119 /nfs/dbraw/zinc/47/31/19/1067473119.db2.gz NLCOHWKEOHXDFT-YADARESESA-N 1 0 450.554 4.902 20 0 JJADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)cc1OC ZINC001459885483 1067473180 /nfs/dbraw/zinc/47/31/80/1067473180.db2.gz NLCOHWKEOHXDFT-DVECYGJZSA-N 1 0 450.554 4.902 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546112602 1067481419 /nfs/dbraw/zinc/48/14/19/1067481419.db2.gz XPWPSXOZAUJNQE-ZRZAMGCNSA-N 1 0 469.674 4.681 20 0 JJADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC001459903724 1067481877 /nfs/dbraw/zinc/48/18/77/1067481877.db2.gz LYBCJTPGZMWQKH-ZFWWWQNUSA-N 1 0 454.983 4.796 20 0 JJADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC001459903717 1067481913 /nfs/dbraw/zinc/48/19/13/1067481913.db2.gz LYBCJTPGZMWQKH-UKRRQHHQSA-N 1 0 454.983 4.796 20 0 JJADRO O=C(C[N@H+](CCCOc1ccccc1)C1CCOCC1)Nc1nc(-c2cccs2)cs1 ZINC001459905119 1067482497 /nfs/dbraw/zinc/48/24/97/1067482497.db2.gz JJJORPQIWZBTFA-UHFFFAOYSA-N 1 0 457.621 4.760 20 0 JJADRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC001459931887 1067496375 /nfs/dbraw/zinc/49/63/75/1067496375.db2.gz HNPGMEBBAQQFRI-NRFANRHFSA-N 1 0 452.599 4.873 20 0 JJADRO O=C(C[NH+]1CCC(CCCn2ccnc2)CC1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001459931353 1067496411 /nfs/dbraw/zinc/49/64/11/1067496411.db2.gz JEBCNNOEUHXQJA-AREMUKBSSA-N 1 0 451.014 4.935 20 0 JJADRO O=C(C[NH+]1CCC(CCCn2ccnc2)CC1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001459931357 1067496500 /nfs/dbraw/zinc/49/65/00/1067496500.db2.gz JEBCNNOEUHXQJA-SANMLTNESA-N 1 0 451.014 4.935 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3Cl)cc2C)c1 ZINC001459933242 1067497418 /nfs/dbraw/zinc/49/74/18/1067497418.db2.gz HFVIIILODXGFIF-UHFFFAOYSA-N 1 0 454.958 4.585 20 0 JJADRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1)C1CCCC1 ZINC001459938946 1067499629 /nfs/dbraw/zinc/49/96/29/1067499629.db2.gz WOZYEANPRJOWJP-QGZVFWFLSA-N 1 0 450.505 4.816 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C)c1ccc(Cl)cc1 ZINC001459943094 1067501114 /nfs/dbraw/zinc/50/11/14/1067501114.db2.gz BPAOZOBRRIUZCS-QFIPXVFZSA-N 1 0 456.034 4.679 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C)c1ccc(Cl)cc1 ZINC001459943083 1067501166 /nfs/dbraw/zinc/50/11/66/1067501166.db2.gz BPAOZOBRRIUZCS-JOCHJYFZSA-N 1 0 456.034 4.679 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001459944946 1067501992 /nfs/dbraw/zinc/50/19/92/1067501992.db2.gz YGTKUBMAPVWTGB-AKIFATBCSA-N 1 0 458.002 4.544 20 0 JJADRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(C(=O)Nc3ccccc3)cc2)cn1 ZINC001459945706 1067502329 /nfs/dbraw/zinc/50/23/29/1067502329.db2.gz SSQRRCRVSSIWHD-MHZLTWQESA-N 1 0 454.574 4.891 20 0 JJADRO CC(C)N1C(=O)C[C@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459947644 1067502659 /nfs/dbraw/zinc/50/26/59/1067502659.db2.gz BDILCLLUZKMKIM-QKNQBKEWSA-N 1 0 458.883 4.872 20 0 JJADRO CC(C)N1C(=O)C[C@@H]([NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459950761 1067504451 /nfs/dbraw/zinc/50/44/51/1067504451.db2.gz OSESNFQXOOAYSS-QBLKZJFASA-N 1 0 468.013 4.813 20 0 JJADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001459951803 1067504754 /nfs/dbraw/zinc/50/47/54/1067504754.db2.gz QTBQDYICMOHWOC-LADGPHEKSA-N 1 0 459.993 4.705 20 0 JJADRO Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2=O)c1 ZINC001459953026 1067505389 /nfs/dbraw/zinc/50/53/89/1067505389.db2.gz NZCWMWVWDDWROH-NRFANRHFSA-N 1 0 459.606 4.743 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cc(Cl)cc(F)c3Br)cc2)CC1 ZINC001459957325 1067507219 /nfs/dbraw/zinc/50/72/19/1067507219.db2.gz DDQGYWZQKXGXBJ-UHFFFAOYSA-N 1 0 455.755 4.645 20 0 JJADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC001459958918 1067507492 /nfs/dbraw/zinc/50/74/92/1067507492.db2.gz CXPVVNDTSJAXAS-FYYLOGMGSA-N 1 0 455.624 4.930 20 0 JJADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC001459958923 1067507672 /nfs/dbraw/zinc/50/76/72/1067507672.db2.gz CXPVVNDTSJAXAS-GMAHTHKFSA-N 1 0 455.624 4.930 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001459961874 1067508858 /nfs/dbraw/zinc/50/88/58/1067508858.db2.gz JACOQZIEPFMHSB-AHWVRZQESA-N 1 0 455.602 4.865 20 0 JJADRO O=C(CC[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1)Nc1ccc2c(c1)OCO2 ZINC001459974436 1067511905 /nfs/dbraw/zinc/51/19/05/1067511905.db2.gz RMTPXRZSQZSJNZ-UHFFFAOYSA-N 1 0 450.457 4.554 20 0 JJADRO CCOC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001459992011 1067517905 /nfs/dbraw/zinc/51/79/05/1067517905.db2.gz FASGZZVZCVNVMW-YWZLYKJASA-N 1 0 456.414 4.504 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC001459996474 1067519899 /nfs/dbraw/zinc/51/98/99/1067519899.db2.gz RRDCTSVZWQEJQD-JTHBVZDNSA-N 1 0 457.659 4.678 20 0 JJADRO C[C@H]([NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC001459999637 1067520968 /nfs/dbraw/zinc/52/09/68/1067520968.db2.gz SQENNBWDQPEOEN-FPTDNZKUSA-N 1 0 458.375 4.858 20 0 JJADRO CCCCn1c(C[NH2+]C(C)(C)C2CCCCC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001460015118 1067528172 /nfs/dbraw/zinc/52/81/72/1067528172.db2.gz CVOOYANLCNGHSL-UHFFFAOYSA-N 1 0 451.615 4.596 20 0 JJADRO OC[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)c1ccc(Cl)cc1C(F)(F)F ZINC001460020048 1067530497 /nfs/dbraw/zinc/53/04/97/1067530497.db2.gz WBKUDDMQRMCTDR-HOTGVXAUSA-N 1 0 456.661 4.617 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)CC1 ZINC001460029975 1067533532 /nfs/dbraw/zinc/53/35/32/1067533532.db2.gz OXBNAJJAVKGQOX-UHFFFAOYSA-N 1 0 458.521 4.828 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)C1 ZINC001460030506 1067534074 /nfs/dbraw/zinc/53/40/74/1067534074.db2.gz PMMJSSTVMMTHTR-JOCHJYFZSA-N 1 0 459.631 4.662 20 0 JJADRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039516 1067536365 /nfs/dbraw/zinc/53/63/65/1067536365.db2.gz LKZBYZCQXZOWOY-CIQXWFTPSA-N 1 0 455.624 4.591 20 0 JJADRO COc1cc(OC)c(NC(=O)CC[NH+]2CCC(n3c(C)nc4ccccc43)CC2)cc1Cl ZINC001460046505 1067538448 /nfs/dbraw/zinc/53/84/48/1067538448.db2.gz DGUXWBGHYVVSRN-UHFFFAOYSA-N 1 0 456.974 4.681 20 0 JJADRO CCCC[C@](C)([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Br)c1 ZINC001460048751 1067539300 /nfs/dbraw/zinc/53/93/00/1067539300.db2.gz DWDJSWAXTXEKJG-NRFANRHFSA-N 1 0 453.446 4.895 20 0 JJADRO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC001460051805 1067539664 /nfs/dbraw/zinc/53/96/64/1067539664.db2.gz OXFUWAIIERAULZ-DEOSSOPVSA-N 1 0 451.611 4.595 20 0 JJADRO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001460059940 1067541904 /nfs/dbraw/zinc/54/19/04/1067541904.db2.gz XOQZPPLHVNNJHF-AWEZNQCLSA-N 1 0 451.514 4.949 20 0 JJADRO C[C@H](NC(=O)C[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccc(Cl)cc1Cl ZINC001460062311 1067542522 /nfs/dbraw/zinc/54/25/22/1067542522.db2.gz OYYVDVVALIOLIP-IGMJJTELSA-N 1 0 458.430 4.794 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC001460062788 1067542784 /nfs/dbraw/zinc/54/27/84/1067542784.db2.gz GHAYVKXXPVKTET-UHFFFAOYSA-N 1 0 450.558 4.638 20 0 JJADRO C[C@@H](NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC001460063487 1067543349 /nfs/dbraw/zinc/54/33/49/1067543349.db2.gz HTHGVOXOYYDOQR-MRXNPFEDSA-N 1 0 454.464 4.583 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001460067283 1067544545 /nfs/dbraw/zinc/54/45/45/1067544545.db2.gz DJAHFDKKTCCROK-RTJMFUJLSA-N 1 0 450.623 4.751 20 0 JJADRO C[C@H]([NH2+]C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)c1ccc(Oc2cccnc2)cc1 ZINC001460072440 1067545943 /nfs/dbraw/zinc/54/59/43/1067545943.db2.gz VWBDPPJFBVFWRW-CZZAQMAHSA-N 1 0 453.583 4.941 20 0 JJADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC001460077337 1067548121 /nfs/dbraw/zinc/54/81/21/1067548121.db2.gz APTQLFWSBHUPTQ-YADARESESA-N 1 0 456.652 4.792 20 0 JJADRO COc1cc(Br)ccc1CCC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC001460090458 1067551767 /nfs/dbraw/zinc/55/17/67/1067551767.db2.gz OVNDSLNXHRHIEM-IBGZPJMESA-N 1 0 457.206 4.650 20 0 JJADRO CC(C)c1ccc(CN(C(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)C2CC2)cc1 ZINC001460090505 1067551802 /nfs/dbraw/zinc/55/18/02/1067551802.db2.gz PPRZMPTUEXQJPR-DEOSSOPVSA-N 1 0 459.428 4.561 20 0 JJADRO Cc1oc2ccccc2c1CC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC001460092170 1067552259 /nfs/dbraw/zinc/55/22/59/1067552259.db2.gz GUVFKNLNEZCYDL-HNNXBMFYSA-N 1 0 456.384 4.825 20 0 JJADRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC001460097447 1067554493 /nfs/dbraw/zinc/55/44/93/1067554493.db2.gz VKIWODPGJPLRHJ-TYCQWZJGSA-N 1 0 456.428 4.894 20 0 JJADRO O=C(C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1)NCc1ccc(N2CCCC2=O)cc1 ZINC001460100519 1067555241 /nfs/dbraw/zinc/55/52/41/1067555241.db2.gz OJQPXMBGLCUCPQ-BJKOFHAPSA-N 1 0 454.014 4.789 20 0 JJADRO Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cs1 ZINC001460106667 1067556195 /nfs/dbraw/zinc/55/61/95/1067556195.db2.gz RKPRJUPQFMMOCT-UHFFFAOYSA-N 1 0 454.684 4.840 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001460111579 1067557401 /nfs/dbraw/zinc/55/74/01/1067557401.db2.gz CZOJGLOGYHVLOE-UXHICEINSA-N 1 0 459.414 4.766 20 0 JJADRO CC(C)n1cc(C2=CCC[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)nn1 ZINC001460147324 1067564935 /nfs/dbraw/zinc/56/49/35/1067564935.db2.gz DLMWFSZNZBGKQA-UHFFFAOYSA-N 1 0 453.388 4.758 20 0 JJADRO COc1cccc(NC(=O)CCN(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001460149663 1067565360 /nfs/dbraw/zinc/56/53/60/1067565360.db2.gz FUAVUXBALLSAMH-AREMUKBSSA-N 1 0 458.606 4.586 20 0 JJADRO COc1cccc(NC(=O)CCN(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001460149669 1067565657 /nfs/dbraw/zinc/56/56/57/1067565657.db2.gz FUAVUXBALLSAMH-SANMLTNESA-N 1 0 458.606 4.586 20 0 JJADRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1cccnc1 ZINC001460159365 1067567091 /nfs/dbraw/zinc/56/70/91/1067567091.db2.gz DJMGWHXYWCPCQW-GOTSBHOMSA-N 1 0 455.396 4.894 20 0 JJADRO COC(=O)c1cccc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1Cl ZINC001460160663 1067567566 /nfs/dbraw/zinc/56/75/66/1067567566.db2.gz HSTICBCBQZOXAJ-REWPJTCUSA-N 1 0 455.913 4.807 20 0 JJADRO CCOC(=O)[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460160034 1067567677 /nfs/dbraw/zinc/56/76/77/1067567677.db2.gz UJEPXXQBQNGEBZ-VXNXHJTFSA-N 1 0 458.643 4.910 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CCC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC001460167544 1067568754 /nfs/dbraw/zinc/56/87/54/1067568754.db2.gz CKWFZXYFALWFGH-LJQANCHMSA-N 1 0 459.400 4.639 20 0 JJADRO CCc1cc2c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1O ZINC001460171031 1067569605 /nfs/dbraw/zinc/56/96/05/1067569605.db2.gz ABQAWVZDGHZYRI-WIYYLYMNSA-N 1 0 456.583 4.673 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001460177097 1067571480 /nfs/dbraw/zinc/57/14/80/1067571480.db2.gz IBWKMUXNVWZFHA-OTUUDDROSA-N 1 0 471.642 4.516 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001460177095 1067571534 /nfs/dbraw/zinc/57/15/34/1067571534.db2.gz IBWKMUXNVWZFHA-CDIGIKMISA-N 1 0 471.642 4.516 20 0 JJADRO COC(=O)c1cccc(C[NH+]2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1Cl ZINC001460180474 1067572314 /nfs/dbraw/zinc/57/23/14/1067572314.db2.gz OAPDHUYIVJYHKF-FGZHOGPDSA-N 1 0 456.970 4.654 20 0 JJADRO O=C(CC[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1)Nc1cc(F)cc(F)c1 ZINC001460181174 1067572661 /nfs/dbraw/zinc/57/26/61/1067572661.db2.gz RLIHWGZFGTWXOZ-BTYIYWSLSA-N 1 0 453.327 4.502 20 0 JJADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@H]3CCN(C)[C@H]3c3ccc(F)cc3)n2)cc1C ZINC001460191798 1067575544 /nfs/dbraw/zinc/57/55/44/1067575544.db2.gz HCINIALVFCNWCH-QPPBQGQZSA-N 1 0 452.599 4.848 20 0 JJADRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460192930 1067576177 /nfs/dbraw/zinc/57/61/77/1067576177.db2.gz AXKVHWRMFBXXDH-YTFSRNRJSA-N 1 0 458.643 4.971 20 0 JJADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3ccc(Sc4cc(C)ccc4C)cc3)[C@H]2C1 ZINC001460198161 1067576874 /nfs/dbraw/zinc/57/68/74/1067576874.db2.gz VTUAXFSBDGJKHC-OYDLWJJNSA-N 1 0 451.636 4.630 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)CC2)cc1 ZINC001460213169 1067580672 /nfs/dbraw/zinc/58/06/72/1067580672.db2.gz NBFMATRJHVENMQ-HHHXNRCGSA-N 1 0 457.574 4.546 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)[NH+](C)C)CCS1 ZINC001546114687 1067580996 /nfs/dbraw/zinc/58/09/96/1067580996.db2.gz BVDVCDPEWITBHR-INIZCTEOSA-N 1 0 466.493 4.770 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)[NH+](C)C)CCS1 ZINC001546114688 1067581317 /nfs/dbraw/zinc/58/13/17/1067581317.db2.gz BVDVCDPEWITBHR-MRXNPFEDSA-N 1 0 466.493 4.770 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCC2)CCS1 ZINC001546114811 1067583002 /nfs/dbraw/zinc/58/30/02/1067583002.db2.gz HJEGCVAKRCHTLB-UHFFFAOYSA-N 1 0 481.508 4.632 20 0 JJADRO Cc1cccc(S(=O)(=O)CCC[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460222256 1067583575 /nfs/dbraw/zinc/58/35/75/1067583575.db2.gz RKRPJPHJDWBBLA-RRPNLBNLSA-N 1 0 466.622 4.556 20 0 JJADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001460225111 1067583812 /nfs/dbraw/zinc/58/38/12/1067583812.db2.gz DRSQTSKLIAOMBR-MDASCCDHSA-N 1 0 460.537 4.629 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[NH+]3CCC(Cc4cc(F)ccc4F)CC3)C2)C1 ZINC001460232581 1067585858 /nfs/dbraw/zinc/58/58/58/1067585858.db2.gz DKJICZWAHYUSBP-PXDATVDWSA-N 1 0 450.570 4.635 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](C[NH+]3CCC(Cc4cc(F)ccc4F)CC3)C2)C1 ZINC001460232572 1067585906 /nfs/dbraw/zinc/58/59/06/1067585906.db2.gz DKJICZWAHYUSBP-BWKNWUBXSA-N 1 0 450.570 4.635 20 0 JJADRO C[NH+](C)CCCC(C)(C)NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001460235247 1067586996 /nfs/dbraw/zinc/58/69/96/1067586996.db2.gz LOLDSKBQFLMSSB-UHFFFAOYSA-N 1 0 456.940 4.883 20 0 JJADRO Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460237355 1067587349 /nfs/dbraw/zinc/58/73/49/1067587349.db2.gz ADHLTSJKLQLMDC-PGRDOPGGSA-N 1 0 459.537 4.595 20 0 JJADRO COc1ccc([C@@H](O)C[N@H+](CC(=O)Nc2cccc(Cl)c2)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238401 1067587632 /nfs/dbraw/zinc/58/76/32/1067587632.db2.gz DGZVLDSVZACTKP-DFBJGRDBSA-N 1 0 452.982 4.954 20 0 JJADRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1 ZINC001460237943 1067587747 /nfs/dbraw/zinc/58/77/47/1067587747.db2.gz GGYZDAJPPFTLRJ-RTBURBONSA-N 1 0 468.623 4.599 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)C1 ZINC001460238956 1067588113 /nfs/dbraw/zinc/58/81/13/1067588113.db2.gz JNSLCIYSSVKORY-OFNKIYASSA-N 1 0 459.562 4.765 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C1 ZINC001460238923 1067588238 /nfs/dbraw/zinc/58/82/38/1067588238.db2.gz JHOYJSMHRYIUBV-RBBKRZOGSA-N 1 0 453.023 4.893 20 0 JJADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC001460239913 1067588805 /nfs/dbraw/zinc/58/88/05/1067588805.db2.gz HQBMOVGSNUDFEB-QHCPKHFHSA-N 1 0 456.652 4.685 20 0 JJADRO C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460240528 1067589196 /nfs/dbraw/zinc/58/91/96/1067589196.db2.gz LTMXLYJYNHGKRD-DLBZAZTESA-N 1 0 456.562 4.622 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)[N@H+](C)C2CC2)CCS1 ZINC001546115018 1067589571 /nfs/dbraw/zinc/58/95/71/1067589571.db2.gz OUCIADUBZPGENV-GOSISDBHSA-N 1 0 473.687 4.557 20 0 JJADRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260978 1067593000 /nfs/dbraw/zinc/59/30/00/1067593000.db2.gz XLIBBJODNADTBE-APWZRJJASA-N 1 0 456.505 4.524 20 0 JJADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001460274266 1067595422 /nfs/dbraw/zinc/59/54/22/1067595422.db2.gz XCNRRTJEVQRXPP-HDAAZOAOSA-N 1 0 457.615 4.823 20 0 JJADRO C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279601 1067597110 /nfs/dbraw/zinc/59/71/10/1067597110.db2.gz ZUCBDFQYRLMBMU-UXHICEINSA-N 1 0 451.652 4.745 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCC[C@@H](C)C2)CCS1 ZINC001546115263 1067598648 /nfs/dbraw/zinc/59/86/48/1067598648.db2.gz YGRZVYGZUKBYEA-QGZVFWFLSA-N 1 0 495.535 4.880 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001546115264 1067598831 /nfs/dbraw/zinc/59/88/31/1067598831.db2.gz YGWVDOGZDFSXJG-NRFANRHFSA-N 1 0 478.106 4.557 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1c1ccccc1 ZINC001460302204 1067602400 /nfs/dbraw/zinc/60/24/00/1067602400.db2.gz OUEVLZMUHDLAAV-LEWJYISDSA-N 1 0 453.970 4.990 20 0 JJADRO COC(=O)c1cc(C[N@H+](Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C ZINC001460305364 1067603357 /nfs/dbraw/zinc/60/33/57/1067603357.db2.gz QRDMKORKQLDSTF-UHFFFAOYSA-N 1 0 453.583 4.578 20 0 JJADRO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460313789 1067605489 /nfs/dbraw/zinc/60/54/89/1067605489.db2.gz NGRZIEUYGYOWTH-AWEZNQCLSA-N 1 0 452.448 4.958 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H](O)c2cccc3ccccc32)C1 ZINC001460318649 1067606755 /nfs/dbraw/zinc/60/67/55/1067606755.db2.gz SHJVHSKHKIABPR-OCFYOKIWSA-N 1 0 454.611 4.800 20 0 JJADRO Cc1ccc(C(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)c(Br)n1 ZINC001460324261 1067607978 /nfs/dbraw/zinc/60/79/78/1067607978.db2.gz IQOJRXLFKUMVDM-OAQYLSRUSA-N 1 0 458.444 4.958 20 0 JJADRO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001460325011 1067608579 /nfs/dbraw/zinc/60/85/79/1067608579.db2.gz FOLIYTIPTJAPHK-CDNPAEQRSA-N 1 0 451.611 4.886 20 0 JJADRO CC(C)(C)OC(=O)NCCC1CC[NH+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC001460331263 1067609829 /nfs/dbraw/zinc/60/98/29/1067609829.db2.gz AHYGXOFHVAVEDY-UHFFFAOYSA-N 1 0 458.647 4.632 20 0 JJADRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460338353 1067611480 /nfs/dbraw/zinc/61/14/80/1067611480.db2.gz MGJAYJKLFPHYRH-QRWLVFNGSA-N 1 0 451.430 4.926 20 0 JJADRO CCCC[N@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)[C@H]1CCc2ncsc2C1 ZINC001460339845 1067611541 /nfs/dbraw/zinc/61/15/41/1067611541.db2.gz QLRIERPELRGFDW-NRFANRHFSA-N 1 0 451.640 4.852 20 0 JJADRO CC[C@@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001460346066 1067613427 /nfs/dbraw/zinc/61/34/27/1067613427.db2.gz HYJCFXRKXNEHLC-ATIYNZHBSA-N 1 0 458.606 4.961 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2CCS[C@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362418 1067618550 /nfs/dbraw/zinc/61/85/50/1067618550.db2.gz OWSONFACWFNPFA-RPBOFIJWSA-N 1 0 452.645 4.805 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001460388445 1067624305 /nfs/dbraw/zinc/62/43/05/1067624305.db2.gz IDXFRBFNRFLNOL-YPAWHYETSA-N 1 0 477.621 4.908 20 0 JJADRO CN(CCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(=O)OC(C)(C)C ZINC001460401240 1067627260 /nfs/dbraw/zinc/62/72/60/1067627260.db2.gz BKZMSRLXWTZPQT-NHCUHLMSSA-N 1 0 465.610 4.765 20 0 JJADRO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CCC[C@]3(C)Cc3ccccc3Cl)cc2)C[C@H](C)O1 ZINC001460404139 1067627786 /nfs/dbraw/zinc/62/77/86/1067627786.db2.gz NEGRECBEWPAIFM-BVFVYWQFSA-N 1 0 456.030 4.989 20 0 JJADRO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460409510 1067629231 /nfs/dbraw/zinc/62/92/31/1067629231.db2.gz KOUJVBWMTHCXQC-LJQANCHMSA-N 1 0 450.023 4.946 20 0 JJADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460454739 1067637560 /nfs/dbraw/zinc/63/75/60/1067637560.db2.gz IZPRMXPDNKUEND-IRLDBZIGSA-N 1 0 479.621 4.871 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CCS1 ZINC001546116453 1067639618 /nfs/dbraw/zinc/63/96/18/1067639618.db2.gz VODVVSZVUKRHCN-QHCPKHFHSA-N 1 0 480.682 4.764 20 0 JJADRO CCOC(=O)c1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)sc2c1CCCC2 ZINC001460482094 1067642786 /nfs/dbraw/zinc/64/27/86/1067642786.db2.gz SLAYXNWBJGLWNT-HOTGVXAUSA-N 1 0 456.608 4.806 20 0 JJADRO CCOC(=O)c1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCO3)sc2c1CCCC2 ZINC001460482084 1067642855 /nfs/dbraw/zinc/64/28/55/1067642855.db2.gz SLAYXNWBJGLWNT-CVEARBPZSA-N 1 0 456.608 4.806 20 0 JJADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@H](c3ccccn3)C3CCC3)cc2)cc1 ZINC001460487845 1067644131 /nfs/dbraw/zinc/64/41/31/1067644131.db2.gz YXBQKIOERSSWFS-SANMLTNESA-N 1 0 458.562 4.802 20 0 JJADRO COc1ccc(N=c2scc(C[N@@H+]3CC[C@H](C)[C@@H](CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001460501891 1067645776 /nfs/dbraw/zinc/64/57/76/1067645776.db2.gz FCOXTJAQTFUPRP-JAXLGGSGSA-N 1 0 451.636 4.850 20 0 JJADRO CC[C@H](CO)[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CCC(C(C)(C)C)CC1 ZINC001460508711 1067646694 /nfs/dbraw/zinc/64/66/94/1067646694.db2.gz WRGAPCZAAKVLIL-IOJLRTSASA-N 1 0 458.565 4.879 20 0 JJADRO COc1cc(OC)c(C2CC[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1 ZINC001460517012 1067647582 /nfs/dbraw/zinc/64/75/82/1067647582.db2.gz ZVPKKMWJOFCART-LJQANCHMSA-N 1 0 453.501 4.514 20 0 JJADRO COC(=O)c1cnc([C@@H]2CCC[N@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001460525773 1067650260 /nfs/dbraw/zinc/65/02/60/1067650260.db2.gz LNJKGEAQQMKXNA-GOSISDBHSA-N 1 0 451.633 4.536 20 0 JJADRO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 ZINC001460563724 1067656500 /nfs/dbraw/zinc/65/65/00/1067656500.db2.gz ZHQSTQHKTUIJCX-XUZZJYLKSA-N 1 0 459.512 4.698 20 0 JJADRO Cc1cccc(C[C@]2(C)CCC[N@@H+]2CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 ZINC001460563723 1067656558 /nfs/dbraw/zinc/65/65/58/1067656558.db2.gz ZHQSTQHKTUIJCX-URXFXBBRSA-N 1 0 459.512 4.698 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](C[C@@H]3CCC4(CCCCCC4)O3)CC2)C1 ZINC001460564863 1067657146 /nfs/dbraw/zinc/65/71/46/1067657146.db2.gz IJTCWZCWPRYISF-PKTZIBPZSA-N 1 0 450.664 4.996 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C1 ZINC001460566629 1067657692 /nfs/dbraw/zinc/65/76/92/1067657692.db2.gz LAEQQGHVYSJMTI-PWIZWCRZSA-N 1 0 453.421 4.594 20 0 JJADRO CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC001460602769 1067667509 /nfs/dbraw/zinc/66/75/09/1067667509.db2.gz JKTLQGHPDAXTQJ-GOSISDBHSA-N 1 0 452.311 4.637 20 0 JJADRO C[C@@H](C(=O)N(CC[NH+]1CCCCCC1)C1CCC1)c1ccc(I)cc1 ZINC001460605004 1067668644 /nfs/dbraw/zinc/66/86/44/1067668644.db2.gz HMMJCKZGQUAOHF-QGZVFWFLSA-N 1 0 454.396 4.652 20 0 JJADRO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC001460618257 1067674523 /nfs/dbraw/zinc/67/45/23/1067674523.db2.gz NRYLDEPQHHCIDL-JWQCQUIFSA-N 1 0 469.651 4.504 20 0 JJADRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC001460625004 1067676875 /nfs/dbraw/zinc/67/68/75/1067676875.db2.gz BJWQINXNOGIKQU-NEQSPQRTSA-N 1 0 452.782 4.621 20 0 JJADRO O=C(C[NH+]1CCC(Cc2ccccc2Cl)CC1)NCc1cccc(OCC(F)(F)F)c1 ZINC001460644887 1067684009 /nfs/dbraw/zinc/68/40/09/1067684009.db2.gz UXOWJBNMVIFCBG-UHFFFAOYSA-N 1 0 454.920 4.852 20 0 JJADRO COc1cc(-c2noc(C[N@@H+]3CCC[C@]3(C)Cc3ccc(F)c(F)c3)n2)cc(OC)c1OC ZINC001460646777 1067684624 /nfs/dbraw/zinc/68/46/24/1067684624.db2.gz RRULBWVTOGIERB-XMMPIXPASA-N 1 0 459.493 4.638 20 0 JJADRO CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CCS1 ZINC001546117992 1067689908 /nfs/dbraw/zinc/68/99/08/1067689908.db2.gz UQRQDZZOWWERAL-IMSXRSKXSA-N 1 0 463.736 4.795 20 0 JJADRO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460660378 1067691807 /nfs/dbraw/zinc/69/18/07/1067691807.db2.gz OBEOREKKOYVINF-XMMPIXPASA-N 1 0 457.574 4.826 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC001460664405 1067693070 /nfs/dbraw/zinc/69/30/70/1067693070.db2.gz IJVODHIMIXNREA-APWZRJJASA-N 1 0 455.521 4.755 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC001460673375 1067696024 /nfs/dbraw/zinc/69/60/24/1067696024.db2.gz DFPWAAWGYGSIMJ-LJQANCHMSA-N 1 0 456.608 4.920 20 0 JJADRO O=C(Cc1csc(Cc2ccc(F)cc2)n1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001460678212 1067698107 /nfs/dbraw/zinc/69/81/07/1067698107.db2.gz AWMRMJHOALKKED-QFIPXVFZSA-N 1 0 451.611 4.834 20 0 JJADRO CCC1(CC)CN(c2nnc(C3CCC3)n2Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC001546117799 1067698152 /nfs/dbraw/zinc/69/81/52/1067698152.db2.gz PILNVGIGQPMONT-UHFFFAOYSA-N 1 0 457.688 4.646 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001460680165 1067699194 /nfs/dbraw/zinc/69/91/94/1067699194.db2.gz SIHYISLNOKNDKJ-JOCHJYFZSA-N 1 0 457.537 4.907 20 0 JJADRO CCc1ccc(C[NH+]2CCN(Cc3ccc(I)c(Cl)c3)CC2)cc1 ZINC001460698615 1067704188 /nfs/dbraw/zinc/70/41/88/1067704188.db2.gz FNEGATNRMDGKJW-UHFFFAOYSA-N 1 0 454.783 4.825 20 0 JJADRO C[C@@H](CSc1ccccc1)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460708436 1067705736 /nfs/dbraw/zinc/70/57/36/1067705736.db2.gz MCMPXDRCIWYUOX-FQEVSTJZSA-N 1 0 458.071 4.881 20 0 JJADRO Cc1cccc(CSCC(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC001460709878 1067706297 /nfs/dbraw/zinc/70/62/97/1067706297.db2.gz PZERWFQOMPBHIU-UHFFFAOYSA-N 1 0 458.071 4.695 20 0 JJADRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+](C[C@@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713938 1067707196 /nfs/dbraw/zinc/70/71/96/1067707196.db2.gz USFFNROARTWBHV-CRAIPNDOSA-N 1 0 453.004 4.922 20 0 JJADRO COc1cccc([C@H]2CC[N@H+](Cc3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2(C)C)c1 ZINC001460721421 1067709451 /nfs/dbraw/zinc/70/94/51/1067709451.db2.gz VEFGVOHSCUAEKN-LJQANCHMSA-N 1 0 453.539 4.539 20 0 JJADRO CN(C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)c1ccccc1Br ZINC001460732394 1067711710 /nfs/dbraw/zinc/71/17/10/1067711710.db2.gz RYRNJHUNXVBZGH-RDGATRHJSA-N 1 0 453.424 4.963 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c(OC)c1 ZINC001460747898 1067715112 /nfs/dbraw/zinc/71/51/12/1067715112.db2.gz XFJPOJDNELCXQP-FOIQADDNSA-N 1 0 452.473 4.617 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[C@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC001460751864 1067716099 /nfs/dbraw/zinc/71/60/99/1067716099.db2.gz RCGKFXVNWYLYBY-YMPZKCBVSA-N 1 0 450.664 4.900 20 0 JJADRO COC(=O)CNC(=O)CC[N@H+](C)Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl ZINC001460751908 1067716495 /nfs/dbraw/zinc/71/64/95/1067716495.db2.gz WEBDMNWUOGYGQW-UHFFFAOYSA-N 1 0 459.757 4.550 20 0 JJADRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2I)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460775660 1067721040 /nfs/dbraw/zinc/72/10/40/1067721040.db2.gz RBDFWNUWEUFIKQ-ZIAGYGMSSA-N 1 0 478.802 4.927 20 0 JJADRO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)[C@@H](CO)c1ccccc1C ZINC001460779360 1067722048 /nfs/dbraw/zinc/72/20/48/1067722048.db2.gz RYCGAQBFNSWQJP-NRFANRHFSA-N 1 0 452.576 4.504 20 0 JJADRO O=[S@@](CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC001460782756 1067722452 /nfs/dbraw/zinc/72/24/52/1067722452.db2.gz YWYRXTHZPXICCN-LUCMSJLKSA-N 1 0 465.368 4.754 20 0 JJADRO Cc1cc(C)c(NC(=O)CCC[N@H+]2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001460783558 1067723008 /nfs/dbraw/zinc/72/30/08/1067723008.db2.gz CFXSSUDNPWGKKZ-QZTJIDSGSA-N 1 0 457.537 4.718 20 0 JJADRO COc1ccc(C)cc1-n1ccc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)n1 ZINC001460789884 1067723925 /nfs/dbraw/zinc/72/39/25/1067723925.db2.gz DMIMUQBAKXODIU-UHFFFAOYSA-N 1 0 452.986 4.975 20 0 JJADRO C[N@@H+](Cc1cc(F)ccc1Oc1ccc(Br)cc1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC001460800027 1067726551 /nfs/dbraw/zinc/72/65/51/1067726551.db2.gz HEXYYFSZPSVWMR-SIKLNZKXSA-N 1 0 452.364 4.724 20 0 JJADRO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[NH2+][C@@]1(C)CCOc2ccccc21 ZINC001460826050 1067730272 /nfs/dbraw/zinc/73/02/72/1067730272.db2.gz WWRVQXUEMIWHBC-VWLOTQADSA-N 1 0 450.560 4.818 20 0 JJADRO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[NH2+][C@]1(C)CCOc2ccccc21 ZINC001460826046 1067730315 /nfs/dbraw/zinc/73/03/15/1067730315.db2.gz WWRVQXUEMIWHBC-RUZDIDTESA-N 1 0 450.560 4.818 20 0 JJADRO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](CCc1cccc(OC(F)(F)F)c1)CCO2 ZINC001460840336 1067732697 /nfs/dbraw/zinc/73/26/97/1067732697.db2.gz FBQNXPUHCHZWQW-UHFFFAOYSA-N 1 0 458.521 4.666 20 0 JJADRO COc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c(Cl)c(OC)c1 ZINC001460843995 1067733056 /nfs/dbraw/zinc/73/30/56/1067733056.db2.gz ZCERVRUWJGYXHD-LEWJYISDSA-N 1 0 451.954 4.607 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCS1 ZINC001546119564 1067734816 /nfs/dbraw/zinc/73/48/16/1067734816.db2.gz HWFCSIQGPWVMSR-JOCHJYFZSA-N 1 0 470.731 4.744 20 0 JJADRO Cc1noc(C[C@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4ccc(Br)cc4)cc3)C2)n1 ZINC001460857086 1067735510 /nfs/dbraw/zinc/73/55/10/1067735510.db2.gz MBVZJRNNSAKGNY-VGSWGCGISA-N 1 0 456.384 4.796 20 0 JJADRO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccs2)[NH+](C)C)CCS1 ZINC001546119750 1067739153 /nfs/dbraw/zinc/73/91/53/1067739153.db2.gz OTHJJKHGBMWXPC-HXUWFJFHSA-N 1 0 487.743 4.616 20 0 JJADRO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccs2)[NH+](C)C)CCS1 ZINC001546119749 1067739200 /nfs/dbraw/zinc/73/92/00/1067739200.db2.gz OTHJJKHGBMWXPC-FQEVSTJZSA-N 1 0 487.743 4.616 20 0 JJADRO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001460871519 1067739516 /nfs/dbraw/zinc/73/95/16/1067739516.db2.gz PEXXLDXAUULOTN-ZHRRBRCNSA-N 1 0 458.521 4.596 20 0 JJADRO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001460874668 1067739895 /nfs/dbraw/zinc/73/98/95/1067739895.db2.gz RPLKNGNHLQCGBA-OALUTQOASA-N 1 0 458.318 4.915 20 0 JJADRO COc1ccccc1N1CCC[N@H+](Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001460931012 1067750039 /nfs/dbraw/zinc/75/00/39/1067750039.db2.gz PYUDNYRHZCJBIE-UHFFFAOYSA-N 1 0 451.611 4.701 20 0 JJADRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@@H]1C ZINC001460936910 1067750770 /nfs/dbraw/zinc/75/07/70/1067750770.db2.gz HTWIYIBXTSPYQT-XHYPOGGOSA-N 1 0 454.636 4.520 20 0 JJADRO COCC[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c2ccccc21 ZINC001460949022 1067752227 /nfs/dbraw/zinc/75/22/27/1067752227.db2.gz GZUAKOFTHQCRRR-CPJSRVTESA-N 1 0 456.030 4.624 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]1CCCC2 ZINC001460978822 1067756049 /nfs/dbraw/zinc/75/60/49/1067756049.db2.gz VNWPFBSNMWDKGM-NLFFAJNJSA-N 1 0 451.652 4.650 20 0 JJADRO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H]3[C@H]4CCCN(C(=O)OC(C)(C)C)[C@@H]4C3(C)C)C2=O)c1 ZINC001460983137 1067756899 /nfs/dbraw/zinc/75/68/99/1067756899.db2.gz UDJVUDYLIVJDLE-YKWDRNOUSA-N 1 0 459.606 4.643 20 0 JJADRO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460983210 1067756910 /nfs/dbraw/zinc/75/69/10/1067756910.db2.gz UZHOINNSUQTIDM-SJORKVTESA-N 1 0 451.558 4.699 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]CC(=O)Nc3ccc(C(F)(F)F)cc3)C(C)(C)[C@H]21 ZINC001460983866 1067757303 /nfs/dbraw/zinc/75/73/03/1067757303.db2.gz WEQPOSQZBMXGGP-QRQLOZEOSA-N 1 0 455.521 4.658 20 0 JJADRO CC(C)[C@H](C[NH2+]Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)N1CCOCC1 ZINC001461014255 1067762337 /nfs/dbraw/zinc/76/23/37/1067762337.db2.gz SGLQAMUCXYSUDT-DEOSSOPVSA-N 1 0 454.615 4.542 20 0 JJADRO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC001461019081 1067763015 /nfs/dbraw/zinc/76/30/15/1067763015.db2.gz MNVGZWLBUIGEPS-HSZRJFAPSA-N 1 0 453.030 4.986 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC001461019221 1067763046 /nfs/dbraw/zinc/76/30/46/1067763046.db2.gz NWDJYHTVKVNZFQ-QGZVFWFLSA-N 1 0 454.785 4.730 20 0 JJADRO CCC(CC)[C@@H](C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)N1CCOCC1 ZINC001461030453 1067765604 /nfs/dbraw/zinc/76/56/04/1067765604.db2.gz ICUUKLQBKZDGSE-HXUWFJFHSA-N 1 0 452.462 4.799 20 0 JJADRO CCOC(=O)N[C@@H](C[NH2+]Cc1cc(Br)c(C)c(Br)c1)CC(C)C ZINC001461040905 1067767902 /nfs/dbraw/zinc/76/79/02/1067767902.db2.gz SVMGKIWLZJMNIZ-CQSZACIVSA-N 1 0 450.215 4.770 20 0 JJADRO C[C@@H]1CN([C@@H](C[NH2+]Cc2cc(Br)ccc2F)c2c(F)cccc2Cl)CCO1 ZINC001461053130 1067770652 /nfs/dbraw/zinc/77/06/52/1067770652.db2.gz ZZLPVJWPJTYUTJ-YJYMSZOUSA-N 1 0 459.762 4.932 20 0 JJADRO COc1ccc(CCC(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc1Br ZINC001461056994 1067771807 /nfs/dbraw/zinc/77/18/07/1067771807.db2.gz BIHNTCWVHJJFDZ-UHFFFAOYSA-N 1 0 452.418 4.642 20 0 JJADRO CC(C)(C)OC(=O)NCc1cccc(C[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)c1 ZINC001461067416 1067775053 /nfs/dbraw/zinc/77/50/53/1067775053.db2.gz GIAPQPFOVDSUDK-UHFFFAOYSA-N 1 0 458.606 4.959 20 0 JJADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001461085655 1067778725 /nfs/dbraw/zinc/77/87/25/1067778725.db2.gz NTHPUSMPOBDFMJ-UHFFFAOYSA-N 1 0 450.627 4.652 20 0 JJADRO O=C1CCCN1Cc1ccc(C[NH2+]Cc2ccc(Br)c(Br)c2)cc1 ZINC001461086333 1067778833 /nfs/dbraw/zinc/77/88/33/1067778833.db2.gz MDWTYZVHTFNGED-UHFFFAOYSA-N 1 0 452.190 4.624 20 0 JJADRO O=C1CCc2cc(OC[C@H](O)C[NH2+]Cc3c(Cl)cccc3Oc3ccccc3)ccc2N1 ZINC001461092672 1067780204 /nfs/dbraw/zinc/78/02/04/1067780204.db2.gz JWTJRYDTIUWWRG-GOSISDBHSA-N 1 0 452.938 4.547 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(Cl)cc(Br)c3)cc2)C[C@@H](C)O1 ZINC001461092717 1067780534 /nfs/dbraw/zinc/78/05/34/1067780534.db2.gz LBLVHJOYMIFBQD-HUUCEWRRSA-N 1 0 451.792 4.642 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(Br)c(Cl)c3)cc2)C[C@H](C)O1 ZINC001461093410 1067780549 /nfs/dbraw/zinc/78/05/49/1067780549.db2.gz RLURKVMCIOVMLI-GASCZTMLSA-N 1 0 451.792 4.642 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(Cl)cc(Br)c3)cc2)C[C@H](C)O1 ZINC001461092713 1067780639 /nfs/dbraw/zinc/78/06/39/1067780639.db2.gz LBLVHJOYMIFBQD-GASCZTMLSA-N 1 0 451.792 4.642 20 0 JJADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001461097605 1067781374 /nfs/dbraw/zinc/78/13/74/1067781374.db2.gz UXYSWPBASWUTCL-QGZVFWFLSA-N 1 0 457.855 4.522 20 0 JJADRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC001461102376 1067782410 /nfs/dbraw/zinc/78/24/10/1067782410.db2.gz YCWCRSOQILOWCQ-OAHLLOKOSA-N 1 0 457.206 4.551 20 0 JJADRO Clc1ccc(N2CC[C@H](C[NH2+]Cc3cc(Br)c4c(c3)OCCCO4)C2)cc1 ZINC001461118633 1067784955 /nfs/dbraw/zinc/78/49/55/1067784955.db2.gz DFTVBVWOMMPUQB-OAHLLOKOSA-N 1 0 451.792 4.880 20 0 JJADRO Clc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(Br)c4c(c3)OCCCO4)C2)cc1 ZINC001461118627 1067784963 /nfs/dbraw/zinc/78/49/63/1067784963.db2.gz DFTVBVWOMMPUQB-HNNXBMFYSA-N 1 0 451.792 4.880 20 0 JJADRO Fc1cccc(C[C@@H]([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)c2cccc(F)c2)c1 ZINC001461119929 1067785328 /nfs/dbraw/zinc/78/53/28/1067785328.db2.gz ITEKMQGLDWILDV-HHHXNRCGSA-N 1 0 452.545 4.749 20 0 JJADRO COc1ccc(OCc2ccccn2)c(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001461130250 1067787095 /nfs/dbraw/zinc/78/70/95/1067787095.db2.gz WABINLYKWXAUEX-PMACEKPBSA-N 1 0 455.599 4.794 20 0 JJADRO Cc1nc(CN2CCC(C[NH2+]Cc3cc(Cl)ccc3OCc3cccnc3)CC2)oc1C ZINC001461144673 1067788657 /nfs/dbraw/zinc/78/86/57/1067788657.db2.gz HUYGVGUHJLCSQV-UHFFFAOYSA-N 1 0 455.002 4.921 20 0 JJADRO FC(F)(F)c1ccc(Cn2cc(C[NH2+]Cc3cccc(COC4CCOCC4)c3)cn2)cc1 ZINC001461144143 1067788743 /nfs/dbraw/zinc/78/87/43/1067788743.db2.gz COZZFOSHJJSFCT-UHFFFAOYSA-N 1 0 459.512 4.936 20 0 JJADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(C)c(OCc3ccccc3C)c(C)c2)c1 ZINC001461148344 1067789400 /nfs/dbraw/zinc/78/94/00/1067789400.db2.gz JIDGBBOSXNKCFI-NRFANRHFSA-N 1 0 452.620 4.950 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc4ccccc4c3)o2)C1 ZINC001461148664 1067789627 /nfs/dbraw/zinc/78/96/27/1067789627.db2.gz WYQQKQAEYRYBIN-ISKFKSNPSA-N 1 0 450.579 4.814 20 0 JJADRO CC(C)(C)OC(=O)NCC1CCC([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC001461152756 1067790168 /nfs/dbraw/zinc/79/01/68/1067790168.db2.gz KZOQLPBVCLUZJH-KVZIAJEVSA-N 1 0 452.437 4.701 20 0 JJADRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001461161061 1067791409 /nfs/dbraw/zinc/79/14/09/1067791409.db2.gz HZTLXIWXHLOEKS-HNNXBMFYSA-N 1 0 455.908 4.714 20 0 JJADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]CC(C)(C)c2ccc(Br)cc2)s1 ZINC001461168032 1067792005 /nfs/dbraw/zinc/79/20/05/1067792005.db2.gz NOESOSVCJCHFFD-UHFFFAOYSA-N 1 0 459.475 4.609 20 0 JJADRO CC1(C)CN(C2(C[NH2+]C3CCN(Cc4c(F)cccc4Cl)CC3)CCCCC2)CCO1 ZINC001461181160 1067793821 /nfs/dbraw/zinc/79/38/21/1067793821.db2.gz OJEIWJOOVJOPDV-UHFFFAOYSA-N 1 0 452.058 4.847 20 0 JJADRO COc1cc(-c2noc(CCCCC[NH2+]Cc3ccc4c(c3)OCCCCO4)n2)ccc1O ZINC001461193603 1067796757 /nfs/dbraw/zinc/79/67/57/1067796757.db2.gz WTVQZBJVIYOAEW-UHFFFAOYSA-N 1 0 453.539 4.505 20 0 JJADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001461205747 1067798920 /nfs/dbraw/zinc/79/89/20/1067798920.db2.gz ZKILAUASZUNQFE-IAGOWNOFSA-N 1 0 454.409 4.512 20 0 JJADRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)c2)cc1 ZINC001461209036 1067799881 /nfs/dbraw/zinc/79/98/81/1067799881.db2.gz PGDFXCATZAGUNW-UNMCSNQZSA-N 1 0 451.592 4.707 20 0 JJADRO COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)cc(OC)c1OCc1ccccc1 ZINC001461213695 1067800371 /nfs/dbraw/zinc/80/03/71/1067800371.db2.gz ATKMLWDRTUVWKI-OAQYLSRUSA-N 1 0 456.583 4.772 20 0 JJADRO CCOc1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC001461220183 1067802262 /nfs/dbraw/zinc/80/22/62/1067802262.db2.gz YIZMBNGSHWXOBN-DEOSSOPVSA-N 1 0 459.590 4.861 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2sc(CNc3ccc(C[NH+]4CCC(O)CC4)cc3)cc2C1 ZINC001461225727 1067803741 /nfs/dbraw/zinc/80/37/41/1067803741.db2.gz PUFAKHYNYYWFSC-UHFFFAOYSA-N 1 0 457.640 4.610 20 0 JJADRO O=C(CC[NH2+]Cc1ccccc1Oc1ccc(Br)cc1F)NCc1cccnc1 ZINC001461225601 1067803820 /nfs/dbraw/zinc/80/38/20/1067803820.db2.gz SDQRSCIOXLGSIA-UHFFFAOYSA-N 1 0 458.331 4.572 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001461225135 1067803851 /nfs/dbraw/zinc/80/38/51/1067803851.db2.gz MLDUXNVDNAAPSH-SIKLNZKXSA-N 1 0 457.571 4.558 20 0 JJADRO O=C1[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCN1c1ccccc1Cl ZINC001461231962 1067805484 /nfs/dbraw/zinc/80/54/84/1067805484.db2.gz JFIOLLXQKAKQJD-OAQYLSRUSA-N 1 0 450.385 4.882 20 0 JJADRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]Cc2cccc(OC3CCCC3)c2)c1 ZINC001461234606 1067805742 /nfs/dbraw/zinc/80/57/42/1067805742.db2.gz SSTKNSQLJPHHOR-UHFFFAOYSA-N 1 0 452.576 4.889 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNCc2c(Br)cncc2Br)[C@@H]1c1cccs1 ZINC001461235173 1067806509 /nfs/dbraw/zinc/80/65/09/1067806509.db2.gz YOTLQMOUGUEUIB-YVEFUNNKSA-N 1 0 459.251 4.841 20 0 JJADRO Cc1cc(Br)cn2c(C[NH2+]C[C@H](C)Oc3ccc(Br)cc3)cnc12 ZINC001461240759 1067807494 /nfs/dbraw/zinc/80/74/94/1067807494.db2.gz WIIUBPNMEKLKQI-ZDUSSCGKSA-N 1 0 453.178 4.725 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001461239578 1067807511 /nfs/dbraw/zinc/80/75/11/1067807511.db2.gz REYVNTCNJGJYDW-RNODOKPDSA-N 1 0 452.755 4.947 20 0 JJADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC001461260397 1067812965 /nfs/dbraw/zinc/81/29/65/1067812965.db2.gz GFYVEUOSSULTKS-BBRMVZONSA-N 1 0 450.473 4.617 20 0 JJADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC001461263893 1067813676 /nfs/dbraw/zinc/81/36/76/1067813676.db2.gz LWALQQFWLDKFRZ-UHFFFAOYSA-N 1 0 450.410 4.893 20 0 JJADRO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCN1C(=O)COc2ccccc21 ZINC001461265616 1067813935 /nfs/dbraw/zinc/81/39/35/1067813935.db2.gz QEJKSFZSKMIRFM-UHFFFAOYSA-N 1 0 452.986 4.729 20 0 JJADRO C[C@@]1(NC(=O)c2ccc(OC(F)(F)F)cc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC001461270963 1067815155 /nfs/dbraw/zinc/81/51/55/1067815155.db2.gz GPHBHEJGUIRFTG-LJQANCHMSA-N 1 0 457.290 4.742 20 0 JJADRO C[C@]1(NC(=O)c2cnc(-c3ccccc3Br)s2)CC[N@H+](Cc2ccccc2)C1 ZINC001461276300 1067816211 /nfs/dbraw/zinc/81/62/11/1067816211.db2.gz ZWYWKAOFLSYRKV-QFIPXVFZSA-N 1 0 456.409 4.967 20 0 JJADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]Cc2c(F)cc(Br)cc2F)cc1 ZINC001461285145 1067818049 /nfs/dbraw/zinc/81/80/49/1067818049.db2.gz XREIGNBOCFXGTK-CQSZACIVSA-N 1 0 455.343 4.873 20 0 JJADRO COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001461307726 1067824479 /nfs/dbraw/zinc/82/44/79/1067824479.db2.gz LTOXALKSPINLEN-CYBMUJFWSA-N 1 0 451.823 4.732 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001461307002 1067824530 /nfs/dbraw/zinc/82/45/30/1067824530.db2.gz HJSNQINRAHZXMH-DKKFBQAASA-N 1 0 450.549 4.676 20 0 JJADRO COC(=O)[C@]1(NC(=O)[C@H](CC(C)C)c2ccc(Cl)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC001461308346 1067825265 /nfs/dbraw/zinc/82/52/65/1067825265.db2.gz XFKJWNIJKSKHET-BVAGGSTKSA-N 1 0 457.014 4.794 20 0 JJADRO COc1cccc(COc2cccc(Cl)c2CNc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC001461331056 1067830943 /nfs/dbraw/zinc/83/09/43/1067830943.db2.gz JPGHNTMSCJYWTD-UHFFFAOYSA-N 1 0 452.986 4.687 20 0 JJADRO Cn1nc(-c2ccccc2)c(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1Cl ZINC001461335904 1067831859 /nfs/dbraw/zinc/83/18/59/1067831859.db2.gz XIAGOQRZPDZVSR-MRXNPFEDSA-N 1 0 453.892 4.580 20 0 JJADRO COc1cc(C[NH2+]C[C@@]2(C)CCCS2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461339469 1067833037 /nfs/dbraw/zinc/83/30/37/1067833037.db2.gz KAPYCMMFIGSUDT-JOCHJYFZSA-N 1 0 452.979 4.881 20 0 JJADRO FC(F)(F)c1cccnc1OCC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC001461351878 1067836376 /nfs/dbraw/zinc/83/63/76/1067836376.db2.gz GYUAGOQSPBFPJL-UHFFFAOYSA-N 1 0 454.084 4.794 20 0 JJADRO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)C1CCCCC1 ZINC001461358882 1067838220 /nfs/dbraw/zinc/83/82/20/1067838220.db2.gz JIGLEHNYVARIPK-QHCPKHFHSA-N 1 0 459.631 4.518 20 0 JJADRO O=S(=O)(NCC[NH2+]Cc1cc(F)ccc1Oc1ccc(F)cc1Cl)c1cccs1 ZINC001461360120 1067838465 /nfs/dbraw/zinc/83/84/65/1067838465.db2.gz MEUYBECBRBDHTH-UHFFFAOYSA-N 1 0 458.939 4.540 20 0 JJADRO CC(=O)N(c1nc(CNC2CC[NH+]([C@H](C)c3ccncc3)CC2)cs1)c1ccc(F)cc1 ZINC001461372724 1067840600 /nfs/dbraw/zinc/84/06/00/1067840600.db2.gz LMBYOYYSQLBUSP-QGZVFWFLSA-N 1 0 453.587 4.677 20 0 JJADRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccccc1Oc1ccc(Cl)cc1Br ZINC001461375660 1067840994 /nfs/dbraw/zinc/84/09/94/1067840994.db2.gz BGOVAKISNIBCBN-MRXNPFEDSA-N 1 0 458.805 4.952 20 0 JJADRO COc1cc(C[NH2+]CC[C@@H]2CCCCO2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461376431 1067841518 /nfs/dbraw/zinc/84/15/18/1067841518.db2.gz HYJLLOVBMPCJEP-SFHVURJKSA-N 1 0 450.938 4.554 20 0 JJADRO Cc1ccsc1CC[NH2+]Cc1cc(I)c(Br)cc1F ZINC001461379457 1067841911 /nfs/dbraw/zinc/84/19/11/1067841911.db2.gz SRWLLIAVGDTAKO-UHFFFAOYSA-N 1 0 454.146 4.895 20 0 JJADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC001461382649 1067843817 /nfs/dbraw/zinc/84/38/17/1067843817.db2.gz MZMDMAPJCNXMMI-XIKOKIGWSA-N 1 0 453.178 4.725 20 0 JJADRO CN1CC[C@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461407972 1067848188 /nfs/dbraw/zinc/84/81/88/1067848188.db2.gz PICATWLDBZRLKX-KUHUBIRLSA-N 1 0 455.755 4.753 20 0 JJADRO Brc1csc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC001461407542 1067848242 /nfs/dbraw/zinc/84/82/42/1067848242.db2.gz VBWGNCZAUMQJTL-UHFFFAOYSA-N 1 0 457.441 4.882 20 0 JJADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1ccc(Cl)cc1 ZINC001461414842 1067850409 /nfs/dbraw/zinc/85/04/09/1067850409.db2.gz WMGKJHKMJKPCPT-QFIPXVFZSA-N 1 0 456.030 4.876 20 0 JJADRO Cc1c(Br)cc(C[NH2+]CCCCNC(=O)OC(C)(C)C)cc1Br ZINC001461425292 1067853141 /nfs/dbraw/zinc/85/31/41/1067853141.db2.gz CFCKDSGXRNHDAF-UHFFFAOYSA-N 1 0 450.215 4.915 20 0 JJADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC001461426258 1067853621 /nfs/dbraw/zinc/85/36/21/1067853621.db2.gz NJUDLHKEMRRPNQ-UHFFFAOYSA-N 1 0 455.400 4.580 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cn1 ZINC001461438305 1067856783 /nfs/dbraw/zinc/85/67/83/1067856783.db2.gz WTHSVGMQKQYQDM-UHFFFAOYSA-N 1 0 454.571 4.969 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCN(c4ccccc4C(F)(F)F)C3)C[C@H]2C1 ZINC001461443822 1067857756 /nfs/dbraw/zinc/85/77/56/1067857756.db2.gz IUWRZRPPEZOYBN-CADBVGFASA-N 1 0 453.549 4.909 20 0 JJADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1 ZINC001461443188 1067857777 /nfs/dbraw/zinc/85/77/77/1067857777.db2.gz TWYNPPRHIBQJTF-SFHVURJKSA-N 1 0 453.366 4.901 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001461457705 1067861371 /nfs/dbraw/zinc/86/13/71/1067861371.db2.gz ZXBBHAZMMNXGCG-XMMPIXPASA-N 1 0 451.014 4.525 20 0 JJADRO COC[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)CCc2ccc(I)cc2)cc1 ZINC001461459766 1067861776 /nfs/dbraw/zinc/86/17/76/1067861776.db2.gz JDAVXHXULMZXLP-DLBZAZTESA-N 1 0 453.364 4.816 20 0 JJADRO CCOc1c(Br)cc(CNc2ccc(Cl)c(C[N@H+](C)CCO)c2)cc1OC ZINC001461460467 1067862156 /nfs/dbraw/zinc/86/21/56/1067862156.db2.gz PQKRQOAYXKNWAP-UHFFFAOYSA-N 1 0 457.796 4.546 20 0 JJADRO COc1cc(C[NH2+]CC2(c3c(Cl)cccc3Cl)CCC2)cc(Cl)c1OCC(N)=O ZINC001461463300 1067862627 /nfs/dbraw/zinc/86/26/27/1067862627.db2.gz QQUXRUNJCQCXEJ-UHFFFAOYSA-N 1 0 457.785 4.731 20 0 JJADRO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C(F)(F)F)CC1 ZINC001461467885 1067864510 /nfs/dbraw/zinc/86/45/10/1067864510.db2.gz XEEZSYGJTPDTJI-NRFANRHFSA-N 1 0 455.565 4.917 20 0 JJADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CCN1C(=O)OC(C)(C)C ZINC001461476277 1067868489 /nfs/dbraw/zinc/86/84/89/1067868489.db2.gz XXNAHVSNQGDIPX-XMSQKQJNSA-N 1 0 459.631 4.857 20 0 JJADRO COc1cc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)cc(I)c1OC ZINC001461477295 1067868886 /nfs/dbraw/zinc/86/88/86/1067868886.db2.gz BOKNVQLXTJQTQU-RDJZCZTQSA-N 1 0 455.311 4.873 20 0 JJADRO CC1(C)CC([NH2+][C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC(C)(C)C1 ZINC001461483471 1067871554 /nfs/dbraw/zinc/87/15/54/1067871554.db2.gz CVYIFEGOGXIVLE-KRWDZBQOSA-N 1 0 457.478 4.797 20 0 JJADRO CCOc1cc(C[NH2+]CC2(C)CCC(C)CC2)cc(Br)c1OCC(=O)N(C)C ZINC001461487556 1067873117 /nfs/dbraw/zinc/87/31/17/1067873117.db2.gz YGFBRAZENKANTP-UHFFFAOYSA-N 1 0 455.437 4.621 20 0 JJADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)C1=O ZINC001461496608 1067876386 /nfs/dbraw/zinc/87/63/86/1067876386.db2.gz XMIWDNDKQMCUTI-GOSISDBHSA-N 1 0 453.327 4.953 20 0 JJADRO Cc1ccc(C(=O)N[C@H](CC(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)c2ccccc2)cc1 ZINC001461500868 1067877344 /nfs/dbraw/zinc/87/73/44/1067877344.db2.gz BSQDJRIPGODTDA-CLJLJLNGSA-N 1 0 455.602 4.766 20 0 JJADRO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC001461506448 1067878726 /nfs/dbraw/zinc/87/87/26/1067878726.db2.gz KGEXDORRDKDUBG-HXUWFJFHSA-N 1 0 451.567 4.971 20 0 JJADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC001461512183 1067879438 /nfs/dbraw/zinc/87/94/38/1067879438.db2.gz FGSPSTGVFYXHPQ-SFHVURJKSA-N 1 0 455.649 4.529 20 0 JJADRO CN(C)C(=O)COc1ccccc1C[NH2+]CC1(c2ccccc2Br)CCCCC1 ZINC001461515412 1067879901 /nfs/dbraw/zinc/87/99/01/1067879901.db2.gz WNDIJVGLVFKKHL-UHFFFAOYSA-N 1 0 459.428 4.908 20 0 JJADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)[C@@H]1n1cccn1 ZINC001461513710 1067879977 /nfs/dbraw/zinc/87/99/77/1067879977.db2.gz JVLJVBHPSIWQIK-ZACQAIPSSA-N 1 0 457.210 4.695 20 0 JJADRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1=O ZINC001461529028 1067881841 /nfs/dbraw/zinc/88/18/41/1067881841.db2.gz DLFCVSWRZBZRMM-JPYJTQIMSA-N 1 0 455.574 4.692 20 0 JJADRO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1=O ZINC001461533142 1067883323 /nfs/dbraw/zinc/88/33/23/1067883323.db2.gz ODDIRJVHLPCFFV-BTYIYWSLSA-N 1 0 456.359 4.978 20 0 JJADRO Cc1c(Br)cc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1Br ZINC001461534649 1067883815 /nfs/dbraw/zinc/88/38/15/1067883815.db2.gz XDQRPLUAVSWVHU-QGZVFWFLSA-N 1 0 454.206 4.699 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001461550863 1067886664 /nfs/dbraw/zinc/88/66/64/1067886664.db2.gz MVLGHISIFVLADQ-YRMMNHGISA-N 1 0 451.652 4.838 20 0 JJADRO COc1cc(C[NH2+]Cc2ccc(C)c(C)n2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461568072 1067890667 /nfs/dbraw/zinc/89/06/67/1067890667.db2.gz XSJGLXBLMBKZLN-UHFFFAOYSA-N 1 0 457.933 4.807 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CC1(c3c(F)cccc3F)CCC1)CCO2 ZINC001461577165 1067892624 /nfs/dbraw/zinc/89/26/24/1067892624.db2.gz NWEGCIMXOUXXEQ-SFHVURJKSA-N 1 0 450.570 4.925 20 0 JJADRO CC(C)(C)OC(=O)N(CCCC[NH2+]C1CCN(CC(F)(F)F)CC1)OCc1ccccc1 ZINC001461582298 1067893656 /nfs/dbraw/zinc/89/36/56/1067893656.db2.gz NYYAEQOSLDQEEU-UHFFFAOYSA-N 1 0 459.553 4.752 20 0 JJADRO COc1cccc(-c2nn(C(C)(C)C)cc2CNc2ccc(OCC[NH+](C)C)c(OC)c2)c1 ZINC001461587896 1067894784 /nfs/dbraw/zinc/89/47/84/1067894784.db2.gz WXRILPNLWYDGKJ-UHFFFAOYSA-N 1 0 452.599 4.875 20 0 JJADRO CCOc1cc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)ccc1OCc1ccccc1 ZINC001461589555 1067895249 /nfs/dbraw/zinc/89/52/49/1067895249.db2.gz FAQSPKQTXLPDHP-UHFFFAOYSA-N 1 0 455.595 4.892 20 0 JJADRO COc1cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)ccc1OCc1ccc(Cl)cc1Cl ZINC001461591193 1067895778 /nfs/dbraw/zinc/89/57/78/1067895778.db2.gz XWSALGFTLVIAPS-HSZRJFAPSA-N 1 0 454.394 4.848 20 0 JJADRO Cc1cc(C2OCCO2)c(C)cc1C[NH2+]Cc1cc(Cl)cc(I)c1 ZINC001461591498 1067896008 /nfs/dbraw/zinc/89/60/08/1067896008.db2.gz PQLDCOYTKHFDCU-UHFFFAOYSA-N 1 0 457.739 4.897 20 0 JJADRO Cc1ccc(O[C@H](C)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)c(Br)c1 ZINC001461593366 1067896267 /nfs/dbraw/zinc/89/62/67/1067896267.db2.gz AHGXZHKOMQEPHU-KNQAVFIVSA-N 1 0 459.428 4.894 20 0 JJADRO CC(C)C[C@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)s1)C(=O)N1CCOCC1 ZINC001461595830 1067897066 /nfs/dbraw/zinc/89/70/66/1067897066.db2.gz SAOBANRTLPSYCM-IBGZPJMESA-N 1 0 451.430 4.541 20 0 JJADRO CC(C)[C@H]1CN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001461597252 1067897578 /nfs/dbraw/zinc/89/75/78/1067897578.db2.gz IXLXOAHFVIDEBN-RBZQAINGSA-N 1 0 457.659 4.829 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001461598885 1067898412 /nfs/dbraw/zinc/89/84/12/1067898412.db2.gz NGQUHMAQUUGESN-DEOSSOPVSA-N 1 0 451.611 4.945 20 0 JJADRO CNC(=O)[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1ccc(F)cc1C ZINC001461599657 1067898472 /nfs/dbraw/zinc/89/84/72/1067898472.db2.gz KYXCSJYCVSXPLW-QHCPKHFHSA-N 1 0 456.565 4.681 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 ZINC001461624006 1067903777 /nfs/dbraw/zinc/90/37/77/1067903777.db2.gz DXGOBGWJHCRZSJ-RXVVDRJESA-N 1 0 450.501 4.995 20 0 JJADRO COCCOCc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cc1 ZINC001461625214 1067904145 /nfs/dbraw/zinc/90/41/45/1067904145.db2.gz IWNMPLVVRSVJBY-JWQCQUIFSA-N 1 0 472.601 4.872 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cnc3ccc(C)cn23)cc1F ZINC001461628280 1067905299 /nfs/dbraw/zinc/90/52/99/1067905299.db2.gz RLFIOYVMEJYIIH-UNMCSNQZSA-N 1 0 468.573 4.673 20 0 JJADRO Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3ccc(OCc4cccc(F)c4)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001461628372 1067905326 /nfs/dbraw/zinc/90/53/26/1067905326.db2.gz GRAUIMDQYLGCKC-RLWLMLJZSA-N 1 0 464.585 4.616 20 0 JJADRO CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001461648727 1067909343 /nfs/dbraw/zinc/90/93/43/1067909343.db2.gz VTECNKCIBLLZLD-HXUWFJFHSA-N 1 0 453.808 4.886 20 0 JJADRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CCN1C(=O)OC(C)(C)C ZINC001461660048 1067912488 /nfs/dbraw/zinc/91/24/88/1067912488.db2.gz TZSUFKNQCBETJE-BXXSPATCSA-N 1 0 483.678 4.868 20 0 JJADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@@]2(C)COc3ccccc3O2)cc1Br ZINC001461663189 1067912805 /nfs/dbraw/zinc/91/28/05/1067912805.db2.gz WJUIUBLVPBYHBB-SZNDQCEHSA-N 1 0 454.336 4.589 20 0 JJADRO CCc1cccc2cc(C[NH2+]C3CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC3)oc21 ZINC001461662620 1067912993 /nfs/dbraw/zinc/91/29/93/1067912993.db2.gz MCKQJNQULQOHHC-UHFFFAOYSA-N 1 0 457.615 4.723 20 0 JJADRO O=C1[C@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC001461687712 1067918253 /nfs/dbraw/zinc/91/82/53/1067918253.db2.gz ULKKSRZTPKAQLJ-OAQYLSRUSA-N 1 0 451.920 4.718 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC001461697423 1067920487 /nfs/dbraw/zinc/92/04/87/1067920487.db2.gz KGHLEDCVQFNWMS-RUZDIDTESA-N 1 0 453.030 4.501 20 0 JJADRO COC[C@H]([NH2+]Cc1cnc2c(C)cc(Br)cn12)c1cccc(Br)c1 ZINC001461702673 1067921876 /nfs/dbraw/zinc/92/18/76/1067921876.db2.gz LLFHFEUTFFRJHD-KRWDZBQOSA-N 1 0 453.178 4.645 20 0 JJADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC001461707663 1067922744 /nfs/dbraw/zinc/92/27/44/1067922744.db2.gz BYFDFGPHUWPIOV-MRXNPFEDSA-N 1 0 458.581 4.908 20 0 JJADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC001461729817 1067926942 /nfs/dbraw/zinc/92/69/42/1067926942.db2.gz RTTBWJMJJAMJFU-SFHVURJKSA-N 1 0 457.924 4.918 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001461755375 1067931053 /nfs/dbraw/zinc/93/10/53/1067931053.db2.gz RCJFBWVCTMMDJX-NVXWUHKLSA-N 1 0 463.420 4.822 20 0 JJADRO FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(I)s1 ZINC001461758703 1067931846 /nfs/dbraw/zinc/93/18/46/1067931846.db2.gz ZNKIVQGMJWAUHS-HUUCEWRRSA-N 1 0 466.310 4.505 20 0 JJADRO COC1(OC)CCOC[C@@H]1CC[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC001461760553 1067932263 /nfs/dbraw/zinc/93/22/63/1067932263.db2.gz JWRDLZIMUOUNPR-SFHVURJKSA-N 1 0 450.373 4.747 20 0 JJADRO COc1cc(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)c(Cl)cc1Br ZINC001461772378 1067934171 /nfs/dbraw/zinc/93/41/71/1067934171.db2.gz IKAFEWYHZHUYRV-TWGQIWQCSA-N 1 0 453.764 4.703 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC001461776778 1067935245 /nfs/dbraw/zinc/93/52/45/1067935245.db2.gz VAELYRBRLZPAJF-HNACLESGSA-N 1 0 450.558 4.931 20 0 JJADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(Br)cc1SC(C)C ZINC001461782814 1067936498 /nfs/dbraw/zinc/93/64/98/1067936498.db2.gz PSDJTASMIWPRNI-IAGOWNOFSA-N 1 0 459.450 4.674 20 0 JJADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC001461784111 1067936884 /nfs/dbraw/zinc/93/68/84/1067936884.db2.gz MPCFDSFWNBDPOK-QZTJIDSGSA-N 1 0 467.429 4.902 20 0 JJADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1OC ZINC001461798192 1067938686 /nfs/dbraw/zinc/93/86/86/1067938686.db2.gz YRSQSCGUOWJGEE-NXHRZFHOSA-N 1 0 469.420 4.877 20 0 JJADRO CCO[C@H](C)c1ncc(C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)s1 ZINC001461827792 1067942764 /nfs/dbraw/zinc/94/27/64/1067942764.db2.gz GSLXTEHLNLPLEY-CZUORRHYSA-N 1 0 452.418 4.526 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC001461836391 1067943999 /nfs/dbraw/zinc/94/39/99/1067943999.db2.gz NLIIXCJGTZBBIA-PGRDOPGGSA-N 1 0 481.420 4.890 20 0 JJADRO C/C=C/COc1cccc(CC(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)c1 ZINC001461836194 1067944143 /nfs/dbraw/zinc/94/41/43/1067944143.db2.gz LJMVNGBITBLYDS-FNEOHHHZSA-N 1 0 457.412 4.856 20 0 JJADRO Cc1cc(=O)[nH]c2cc(C(=O)N3C[C@H]([NH+](C)C)CCc4cc(Br)ccc43)ccc12 ZINC001461839019 1067944581 /nfs/dbraw/zinc/94/45/81/1067944581.db2.gz QNLTZYMETBLZMC-GOSISDBHSA-N 1 0 454.368 4.535 20 0 JJADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC001461841866 1067945321 /nfs/dbraw/zinc/94/53/21/1067945321.db2.gz FTCCLDZRLZCUQT-UHFFFAOYSA-N 1 0 457.397 4.818 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3CC[C@@H](CSc4ccccc4)C3)o2)CC1 ZINC001461845374 1067945812 /nfs/dbraw/zinc/94/58/12/1067945812.db2.gz PWWBVKIYWWVTKR-HXUWFJFHSA-N 1 0 457.640 4.951 20 0 JJADRO COCC[N@H+](Cc1cc(I)c(Br)cc1F)C1CCCC1 ZINC001461846943 1067945833 /nfs/dbraw/zinc/94/58/33/1067945833.db2.gz QDHHQMPKDJJBDC-UHFFFAOYSA-N 1 0 456.137 4.584 20 0 JJADRO COc1cccc(C[N@H+](Cc2cc(OC)c(Br)cc2F)C2CCC(O)CC2)c1 ZINC001461856026 1067948585 /nfs/dbraw/zinc/94/85/85/1067948585.db2.gz WYUFNDJCQQGMDW-UHFFFAOYSA-N 1 0 452.364 4.911 20 0 JJADRO Cc1cnccc1C(=O)Nc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc(Cl)c1Cl ZINC001461887614 1067954910 /nfs/dbraw/zinc/95/49/10/1067954910.db2.gz WYWCJHQZTOJGEX-MRXNPFEDSA-N 1 0 451.398 4.655 20 0 JJADRO Cc1cc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)c2cc(Br)ccc2n1 ZINC001461896755 1067956612 /nfs/dbraw/zinc/95/66/12/1067956612.db2.gz BGGXJGQQBATMGF-UHFFFAOYSA-N 1 0 452.396 4.699 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC001461898391 1067957045 /nfs/dbraw/zinc/95/70/45/1067957045.db2.gz MFSWBCLMYZTPFJ-DEOSSOPVSA-N 1 0 450.023 4.525 20 0 JJADRO Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC001461897982 1067957076 /nfs/dbraw/zinc/95/70/76/1067957076.db2.gz FCFXUIQFYXCEMK-JOCHJYFZSA-N 1 0 451.611 4.515 20 0 JJADRO C[N@H+](Cc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001461906699 1067958764 /nfs/dbraw/zinc/95/87/64/1067958764.db2.gz LGKPHUUBMGPBGO-JWTNVVGKSA-N 1 0 456.368 4.654 20 0 JJADRO COc1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1C(C)(C)C ZINC001461905228 1067958804 /nfs/dbraw/zinc/95/88/04/1067958804.db2.gz WIFIMTILYQEEMX-QGZVFWFLSA-N 1 0 450.579 4.807 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001461906046 1067958856 /nfs/dbraw/zinc/95/88/56/1067958856.db2.gz VTSAVSHAOILPIZ-UHFFFAOYSA-N 1 0 458.650 4.569 20 0 JJADRO CCC[N@H+](Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCc2ccccc2C1 ZINC001461910136 1067959673 /nfs/dbraw/zinc/95/96/73/1067959673.db2.gz FNALFKTUYYIKBG-PKTZIBPZSA-N 1 0 453.631 4.620 20 0 JJADRO Cc1cc(Br)c(CN2CC[NH+](CCc3cccs3)CC2)cc1Br ZINC001461921059 1067961488 /nfs/dbraw/zinc/96/14/88/1067961488.db2.gz SOFFGEYOXZRYLC-UHFFFAOYSA-N 1 0 458.263 4.942 20 0 JJADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)Cc2cccc(Cl)c2Cl)cnn1C ZINC001461930764 1067963189 /nfs/dbraw/zinc/96/31/89/1067963189.db2.gz YCGZUHVGNXHADQ-INIZCTEOSA-N 1 0 455.430 4.851 20 0 JJADRO Cc1cc(C2OCCO2)c(C)cc1C[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001461940978 1067965298 /nfs/dbraw/zinc/96/52/98/1067965298.db2.gz IOXUPWURFRAYIS-UHFFFAOYSA-N 1 0 450.501 4.565 20 0 JJADRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)CC1 ZINC001461946373 1067966445 /nfs/dbraw/zinc/96/64/45/1067966445.db2.gz SZKVZSUAJAPVJT-UHFFFAOYSA-N 1 0 452.595 4.523 20 0 JJADRO FC(F)Sc1ccc(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC001461971020 1067971784 /nfs/dbraw/zinc/97/17/84/1067971784.db2.gz MQRJYKPRIJRATG-UHFFFAOYSA-N 1 0 450.580 4.863 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CCC(Cc4ccc(F)cc4)CC3)o2)CC1 ZINC001461979215 1067974054 /nfs/dbraw/zinc/97/40/54/1067974054.db2.gz QBIZLHHHIOULSB-UHFFFAOYSA-N 1 0 457.590 4.931 20 0 JJADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC001461989192 1067976045 /nfs/dbraw/zinc/97/60/45/1067976045.db2.gz FIDHHGIYONURJY-FGSXEWAUSA-N 1 0 450.501 4.652 20 0 JJADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC001461989195 1067976205 /nfs/dbraw/zinc/97/62/05/1067976205.db2.gz FIDHHGIYONURJY-HMFYCAOWSA-N 1 0 450.501 4.652 20 0 JJADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC001461989198 1067976693 /nfs/dbraw/zinc/97/66/93/1067976693.db2.gz FIDHHGIYONURJY-JBYIUTFZSA-N 1 0 450.501 4.652 20 0 JJADRO CCOc1ccc(C[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C(=O)OC)cc1 ZINC001462002460 1067978108 /nfs/dbraw/zinc/97/81/08/1067978108.db2.gz RVGLGTNKGIUHOT-MAUKXSAKSA-N 1 0 452.364 4.539 20 0 JJADRO CCOc1ccc(C[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C(=O)OC)cc1 ZINC001462002466 1067978187 /nfs/dbraw/zinc/97/81/87/1067978187.db2.gz RVGLGTNKGIUHOT-YJBOKZPZSA-N 1 0 452.364 4.539 20 0 JJADRO CCC(CC)(C[NH2+]Cc1oc(Br)cc1C(=O)OC)c1ccc(OC)c(OC)c1 ZINC001462047625 1067989398 /nfs/dbraw/zinc/98/93/98/1067989398.db2.gz BBUHYFSESGZCKU-UHFFFAOYSA-N 1 0 454.361 4.694 20 0 JJADRO Cc1ccc(N[C@@H]2CC[C@@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)cc1NC(=O)CC[NH+](C)C ZINC001462047642 1067989446 /nfs/dbraw/zinc/98/94/46/1067989446.db2.gz BDVDPQHBWFXODP-TXTKFYIRSA-N 1 0 458.647 4.865 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC001462048832 1067989936 /nfs/dbraw/zinc/98/99/36/1067989936.db2.gz FBIVAITYWHTWSU-LDQXTDLNSA-N 1 0 456.608 4.856 20 0 JJADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc12 ZINC001462066194 1067995096 /nfs/dbraw/zinc/99/50/96/1067995096.db2.gz SHBCJOJXMFWCJG-HOTGVXAUSA-N 1 0 451.409 4.530 20 0 JJADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC001462081641 1067997378 /nfs/dbraw/zinc/99/73/78/1067997378.db2.gz GZQJCYZBHNSQTH-FXAWDEMLSA-N 1 0 455.234 4.974 20 0 JJADRO COc1c(Br)cccc1C[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC001462077197 1067997424 /nfs/dbraw/zinc/99/74/24/1067997424.db2.gz YNMUETFWLMQJQE-UHFFFAOYSA-N 1 0 456.178 4.647 20 0 JJADRO O=C(OCc1ccccc1)N1CCC(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC001462085931 1067998898 /nfs/dbraw/zinc/99/88/98/1067998898.db2.gz IVQJJVCOLHCPPU-AHKZPQOWSA-N 1 0 454.586 4.538 20 0 JJADRO CCOC(=O)[C@@](C)(C[NH2+]Cc1cc(Cl)ccc1I)c1ccccc1 ZINC001462097052 1068001572 /nfs/dbraw/zinc/00/15/72/1068001572.db2.gz SCNYIBJPOLMDJZ-IBGZPJMESA-N 1 0 457.739 4.555 20 0 JJADRO COC(=O)[C@@](C)(C[NH2+]Cc1cc(Br)c(C)cc1Br)c1ccccc1 ZINC001462097958 1068001594 /nfs/dbraw/zinc/00/15/94/1068001594.db2.gz YVNOIELLLKNKPB-IBGZPJMESA-N 1 0 455.190 4.741 20 0 JJADRO COC(=O)c1ccc(COc2ccc(C[NH+]3CCC(c4ncc(C)s4)CC3)cc2OC)o1 ZINC001462099901 1068002168 /nfs/dbraw/zinc/00/21/68/1068002168.db2.gz YNOFLBSPUUEGKF-UHFFFAOYSA-N 1 0 456.564 4.798 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2c(Cl)n(C)nc2C(C)C)cc1 ZINC001462103994 1068003145 /nfs/dbraw/zinc/00/31/45/1068003145.db2.gz CTBIWBWRRZHGRX-FCHUYYIVSA-N 1 0 467.013 4.604 20 0 JJADRO CCCOc1nc(C)ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001462106006 1068004301 /nfs/dbraw/zinc/00/43/01/1068004301.db2.gz HYGXEHHWSITYDY-IZZNHLLZSA-N 1 0 459.590 4.585 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC001462108310 1068005312 /nfs/dbraw/zinc/00/53/12/1068005312.db2.gz MZMYMQOLGOHTHS-PZJWPPBQSA-N 1 0 456.373 4.795 20 0 JJADRO Cc1ccc(-c2noc(CCC(=O)N[C@H]3CCCCC[N@H+](Cc4ccccc4)C3)n2)cc1F ZINC001462109255 1068005686 /nfs/dbraw/zinc/00/56/86/1068005686.db2.gz BNQNSEWDTWQPDS-QFIPXVFZSA-N 1 0 450.558 4.678 20 0 JJADRO Cn1cc([C@@H]([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)c2ccc(F)cc2)cn1 ZINC001462119330 1068008380 /nfs/dbraw/zinc/00/83/80/1068008380.db2.gz SBWDYPRTSPTSNP-ZRBLBEILSA-N 1 0 457.391 4.836 20 0 JJADRO CC[NH+]1CCN(c2cccc(N[C@H]3CCN(C)[C@@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122792 1068010275 /nfs/dbraw/zinc/01/02/75/1068010275.db2.gz AQVDTXFWFHHJON-LADGPHEKSA-N 1 0 457.460 4.838 20 0 JJADRO CC(C)(C)OC(=O)NCC(C)(C)C[NH2+]Cc1ccc(I)cc1Cl ZINC001462138674 1068013595 /nfs/dbraw/zinc/01/35/95/1068013595.db2.gz TZXFCXJBNSKYBC-UHFFFAOYSA-N 1 0 452.764 4.585 20 0 JJADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cnn1C ZINC001462150971 1068016773 /nfs/dbraw/zinc/01/67/73/1068016773.db2.gz QRVYBMVVAQVHLB-CEYBMKEASA-N 1 0 452.643 4.823 20 0 JJADRO COC[C@H]([NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC001462161845 1068019421 /nfs/dbraw/zinc/01/94/21/1068019421.db2.gz CAHZBRDFGOLHPC-AOMIVXANSA-N 1 0 451.394 4.777 20 0 JJADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC001462166018 1068020178 /nfs/dbraw/zinc/02/01/78/1068020178.db2.gz YWOBWDLNILHOOK-KRWDZBQOSA-N 1 0 456.384 4.784 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCO[C@@H](c2ccccc2OC)C1)c1cccc(C(F)(F)F)c1 ZINC001462167003 1068020812 /nfs/dbraw/zinc/02/08/12/1068020812.db2.gz KWKALJRRYWGFLM-FGZHOGPDSA-N 1 0 450.501 4.697 20 0 JJADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC001462171798 1068021474 /nfs/dbraw/zinc/02/14/74/1068021474.db2.gz VNFGUZKVWKUCSA-GOEBONIOSA-N 1 0 452.382 4.596 20 0 JJADRO COc1ccc(CC[C@H](C)[NH2+][C@H](C)CCc2ccc(I)cc2)cc1O ZINC001462189066 1068025368 /nfs/dbraw/zinc/02/53/68/1068025368.db2.gz HWRFOYQQFZLYHD-CVEARBPZSA-N 1 0 453.364 4.937 20 0 JJADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC001462220667 1068031384 /nfs/dbraw/zinc/03/13/84/1068031384.db2.gz QIQOZGDPZSXMEN-NLFFAJNJSA-N 1 0 451.611 4.536 20 0 JJADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC001462237473 1068035378 /nfs/dbraw/zinc/03/53/78/1068035378.db2.gz ZORZHJAEISDKAC-VFNWGFHPSA-N 1 0 456.384 4.740 20 0 JJADRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)CC(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC001462245801 1068036962 /nfs/dbraw/zinc/03/69/62/1068036962.db2.gz FQFLFKOBZATVKK-SFHVURJKSA-N 1 0 457.018 4.578 20 0 JJADRO COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)n1 ZINC001462254941 1068038863 /nfs/dbraw/zinc/03/88/63/1068038863.db2.gz KGBZMGPXJHLLCI-KKLQWCBXSA-N 1 0 457.590 4.791 20 0 JJADRO CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C ZINC001462258506 1068039997 /nfs/dbraw/zinc/03/99/97/1068039997.db2.gz JKLMLTQGUOHPKK-OLZOCXBDSA-N 1 0 451.917 4.969 20 0 JJADRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)o1 ZINC001462267960 1068040944 /nfs/dbraw/zinc/04/09/44/1068040944.db2.gz NCQBTNXMFOLEMO-GAJHUEQPSA-N 1 0 450.510 4.714 20 0 JJADRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)o1 ZINC001462267965 1068041002 /nfs/dbraw/zinc/04/10/02/1068041002.db2.gz NCQBTNXMFOLEMO-SBUREZEXSA-N 1 0 450.510 4.714 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462268898 1068041469 /nfs/dbraw/zinc/04/14/69/1068041469.db2.gz GABMIKRDYVQWFC-ZEQKJWHPSA-N 1 0 456.696 4.859 20 0 JJADRO COC(=O)c1ccc(-c2ccc(C[NH+]3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)o2)cc1 ZINC001462282202 1068043483 /nfs/dbraw/zinc/04/34/83/1068043483.db2.gz JIQMZNYRKXHZLD-UHFFFAOYSA-N 1 0 454.567 4.956 20 0 JJADRO O[C@@H](c1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293090 1068045309 /nfs/dbraw/zinc/04/53/09/1068045309.db2.gz HODBWIKSXYUPTB-REWPJTCUSA-N 1 0 458.375 4.779 20 0 JJADRO Cc1cc(Cl)ccc1N(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCO[C@H]1C ZINC001462297496 1068046529 /nfs/dbraw/zinc/04/65/29/1068046529.db2.gz OROQWAJVMUIWAH-OFVILXPXSA-N 1 0 456.030 4.761 20 0 JJADRO Cc1cc(Cl)ccc1N(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCO[C@@H]1C ZINC001462297505 1068046646 /nfs/dbraw/zinc/04/66/46/1068046646.db2.gz OROQWAJVMUIWAH-PXDATVDWSA-N 1 0 456.030 4.761 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC001462315910 1068049787 /nfs/dbraw/zinc/04/97/87/1068049787.db2.gz RUTYYTDJPIZLHA-NOZRDPDXSA-N 1 0 457.659 4.961 20 0 JJADRO CC[C@@](C[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)(C(=O)OC)c1ccccc1 ZINC001462337412 1068053881 /nfs/dbraw/zinc/05/38/81/1068053881.db2.gz YTLVMKHYRPOQEB-QHCPKHFHSA-N 1 0 456.384 4.554 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001462337588 1068053928 /nfs/dbraw/zinc/05/39/28/1068053928.db2.gz BZJHWXOLBNAXIC-VQTJNVASSA-N 1 0 453.421 4.733 20 0 JJADRO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)cc1OC1CC1 ZINC001462341526 1068055052 /nfs/dbraw/zinc/05/50/52/1068055052.db2.gz XFTYAQUKDVMHBP-RBBKRZOGSA-N 1 0 456.558 4.868 20 0 JJADRO CCOc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462349137 1068056703 /nfs/dbraw/zinc/05/67/03/1068056703.db2.gz SRLHQXUMJATMCI-DEOSSOPVSA-N 1 0 457.567 4.681 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2F)CC1 ZINC001462357369 1068058876 /nfs/dbraw/zinc/05/88/76/1068058876.db2.gz JHGVHBLFGPBKMT-UHFFFAOYSA-N 1 0 452.555 4.534 20 0 JJADRO COc1ccc(OC)c2sc(NC(=O)c3ccccc3OCC[N@@H+]3CCCC[C@@H]3C)nc21 ZINC001462359986 1068059376 /nfs/dbraw/zinc/05/93/76/1068059376.db2.gz GQLUGACHSUQXID-INIZCTEOSA-N 1 0 455.580 4.819 20 0 JJADRO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001462361142 1068059858 /nfs/dbraw/zinc/05/98/58/1068059858.db2.gz VZGYUZKZXAXWHZ-WOIUINJBSA-N 1 0 457.615 4.609 20 0 JJADRO CC(C)[C@@H](C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)ONC(=O)OC(C)(C)C ZINC001462362304 1068059955 /nfs/dbraw/zinc/05/99/55/1068059955.db2.gz YDLQRAVQECQORI-LJQANCHMSA-N 1 0 456.509 4.521 20 0 JJADRO CCCC1(C[NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462368556 1068061043 /nfs/dbraw/zinc/06/10/43/1068061043.db2.gz SONKCOVQQSMJGV-UHFFFAOYSA-N 1 0 454.652 4.532 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001462365619 1068061093 /nfs/dbraw/zinc/06/10/93/1068061093.db2.gz FDLBVWOELDRYGY-UHFFFAOYSA-N 1 0 459.631 4.981 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH+]3CCC(C)(C(=O)OC(C)(C)C)CC3)cc2C1 ZINC001462366302 1068061108 /nfs/dbraw/zinc/06/11/08/1068061108.db2.gz HLOGGXNDPDMSLQ-UHFFFAOYSA-N 1 0 450.645 4.985 20 0 JJADRO Cc1ccc(-c2ncc(C[N@H+]3C[C@@H](c4cnn(C)c4)[C@H](NC(=O)OC(C)(C)C)C3)s2)cc1C ZINC001462368770 1068061655 /nfs/dbraw/zinc/06/16/55/1068061655.db2.gz BQFVJRCCNMMNSI-FCHUYYIVSA-N 1 0 467.639 4.653 20 0 JJADRO COCC[N@H+](Cc1cnc(-c2ccco2)s1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462398683 1068065517 /nfs/dbraw/zinc/06/55/17/1068065517.db2.gz YWBLZDSUDUFZIS-UHFFFAOYSA-N 1 0 455.580 4.653 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400342 1068066218 /nfs/dbraw/zinc/06/62/18/1068066218.db2.gz XTLPIYRMDYNXDU-XMSQKQJNSA-N 1 0 459.631 4.857 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410556 1068068204 /nfs/dbraw/zinc/06/82/04/1068068204.db2.gz ZVTFQUVYSPDMRK-SQGPQFPESA-N 1 0 458.521 4.711 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cccn(C(F)F)c2=O)cc1 ZINC001462420352 1068070937 /nfs/dbraw/zinc/07/09/37/1068070937.db2.gz ZJVNPSOCBZGEBA-SFTDATJTSA-N 1 0 477.552 4.525 20 0 JJADRO COc1cc(OC)c(C2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC2)c(OC)c1 ZINC001462455235 1068078299 /nfs/dbraw/zinc/07/82/99/1068078299.db2.gz XYEDYCBCJZCADB-UHFFFAOYSA-N 1 0 450.620 4.927 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@]3(C)Cc3cc(F)c(F)c(F)c3)cc2)CC1 ZINC001462494548 1068084981 /nfs/dbraw/zinc/08/49/81/1068084981.db2.gz JFSHJVMACYCWTR-SANMLTNESA-N 1 0 459.556 4.872 20 0 JJADRO CC(C)(C)OC(=O)N1CC(c2cc(CN[C@@H]3CCCCC[N@H+](Cc4ccccc4)C3)on2)C1 ZINC001462500603 1068086708 /nfs/dbraw/zinc/08/67/08/1068086708.db2.gz CYNPRLYQNREOAO-JOCHJYFZSA-N 1 0 454.615 4.543 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccccc2Oc2cccc(Br)c2)CCN1c1cc[nH+]cc1 ZINC001462509132 1068087806 /nfs/dbraw/zinc/08/78/06/1068087806.db2.gz WEKNYRJXEOESHB-QGZVFWFLSA-N 1 0 452.352 4.987 20 0 JJADRO CN(C)c1nc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462512029 1068088506 /nfs/dbraw/zinc/08/85/06/1068088506.db2.gz CKSFQWLALFTUAT-YJBOKZPZSA-N 1 0 467.839 4.507 20 0 JJADRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001462511201 1068088639 /nfs/dbraw/zinc/08/86/39/1068088639.db2.gz VXQLQGPXXNSUSN-LZQZEXGQSA-N 1 0 455.521 4.578 20 0 JJADRO CN(C)c1nc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521926 1068091077 /nfs/dbraw/zinc/09/10/77/1068091077.db2.gz KEZGXWVEIPKEEB-UONOGXRCSA-N 1 0 455.853 4.539 20 0 JJADRO CC[NH+]1CCN(c2ccc(NCc3csc(N(C(C)=O)c4ccccc4)n3)cc2F)CC1 ZINC001462523847 1068091139 /nfs/dbraw/zinc/09/11/39/1068091139.db2.gz TUBGUVYYMUQARG-UHFFFAOYSA-N 1 0 453.587 4.721 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+][C@H](CO)c3ccc(Br)cc3)CC[C@H]21 ZINC001462543708 1068094920 /nfs/dbraw/zinc/09/49/20/1068094920.db2.gz RQQLVAXVPXCXRT-GSEOLPGOSA-N 1 0 453.421 4.640 20 0 JJADRO COc1ccc(C2=NO[C@H](C[NH2+][C@@H]3CC[C@@H]4[C@@H](CCCN4C(=O)OC(C)(C)C)C3)C2)cc1C ZINC001462548879 1068095862 /nfs/dbraw/zinc/09/58/62/1068095862.db2.gz GICXUNQGHPDBMV-OQLXKQOESA-N 1 0 457.615 4.654 20 0 JJADRO COc1cc(Cl)c(C[NH2+]C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1Cl ZINC001462556218 1068097442 /nfs/dbraw/zinc/09/74/42/1068097442.db2.gz DZOKNYJOQNIUNA-INIZCTEOSA-N 1 0 459.414 4.898 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@@H+]([C@H]2CCC3(C[C@@H]2F)OCCO3)C1)C1CCCC1 ZINC001462561489 1068098660 /nfs/dbraw/zinc/09/86/60/1068098660.db2.gz CMFPNQRZKUJHIR-UVUJQTEASA-N 1 0 454.627 4.806 20 0 JJADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001462563613 1068099248 /nfs/dbraw/zinc/09/92/48/1068099248.db2.gz IELBHNRZDHOCOQ-RAKYAITLSA-N 1 0 469.626 4.611 20 0 JJADRO COC(=O)c1ccc(COc2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)cc2OC)o1 ZINC001462587827 1068105252 /nfs/dbraw/zinc/10/52/52/1068105252.db2.gz OFFFXHDWRPWMIF-AOMKIAJQSA-N 1 0 453.457 4.818 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001462591099 1068107080 /nfs/dbraw/zinc/10/70/80/1068107080.db2.gz BAPXZOWQNATIDO-FDKIHUSFSA-N 1 0 451.652 4.647 20 0 JJADRO CCC1(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)CCOCC1 ZINC001546132663 1068107501 /nfs/dbraw/zinc/10/75/01/1068107501.db2.gz PSTNRQHYJRKIRD-UHFFFAOYSA-N 1 0 499.700 4.868 20 0 JJADRO C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001462601883 1068109502 /nfs/dbraw/zinc/10/95/02/1068109502.db2.gz FYVBCRWFKVDGQM-UMEGOILYSA-N 1 0 451.652 4.888 20 0 JJADRO CN1C(=O)CCc2cc(C[NH+]3CCC([C@@H]4CCCN(C(=O)OC(C)(C)C)CC4)CC3)ccc21 ZINC001462624064 1068115678 /nfs/dbraw/zinc/11/56/78/1068115678.db2.gz ULXREXMITIIVHW-OAQYLSRUSA-N 1 0 455.643 4.845 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH+]3CCC4(CCNC(=O)O4)CC3)n2)cc1 ZINC001462629156 1068116933 /nfs/dbraw/zinc/11/69/33/1068116933.db2.gz BFJANSYGZXMKIY-UHFFFAOYSA-N 1 0 452.555 4.560 20 0 JJADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H](C)c1ccc(Br)cc1 ZINC001462629993 1068116982 /nfs/dbraw/zinc/11/69/82/1068116982.db2.gz ORPBJWFLTHRPRA-HZPDHXFCSA-N 1 0 458.400 4.908 20 0 JJADRO COC(=O)C1(CCCC[NH2+]Cc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)CCC1 ZINC001462631642 1068118343 /nfs/dbraw/zinc/11/83/43/1068118343.db2.gz AQAUZMDVJKMJDR-UHFFFAOYSA-N 1 0 451.539 4.709 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1ccc(Sc3ccccn3)o1)CC2 ZINC001462632386 1068118850 /nfs/dbraw/zinc/11/88/50/1068118850.db2.gz JIIUBTYGXNSZEH-LJQANCHMSA-N 1 0 459.612 4.722 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)CCOc2ccccc2-c2ccccc2)CCOCC1 ZINC001462643856 1068122559 /nfs/dbraw/zinc/12/25/59/1068122559.db2.gz ISZQUNPNIULUEM-UHFFFAOYSA-N 1 0 458.602 4.920 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001462656430 1068125858 /nfs/dbraw/zinc/12/58/58/1068125858.db2.gz XEUBAPGWEUQJQE-MBSDFSHPSA-N 1 0 475.431 4.822 20 0 JJADRO COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001462716339 1068140683 /nfs/dbraw/zinc/14/06/83/1068140683.db2.gz XBSKOGBXZAMEGP-VWLOTQADSA-N 1 0 456.542 4.579 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)cc1C(F)(F)F ZINC001462730240 1068146353 /nfs/dbraw/zinc/14/63/53/1068146353.db2.gz QOHHIVRWWFNCBY-UHFFFAOYSA-N 1 0 458.271 4.907 20 0 JJADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc(Cl)c(Br)cc1C)c1ccccc1 ZINC001462742792 1068151899 /nfs/dbraw/zinc/15/18/99/1068151899.db2.gz VGORGACBAIQZFL-SFHVURJKSA-N 1 0 459.837 4.772 20 0 JJADRO COc1ccc(Oc2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)cc1 ZINC001462756495 1068156982 /nfs/dbraw/zinc/15/69/82/1068156982.db2.gz MRGPCVZOXUVNJP-UHFFFAOYSA-N 1 0 452.576 4.562 20 0 JJADRO Cc1cc(CNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)ccc1F ZINC001462771309 1068163056 /nfs/dbraw/zinc/16/30/56/1068163056.db2.gz PELZTZAJPXUHMR-UKILVPOCSA-N 1 0 473.013 4.875 20 0 JJADRO CN(Cc1ccsc1)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462788915 1068167985 /nfs/dbraw/zinc/16/79/85/1068167985.db2.gz NLVSWRRSGBPKIP-XZOQPEGZSA-N 1 0 461.052 4.831 20 0 JJADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001462821308 1068176147 /nfs/dbraw/zinc/17/61/47/1068176147.db2.gz JSRLHMBKWLUQEQ-YGWXTMFKSA-N 1 0 451.449 4.558 20 0 JJADRO O=C(c1cc(Br)ccc1OC(F)F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001462834420 1068183798 /nfs/dbraw/zinc/18/37/98/1068183798.db2.gz CXAFDXCOYYHTII-SJORKVTESA-N 1 0 465.338 4.645 20 0 JJADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001462890613 1068204975 /nfs/dbraw/zinc/20/49/75/1068204975.db2.gz WTEWIMNGYQWUQU-HXUWFJFHSA-N 1 0 451.430 4.509 20 0 JJADRO CC[C@@H](C)Oc1cccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001462912966 1068212648 /nfs/dbraw/zinc/21/26/48/1068212648.db2.gz QYKKILBYKGLWFX-QGZVFWFLSA-N 1 0 458.546 4.635 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)C[C@@H]1CCCC(F)(F)C1 ZINC001462920083 1068214211 /nfs/dbraw/zinc/21/42/11/1068214211.db2.gz IZCIGPHVPCYBAQ-MRXNPFEDSA-N 1 0 457.414 4.902 20 0 JJADRO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)[NH+]2CCCC2)cc1 ZINC001462956315 1068228988 /nfs/dbraw/zinc/22/89/88/1068228988.db2.gz PXOPYMBOPUPOFF-GOSISDBHSA-N 1 0 457.821 4.526 20 0 JJADRO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003828 1068246178 /nfs/dbraw/zinc/24/61/78/1068246178.db2.gz VRSVOLLEQRQZCG-OYHNWAKOSA-N 1 0 452.904 4.907 20 0 JJADRO COc1ccc(Oc2ccc(S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)cc2)cc1 ZINC001463017394 1068253221 /nfs/dbraw/zinc/25/32/21/1068253221.db2.gz MBKVJSWDMKMTDS-IBGZPJMESA-N 1 0 454.592 4.895 20 0 JJADRO CC(C)C[C@H](CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2)[NH2+][C@H](C)c1ccccc1 ZINC001463071531 1068276759 /nfs/dbraw/zinc/27/67/59/1068276759.db2.gz CETKITWCYYIYBX-MBOZVWFJSA-N 1 0 451.032 4.707 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2cccnc2SCc2c(C)noc2C)CC1)CC1CC1 ZINC001546136603 1068289018 /nfs/dbraw/zinc/28/90/18/1068289018.db2.gz KXIHIWBZBRZTCE-UHFFFAOYSA-N 1 0 456.656 4.953 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1)CC1CC1 ZINC001546136591 1068288756 /nfs/dbraw/zinc/28/87/56/1068288756.db2.gz KQRUXCWJWDJTRY-XMMPIXPASA-N 1 0 457.659 4.656 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001463120239 1068293644 /nfs/dbraw/zinc/29/36/44/1068293644.db2.gz IVOSOPMCVKQMOA-QFIPXVFZSA-N 1 0 456.652 4.931 20 0 JJADRO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC001463144302 1068301541 /nfs/dbraw/zinc/30/15/41/1068301541.db2.gz CGLAUPDIXKSNLJ-JLYLLQBASA-N 1 0 458.068 4.576 20 0 JJADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001463226007 1068327077 /nfs/dbraw/zinc/32/70/77/1068327077.db2.gz QIARGQFRBWYLDD-NRFANRHFSA-N 1 0 456.505 4.521 20 0 JJADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001463251244 1068335280 /nfs/dbraw/zinc/33/52/80/1068335280.db2.gz BMMKQLJYAYVZRO-UHFFFAOYSA-N 1 0 458.249 4.641 20 0 JJADRO COc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C(C)C ZINC001463286657 1068344704 /nfs/dbraw/zinc/34/47/04/1068344704.db2.gz ZPLPVLPPSQAXCX-LADGPHEKSA-N 1 0 456.652 4.802 20 0 JJADRO Cc1ccc(I)cc1C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463341378 1068362997 /nfs/dbraw/zinc/36/29/97/1068362997.db2.gz CRLJVVIIOFCMIU-DYXWJJEUSA-N 1 0 474.386 4.630 20 0 JJADRO CCCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001463369467 1068374580 /nfs/dbraw/zinc/37/45/80/1068374580.db2.gz ZNOSRRNTKLMKAO-OAQYLSRUSA-N 1 0 454.014 4.596 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3OCc3cccc(Br)c3)C[C@@H]2C1 ZINC001463371809 1068375079 /nfs/dbraw/zinc/37/50/79/1068375079.db2.gz BLHDZDDEVBPPAN-SVFBPWRDSA-N 1 0 457.412 4.830 20 0 JJADRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(C(F)(F)C(F)(F)F)cc3)CC2)CC1 ZINC001463382893 1068379308 /nfs/dbraw/zinc/37/93/08/1068379308.db2.gz KHNJCULRFMVEAZ-UHFFFAOYSA-N 1 0 454.505 4.662 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1 ZINC001463423623 1068392731 /nfs/dbraw/zinc/39/27/31/1068392731.db2.gz JAFBZUAKBXSKNP-VWLOTQADSA-N 1 0 455.558 4.690 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccccc3OC(F)(F)F)c3cnccc32)CC1 ZINC001463429317 1068394261 /nfs/dbraw/zinc/39/42/61/1068394261.db2.gz IWOYRYIGTGRVJC-TWGQIWQCSA-N 1 0 456.468 4.537 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)CCOc3ccc(Cl)c(Cl)c3)c3cnccc32)CC1 ZINC001463438602 1068397752 /nfs/dbraw/zinc/39/77/52/1068397752.db2.gz YNPOPMVZLVVVSG-UHFFFAOYSA-N 1 0 459.377 4.701 20 0 JJADRO Cc1ccc(S(=O)(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1C(F)(F)F ZINC001463460848 1068406710 /nfs/dbraw/zinc/40/67/10/1068406710.db2.gz VYAHJIRHVRQNRI-UHFFFAOYSA-N 1 0 452.542 4.691 20 0 JJADRO C[NH+](C)CCn1ncc(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1-c1ccccc1 ZINC001463477158 1068414351 /nfs/dbraw/zinc/41/43/51/1068414351.db2.gz QZVKULGLCAQELB-FXAWDEMLSA-N 1 0 457.405 4.952 20 0 JJADRO Cc1cc(C)n(CCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC001463541945 1068435241 /nfs/dbraw/zinc/43/52/41/1068435241.db2.gz LVYGBUPQMUKMGJ-LOSJGSFVSA-N 1 0 451.014 4.575 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2c(Cl)cc(F)cc2Br)[NH+]2CCCC2)c1 ZINC001463557773 1068440806 /nfs/dbraw/zinc/44/08/06/1068440806.db2.gz NOKOVDBENCVZHB-SFHVURJKSA-N 1 0 455.755 4.817 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2c(Cl)cc(F)cc2Br)[NH+]2CCCC2)c1 ZINC001463557771 1068440999 /nfs/dbraw/zinc/44/09/99/1068440999.db2.gz NOKOVDBENCVZHB-GOSISDBHSA-N 1 0 455.755 4.817 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cs1 ZINC001463569917 1068450296 /nfs/dbraw/zinc/45/02/96/1068450296.db2.gz WWKVREUQPOVLPT-QGZVFWFLSA-N 1 0 450.649 4.647 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2C1 ZINC001463570046 1068450375 /nfs/dbraw/zinc/45/03/75/1068450375.db2.gz XUTUFMDCXLQOSG-UHFFFAOYSA-N 1 0 455.643 4.898 20 0 JJADRO COc1ccc([C@H](CNC(=O)c2ccc(Nc3nccs3)cc2F)[NH+]2CCCCC2)cc1 ZINC001463661940 1068486296 /nfs/dbraw/zinc/48/62/96/1068486296.db2.gz VCEMBDRQZVVVLG-QFIPXVFZSA-N 1 0 454.571 4.991 20 0 JJADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1ccc(C)c(Br)c1)c1ccc(Cl)cc1 ZINC001463678404 1068491066 /nfs/dbraw/zinc/49/10/66/1068491066.db2.gz XOZOZIRZPYUBGB-IBGZPJMESA-N 1 0 459.837 4.772 20 0 JJADRO CCc1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2Br)[NH+](C)C)cc1 ZINC001463760383 1068515450 /nfs/dbraw/zinc/51/54/50/1068515450.db2.gz HBJIRHMSSDBBLP-NRFANRHFSA-N 1 0 455.396 4.963 20 0 JJADRO COc1cccc([C@H](CNC(=O)CCCSc2ccc(Br)cc2)[NH+](C)C)c1 ZINC001463760986 1068515779 /nfs/dbraw/zinc/51/57/79/1068515779.db2.gz BUDBEPHYBZVAJX-FQEVSTJZSA-N 1 0 451.430 4.749 20 0 JJADRO CCc1ccc([C@H](CNC(=O)CCOc2ccc(Cl)cc2Br)[NH+](C)C)cc1 ZINC001463768020 1068518308 /nfs/dbraw/zinc/51/83/08/1068518308.db2.gz ZNINHUZGNNFKBB-IBGZPJMESA-N 1 0 453.808 4.853 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)[NH+](C)C)c1 ZINC001463770493 1068519228 /nfs/dbraw/zinc/51/92/28/1068519228.db2.gz QHSLBYMMUSYHFG-HHHXNRCGSA-N 1 0 454.574 4.889 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)Cc1ccccc1 ZINC001463770385 1068519275 /nfs/dbraw/zinc/51/92/75/1068519275.db2.gz MMDJDWKUZKSSSL-PKTZIBPZSA-N 1 0 453.627 4.568 20 0 JJADRO CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)c2C1 ZINC001463773223 1068520379 /nfs/dbraw/zinc/52/03/79/1068520379.db2.gz BCEBQEQJUUSGJT-NHCUHLMSSA-N 1 0 451.655 4.863 20 0 JJADRO C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463786036 1068523612 /nfs/dbraw/zinc/52/36/12/1068523612.db2.gz UXFFRBOEHZKWDK-FYYLOGMGSA-N 1 0 457.659 4.962 20 0 JJADRO C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463786046 1068523742 /nfs/dbraw/zinc/52/37/42/1068523742.db2.gz UXFFRBOEHZKWDK-GGAORHGYSA-N 1 0 457.659 4.962 20 0 JJADRO CC(C)c1nc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nn1-c1ccccc1F ZINC001463792896 1068525710 /nfs/dbraw/zinc/52/57/10/1068525710.db2.gz AGOBSHZDWLLFCF-UHFFFAOYSA-N 1 0 455.965 4.578 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001463797528 1068528086 /nfs/dbraw/zinc/52/80/86/1068528086.db2.gz YKUVMGDWXSXPEV-LEWJYISDSA-N 1 0 450.023 4.504 20 0 JJADRO O=C([C@H](F)CN(Cc1ccccc1)Cc1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001463825471 1068536932 /nfs/dbraw/zinc/53/69/32/1068536932.db2.gz GYHRSHMPRUSLOM-MUUNZHRXSA-N 1 0 459.609 4.761 20 0 JJADRO CO[C@H](CC(C)C)CS(=O)(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001463832921 1068540496 /nfs/dbraw/zinc/54/04/96/1068540496.db2.gz DTSVXMZLPKCBLN-RPBOFIJWSA-N 1 0 450.689 4.534 20 0 JJADRO CCN1C(=O)C[C@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H]1c1cccc(C)c1 ZINC001463832847 1068540528 /nfs/dbraw/zinc/54/05/28/1068540528.db2.gz AZPPZKIKXNDHMX-PWWKTKHKSA-N 1 0 454.014 4.511 20 0 JJADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC001463839348 1068543581 /nfs/dbraw/zinc/54/35/81/1068543581.db2.gz MIAZISIJQBVYGF-WTIAFYNJSA-N 1 0 451.577 4.940 20 0 JJADRO CCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001546142432 1068554576 /nfs/dbraw/zinc/55/45/76/1068554576.db2.gz JXBKNMFHTKUYNT-FQEVSTJZSA-N 1 0 474.694 4.550 20 0 JJADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4cccc(Br)c4)no3)CC2)cc1 ZINC001463908242 1068561766 /nfs/dbraw/zinc/56/17/66/1068561766.db2.gz QIRWXSGYUPNFCA-UHFFFAOYSA-N 1 0 454.368 4.761 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1Cl ZINC001463913398 1068563383 /nfs/dbraw/zinc/56/33/83/1068563383.db2.gz JBMKQNCZJBNSBT-WAOWUJCRSA-N 1 0 452.039 4.923 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(Br)cc1Cl)c1cccc(OC)c1 ZINC001463916240 1068564803 /nfs/dbraw/zinc/56/48/03/1068564803.db2.gz MHOZFMCPZFNSBM-HXUWFJFHSA-N 1 0 453.808 4.853 20 0 JJADRO C[NH+](C)CCn1c2cc(C(=O)N[C@@H](CCCc3ccccc3)c3ccccc3)ccc2[nH]c1=O ZINC001463915768 1068564872 /nfs/dbraw/zinc/56/48/72/1068564872.db2.gz DWTZBGBHEMTRDB-DEOSSOPVSA-N 1 0 456.590 4.798 20 0 JJADRO C[NH+](C)CCSc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cs1 ZINC001463915983 1068564986 /nfs/dbraw/zinc/56/49/86/1068564986.db2.gz PRJGRABHJLWHFI-UHFFFAOYSA-N 1 0 458.575 4.597 20 0 JJADRO CCc1c(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)cnn1-c1cccc(Cl)c1 ZINC001463920176 1068566168 /nfs/dbraw/zinc/56/61/68/1068566168.db2.gz VZVCVSRSRHQDBY-DEOSSOPVSA-N 1 0 455.002 4.910 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C(F)=C\c2ccc(C(F)(F)F)cc2)cc1 ZINC001463982511 1068581481 /nfs/dbraw/zinc/58/14/81/1068581481.db2.gz RSOFHJZVLXZUJD-HMMYKYKNSA-N 1 0 451.464 4.726 20 0 JJADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC001464011919 1068588092 /nfs/dbraw/zinc/58/80/92/1068588092.db2.gz UUEYJVQVNYKYLZ-WBVHZDCISA-N 1 0 460.905 4.544 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C4CC4)N3C(=O)OC(C)(C)C)cc2)CC1 ZINC001464016325 1068589995 /nfs/dbraw/zinc/58/99/95/1068589995.db2.gz AUTLADKXYFWELC-BJKOFHAPSA-N 1 0 455.643 4.713 20 0 JJADRO O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001464094234 1068612707 /nfs/dbraw/zinc/61/27/07/1068612707.db2.gz XTLOFEGDYBXGMX-HEHNFIMWSA-N 1 0 451.920 4.614 20 0 JJADRO CC[C@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC001464099787 1068615462 /nfs/dbraw/zinc/61/54/62/1068615462.db2.gz LHRBOVVTWNZFFC-OAQYLSRUSA-N 1 0 456.030 4.569 20 0 JJADRO Cc1cc(CCC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccc1Br ZINC001464117901 1068620518 /nfs/dbraw/zinc/62/05/18/1068620518.db2.gz BIASMMACAWIXCJ-OALUTQOASA-N 1 0 459.428 4.616 20 0 JJADRO Cn1c(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc2ccccc21 ZINC001464118047 1068621155 /nfs/dbraw/zinc/62/11/55/1068621155.db2.gz BZLSRTWBCRDTDK-UHFFFAOYSA-N 1 0 458.528 4.529 20 0 JJADRO Cc1ccc(CCC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(Br)c1 ZINC001464121659 1068622349 /nfs/dbraw/zinc/62/23/49/1068622349.db2.gz MVUSWLOBCBEGQO-KDURUIRLSA-N 1 0 459.428 4.616 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)C[C@H](C)O1 ZINC001464122177 1068622480 /nfs/dbraw/zinc/62/24/80/1068622480.db2.gz RCULXXQJLAKBNP-HDICACEKSA-N 1 0 459.512 4.743 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(Cl)c(C)cc3Br)cc2)CC1 ZINC001464123078 1068623082 /nfs/dbraw/zinc/62/30/82/1068623082.db2.gz BPMJHOZSLWABKU-UHFFFAOYSA-N 1 0 450.808 4.801 20 0 JJADRO Cc1ccc2cc(C(=O)NCCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]c2c1 ZINC001464123998 1068623176 /nfs/dbraw/zinc/62/31/76/1068623176.db2.gz UXGQXLHPXFCUFC-UHFFFAOYSA-N 1 0 458.528 4.827 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CN(Cc3ccccc3)c3ccccc3)cc2)C[C@@H](C)O1 ZINC001464125105 1068624336 /nfs/dbraw/zinc/62/43/36/1068624336.db2.gz YSCVWPRPUKHHFR-DNQXCXABSA-N 1 0 457.618 4.619 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(C)(C)Cc3ccc(Br)cc3)cc2)CC1 ZINC001464128000 1068625416 /nfs/dbraw/zinc/62/54/16/1068625416.db2.gz ZZTWTDKDJBCWPK-UHFFFAOYSA-N 1 0 458.444 4.794 20 0 JJADRO Cc1c(C(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)n[nH]c1C(F)(F)F ZINC001464131472 1068627643 /nfs/dbraw/zinc/62/76/43/1068627643.db2.gz CXDSNBHSXWMHOD-UHFFFAOYSA-N 1 0 457.500 4.620 20 0 JJADRO COc1ccc(/C=C\C(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)cc1O ZINC001464135808 1068629363 /nfs/dbraw/zinc/62/93/63/1068629363.db2.gz ZPBXZVLMEVCVLB-LCYFTJDESA-N 1 0 457.574 4.683 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)C1 ZINC001464154792 1068635783 /nfs/dbraw/zinc/63/57/83/1068635783.db2.gz QDCGYRRSWOLRJF-NZQKXSOJSA-N 1 0 455.643 4.572 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC001464156576 1068636134 /nfs/dbraw/zinc/63/61/34/1068636134.db2.gz WUDOITMTGSRLSP-JOCHJYFZSA-N 1 0 455.602 4.632 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(C)n([C@H](C)c4ccccc4)c3C)cc2)CC1 ZINC001464157470 1068636441 /nfs/dbraw/zinc/63/64/41/1068636441.db2.gz HAHVMXPLGQSYGW-HSZRJFAPSA-N 1 0 458.650 4.782 20 0 JJADRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464162411 1068639050 /nfs/dbraw/zinc/63/90/50/1068639050.db2.gz WTLPJWBRFCHEDO-JPYJTQIMSA-N 1 0 452.624 4.725 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1 ZINC001464191864 1068650189 /nfs/dbraw/zinc/65/01/89/1068650189.db2.gz DZRZNDYFXWQZRP-HDICACEKSA-N 1 0 457.018 4.841 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1 ZINC001464191865 1068650267 /nfs/dbraw/zinc/65/02/67/1068650267.db2.gz DZRZNDYFXWQZRP-QZTJIDSGSA-N 1 0 457.018 4.841 20 0 JJADRO CCn1c2ccccc2nc1SCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001464192004 1068650337 /nfs/dbraw/zinc/65/03/37/1068650337.db2.gz GWBAQEDSEOFCIC-BGYRXZFFSA-N 1 0 450.652 4.943 20 0 JJADRO C[C@H](CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)[N@@H+]1CCCC[C@@H]1C ZINC001464199762 1068653383 /nfs/dbraw/zinc/65/33/83/1068653383.db2.gz OYMAXNOCZQQSMW-RBUKOAKNSA-N 1 0 455.002 4.648 20 0 JJADRO C[C@@H](CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)[N@@H+]1CCCC[C@@H]1C ZINC001464199757 1068653461 /nfs/dbraw/zinc/65/34/61/1068653461.db2.gz OYMAXNOCZQQSMW-OALUTQOASA-N 1 0 455.002 4.648 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cnn3cccc(Br)c23)C1 ZINC001464205407 1068656273 /nfs/dbraw/zinc/65/62/73/1068656273.db2.gz TWKYAUAZGQPXMQ-IRXDYDNUSA-N 1 0 455.400 4.505 20 0 JJADRO COc1ccccc1-c1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c(=O)[nH]1 ZINC001464213378 1068659898 /nfs/dbraw/zinc/65/98/98/1068659898.db2.gz RNEREKAELWSWKH-PMACEKPBSA-N 1 0 459.590 4.871 20 0 JJADRO COc1ccccc1-c1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c(=O)[nH]1 ZINC001464213371 1068659904 /nfs/dbraw/zinc/65/99/04/1068659904.db2.gz RNEREKAELWSWKH-BGYRXZFFSA-N 1 0 459.590 4.871 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCN(CC3CC3)C(=O)OC(C)(C)C)cc2)C1 ZINC001464212056 1068659950 /nfs/dbraw/zinc/65/99/50/1068659950.db2.gz OTFSMBYSZKNAEZ-NHCUHLMSSA-N 1 0 457.659 4.818 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC001464236155 1068669074 /nfs/dbraw/zinc/66/90/74/1068669074.db2.gz MANRTOMCQKWONR-IBGZPJMESA-N 1 0 457.537 4.604 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC001464236170 1068669099 /nfs/dbraw/zinc/66/90/99/1068669099.db2.gz MANRTOMCQKWONR-LJQANCHMSA-N 1 0 457.537 4.604 20 0 JJADRO Cc1ccc(CNC(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)s1 ZINC001464249358 1068675393 /nfs/dbraw/zinc/67/53/93/1068675393.db2.gz PDBJTAHCLGOEJZ-UHFFFAOYSA-N 1 0 457.640 4.622 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c1 ZINC001464262448 1068679973 /nfs/dbraw/zinc/67/99/73/1068679973.db2.gz MSQJPQYQHSNOTQ-UHFFFAOYSA-N 1 0 455.400 4.715 20 0 JJADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C1(c2cccc(Br)c2)CCCCC1 ZINC001464272827 1068684706 /nfs/dbraw/zinc/68/47/06/1068684706.db2.gz QIYJXUQCUYRULH-UHFFFAOYSA-N 1 0 456.428 4.827 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 ZINC001464275655 1068686132 /nfs/dbraw/zinc/68/61/32/1068686132.db2.gz XAGCFYWRWCQPQS-UHFFFAOYSA-N 1 0 458.484 4.678 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001464302483 1068698344 /nfs/dbraw/zinc/69/83/44/1068698344.db2.gz WKJNSQZVEFWQMF-QFIPXVFZSA-N 1 0 459.631 4.773 20 0 JJADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 ZINC001464308236 1068700176 /nfs/dbraw/zinc/70/01/76/1068700176.db2.gz FABVEJMWPSRYFE-UHFFFAOYSA-N 1 0 457.361 4.970 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1ccccc1NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC001464333064 1068709589 /nfs/dbraw/zinc/70/95/89/1068709589.db2.gz MDSHRSAHZGBWDE-JOCHJYFZSA-N 1 0 453.583 4.999 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)C1(c2ccccc2Br)CC1)[NH+]1CCCCC1 ZINC001464333037 1068709708 /nfs/dbraw/zinc/70/97/08/1068709708.db2.gz LRWMMKJAYASFBH-OAQYLSRUSA-N 1 0 457.412 4.833 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)[NH+]1CCCCC1 ZINC001464334561 1068710116 /nfs/dbraw/zinc/71/01/16/1068710116.db2.gz NTGVJEKHYWFRAY-OAQYLSRUSA-N 1 0 456.384 4.896 20 0 JJADRO C[C@@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)C[NH+]1CCCCC1 ZINC001464354059 1068717227 /nfs/dbraw/zinc/71/72/27/1068717227.db2.gz JLRZLXFTUDFMAV-SFHVURJKSA-N 1 0 459.516 4.534 20 0 JJADRO CC(C)(C)CC[NH+]1CCN(C(=O)Cc2csc(-c3sccc3Br)n2)CC1 ZINC001464372572 1068721828 /nfs/dbraw/zinc/72/18/28/1068721828.db2.gz FPLTUTSVYZRSSW-UHFFFAOYSA-N 1 0 456.475 4.757 20 0 JJADRO O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001464376139 1068724216 /nfs/dbraw/zinc/72/42/16/1068724216.db2.gz CAJVICQTQGGQNO-UHFFFAOYSA-N 1 0 451.302 4.734 20 0 JJADRO CC(C)(C)CC[NH+]1CCN(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC001464380305 1068725200 /nfs/dbraw/zinc/72/52/00/1068725200.db2.gz VQMHYXMGJDPXFO-UHFFFAOYSA-N 1 0 453.414 4.947 20 0 JJADRO C[C@@H]1CCC[C@](CNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)([NH+](C)C)C1 ZINC001464394717 1068730338 /nfs/dbraw/zinc/73/03/38/1068730338.db2.gz ASRZWDLYPBVMIC-ZNFSXRAMSA-N 1 0 452.639 4.952 20 0 JJADRO C[C@H]1CCC[C@](CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)([NH+](C)C)C1 ZINC001464399603 1068732481 /nfs/dbraw/zinc/73/24/81/1068732481.db2.gz JKHQDFQJDTYYIB-NYHFZMIOSA-N 1 0 453.414 4.993 20 0 JJADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001464434943 1068744409 /nfs/dbraw/zinc/74/44/09/1068744409.db2.gz UGHDGEXLODVQRO-QRVBRYPASA-N 1 0 459.660 4.618 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464444725 1068748357 /nfs/dbraw/zinc/74/83/57/1068748357.db2.gz VELHWFUATGRQPL-PZUNEJSGSA-N 1 0 469.670 4.688 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC001464448581 1068749588 /nfs/dbraw/zinc/74/95/88/1068749588.db2.gz HGCUEOVGFDBAPI-AOYPEHQESA-N 1 0 477.649 4.989 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)cc2Cl)CC1 ZINC001464467711 1068757266 /nfs/dbraw/zinc/75/72/66/1068757266.db2.gz MZPFFOYOXUTQBH-UHFFFAOYSA-N 1 0 457.018 4.916 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001464469570 1068758325 /nfs/dbraw/zinc/75/83/25/1068758325.db2.gz QAMUOSDUPFQRNG-SJBKTWHCSA-N 1 0 451.696 4.970 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)CSc3nccn3C(C)(C)C)cc2Cl)CC1 ZINC001464470714 1068758900 /nfs/dbraw/zinc/75/89/00/1068758900.db2.gz UAVMZFOZPATCOF-UHFFFAOYSA-N 1 0 450.052 4.554 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)C12CCC(C(=O)OC)(CC1)CC2)c1ccc(C(F)(F)F)cc1 ZINC001464492162 1068765269 /nfs/dbraw/zinc/76/52/69/1068765269.db2.gz IORZYCHABUJLJA-YUVSOPLDSA-N 1 0 454.533 4.718 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001464518581 1068771258 /nfs/dbraw/zinc/77/12/58/1068771258.db2.gz MYJPRDAGCDGFCP-KRWDZBQOSA-N 1 0 450.549 4.858 20 0 JJADRO CCNC(=O)Nc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001464539532 1068776139 /nfs/dbraw/zinc/77/61/39/1068776139.db2.gz SXGNBDWBLLGQRP-LEAFIULHSA-N 1 0 456.590 4.856 20 0 JJADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001464563977 1068783025 /nfs/dbraw/zinc/78/30/25/1068783025.db2.gz WQHVMPUOHDIPCB-HXUWFJFHSA-N 1 0 459.656 4.520 20 0 JJADRO COc1ccc(C[NH+]2CCC(CNC(=O)C/C=C\c3ccc(Br)cc3)CC2)cc1 ZINC001464575174 1068788432 /nfs/dbraw/zinc/78/84/32/1068788432.db2.gz RRRKXMGQBJHYBT-IHWYPQMZSA-N 1 0 457.412 4.889 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)[NH+]2CCCC2)cc1 ZINC001464583693 1068791551 /nfs/dbraw/zinc/79/15/51/1068791551.db2.gz JVMBMIFBEQSYPL-LJQANCHMSA-N 1 0 453.384 4.715 20 0 JJADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc2cncc(Br)c2n1 ZINC001464595416 1068793651 /nfs/dbraw/zinc/79/36/51/1068793651.db2.gz JOWVKZJFZQYIFN-UHFFFAOYSA-N 1 0 453.384 4.698 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)[NH+]2CCCC2)cc1 ZINC001464598792 1068794792 /nfs/dbraw/zinc/79/47/92/1068794792.db2.gz UFIMEQHIEUKGGE-XLIONFOSSA-N 1 0 458.628 4.604 20 0 JJADRO COc1c(C)cnc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1C ZINC001464612164 1068798677 /nfs/dbraw/zinc/79/86/77/1068798677.db2.gz OIVNJZBVCQFXOJ-BJKOFHAPSA-N 1 0 464.009 4.892 20 0 JJADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001464628877 1068803765 /nfs/dbraw/zinc/80/37/65/1068803765.db2.gz LJSCABCCEKVICU-DSKINZAPSA-N 1 0 455.565 4.632 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc2c([nH]1)c(Cl)ccc2Br ZINC001464636047 1068806425 /nfs/dbraw/zinc/80/64/25/1068806425.db2.gz JIGVLLDGKAPDSJ-UHFFFAOYSA-N 1 0 452.755 4.927 20 0 JJADRO COc1ccc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(Br)cc3)c(C)nc2c1 ZINC001464637530 1068807086 /nfs/dbraw/zinc/80/70/86/1068807086.db2.gz QCBPEHMKUUZDFR-UHFFFAOYSA-N 1 0 456.384 4.518 20 0 JJADRO Cc1ccc(Br)c2[nH]c(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3F)cc21 ZINC001464645734 1068809753 /nfs/dbraw/zinc/80/97/53/1068809753.db2.gz YHZCLKDZOAPFKT-UHFFFAOYSA-N 1 0 450.327 4.721 20 0 JJADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC001464655155 1068813294 /nfs/dbraw/zinc/81/32/94/1068813294.db2.gz JBARBONGVMVGEF-UHFFFAOYSA-N 1 0 456.546 4.567 20 0 JJADRO Cc1ccc([C@H](CNC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[NH+]2CCCC2)o1 ZINC001464681615 1068823069 /nfs/dbraw/zinc/82/30/69/1068823069.db2.gz HTGCHPZQSKBFIR-YADHBBJMSA-N 1 0 453.583 4.723 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1Cl ZINC001464683097 1068823792 /nfs/dbraw/zinc/82/37/92/1068823792.db2.gz AKLUQSKTZIIZHA-UKILVPOCSA-N 1 0 455.023 4.985 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)c1 ZINC001464690793 1068826262 /nfs/dbraw/zinc/82/62/62/1068826262.db2.gz SFBAHMPHSRUJRZ-UHFFFAOYSA-N 1 0 451.958 4.797 20 0 JJADRO O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl ZINC001464703908 1068830775 /nfs/dbraw/zinc/83/07/75/1068830775.db2.gz DQEJSNGZCNOAFC-RBBKRZOGSA-N 1 0 461.414 4.940 20 0 JJADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000040722948 569831572 /nfs/dbraw/zinc/83/15/72/569831572.db2.gz JMNZNVCIRKSIAK-UHFFFAOYSA-N 1 0 465.402 4.552 20 0 JJADRO FC(F)(F)[C@H]1N(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)CCC12CC[NH2+]CC2 ZINC001164388030 718814239 /nfs/dbraw/zinc/81/42/39/718814239.db2.gz MIXCFJIWONOKDZ-AWEZNQCLSA-N 1 0 455.258 4.992 20 0 JJADRO FC(F)(F)[C@H]1N(c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)CCC12CC[NH2+]CC2 ZINC001164388009 718815303 /nfs/dbraw/zinc/81/53/03/718815303.db2.gz LWXMRJNHCYGVOJ-QFIPXVFZSA-N 1 0 479.616 4.677 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c2c1C ZINC001164389336 718815425 /nfs/dbraw/zinc/81/54/25/718815425.db2.gz VEUBHLGHLPLZQR-NRFANRHFSA-N 1 0 467.605 4.805 20 0 JJADRO Fc1ccccc1-c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c(Cl)nn1 ZINC001164388243 718815974 /nfs/dbraw/zinc/81/59/74/718815974.db2.gz NRYFGUQZMNGULR-KRWDZBQOSA-N 1 0 464.841 4.992 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2c1C ZINC001164414457 718881438 /nfs/dbraw/zinc/88/14/38/718881438.db2.gz UNYBBKJBPNPPCF-KRWDZBQOSA-N 1 0 467.605 4.947 20 0 JJADRO F[C@]1(N2CCCC[C@H]2C2CC[NH2+]CC2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164418562 718892282 /nfs/dbraw/zinc/89/22/82/718892282.db2.gz PADZTHPLRFEGSQ-RDPSFJRHSA-N 1 0 478.443 4.776 20 0 JJADRO Cc1nc2c(n1-c1nc(CN3CCC(C)CC3)nc3scc(-c4cccs4)c31)CC[NH2+]CC2 ZINC001164430008 718948952 /nfs/dbraw/zinc/94/89/52/718948952.db2.gz RWMURHBFUQYWOK-UHFFFAOYSA-N 1 0 478.691 4.834 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](c4ccccc4)C(=O)N3CCOC)CC2)nc1 ZINC001164430695 718954391 /nfs/dbraw/zinc/95/43/91/718954391.db2.gz WGOKIACMLSLICQ-UIOOFZCWSA-N 1 0 476.665 4.630 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164614902 719008331 /nfs/dbraw/zinc/00/83/31/719008331.db2.gz GVIKVTWNICXJOZ-VGSWGCGISA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164615605 719009197 /nfs/dbraw/zinc/00/91/97/719009197.db2.gz JDWKAGHPJXKLCE-ZHRRBRCNSA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164618240 719011738 /nfs/dbraw/zinc/01/17/38/719011738.db2.gz RLWKFIWYGZEASL-AUSIDOKSSA-N 1 0 479.955 4.689 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164618242 719011886 /nfs/dbraw/zinc/01/18/86/719011886.db2.gz RLWKFIWYGZEASL-CVDCTZTESA-N 1 0 479.955 4.689 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)nc(Cl)c(Cl)c3Cl)CC2)CC1 ZINC001164613925 719023965 /nfs/dbraw/zinc/02/39/65/719023965.db2.gz JXJFURQIJAKKSE-UHFFFAOYSA-N 1 0 455.213 4.939 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(-c4ccc(F)c(F)c4)c4ccccc43)CC2)CC1 ZINC001164618689 719031287 /nfs/dbraw/zinc/03/12/87/719031287.db2.gz YRHRWEUCBVDLPY-UHFFFAOYSA-N 1 0 480.559 4.819 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(CSC)nc4sc5c(c43)CCCC5)CC2)CC1 ZINC001164618639 719031943 /nfs/dbraw/zinc/03/19/43/719031943.db2.gz WYQVORYBMAFMTF-UHFFFAOYSA-N 1 0 488.723 4.677 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(COC)nc4scc(-c5ccccc5)c43)CC2)CC1 ZINC001164618520 719033145 /nfs/dbraw/zinc/03/31/45/719033145.db2.gz UHMAMFVLZNQEAN-UHFFFAOYSA-N 1 0 494.661 4.749 20 0 JJADRO c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2nc(CN4CCCC4)nc4sc5c(c42)CCCC5)C3)cc1 ZINC001164619271 719047700 /nfs/dbraw/zinc/04/77/00/719047700.db2.gz CHGQXMALNYSWSD-DFHRPNOPSA-N 1 0 473.690 4.749 20 0 JJADRO c1ccc([C@H]2C[NH2+]C[C@@]23CCN(c2nc(CN4CCCC4)nc4sc5c(c42)CCCC5)C3)cc1 ZINC001164619279 719048170 /nfs/dbraw/zinc/04/81/70/719048170.db2.gz CHGQXMALNYSWSD-SKCUWOTOSA-N 1 0 473.690 4.749 20 0 JJADRO COc1ccccc1-c1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c(Cl)nn1 ZINC001164628687 719049731 /nfs/dbraw/zinc/04/97/31/719049731.db2.gz YRPPBCHDNBJYLX-RDPSFJRHSA-N 1 0 470.951 4.934 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627376 719095016 /nfs/dbraw/zinc/09/50/16/719095016.db2.gz JYMFQSFXLLOTDE-VQTJNVASSA-N 1 0 455.940 4.838 20 0 JJADRO O=c1[nH]c2ccccc2n1C1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001164621155 719129507 /nfs/dbraw/zinc/12/95/07/719129507.db2.gz LIPUTRJTLZFOIO-UHFFFAOYSA-N 1 0 459.928 4.553 20 0 JJADRO Fc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164656409 719296769 /nfs/dbraw/zinc/29/67/69/719296769.db2.gz XCJWPEBSPSEABD-AJTFRIOCSA-N 1 0 494.014 4.834 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3nc(C(=O)N(CC)CC)sc3CC2)nc1 ZINC001164663384 719359955 /nfs/dbraw/zinc/35/99/55/719359955.db2.gz DMLXHWRJAIJGAJ-OAQYLSRUSA-N 1 0 455.672 4.562 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1 ZINC001164679077 719531396 /nfs/dbraw/zinc/53/13/96/719531396.db2.gz RHSGBUMNEOZGPY-VWLOTQADSA-N 1 0 452.618 4.639 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)nc1 ZINC001164682464 719594172 /nfs/dbraw/zinc/59/41/72/719594172.db2.gz BYJMKIVQWSWWMP-JOCHJYFZSA-N 1 0 453.656 4.555 20 0 JJADRO Cc1cccc2ccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc12 ZINC001164681704 719655404 /nfs/dbraw/zinc/65/54/04/719655404.db2.gz QEDWFQBBTRXQHD-QHCPKHFHSA-N 1 0 456.634 4.637 20 0 JJADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695059 719887384 /nfs/dbraw/zinc/88/73/84/719887384.db2.gz JTMVREWOPUEGHX-UHFFFAOYSA-N 1 0 464.969 4.761 20 0 JJADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696221 719896991 /nfs/dbraw/zinc/89/69/91/719896991.db2.gz CLHRQIPWFVUYFX-UHFFFAOYSA-N 1 0 452.958 4.694 20 0 JJADRO Fc1ccc(-c2nc(Cl)cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164707359 719899774 /nfs/dbraw/zinc/89/97/74/719899774.db2.gz QFUYJIJYVXLQLN-UHFFFAOYSA-N 1 0 458.990 4.869 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164806391 720094205 /nfs/dbraw/zinc/09/42/05/720094205.db2.gz BXGRBSNUPCQDRA-SPLOXXLWSA-N 1 0 455.817 4.775 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164806392 720094419 /nfs/dbraw/zinc/09/44/19/720094419.db2.gz BXGRBSNUPCQDRA-SZNDQCEHSA-N 1 0 455.817 4.775 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164711077 720096384 /nfs/dbraw/zinc/09/63/84/720096384.db2.gz NWBQKZJUOMRRLF-SFHVURJKSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164806716 720100756 /nfs/dbraw/zinc/10/07/56/720100756.db2.gz DAZPDCKURDNZPT-KKSFZXQISA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164711999 720101416 /nfs/dbraw/zinc/10/14/16/720101416.db2.gz TWGNRXHQYCNIHI-HSZRJFAPSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(C(C)(C)C)sc31)CC2 ZINC001164719098 720106641 /nfs/dbraw/zinc/10/66/41/720106641.db2.gz VZIQYQORZNRDGR-FQEVSTJZSA-N 1 0 465.667 4.891 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164714091 720107701 /nfs/dbraw/zinc/10/77/01/720107701.db2.gz AAVNKXYEVWDBDJ-NRFANRHFSA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3sc(C)cc31)CC2 ZINC001164717434 720109398 /nfs/dbraw/zinc/10/93/98/720109398.db2.gz OZBLUHLJLGEMCN-SFHVURJKSA-N 1 0 458.031 4.556 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164716884 720111084 /nfs/dbraw/zinc/11/10/84/720111084.db2.gz LEEFJXUNIXEXFT-FQEVSTJZSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164718992 720119511 /nfs/dbraw/zinc/11/95/11/720119511.db2.gz UOURPRCWGXWTCB-SFHVURJKSA-N 1 0 475.971 4.664 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(SC)c(Cl)n1)CC2 ZINC001164717372 720122808 /nfs/dbraw/zinc/12/28/08/720122808.db2.gz NVSHAHLDGBCWHU-SFHVURJKSA-N 1 0 483.028 4.904 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164714296 720126688 /nfs/dbraw/zinc/12/66/88/720126688.db2.gz BQFPOYQPOIWBSU-LJQANCHMSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3F)nc3ccc(C)cc31)C2 ZINC001164806989 720130935 /nfs/dbraw/zinc/13/09/35/720130935.db2.gz ADBFZMCALFBGAM-LYZGTLIUSA-N 1 0 460.597 4.929 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164713573 720132063 /nfs/dbraw/zinc/13/20/63/720132063.db2.gz SDNYYMMWQMBXKW-DEOSSOPVSA-N 1 0 478.040 4.623 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(SC)cnc1Cl)CC2 ZINC001164712528 720137060 /nfs/dbraw/zinc/13/70/60/720137060.db2.gz NDYOISPCCGQFIK-SFHVURJKSA-N 1 0 483.028 4.904 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(OC)ccc3c(Cl)cc(Cl)nc31)C2 ZINC001164810433 720138950 /nfs/dbraw/zinc/13/89/50/720138950.db2.gz JRPNRIXAIREPKM-HJPURHCSSA-N 1 0 450.410 4.735 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164712561 720139668 /nfs/dbraw/zinc/13/96/68/720139668.db2.gz NNSCGRJAYQVCKU-DEOSSOPVSA-N 1 0 486.664 4.523 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164711246 720144399 /nfs/dbraw/zinc/14/43/99/720144399.db2.gz GJURCYFHESXIFP-LJQANCHMSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164714039 720148815 /nfs/dbraw/zinc/14/88/15/720148815.db2.gz VMVVWYYGSJWOFK-OAQYLSRUSA-N 1 0 482.003 4.839 20 0 JJADRO CCN(c1ccccc1)c1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164713121 720150536 /nfs/dbraw/zinc/15/05/36/720150536.db2.gz RDBRXXKEPGVUPW-RUZDIDTESA-N 1 0 472.637 4.537 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164714770 720152138 /nfs/dbraw/zinc/15/21/38/720152138.db2.gz YRRNBBSOWOYTJJ-FQEVSTJZSA-N 1 0 454.977 4.930 20 0 JJADRO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713088 720153311 /nfs/dbraw/zinc/15/33/11/720153311.db2.gz QOFZNHVUEHLIAW-NQIIRXRSSA-N 1 0 458.050 4.854 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)C2 ZINC001164816259 720166380 /nfs/dbraw/zinc/16/63/80/720166380.db2.gz KNCBNBNKCBZRLE-HRFSGMKKSA-N 1 0 464.560 4.760 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)C2 ZINC001164814305 720182028 /nfs/dbraw/zinc/18/20/28/720182028.db2.gz FPSZJQJCOWBPOU-LITSAYRRSA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164815078 720182191 /nfs/dbraw/zinc/18/21/91/720182191.db2.gz HWZCTTOZNNHWPE-NZQKXSOJSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816896 720186960 /nfs/dbraw/zinc/18/69/60/720186960.db2.gz NOSFGRDYSLWKBA-SKCUWOTOSA-N 1 0 491.705 4.605 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164818718 720188783 /nfs/dbraw/zinc/18/87/83/720188783.db2.gz UIOMGTIVBNYJHB-NFBKMPQASA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)C2 ZINC001164810309 720197826 /nfs/dbraw/zinc/19/78/26/720197826.db2.gz BVSHKPYSXOQUCR-SBUREZEXSA-N 1 0 463.409 4.760 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)C2 ZINC001164814585 720202999 /nfs/dbraw/zinc/20/29/99/720202999.db2.gz UUNYPCFCBZLGKL-HYBUGGRVSA-N 1 0 476.999 4.835 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)C2 ZINC001164814586 720203355 /nfs/dbraw/zinc/20/33/55/720203355.db2.gz UUNYPCFCBZLGKL-RDPSFJRHSA-N 1 0 476.999 4.835 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(OC)cc3)nnc1Cl)C2 ZINC001164811514 720203613 /nfs/dbraw/zinc/20/36/13/720203613.db2.gz JDHPOGCOKPGQQY-DVECYGJZSA-N 1 0 492.998 4.535 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)CCC2 ZINC001164813543 720223011 /nfs/dbraw/zinc/22/30/11/720223011.db2.gz OERFRFCKBIIYHP-UHFFFAOYSA-N 1 0 480.616 4.618 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813878 720236641 /nfs/dbraw/zinc/23/66/41/720236641.db2.gz QVDMTGPYUYGDPH-UHFFFAOYSA-N 1 0 480.663 4.535 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 ZINC001164820561 720307957 /nfs/dbraw/zinc/30/79/57/720307957.db2.gz HMZWHHFEZQIBAQ-IZLXSDGUSA-N 1 0 481.644 4.722 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CCC(=O)N5CC4CC[NH+](C)CC4)c23)cc1 ZINC001164823094 720312344 /nfs/dbraw/zinc/31/23/44/720312344.db2.gz OFTSTQUYFBXPDH-GOTSBHOMSA-N 1 0 475.662 4.578 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001164832959 720316959 /nfs/dbraw/zinc/31/69/59/720316959.db2.gz VBTIWVDJFJUDRN-DQEYMECFSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccccc3)nc3ccc(Cl)cc32)CC1 ZINC001164823864 720324922 /nfs/dbraw/zinc/32/49/22/720324922.db2.gz BMFYCUDTTFQZGG-LOSJGSFVSA-N 1 0 490.051 4.862 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824343 720339370 /nfs/dbraw/zinc/33/93/70/720339370.db2.gz HXXLMQQHIJFIMJ-UXHICEINSA-N 1 0 481.691 4.640 20 0 JJADRO Cc1sc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1-c1ccccc1 ZINC001164831621 720339468 /nfs/dbraw/zinc/33/94/68/720339468.db2.gz ZFIDEUCCCRHLBQ-YADHBBJMSA-N 1 0 475.662 4.578 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)CC1 ZINC001164830603 720348503 /nfs/dbraw/zinc/34/85/03/720348503.db2.gz WCNKZKAEFWYNDD-VSGBNLITSA-N 1 0 497.643 4.847 20 0 JJADRO Cc1nc2c(cc(-c3nc(N4CC[C@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730996 720385114 /nfs/dbraw/zinc/38/51/14/720385114.db2.gz XSHDXGOUZCBFCT-GOTSBHOMSA-N 1 0 489.574 4.909 20 0 JJADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730891 720408804 /nfs/dbraw/zinc/40/88/04/720408804.db2.gz JNSBFXXWLAAXPI-FCHUYYIVSA-N 1 0 480.971 4.966 20 0 JJADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735096 720464718 /nfs/dbraw/zinc/46/47/18/720464718.db2.gz VYEUMVXRBBRGKS-XZOQPEGZSA-N 1 0 470.646 4.668 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)C1 ZINC001164729432 720517645 /nfs/dbraw/zinc/51/76/45/720517645.db2.gz NMJIQTWXQYGWPJ-NSHDSACASA-N 1 0 475.758 4.529 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC001164733967 720523915 /nfs/dbraw/zinc/52/39/15/720523915.db2.gz NKFRXIRNBAXOJC-FQEVSTJZSA-N 1 0 481.579 4.621 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)C1 ZINC001164733403 720524301 /nfs/dbraw/zinc/52/43/01/720524301.db2.gz JIXGKALJVFDZIZ-SFHVURJKSA-N 1 0 490.702 4.867 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)C1 ZINC001164732899 720524710 /nfs/dbraw/zinc/52/47/10/720524710.db2.gz HDUMTEJQDHVEOR-LJQANCHMSA-N 1 0 481.629 4.815 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164838439 720537780 /nfs/dbraw/zinc/53/77/80/720537780.db2.gz NWAGFLIOJBYTLR-GSDHBNRESA-N 1 0 479.632 4.780 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164734894 720543803 /nfs/dbraw/zinc/54/38/03/720543803.db2.gz LBBWNBOKYNNWJQ-AWEZNQCLSA-N 1 0 459.368 4.998 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164734696 720545312 /nfs/dbraw/zinc/54/53/12/720545312.db2.gz KOEGVJOQGMLSLV-CQSZACIVSA-N 1 0 459.368 4.998 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)n1 ZINC001164736441 720546075 /nfs/dbraw/zinc/54/60/75/720546075.db2.gz YGKDZQLBHWUUIY-IBGZPJMESA-N 1 0 459.704 4.666 20 0 JJADRO CC(C)(C)N(c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164733506 720546420 /nfs/dbraw/zinc/54/64/20/720546420.db2.gz CNNIKTXRSIMZNR-LJQANCHMSA-N 1 0 483.726 4.682 20 0 JJADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)CC2 ZINC001164730448 720562502 /nfs/dbraw/zinc/56/25/02/720562502.db2.gz VUECKOPRYNTSJS-UHFFFAOYSA-N 1 0 450.590 4.666 20 0 JJADRO Clc1ccc(-c2csc3ncnc(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)c23)cc1 ZINC001164736294 720580897 /nfs/dbraw/zinc/58/08/97/720580897.db2.gz HEZREXBLHDELCQ-UHFFFAOYSA-N 1 0 465.026 4.867 20 0 JJADRO Cc1ccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c(Cl)nn2)cc1 ZINC001164738696 720595608 /nfs/dbraw/zinc/59/56/08/720595608.db2.gz CQPSJLFOGVMKSL-UHFFFAOYSA-N 1 0 472.971 4.505 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@@H]21 ZINC001164839212 720604608 /nfs/dbraw/zinc/60/46/08/720604608.db2.gz MFIBBNQCZLSFJU-GIWBLDEGSA-N 1 0 499.688 4.816 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccsc4)nc4ccccc43)CC[C@@H]21 ZINC001164839760 720606451 /nfs/dbraw/zinc/60/64/51/720606451.db2.gz OLZPEDDAERCCLI-DPLHUUCSSA-N 1 0 458.635 4.933 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838316 720629547 /nfs/dbraw/zinc/62/95/47/720629547.db2.gz KTLYANVWOBVAGG-IEIRFRATSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3F)CC[C@@H]21 ZINC001164839250 720640690 /nfs/dbraw/zinc/64/06/90/720640690.db2.gz MWGXDSXJKYLXOD-BJLQDIEVSA-N 1 0 470.980 4.636 20 0 JJADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164841967 720642287 /nfs/dbraw/zinc/64/22/87/720642287.db2.gz RGRSTOHZTQGOKY-WOIUINJBSA-N 1 0 483.016 4.505 20 0 JJADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838120 720646251 /nfs/dbraw/zinc/64/62/51/720646251.db2.gz FGNROVZMEYIOBC-XUVXKRRUSA-N 1 0 483.016 4.505 20 0 JJADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838834 720651762 /nfs/dbraw/zinc/65/17/62/720651762.db2.gz HRMDSADDELZYQM-WAOWUJCRSA-N 1 0 457.981 4.610 20 0 JJADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838821 720652809 /nfs/dbraw/zinc/65/28/09/720652809.db2.gz HRMDSADDELZYQM-DBXWQHBBSA-N 1 0 457.981 4.610 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CC2 ZINC001164843741 720670908 /nfs/dbraw/zinc/67/09/08/720670908.db2.gz XIUJJFHBGCIHPO-HXUWFJFHSA-N 1 0 492.014 4.535 20 0 JJADRO CCOC(=O)c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc2ccccc21 ZINC001164844916 720689829 /nfs/dbraw/zinc/68/98/29/720689829.db2.gz WHUDDYYFBJIIHT-JOCHJYFZSA-N 1 0 459.590 4.671 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164840416 720694842 /nfs/dbraw/zinc/69/48/42/720694842.db2.gz DMVIOVYAAMNVTN-VWLOTQADSA-N 1 0 485.607 4.879 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164845304 720699282 /nfs/dbraw/zinc/69/92/82/720699282.db2.gz XZDOTXICNIEHAO-FQEVSTJZSA-N 1 0 483.975 4.716 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)CC2 ZINC001164840886 720708411 /nfs/dbraw/zinc/70/84/11/720708411.db2.gz RLASGWUXLRKFEG-FQEVSTJZSA-N 1 0 492.624 4.565 20 0 JJADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164840944 720708423 /nfs/dbraw/zinc/70/84/23/720708423.db2.gz STKXQYRJJBACRM-OAQYLSRUSA-N 1 0 495.023 4.720 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164839563 720708446 /nfs/dbraw/zinc/70/84/46/720708446.db2.gz LUCLJDAITPTYSJ-QFIPXVFZSA-N 1 0 452.599 4.689 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)CC2 ZINC001164836448 720709355 /nfs/dbraw/zinc/70/93/55/720709355.db2.gz AQVVDMUOJPRGGY-OAQYLSRUSA-N 1 0 499.993 4.997 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CC2 ZINC001164838396 720723655 /nfs/dbraw/zinc/72/36/55/720723655.db2.gz IXWMSWCAUSYGJM-LJQANCHMSA-N 1 0 489.954 4.590 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164842318 720725119 /nfs/dbraw/zinc/72/51/19/720725119.db2.gz YGFFJOYCSCNDEX-NRFANRHFSA-N 1 0 472.029 4.950 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164843943 720740057 /nfs/dbraw/zinc/74/00/57/720740057.db2.gz MUQQXXGREKMHNQ-UHFFFAOYSA-N 1 0 458.944 4.591 20 0 JJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842428 720742465 /nfs/dbraw/zinc/74/24/65/720742465.db2.gz DTMFCJCYJSKBNY-UHFFFAOYSA-N 1 0 480.950 4.791 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844972 720743637 /nfs/dbraw/zinc/74/36/37/720743637.db2.gz WNIRNWRZKBTWPO-UHFFFAOYSA-N 1 0 496.949 4.897 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)nc1 ZINC001164844008 720747025 /nfs/dbraw/zinc/74/70/25/720747025.db2.gz NSBWBWOURHRFOW-QHCPKHFHSA-N 1 0 475.662 4.620 20 0 JJADRO Clc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1Cl ZINC001164741738 720783055 /nfs/dbraw/zinc/78/30/55/720783055.db2.gz MWPVRWITQKHGKF-QZTJIDSGSA-N 1 0 493.398 4.736 20 0 JJADRO COC[C@@]12CCCO[C@H]1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164846022 720827070 /nfs/dbraw/zinc/82/70/70/720827070.db2.gz COUCEAPTAYEJRE-IGKIAQTJSA-N 1 0 498.067 4.778 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164742458 720834618 /nfs/dbraw/zinc/83/46/18/720834618.db2.gz GNJUHEUZKAERAA-VHFRWLAGSA-N 1 0 497.622 4.715 20 0 JJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742478 720845216 /nfs/dbraw/zinc/84/52/16/720845216.db2.gz GQJUUSSFIWCYPU-JKIFEVAISA-N 1 0 491.801 4.558 20 0 JJADRO COc1ccc2c(c1)nc(N1CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)cc2-c1ccccc1 ZINC001164740519 720847831 /nfs/dbraw/zinc/84/78/31/720847831.db2.gz CFJSUEBFZFXEPT-CTVOUCONSA-N 1 0 494.643 4.881 20 0 JJADRO CSc1nc2sccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754842 720874116 /nfs/dbraw/zinc/87/41/16/720874116.db2.gz TXHHRKBHZXESMF-NLFFAJNJSA-N 1 0 481.691 4.563 20 0 JJADRO CSc1cc(Cl)ncc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757506 720885097 /nfs/dbraw/zinc/88/50/97/720885097.db2.gz VIWLVPNFLKMKCD-YKSBVNFPSA-N 1 0 459.059 4.607 20 0 JJADRO Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCCCC2 ZINC001164752518 720887461 /nfs/dbraw/zinc/88/74/61/720887461.db2.gz DVYLKYPPRROLML-WXVAWEFUSA-N 1 0 482.072 4.549 20 0 JJADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754478 720891147 /nfs/dbraw/zinc/89/11/47/720891147.db2.gz JAPSTBIKVZTPTN-AJTFRIOCSA-N 1 0 478.040 4.742 20 0 JJADRO CSc1nc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755420 720893823 /nfs/dbraw/zinc/89/38/23/720893823.db2.gz MADBKXIFEYAJRS-AMGIVPHBSA-N 1 0 475.662 4.502 20 0 JJADRO CSc1ccnc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757817 720896586 /nfs/dbraw/zinc/89/65/86/720896586.db2.gz VSVHVPASZHKSSM-RDPSFJRHSA-N 1 0 459.059 4.607 20 0 JJADRO COc1ccc2c(C)cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164757862 720896629 /nfs/dbraw/zinc/89/66/29/720896629.db2.gz VXSYVWXJFSFVSD-PWUYWRBVSA-N 1 0 472.633 4.702 20 0 JJADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752556 720896788 /nfs/dbraw/zinc/89/67/88/720896788.db2.gz FDARFBKCNOQUPD-ZJSXRUAMSA-N 1 0 476.999 4.738 20 0 JJADRO c1ccc(COc2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164753878 720899243 /nfs/dbraw/zinc/89/92/43/720899243.db2.gz HOTQATZODNNQST-BHBYDHKZSA-N 1 0 484.644 4.811 20 0 JJADRO c1ccc(COc2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164753887 720899919 /nfs/dbraw/zinc/89/99/19/720899919.db2.gz HOTQATZODNNQST-POURPWNDSA-N 1 0 484.644 4.811 20 0 JJADRO CC(C)(C)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755424 720903644 /nfs/dbraw/zinc/90/36/44/720903644.db2.gz MATNVNZNQGWEPT-LVXARBLLSA-N 1 0 470.061 4.578 20 0 JJADRO Cc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164746518 720909413 /nfs/dbraw/zinc/90/94/13/720909413.db2.gz BGZAYQOTFREOFB-LITSAYRRSA-N 1 0 469.633 4.602 20 0 JJADRO Fc1cc2ncc(Cl)nc2cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747974 720919299 /nfs/dbraw/zinc/91/92/99/720919299.db2.gz FADJMVVVHUDXKT-IBVKSMDESA-N 1 0 482.003 4.572 20 0 JJADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2cccs2)n1 ZINC001164748564 720920110 /nfs/dbraw/zinc/92/01/10/720920110.db2.gz GYCRJHMCLHUHRV-YIXXDRMTSA-N 1 0 475.662 4.664 20 0 JJADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccsc2)n1 ZINC001164750157 720921864 /nfs/dbraw/zinc/92/18/64/720921864.db2.gz JMWZPVBJDLIBAN-RPLLCQBOSA-N 1 0 475.662 4.664 20 0 JJADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752893 720931273 /nfs/dbraw/zinc/93/12/73/720931273.db2.gz PIGPRRHVHWCZTK-HOFKKMOUSA-N 1 0 484.088 4.787 20 0 JJADRO CC(C)(c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754658 720938021 /nfs/dbraw/zinc/93/80/21/720938021.db2.gz WUDLPVWAPZLKEX-ZEQKJWHPSA-N 1 0 455.046 4.616 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)[C@@H]2C ZINC001164858611 720938681 /nfs/dbraw/zinc/93/86/81/720938681.db2.gz JPPBDMPQILSPBK-CYBMUJFWSA-N 1 0 452.912 4.585 20 0 JJADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749960 720940717 /nfs/dbraw/zinc/94/07/17/720940717.db2.gz IOJJOSJCTNTSEP-QHLUZPDOSA-N 1 0 474.653 4.622 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)[C@@H]2C ZINC001164860005 720955315 /nfs/dbraw/zinc/95/53/15/720955315.db2.gz OZHQRBTWTCCWNY-HXUWFJFHSA-N 1 0 453.594 4.824 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)[C@@H]2C ZINC001164860577 720978329 /nfs/dbraw/zinc/97/83/29/720978329.db2.gz OUXBVXIPSQZMQH-MRXNPFEDSA-N 1 0 460.960 4.960 20 0 JJADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164857996 721001815 /nfs/dbraw/zinc/00/18/15/721001815.db2.gz GAFUBOAGJIBPOP-INIZCTEOSA-N 1 0 455.990 4.683 20 0 JJADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164857155 721002734 /nfs/dbraw/zinc/00/27/34/721002734.db2.gz CNCAYEOCAGGRBL-OAQYLSRUSA-N 1 0 457.626 4.714 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)[C@@H]2C ZINC001164860336 721011081 /nfs/dbraw/zinc/01/10/81/721011081.db2.gz LJTPFZAJPJQVMV-MRXNPFEDSA-N 1 0 460.960 4.960 20 0 JJADRO COc1ccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001164864886 721021023 /nfs/dbraw/zinc/02/10/23/721021023.db2.gz ZXSSCGJKQUOZGA-INIZCTEOSA-N 1 0 456.978 4.549 20 0 JJADRO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1 ZINC001164764536 721042070 /nfs/dbraw/zinc/04/20/70/721042070.db2.gz MOTUMUFTBKZSKJ-UHFFFAOYSA-N 1 0 458.606 4.998 20 0 JJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)nc5c(Cl)ncnc54)CC3)CC2)cc1 ZINC001164760629 721046825 /nfs/dbraw/zinc/04/68/25/721046825.db2.gz YTFCAZFWTZIXIE-UHFFFAOYSA-N 1 0 457.409 4.918 20 0 JJADRO Cc1ccc(C[NH+]2CCC3(CCN(C(F)(F)c4cnc(Cl)c(S(C)(=O)=O)c4)CC3)CC2)cc1 ZINC001164759988 721047204 /nfs/dbraw/zinc/04/72/04/721047204.db2.gz SPXJGLWFDUFAJB-UHFFFAOYSA-N 1 0 498.039 4.874 20 0 JJADRO CCn1nnc2c1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)[C@@H]2COCc1ccccc1 ZINC001164774594 721048202 /nfs/dbraw/zinc/04/82/02/721048202.db2.gz XACFQMWYGQTBKF-MUUNZHRXSA-N 1 0 494.643 4.572 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@@H]3C2)cn1 ZINC001164769470 721098063 /nfs/dbraw/zinc/09/80/63/721098063.db2.gz ORECQLRQYWQGEV-RTWAWAEBSA-N 1 0 457.956 4.639 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164767425 721101845 /nfs/dbraw/zinc/10/18/45/721101845.db2.gz LSCFQPVYOZCCCR-RBUKOAKNSA-N 1 0 476.987 4.781 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164772761 721123435 /nfs/dbraw/zinc/12/34/35/721123435.db2.gz WKWZUMQPBILBBD-RPBOFIJWSA-N 1 0 450.590 4.502 20 0 JJADRO Clc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164872103 721139806 /nfs/dbraw/zinc/13/98/06/721139806.db2.gz GQODPWVYGUAITD-NHCUHLMSSA-N 1 0 478.021 4.886 20 0 JJADRO Clc1ccc(-c2cc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c3s2)cc1 ZINC001164878427 721143178 /nfs/dbraw/zinc/14/31/78/721143178.db2.gz QCLLJDPUEDWNMH-LEWJYISDSA-N 1 0 478.021 4.886 20 0 JJADRO Clc1cccc(-c2nc3c(c(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164870320 721166467 /nfs/dbraw/zinc/16/64/67/721166467.db2.gz CNFHURPKLZXYDP-GOTSBHOMSA-N 1 0 476.024 4.551 20 0 JJADRO Fc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164879921 721169108 /nfs/dbraw/zinc/16/91/08/721169108.db2.gz VJWBITNNGUARRD-YADHBBJMSA-N 1 0 488.941 4.961 20 0 JJADRO Fc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164871079 721170200 /nfs/dbraw/zinc/17/02/00/721170200.db2.gz DIBUTTQHHTVRBF-VXKWHMMOSA-N 1 0 488.941 4.961 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164767654 721171526 /nfs/dbraw/zinc/17/15/26/721171526.db2.gz KHMGGSPMTIGESS-RBUKOAKNSA-N 1 0 465.026 4.704 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164764988 721195514 /nfs/dbraw/zinc/19/55/14/721195514.db2.gz HJYXHVHCABCTJV-RTWAWAEBSA-N 1 0 458.997 4.642 20 0 JJADRO Cc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769456 721223402 /nfs/dbraw/zinc/22/34/02/721223402.db2.gz MNOZWMXFDNPGPP-KAYWLYCHSA-N 1 0 464.617 4.811 20 0 JJADRO Fc1ccc(-c2ncnc3c2CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)cc1 ZINC001164775483 721315424 /nfs/dbraw/zinc/31/54/24/721315424.db2.gz FNVMUIOGFAEKOC-UHFFFAOYSA-N 1 0 465.576 4.841 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cc(C)ccc43)C2)C1 ZINC001164786065 721360393 /nfs/dbraw/zinc/36/03/93/721360393.db2.gz VOCAAAAZAVHJPB-RUZDIDTESA-N 1 0 455.002 4.920 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893735 721425305 /nfs/dbraw/zinc/42/53/05/721425305.db2.gz KDWFFYNPHVSOCJ-IBVKSMDESA-N 1 0 498.096 4.777 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893737 721425441 /nfs/dbraw/zinc/42/54/41/721425441.db2.gz KDWFFYNPHVSOCJ-RXFWQSSRSA-N 1 0 498.096 4.777 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898365 721433401 /nfs/dbraw/zinc/43/34/01/721433401.db2.gz VUHVOYDOSRINJE-QDPGVEIFSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898361 721433421 /nfs/dbraw/zinc/43/34/21/721433421.db2.gz VUHVOYDOSRINJE-NEKDWFFYSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C3)O2)CC1 ZINC001164896845 721433918 /nfs/dbraw/zinc/43/39/18/721433918.db2.gz SFYZLHSYWGXBAA-LVXARBLLSA-N 1 0 498.096 4.777 20 0 JJADRO COc1ccc2c(c1)nc(N1CC[C@]3(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O3)cc2-c1ccccc1 ZINC001164898352 721434739 /nfs/dbraw/zinc/43/47/39/721434739.db2.gz VTJKIZXKHANZFB-QCDSWUKFSA-N 1 0 486.660 4.676 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164890730 721441596 /nfs/dbraw/zinc/44/15/96/721441596.db2.gz DPYQSYAUDKNMDC-OFSOJUDTSA-N 1 0 483.660 4.576 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164898712 721444250 /nfs/dbraw/zinc/44/42/50/721444250.db2.gz WPFDZLONRIQFBS-POURPWNDSA-N 1 0 499.659 4.701 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164892312 721444278 /nfs/dbraw/zinc/44/42/78/721444278.db2.gz ICXLXXBFDVFPSR-BHBYDHKZSA-N 1 0 489.708 4.957 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164786020 721451950 /nfs/dbraw/zinc/45/19/50/721451950.db2.gz MFRVZMYHTFPASX-QGZVFWFLSA-N 1 0 478.411 4.667 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3sccc31)CC2 ZINC001164784283 721456062 /nfs/dbraw/zinc/45/60/62/721456062.db2.gz DRNHANYNFTZGLO-SFHVURJKSA-N 1 0 450.048 4.684 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164787784 721460238 /nfs/dbraw/zinc/46/02/38/721460238.db2.gz SGLMQSUEPULPIK-INIZCTEOSA-N 1 0 462.849 4.776 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(SC)c(Cl)n1)CC2 ZINC001164784467 721461874 /nfs/dbraw/zinc/46/18/74/721461874.db2.gz IIGOZOAPKMMPDA-GOSISDBHSA-N 1 0 490.060 4.736 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164887952 721462146 /nfs/dbraw/zinc/46/21/46/721462146.db2.gz LBNMKAJFMWEOEL-ZEQKJWHPSA-N 1 0 467.683 4.803 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(OC)ccc31)CC2 ZINC001164783716 721463212 /nfs/dbraw/zinc/46/32/12/721463212.db2.gz GABRPCJAJKZGJL-OAQYLSRUSA-N 1 0 474.045 4.631 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164791254 721473866 /nfs/dbraw/zinc/47/38/66/721473866.db2.gz WCWVTUZOAYPBJG-GOSISDBHSA-N 1 0 479.452 4.671 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](NC(=O)NC)c4cc(C)ccc43)CC2)nc1 ZINC001164900938 721493023 /nfs/dbraw/zinc/49/30/23/721493023.db2.gz SPWSRZSYPKUZSK-JWQCQUIFSA-N 1 0 461.654 4.849 20 0 JJADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@@H+]3C2)c1 ZINC001164911934 721547768 /nfs/dbraw/zinc/54/77/68/721547768.db2.gz XORSCQCUODHQEA-AOYPEHQESA-N 1 0 475.564 4.665 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(OCc3ccccc3)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164801167 721572393 /nfs/dbraw/zinc/57/23/93/721572393.db2.gz GJQBIIOKPPQPMG-ISJGIBHGSA-N 1 0 464.997 4.577 20 0 JJADRO Cc1sc2nc(CN3CCCC3)nc(-n3nc(-c4ccc(F)cc4)c4c3CC[NH2+]CC4)c2c1C ZINC001164796942 721597388 /nfs/dbraw/zinc/59/73/88/721597388.db2.gz FCCATBLWGNQFJK-UHFFFAOYSA-N 1 0 476.625 4.584 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)nc1 ZINC001164802029 721604182 /nfs/dbraw/zinc/60/41/82/721604182.db2.gz RSNCQIKXUNOGKO-NOZRDPDXSA-N 1 0 450.627 4.726 20 0 JJADRO FC1(F)CCN(c2cc(-c3ccnc(Cl)c3)ccn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907490 721694755 /nfs/dbraw/zinc/69/47/55/721694755.db2.gz UKMIDLXVMSDGNG-QHCPKHFHSA-N 1 0 455.940 4.930 20 0 JJADRO FC1(F)CCN(c2nccc(-c3c[nH]c4ccccc34)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906662 721702531 /nfs/dbraw/zinc/70/25/31/721702531.db2.gz OEHCOQOPSYPMCR-VWLOTQADSA-N 1 0 460.532 4.758 20 0 JJADRO C[C@@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@]5(CC[N@H+](Cc6ccccn6)C5)C4)c23)C1 ZINC001164905371 721702837 /nfs/dbraw/zinc/70/28/37/721702837.db2.gz ISUPSGDASOPVLH-OSPHWJPCSA-N 1 0 469.605 4.949 20 0 JJADRO FC1(F)CCN(c2nc3ccccc3nc2N2CCCCC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904886 721721478 /nfs/dbraw/zinc/72/14/78/721721478.db2.gz FEGQMBKPMWHZEX-SANMLTNESA-N 1 0 478.591 4.753 20 0 JJADRO COC(=O)c1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164904247 721721633 /nfs/dbraw/zinc/72/16/33/721721633.db2.gz AUWXUEUYWZMUQX-MHZLTWQESA-N 1 0 492.570 4.976 20 0 JJADRO FC1(F)CCN(c2nc(-c3ccccn3)nc3ccccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904284 721724837 /nfs/dbraw/zinc/72/48/37/721724837.db2.gz BFTLIAOSJJWYLP-SANMLTNESA-N 1 0 472.543 4.825 20 0 JJADRO COc1ccc(Cc2c(C)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164910769 721733833 /nfs/dbraw/zinc/73/38/33/721733833.db2.gz HRZYFEGVLACLGC-MHZLTWQESA-N 1 0 493.602 4.826 20 0 JJADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164911786 721735911 /nfs/dbraw/zinc/73/59/11/721735911.db2.gz KJDUGVMXDBTXFX-XMMPIXPASA-N 1 0 453.512 4.724 20 0 JJADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001165011042 721743900 /nfs/dbraw/zinc/74/39/00/721743900.db2.gz SZGIKTVHOCHWFO-UHFFFAOYSA-N 1 0 470.042 4.535 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1C ZINC001165009230 721745007 /nfs/dbraw/zinc/74/50/07/721745007.db2.gz AJEGWTVNEMFGEZ-UHFFFAOYSA-N 1 0 469.680 4.560 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@H]21 ZINC001165017815 721804304 /nfs/dbraw/zinc/80/43/04/721804304.db2.gz ATBCJQUXQBKMSV-SAWYMBPVSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@@H]21 ZINC001165018820 721805512 /nfs/dbraw/zinc/80/55/12/721805512.db2.gz CKBXYFVIUIHVAN-XWFZLUIHSA-N 1 0 457.956 4.960 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1Cl ZINC001165019654 721806151 /nfs/dbraw/zinc/80/61/51/721806151.db2.gz DQKJHWTZLIKQEF-KFKAGJAMSA-N 1 0 463.409 4.697 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@@H]21 ZINC001165024545 721808349 /nfs/dbraw/zinc/80/83/49/721808349.db2.gz LUVBEFCGACJCKG-XUEUYAKLSA-N 1 0 457.956 4.960 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)nc1 ZINC001164915495 721811360 /nfs/dbraw/zinc/81/13/60/721811360.db2.gz BDPBZWMYDIQSEI-IYXIZZNPSA-N 1 0 456.656 4.676 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@@H]21 ZINC001165027179 721816735 /nfs/dbraw/zinc/81/67/35/721816735.db2.gz SVGWXPDAIBFNIG-JRGCBEDISA-N 1 0 457.018 4.822 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@H]21 ZINC001165022710 721817034 /nfs/dbraw/zinc/81/70/34/721817034.db2.gz GVRJTDGRGMYRQR-HGHGUNKESA-N 1 0 457.956 4.960 20 0 JJADRO COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2C)cc1 ZINC001165030539 721822115 /nfs/dbraw/zinc/82/21/15/721822115.db2.gz ZRNMBAMAHNARFF-RNJDCESWSA-N 1 0 470.617 4.976 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)C[C@@H]21 ZINC001165027783 721823805 /nfs/dbraw/zinc/82/38/05/721823805.db2.gz UCKWUHLCYOMPOL-AMZDPNTKSA-N 1 0 450.590 4.824 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)C[C@@H]21 ZINC001165027788 721823904 /nfs/dbraw/zinc/82/39/04/721823904.db2.gz UCKWUHLCYOMPOL-UVWWXKGLSA-N 1 0 450.590 4.824 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)C[C@H]21 ZINC001165029065 721824715 /nfs/dbraw/zinc/82/47/15/721824715.db2.gz WURDTMLGZGSHNG-KSEOMHKRSA-N 1 0 456.619 4.885 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@@H]21 ZINC001165026733 721825430 /nfs/dbraw/zinc/82/54/30/721825430.db2.gz PWLWYZKOQDORAS-NBHGPNQESA-N 1 0 457.956 4.960 20 0 JJADRO COc1ccc2nc(C(F)(F)N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc(Cl)c2c1 ZINC001165026756 721825867 /nfs/dbraw/zinc/82/58/67/721825867.db2.gz QAUCNCRGQLDMRH-BUKVSMQUSA-N 1 0 487.982 4.969 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)C[C@@H]21 ZINC001165019826 721826004 /nfs/dbraw/zinc/82/60/04/721826004.db2.gz CGDJNRRBXWUJSK-AYRHNUGRSA-N 1 0 456.590 4.571 20 0 JJADRO CCOc1ccc(-c2ccc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nn2)cc1 ZINC001165023428 721844208 /nfs/dbraw/zinc/84/42/08/721844208.db2.gz ZVOXZQPQQROXGJ-UHFFFAOYSA-N 1 0 462.594 4.660 20 0 JJADRO COc1cc(Oc2ccnc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c2)ccc1OCc1ccccc1 ZINC001164925964 721874504 /nfs/dbraw/zinc/87/45/04/721874504.db2.gz PHVZCFDGWSSWRJ-FTJBHMTQSA-N 1 0 488.632 4.676 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930964 721880137 /nfs/dbraw/zinc/88/01/37/721880137.db2.gz DPOONVBQEKRUJL-DHIUTWEWSA-N 1 0 470.646 4.635 20 0 JJADRO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1-c1ccccc1 ZINC001164934668 721880175 /nfs/dbraw/zinc/88/01/75/721880175.db2.gz SVZOLCMGDNUVAD-PKTZIBPZSA-N 1 0 484.673 4.943 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932634 721880285 /nfs/dbraw/zinc/88/02/85/721880285.db2.gz JUQDQFSEHZHSPV-LEWJYISDSA-N 1 0 496.750 4.620 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934425 721884382 /nfs/dbraw/zinc/88/43/82/721884382.db2.gz RPEBISLUDVGJGW-FCHUYYIVSA-N 1 0 456.421 4.818 20 0 JJADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164931142 721890195 /nfs/dbraw/zinc/89/01/95/721890195.db2.gz DBYBLFPKFVNCOB-MOPGFXCFSA-N 1 0 489.920 4.575 20 0 JJADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[NH+](C[C@@H]5CCCO5)CC4)c23)c1 ZINC001165039247 721918228 /nfs/dbraw/zinc/91/82/28/721918228.db2.gz RYWPIXWMDNSOPE-IBGZPJMESA-N 1 0 483.707 4.707 20 0 JJADRO c1sc2nc(-c3cccnc3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC000015130031 721918639 /nfs/dbraw/zinc/91/86/39/721918639.db2.gz SCDCEBOUAAMZSU-NRFANRHFSA-N 1 0 457.603 4.721 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)CC3)C2)cc1 ZINC001164939304 721923918 /nfs/dbraw/zinc/92/39/18/721923918.db2.gz HKQPDMZLKUBWSV-UHFFFAOYSA-N 1 0 457.352 4.508 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4ccn5C(C)C)CC3)C2)cc1 ZINC001164938600 721930002 /nfs/dbraw/zinc/93/00/02/721930002.db2.gz AHEPNWIPBGNCPX-UHFFFAOYSA-N 1 0 454.018 4.845 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)nc(-c5ccc(Cl)nc5)n4)CC3)C2)cc1 ZINC001164938628 721932734 /nfs/dbraw/zinc/93/27/34/721932734.db2.gz BWAXKFZDLYKFLE-UHFFFAOYSA-N 1 0 464.013 4.680 20 0 JJADRO COC(=O)CCN(c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O)C1CCCC1 ZINC001165051100 721988766 /nfs/dbraw/zinc/98/87/66/721988766.db2.gz NWLQMYUSCKDXPZ-UHFFFAOYSA-N 1 0 498.023 4.709 20 0 JJADRO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164954373 722004036 /nfs/dbraw/zinc/00/40/36/722004036.db2.gz WVDUHVHOBWLPQE-DQEYMECFSA-N 1 0 461.613 4.817 20 0 JJADRO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21 ZINC001164953992 722005938 /nfs/dbraw/zinc/00/59/38/722005938.db2.gz UKGGLUZOQDDCLC-GHTZIAJQSA-N 1 0 481.978 4.833 20 0 JJADRO Fc1ccc(Cn2ccc3c2ncnc3N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164952170 722018769 /nfs/dbraw/zinc/01/87/69/722018769.db2.gz IMUHMWAZLKFRMW-UHFFFAOYSA-N 1 0 456.569 4.506 20 0 JJADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955861 722020832 /nfs/dbraw/zinc/02/08/32/722020832.db2.gz PUBRXZWUHFYTEA-UHFFFAOYSA-N 1 0 459.928 4.595 20 0 JJADRO c1csc(-c2noc(-c3ccnc(N4CCC5(CC[N@@H+](Cc6cccnc6)C5)CC4)c3)n2)c1 ZINC001164957166 722023234 /nfs/dbraw/zinc/02/32/34/722023234.db2.gz AEJJDZDHKHOPKD-UHFFFAOYSA-N 1 0 458.591 4.748 20 0 JJADRO COc1ccc(Cc2c(C)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2C)cc1 ZINC001164963978 722024071 /nfs/dbraw/zinc/02/40/71/722024071.db2.gz UXBLCWSVTFZULB-UHFFFAOYSA-N 1 0 457.622 4.580 20 0 JJADRO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959057 722026388 /nfs/dbraw/zinc/02/63/88/722026388.db2.gz HQFXISUUOSVPDQ-SMCANUKXSA-N 1 0 498.671 4.936 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)nc1 ZINC001164959023 722027355 /nfs/dbraw/zinc/02/73/55/722027355.db2.gz HMTSRXKHNWOICB-STROYTFGSA-N 1 0 464.654 4.924 20 0 JJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964016 722055087 /nfs/dbraw/zinc/05/50/87/722055087.db2.gz QWLZMEHVNXJOGT-UHFFFAOYSA-N 1 0 472.967 4.947 20 0 JJADRO c1ccc(-c2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc3ccccc32)cc1 ZINC001164962529 722055671 /nfs/dbraw/zinc/05/56/71/722055671.db2.gz FGQQLKDJOSVRIW-UHFFFAOYSA-N 1 0 465.601 4.811 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(COCc4cncc(C)c4)cnc3[C@@H]2C)nc1 ZINC001164965030 722063509 /nfs/dbraw/zinc/06/35/09/722063509.db2.gz IDFHEYPJQSAJIF-SQJMNOBHSA-N 1 0 460.626 4.826 20 0 JJADRO c1csc(-c2csc3ncnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)c1 ZINC001164979099 722107869 /nfs/dbraw/zinc/10/78/69/722107869.db2.gz HBYAMRQMWIUATM-AZUAARDMSA-N 1 0 463.632 4.542 20 0 JJADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985812 722107896 /nfs/dbraw/zinc/10/78/96/722107896.db2.gz WYSXCJSIYBEZLO-IBVKSMDESA-N 1 0 487.554 4.697 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164982863 722108292 /nfs/dbraw/zinc/10/82/92/722108292.db2.gz PNKVMCYRRVTBTD-WXVAWEFUSA-N 1 0 499.590 4.567 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164982861 722108312 /nfs/dbraw/zinc/10/83/12/722108312.db2.gz PNKVMCYRRVTBTD-AMGIVPHBSA-N 1 0 499.590 4.567 20 0 JJADRO c1ccc(-c2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975720 722114542 /nfs/dbraw/zinc/11/45/42/722114542.db2.gz KLRYTBCMXMJADN-SXOMAYOGSA-N 1 0 477.612 4.933 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980453 722125529 /nfs/dbraw/zinc/12/55/29/722125529.db2.gz REWDLKSZGNYJJL-WXVAWEFUSA-N 1 0 483.591 4.867 20 0 JJADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984229 722133156 /nfs/dbraw/zinc/13/31/56/722133156.db2.gz WOSZHYHGVHAJTD-PGRDOPGGSA-N 1 0 458.940 4.555 20 0 JJADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984230 722133182 /nfs/dbraw/zinc/13/31/82/722133182.db2.gz WOSZHYHGVHAJTD-XMSQKQJNSA-N 1 0 458.940 4.555 20 0 JJADRO Cc1sc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164983320 722141196 /nfs/dbraw/zinc/14/11/96/722141196.db2.gz UCNXKVHZNLULPX-GOTSBHOMSA-N 1 0 471.630 4.789 20 0 JJADRO Fc1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164980265 722141369 /nfs/dbraw/zinc/14/13/69/722141369.db2.gz MITYTUGLKATBKA-BKMJKUGQSA-N 1 0 469.564 4.558 20 0 JJADRO Cc1sc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164983321 722141724 /nfs/dbraw/zinc/14/17/24/722141724.db2.gz UCNXKVHZNLULPX-PKTZIBPZSA-N 1 0 471.630 4.789 20 0 JJADRO Fc1ccc(-c2nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164982792 722141970 /nfs/dbraw/zinc/14/19/70/722141970.db2.gz SRWHFFAWBRVICC-BKMJKUGQSA-N 1 0 469.564 4.558 20 0 JJADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976261 722153705 /nfs/dbraw/zinc/15/37/05/722153705.db2.gz WJWJSARZHBIQEH-UWJYYQICSA-N 1 0 458.940 4.597 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)CCC2 ZINC001165002851 722254427 /nfs/dbraw/zinc/25/44/27/722254427.db2.gz UMGTVQUSJQZZDC-UHFFFAOYSA-N 1 0 491.970 4.512 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3ccc(Cl)cc3c(-c3ccccc3)n1)CCC2 ZINC001165004376 722256462 /nfs/dbraw/zinc/25/64/62/722256462.db2.gz QOPXWFVVURWLPY-UHFFFAOYSA-N 1 0 477.012 4.635 20 0 JJADRO CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359714128 1064262366 /nfs/dbraw/zinc/26/23/66/1064262366.db2.gz LJEXKLNXJUIJAY-HSZRJFAPSA-N 1 0 480.701 4.541 20 0 JJADRO CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359714129 1064262387 /nfs/dbraw/zinc/26/23/87/1064262387.db2.gz LJEXKLNXJUIJAY-QHCPKHFHSA-N 1 0 480.701 4.541 20 0 JJADRO CC(C)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359715523 1064263848 /nfs/dbraw/zinc/26/38/48/1064263848.db2.gz CUMUSNSNHPEMCI-FQEVSTJZSA-N 1 0 460.617 4.661 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001545857217 1064265884 /nfs/dbraw/zinc/26/58/84/1064265884.db2.gz RKMJDFSVMHPBDY-UHFFFAOYSA-N 1 0 484.689 4.500 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359719121 1064266604 /nfs/dbraw/zinc/26/66/04/1064266604.db2.gz CTSNODSJBNIEEJ-HKBOAZHASA-N 1 0 465.564 4.551 20 0 JJADRO CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1ccnc(C(F)(F)F)c1 ZINC001359719645 1064267298 /nfs/dbraw/zinc/26/72/98/1064267298.db2.gz RUGSMJVAQOBRHV-GOSISDBHSA-N 1 0 458.532 4.574 20 0 JJADRO CC(C)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359724715 1064272402 /nfs/dbraw/zinc/27/24/02/1064272402.db2.gz SQZUYVPRLDWITN-YADHBBJMSA-N 1 0 453.656 4.604 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001545865394 1064273220 /nfs/dbraw/zinc/27/32/20/1064273220.db2.gz AAGJNFJEYRQUGW-UHFFFAOYSA-N 1 0 494.728 4.939 20 0 JJADRO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001359727036 1064273472 /nfs/dbraw/zinc/27/34/72/1064273472.db2.gz GNIUNSIILRSMNT-QHCPKHFHSA-N 1 0 482.673 4.539 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001545865485 1064273634 /nfs/dbraw/zinc/27/36/34/1064273634.db2.gz CUDJJKNQTCBBDB-UHFFFAOYSA-N 1 0 494.728 4.937 20 0 JJADRO CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359727344 1064274091 /nfs/dbraw/zinc/27/40/91/1064274091.db2.gz QJOLHPNXYKWOMF-FSSWDIPSSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001359728837 1064277202 /nfs/dbraw/zinc/27/72/02/1064277202.db2.gz MHCSQUZOWDWNGP-JOCHJYFZSA-N 1 0 489.668 4.686 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001359729256 1064279046 /nfs/dbraw/zinc/27/90/46/1064279046.db2.gz VXFXHMIEHUVWBO-JOCHJYFZSA-N 1 0 489.108 4.853 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2CC)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001545868454 1064279930 /nfs/dbraw/zinc/27/99/30/1064279930.db2.gz QQFVGLUFRAZPQV-CVDCTZTESA-N 1 0 486.730 4.795 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001545870229 1064282856 /nfs/dbraw/zinc/28/28/56/1064282856.db2.gz JHETYALOQGEZKX-FCHUYYIVSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001545870697 1064285058 /nfs/dbraw/zinc/28/50/58/1064285058.db2.gz TZRZHBQUJDHYKB-GOTSBHOMSA-N 1 0 480.701 4.763 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870858 1064286358 /nfs/dbraw/zinc/28/63/58/1064286358.db2.gz YDWRMYHGTNTHIE-ZDXQCDESSA-N 1 0 494.728 4.867 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+](C)Cc1ccccc1 ZINC001359733555 1064291176 /nfs/dbraw/zinc/29/11/76/1064291176.db2.gz BGKAAWIRZNDHKH-OAQYLSRUSA-N 1 0 471.447 4.793 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2ccccc2Br)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359734020 1064292702 /nfs/dbraw/zinc/29/27/02/1064292702.db2.gz LBXIGQTXOAJAGV-DENIHFKCSA-N 1 0 478.504 4.770 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1Cc1ccc(F)cc1 ZINC001545876410 1064292911 /nfs/dbraw/zinc/29/29/11/1064292911.db2.gz ZGAZNUYVAVCDDA-OAQYLSRUSA-N 1 0 498.691 4.865 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCc1c(C)cccc1C ZINC001545879401 1064294854 /nfs/dbraw/zinc/29/48/54/1064294854.db2.gz VOMRJBCGVCUOJR-UHFFFAOYSA-N 1 0 480.701 4.511 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC001545880033 1064295661 /nfs/dbraw/zinc/29/56/61/1064295661.db2.gz NNENBAINZCPKLM-NRFANRHFSA-N 1 0 453.583 4.705 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC001545880143 1064296254 /nfs/dbraw/zinc/29/62/54/1064296254.db2.gz RGYPCRYWPDMKMK-UYAOXDASSA-N 1 0 452.624 4.576 20 0 JJADRO CCc1nnc(N2CCC[C@@H]2c2ccc(OC)cc2OC)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001546510658 1064296657 /nfs/dbraw/zinc/29/66/57/1064296657.db2.gz KAFWTEHXBDBJLC-PQNGQFLHSA-N 1 0 469.674 4.957 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359737577 1064298527 /nfs/dbraw/zinc/29/85/27/1064298527.db2.gz APDDTJQZKFDPEJ-HKBOAZHASA-N 1 0 486.661 4.871 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359737747 1064299359 /nfs/dbraw/zinc/29/93/59/1064299359.db2.gz FHAPCRXOQIERBO-UNMCSNQZSA-N 1 0 487.092 4.608 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359737795 1064300133 /nfs/dbraw/zinc/30/01/33/1064300133.db2.gz GPGPJENFYQZNQO-SFTDATJTSA-N 1 0 457.619 4.985 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001359738831 1064303726 /nfs/dbraw/zinc/30/37/26/1064303726.db2.gz DZILBSOSWLOSJJ-RBUKOAKNSA-N 1 0 477.495 4.793 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[NH+]2CCOCC2)C1 ZINC001359738890 1064304450 /nfs/dbraw/zinc/30/44/50/1064304450.db2.gz GSMFGSDMPWOHMK-SFHVURJKSA-N 1 0 466.457 4.847 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001359739550 1064307686 /nfs/dbraw/zinc/30/76/86/1064307686.db2.gz XAUHNKKZELQGAO-QZTJIDSGSA-N 1 0 463.468 4.783 20 0 JJADRO CC(C)C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOCC[NH+](C)C)CC1 ZINC001359739611 1064308256 /nfs/dbraw/zinc/30/82/56/1064308256.db2.gz ZAWRGMVQZZGXDZ-UHFFFAOYSA-N 1 0 459.704 4.726 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001359744217 1064315126 /nfs/dbraw/zinc/31/51/26/1064315126.db2.gz BTCDWGYGOXTICC-NZQKXSOJSA-N 1 0 453.656 4.746 20 0 JJADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001434885815 1064317718 /nfs/dbraw/zinc/31/77/18/1064317718.db2.gz WWRIMZBPLZBCAW-RLFYNMQTSA-N 1 0 451.792 4.822 20 0 JJADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)C1 ZINC001434885823 1064317780 /nfs/dbraw/zinc/31/77/80/1064317780.db2.gz WWRIMZBPLZBCAW-VKJFTORMSA-N 1 0 451.792 4.822 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001359746084 1064322918 /nfs/dbraw/zinc/32/29/18/1064322918.db2.gz YKLJXOZVTHCBBW-FDFHNCONSA-N 1 0 488.721 4.653 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001359746662 1064325134 /nfs/dbraw/zinc/32/51/34/1064325134.db2.gz KVTCSEUUYMQJBA-WOJBJXKFSA-N 1 0 460.047 4.824 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C2CC2)[NH+](C)C)CCS1 ZINC001359747470 1064328028 /nfs/dbraw/zinc/32/80/28/1064328028.db2.gz CCMKCNDYSGMBLE-WOJBJXKFSA-N 1 0 452.043 4.656 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C[NH+]2CCCC2)CCS1 ZINC001359747766 1064330346 /nfs/dbraw/zinc/33/03/46/1064330346.db2.gz IAATUNMPGLIVFE-LJQANCHMSA-N 1 0 463.095 4.693 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC001359747913 1064331462 /nfs/dbraw/zinc/33/14/62/1064331462.db2.gz KXYMLWFAFPMAHE-PGRDOPGGSA-N 1 0 464.029 4.863 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001359747972 1064332057 /nfs/dbraw/zinc/33/20/57/1064332057.db2.gz MFGKDUVXCFPVHS-LJQANCHMSA-N 1 0 498.897 4.810 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001359748629 1064336262 /nfs/dbraw/zinc/33/62/62/1064336262.db2.gz ARMWCFSYFPNANA-RUZDIDTESA-N 1 0 466.674 4.807 20 0 JJADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cnc2ncc(Br)cc2c1 ZINC001434917419 1064344310 /nfs/dbraw/zinc/34/43/10/1064344310.db2.gz JPIHBWCPHYXBAX-UHFFFAOYSA-N 1 0 457.397 4.502 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001359753916 1064344336 /nfs/dbraw/zinc/34/43/36/1064344336.db2.gz UOALOUVYHXIFLB-ZJSXRUAMSA-N 1 0 457.638 4.524 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[C@@H](C)[NH+]2CCCCC2)CCS1 ZINC001359754069 1064344368 /nfs/dbraw/zinc/34/43/68/1064344368.db2.gz XKSVQEJXQWHXNR-NFBKMPQASA-N 1 0 459.679 4.850 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2c(C)onc2-c2ccccc2C)CC1 ZINC001434919025 1064346266 /nfs/dbraw/zinc/34/62/66/1064346266.db2.gz HUAIFXSGACBUAE-SFHVURJKSA-N 1 0 450.558 4.730 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCSc2cccc(Cl)c2)CC1 ZINC001434921485 1064349624 /nfs/dbraw/zinc/34/96/24/1064349624.db2.gz PXLDDTQCCLXOQA-QGZVFWFLSA-N 1 0 450.023 4.981 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)CCO1 ZINC001359756185 1064352472 /nfs/dbraw/zinc/35/24/72/1064352472.db2.gz NGXZTUALKFHXSN-NRFANRHFSA-N 1 0 482.456 4.511 20 0 JJADRO CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359756369 1064353312 /nfs/dbraw/zinc/35/33/12/1064353312.db2.gz QGNDNWBYXWYYMZ-IFMALSPDSA-N 1 0 490.490 4.689 20 0 JJADRO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359759736 1064365496 /nfs/dbraw/zinc/36/54/96/1064365496.db2.gz LDRUGUTUCYDRRC-RSXGOPAZSA-N 1 0 467.702 4.825 20 0 JJADRO CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001359760766 1064370060 /nfs/dbraw/zinc/37/00/60/1064370060.db2.gz YXKQGTRXUMQQSM-ZEQKJWHPSA-N 1 0 471.665 4.626 20 0 JJADRO CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359762115 1064374428 /nfs/dbraw/zinc/37/44/28/1064374428.db2.gz QEBMQIGVTLUDQM-GMAHTHKFSA-N 1 0 460.066 4.970 20 0 JJADRO C[C@@H](CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC001434962418 1064378029 /nfs/dbraw/zinc/37/80/29/1064378029.db2.gz OCJXBNOIQGOJER-ZDUSSCGKSA-N 1 0 457.290 4.524 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+](C)C ZINC001359764457 1064383756 /nfs/dbraw/zinc/38/37/56/1064383756.db2.gz BHALRDKTQLHHAM-FXAWDEMLSA-N 1 0 478.479 4.688 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C2CCOCC2)C1)[NH+](C)C ZINC001359764803 1064385393 /nfs/dbraw/zinc/38/53/93/1064385393.db2.gz JRMHXJJKIOHSNX-JCTONOIOSA-N 1 0 487.664 4.786 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1nccs1)[NH+](C)C ZINC001359765632 1064388162 /nfs/dbraw/zinc/38/81/62/1064388162.db2.gz ZWCYMUGUWOPQSH-GOSISDBHSA-N 1 0 477.476 4.777 20 0 JJADRO CCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001434974391 1064388719 /nfs/dbraw/zinc/38/87/19/1064388719.db2.gz FQOZHALKLSOBLF-DEOSSOPVSA-N 1 0 453.652 4.570 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](COc2ccccc2)C1)[NH+](C)C ZINC001359765743 1064388868 /nfs/dbraw/zinc/38/88/68/1064388868.db2.gz AZMAKPZWZJBPDZ-RBBKRZOGSA-N 1 0 483.060 4.875 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cnccn1)[NH+](C)C ZINC001359765765 1064388912 /nfs/dbraw/zinc/38/89/12/1064388912.db2.gz BFQFUBNEJLIFIF-NRFANRHFSA-N 1 0 467.687 4.678 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CCC(N)=O)CC1)[NH+](C)C ZINC001359765984 1064390035 /nfs/dbraw/zinc/39/00/35/1064390035.db2.gz GFNFFWGCZJFKNN-XMMPIXPASA-N 1 0 482.717 4.701 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001359766412 1064391751 /nfs/dbraw/zinc/39/17/51/1064391751.db2.gz NJRDIGUQFOUWQY-FFCVWOAGSA-N 1 0 483.701 4.603 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001359766413 1064391962 /nfs/dbraw/zinc/39/19/62/1064391962.db2.gz NJRDIGUQFOUWQY-WKJFVQFFSA-N 1 0 483.701 4.603 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001359767027 1064395191 /nfs/dbraw/zinc/39/51/91/1064395191.db2.gz ZBZLZKVXBSRYEJ-HSZRJFAPSA-N 1 0 487.117 4.959 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OC(C)(C)C)CC1)[NH+](C)C ZINC001359767683 1064396976 /nfs/dbraw/zinc/39/69/76/1064396976.db2.gz MUTXJUCJFUHJDW-DEOSSOPVSA-N 1 0 493.700 4.891 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001359767663 1064396988 /nfs/dbraw/zinc/39/69/88/1064396988.db2.gz MJAUPMIGVBAWDJ-HSZRJFAPSA-N 1 0 478.616 4.555 20 0 JJADRO CC[C@@H](C)c1nc(C)c(CC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c(C)n1 ZINC001434980607 1064397087 /nfs/dbraw/zinc/39/70/87/1064397087.db2.gz BWSVTORETCFLHO-GOSISDBHSA-N 1 0 451.615 4.603 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(Br)ccc2C1)[NH+](C)C ZINC001359768632 1064398625 /nfs/dbraw/zinc/39/86/25/1064398625.db2.gz CMMHQKANPDUHDN-FGZHOGPDSA-N 1 0 490.490 4.821 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1)[NH+](C)C ZINC001359768463 1064398860 /nfs/dbraw/zinc/39/88/60/1064398860.db2.gz ATOOWDDVICPOLK-VXKWHMMOSA-N 1 0 490.490 4.862 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1F)C1CC1)[NH+](C)C ZINC001359769141 1064399351 /nfs/dbraw/zinc/39/93/51/1064399351.db2.gz LAKLVXCZPNSCMZ-DENIHFKCSA-N 1 0 461.601 4.596 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1Cc2ccccc2C1)[NH+](C)C ZINC001359769804 1064400063 /nfs/dbraw/zinc/40/00/63/1064400063.db2.gz VDXSCAMSKUOEQN-XMMPIXPASA-N 1 0 496.700 4.889 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359769577 1064400132 /nfs/dbraw/zinc/40/01/32/1064400132.db2.gz RGCKPOXBBKFISZ-ILWGZMRPSA-N 1 0 476.710 4.652 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)[NH+](C)C ZINC001359769656 1064400168 /nfs/dbraw/zinc/40/01/68/1064400168.db2.gz SFAYFRUHXMLGGS-LJQANCHMSA-N 1 0 467.584 4.579 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1)[NH+](C)C ZINC001359769848 1064400790 /nfs/dbraw/zinc/40/07/90/1064400790.db2.gz VRLMIUVJKVFYDW-JYAXOCDNSA-N 1 0 494.700 4.553 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)[NH+](C)C ZINC001359769988 1064400809 /nfs/dbraw/zinc/40/08/09/1064400809.db2.gz XMKPSSRMHUYWML-WOJBJXKFSA-N 1 0 481.611 4.969 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCc1cccs1)[NH+](C)C ZINC001359770470 1064401912 /nfs/dbraw/zinc/40/19/12/1064401912.db2.gz GHYMODYDOWYHMU-CVDCTZTESA-N 1 0 469.655 4.507 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(Cc1ccco1)C(C)C)[NH+](C)C ZINC001359770455 1064402072 /nfs/dbraw/zinc/40/20/72/1064402072.db2.gz GAQPDYZTBBQTNS-RDPSFJRHSA-N 1 0 467.614 4.775 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccccc2F)nnc1Nc1cnn([C@H]2CC2(F)F)c1)[NH+](C)C ZINC001359770772 1064402815 /nfs/dbraw/zinc/40/28/15/1064402815.db2.gz LOTQVRGFDGVUSI-ICSRJNTNSA-N 1 0 461.536 4.505 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1)[NH+](C)C ZINC001359770756 1064402829 /nfs/dbraw/zinc/40/28/29/1064402829.db2.gz LIBCDUWHPCCAGZ-ICSRJNTNSA-N 1 0 481.582 4.995 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001359771029 1064403544 /nfs/dbraw/zinc/40/35/44/1064403544.db2.gz PJCGUVXJNJEOBP-RTWAWAEBSA-N 1 0 485.702 4.797 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001359771062 1064403553 /nfs/dbraw/zinc/40/35/53/1064403553.db2.gz PUFKFJQEPKDPLZ-QHCPKHFHSA-N 1 0 474.738 4.508 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1)[NH+](C)C ZINC001359771096 1064403726 /nfs/dbraw/zinc/40/37/26/1064403726.db2.gz QNFLFSPIJRQBFT-HXUWFJFHSA-N 1 0 459.013 4.669 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001359771329 1064404246 /nfs/dbraw/zinc/40/42/46/1064404246.db2.gz UTSMBEOYGLZURA-DEOSSOPVSA-N 1 0 484.092 4.612 20 0 JJADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1)[NH+](C)C ZINC001359771328 1064404402 /nfs/dbraw/zinc/40/44/02/1064404402.db2.gz UTJDTIQURBLFLU-OAQYLSRUSA-N 1 0 494.688 4.672 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1)[NH+](C)C ZINC001359771513 1064405097 /nfs/dbraw/zinc/40/50/97/1064405097.db2.gz YRXBKVVLXMQBGM-VXKWHMMOSA-N 1 0 483.060 4.551 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001359771416 1064405100 /nfs/dbraw/zinc/40/51/00/1064405100.db2.gz WTWIDTOLCAVOBL-QGZVFWFLSA-N 1 0 492.512 4.561 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccccc1)[NH+](C)C ZINC001359771406 1064405116 /nfs/dbraw/zinc/40/51/16/1064405116.db2.gz WMSXBDMLYSZXDZ-URXFXBBRSA-N 1 0 459.642 4.690 20 0 JJADRO CC(C)C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1cccc(F)c1)[NH+](C)C ZINC001359771658 1064406022 /nfs/dbraw/zinc/40/60/22/1064406022.db2.gz ASDUFQRHKGRTOC-FGZHOGPDSA-N 1 0 498.672 4.727 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001359771907 1064406752 /nfs/dbraw/zinc/40/67/52/1064406752.db2.gz GJJPBBCTBMEMCD-NWSQWKLXSA-N 1 0 459.654 4.925 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCc2sccc2C1)[NH+](C)C ZINC001359771866 1064406828 /nfs/dbraw/zinc/40/68/28/1064406828.db2.gz FSIVYXVLEDSFCS-FQEVSTJZSA-N 1 0 457.619 4.597 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001359771967 1064407255 /nfs/dbraw/zinc/40/72/55/1064407255.db2.gz GZHGUAQACUJTLY-QGLKVJOYSA-N 1 0 451.725 4.503 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001359772364 1064408168 /nfs/dbraw/zinc/40/81/68/1064408168.db2.gz OAQVJRCNXIQXPV-YSFYHYPLSA-N 1 0 476.710 4.809 20 0 JJADRO CC(C)C[C@@H](Cn1c(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001359772492 1064408928 /nfs/dbraw/zinc/40/89/28/1064408928.db2.gz QGJBOFVEQYTMOX-SFTDATJTSA-N 1 0 478.726 4.635 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC001359772943 1064409894 /nfs/dbraw/zinc/40/98/94/1064409894.db2.gz YTSACNIGNXHGRP-RTOMLYRKSA-N 1 0 476.710 4.507 20 0 JJADRO CC(C)C[C@@H](Cn1c(N2CCc3ccc(Br)cc3C2)nnc1C(C)(C)C)[NH+](C)C ZINC001359772952 1064410002 /nfs/dbraw/zinc/41/00/02/1064410002.db2.gz YZHNLUUXIWONHE-FQEVSTJZSA-N 1 0 462.480 4.877 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359775340 1064418103 /nfs/dbraw/zinc/41/81/03/1064418103.db2.gz NUPSQHSIGCFIBT-RYRBGNSGSA-N 1 0 459.704 4.532 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359776353 1064418453 /nfs/dbraw/zinc/41/84/53/1064418453.db2.gz IIOAWTFWDCVXFG-KNQAVFIVSA-N 1 0 498.510 4.823 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001359777167 1064420601 /nfs/dbraw/zinc/42/06/01/1064420601.db2.gz CGHRTFDDGMJMMQ-LSYYVWMOSA-N 1 0 467.702 4.909 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359777435 1064421356 /nfs/dbraw/zinc/42/13/56/1064421356.db2.gz JYMFQZXXMQEMHM-ZCYQVOJMSA-N 1 0 452.691 4.704 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCC[C@@H]1CCCCO1 ZINC001359777829 1064422095 /nfs/dbraw/zinc/42/20/95/1064422095.db2.gz RUWGVSJBOXEJSY-RPBOFIJWSA-N 1 0 453.675 4.927 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359778131 1064423074 /nfs/dbraw/zinc/42/30/74/1064423074.db2.gz ZQHCCDJWDZJDMC-BFLUCZKCSA-N 1 0 453.675 4.639 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001359779649 1064427071 /nfs/dbraw/zinc/42/70/71/1064427071.db2.gz SUTIHEVJQRUPKR-MRXNPFEDSA-N 1 0 454.482 4.669 20 0 JJADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)cc1 ZINC001435012163 1064427972 /nfs/dbraw/zinc/42/79/72/1064427972.db2.gz HCGWXYHALNVGOA-UHFFFAOYSA-N 1 0 450.514 4.536 20 0 JJADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)c2c(C(F)F)nc3n2CCCC3)cc1 ZINC001435012718 1064428680 /nfs/dbraw/zinc/42/86/80/1064428680.db2.gz KAPBGOPAYBXWGE-UHFFFAOYSA-N 1 0 459.541 4.614 20 0 JJADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)c2ccc(OC3CCCC3)nc2)cc1 ZINC001435013028 1064429745 /nfs/dbraw/zinc/42/97/45/1064429745.db2.gz LOEVWWZLNMVNPT-UHFFFAOYSA-N 1 0 450.583 4.860 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cccc(OC(F)F)c2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359780607 1064430521 /nfs/dbraw/zinc/43/05/21/1064430521.db2.gz CDSKUXHMEGPQQE-UHFFFAOYSA-N 1 0 475.609 4.834 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cccc(Br)c2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359781005 1064431555 /nfs/dbraw/zinc/43/15/55/1064431555.db2.gz QIAUOHSNGHLHDN-HXUWFJFHSA-N 1 0 450.469 4.852 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1CC[NH+]1CCC(C)CC1 ZINC001359783926 1064435940 /nfs/dbraw/zinc/43/59/40/1064435940.db2.gz NWBBMVQMXPLQHU-AHWVRZQESA-N 1 0 453.675 4.813 20 0 JJADRO C[NH+](C)CCc1ccc(NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001435019553 1064436011 /nfs/dbraw/zinc/43/60/11/1064436011.db2.gz SDOCSCBYZJWFDD-UHFFFAOYSA-N 1 0 454.617 4.598 20 0 JJADRO CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001359785022 1064438806 /nfs/dbraw/zinc/43/88/06/1064438806.db2.gz WSRQEXXGSAQVGX-ZJSXRUAMSA-N 1 0 459.704 4.874 20 0 JJADRO CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001359785019 1064438947 /nfs/dbraw/zinc/43/89/47/1064438947.db2.gz WSRQEXXGSAQVGX-QPPBQGQZSA-N 1 0 459.704 4.874 20 0 JJADRO CC(C)Cc1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359791856 1064449404 /nfs/dbraw/zinc/44/94/04/1064449404.db2.gz GZBLNQUOZNPONY-MSOLQXFVSA-N 1 0 460.464 4.880 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(Br)cc2Br)c1 ZINC001435035492 1064451972 /nfs/dbraw/zinc/45/19/72/1064451972.db2.gz YNMVBGGSCACFBD-UHFFFAOYSA-N 1 0 454.206 4.724 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359794389 1064452671 /nfs/dbraw/zinc/45/26/71/1064452671.db2.gz WTWZYTFNMLCACG-MDNUFGMLSA-N 1 0 493.618 4.935 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359796257 1064455503 /nfs/dbraw/zinc/45/55/03/1064455503.db2.gz XBFAUBMCGCLBQD-ZRZAMGCNSA-N 1 0 465.686 4.944 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359796233 1064455539 /nfs/dbraw/zinc/45/55/39/1064455539.db2.gz XBFAUBMCGCLBQD-GOTSBHOMSA-N 1 0 465.686 4.944 20 0 JJADRO CO[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)c1ccccc1C(F)(F)F ZINC001435041922 1064458004 /nfs/dbraw/zinc/45/80/04/1064458004.db2.gz WLLWLLAJGMPLST-OAQYLSRUSA-N 1 0 453.480 4.701 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359796968 1064458101 /nfs/dbraw/zinc/45/81/01/1064458101.db2.gz QNXQPBAMQIBIHG-NRFANRHFSA-N 1 0 457.688 4.758 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001359797112 1064458770 /nfs/dbraw/zinc/45/87/70/1064458770.db2.gz VCPSXLKQCSBRSV-UHFFFAOYSA-N 1 0 494.728 4.594 20 0 JJADRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001435045211 1064461988 /nfs/dbraw/zinc/46/19/88/1064461988.db2.gz NWZROMBEWFBAFB-UYAOXDASSA-N 1 0 458.628 4.684 20 0 JJADRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001435045206 1064462126 /nfs/dbraw/zinc/46/21/26/1064462126.db2.gz NWZROMBEWFBAFB-AZUAARDMSA-N 1 0 458.628 4.684 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359799160 1064465113 /nfs/dbraw/zinc/46/51/13/1064465113.db2.gz YJWWBALCBUCIHC-YADHBBJMSA-N 1 0 490.737 4.727 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359800896 1064467842 /nfs/dbraw/zinc/46/78/42/1064467842.db2.gz MQBTVXJXCXFEFD-HFZDXXHNSA-N 1 0 471.665 4.830 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001359800854 1064467909 /nfs/dbraw/zinc/46/79/09/1064467909.db2.gz LNLCPXBHOJQTJG-NBGIEHNGSA-N 1 0 474.093 4.812 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CCOc1ncccc1Cl ZINC001359801813 1064469608 /nfs/dbraw/zinc/46/96/08/1064469608.db2.gz BFXLWJFTVSILBS-NRFANRHFSA-N 1 0 483.060 4.705 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1Cc1cccnc1OCC(F)F ZINC001359802440 1064470565 /nfs/dbraw/zinc/47/05/65/1064470565.db2.gz OEBXCTPZBNVPLE-NRFANRHFSA-N 1 0 498.622 4.665 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1CC[N@H+](C)C1CCCCC1 ZINC001545888433 1064471232 /nfs/dbraw/zinc/47/12/32/1064471232.db2.gz LZPUVTNXFMHQBO-UHFFFAOYSA-N 1 0 487.092 4.677 20 0 JJADRO CC(C)Cc1nnc(N2CCC(c3ccsc3)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001359804758 1064473353 /nfs/dbraw/zinc/47/33/53/1064473353.db2.gz FRWXHLWLDWRUST-UHFFFAOYSA-N 1 0 467.683 4.911 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001359807662 1064478095 /nfs/dbraw/zinc/47/80/95/1064478095.db2.gz AQGDVNLQYZUNIG-MUUNZHRXSA-N 1 0 467.702 4.766 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001359808593 1064480853 /nfs/dbraw/zinc/48/08/53/1064480853.db2.gz PTPVXSMKNLAQDS-HXUWFJFHSA-N 1 0 493.622 4.705 20 0 JJADRO Cc1cc(C)c(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c(C)c1Br ZINC001435062801 1064480811 /nfs/dbraw/zinc/48/08/11/1064480811.db2.gz IJAWLTZCVOGPSO-UHFFFAOYSA-N 1 0 453.371 4.785 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001359809265 1064482563 /nfs/dbraw/zinc/48/25/63/1064482563.db2.gz LFYHJXKFDXCDRC-VSKRKVRLSA-N 1 0 471.665 4.745 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359809326 1064483456 /nfs/dbraw/zinc/48/34/56/1064483456.db2.gz NKCBXWMOECVPSO-QHCPKHFHSA-N 1 0 484.689 4.521 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC001435065599 1064485097 /nfs/dbraw/zinc/48/50/97/1064485097.db2.gz UNUVGGTUYJVIBM-UHFFFAOYSA-N 1 0 459.299 4.864 20 0 JJADRO CC(C)Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359811222 1064486745 /nfs/dbraw/zinc/48/67/45/1064486745.db2.gz HGSVTLVQURPJMW-LJQANCHMSA-N 1 0 481.611 4.655 20 0 JJADRO CC(C)Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](C)COCc1ccccc1 ZINC001359811973 1064488390 /nfs/dbraw/zinc/48/83/90/1064488390.db2.gz FKPWUHCMBXGWCK-HSZRJFAPSA-N 1 0 453.675 4.784 20 0 JJADRO CC(C)Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359815006 1064494689 /nfs/dbraw/zinc/49/46/89/1064494689.db2.gz STUSBEMSGZYXCJ-UHFFFAOYSA-N 1 0 470.662 4.839 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCCc3ccccc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359817516 1064500584 /nfs/dbraw/zinc/50/05/84/1064500584.db2.gz GDIBOXMEDHIRPZ-VWLOTQADSA-N 1 0 467.702 4.825 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359817983 1064501256 /nfs/dbraw/zinc/50/12/56/1064501256.db2.gz QCSZRGWJQHZWDW-UHFFFAOYSA-N 1 0 453.675 4.784 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359819873 1064503257 /nfs/dbraw/zinc/50/32/57/1064503257.db2.gz YMZFGFRNNFZWKB-NRFANRHFSA-N 1 0 467.649 4.773 20 0 JJADRO CC(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1CC[NH+]1CCCCCC1 ZINC001359821594 1064504390 /nfs/dbraw/zinc/50/43/90/1064504390.db2.gz OQGKHFYYBRHWOR-UHFFFAOYSA-N 1 0 460.464 4.678 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001359826539 1064508740 /nfs/dbraw/zinc/50/87/40/1064508740.db2.gz QXYVTLCEUGGXIS-ZEQRLZLVSA-N 1 0 453.675 4.872 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359830139 1064512652 /nfs/dbraw/zinc/51/26/52/1064512652.db2.gz COHREOUYSWJOJR-JTHBVZDNSA-N 1 0 463.674 4.724 20 0 JJADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC001435098991 1064513214 /nfs/dbraw/zinc/51/32/14/1064513214.db2.gz LHSZKEGIMNHIQX-UHFFFAOYSA-N 1 0 458.002 4.939 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359832707 1064516442 /nfs/dbraw/zinc/51/64/42/1064516442.db2.gz NSBZBFGRKBOLTI-SFTDATJTSA-N 1 0 489.590 4.836 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C[C@@](C)(O)c1cccs1 ZINC001359833194 1064517918 /nfs/dbraw/zinc/51/79/18/1064517918.db2.gz VKSVYMDQDQXVOU-SQJMNOBHSA-N 1 0 459.704 4.538 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359833308 1064518460 /nfs/dbraw/zinc/51/84/60/1064518460.db2.gz WBVKZTLUANLQPK-VQTJNVASSA-N 1 0 481.611 4.654 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001359835125 1064522039 /nfs/dbraw/zinc/52/20/39/1064522039.db2.gz SESRDWZKHLUCIJ-JOCHJYFZSA-N 1 0 472.653 4.571 20 0 JJADRO CC(C)Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359841133 1064527908 /nfs/dbraw/zinc/52/79/08/1064527908.db2.gz CNBMFRAFWSMMAB-UHFFFAOYSA-N 1 0 470.662 4.792 20 0 JJADRO CC(C)Cc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCc1ccc(Br)cc1 ZINC001359841315 1064528619 /nfs/dbraw/zinc/52/86/19/1064528619.db2.gz KHMVAUMQRWCIBQ-UHFFFAOYSA-N 1 0 474.491 4.937 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)cc(Br)c1 ZINC001359844669 1064530679 /nfs/dbraw/zinc/53/06/79/1064530679.db2.gz GVMKFGQMFHFJLZ-UHFFFAOYSA-N 1 0 458.169 4.555 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC001435130565 1064535662 /nfs/dbraw/zinc/53/56/62/1064535662.db2.gz BCTWTZCGSIFLNQ-NFBKMPQASA-N 1 0 452.599 4.506 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cnc2ncc(Br)cc2c1 ZINC001435131320 1064536261 /nfs/dbraw/zinc/53/62/61/1064536261.db2.gz BTMRUQPCMIXQBF-UHFFFAOYSA-N 1 0 453.384 4.698 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001359852838 1064540067 /nfs/dbraw/zinc/54/00/67/1064540067.db2.gz WTPXIHBLRMZFIX-QFIPXVFZSA-N 1 0 473.109 4.969 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359852890 1064540491 /nfs/dbraw/zinc/54/04/91/1064540491.db2.gz YUNJAGCNJGHEEM-XXBNENTESA-N 1 0 470.662 4.695 20 0 JJADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001359853645 1064541153 /nfs/dbraw/zinc/54/11/53/1064541153.db2.gz MDKZAVKQXRBBSL-UHFFFAOYSA-N 1 0 452.565 4.698 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCOc1ccccc1C(C)C ZINC001359855208 1064542498 /nfs/dbraw/zinc/54/24/98/1064542498.db2.gz GIGIYMDXCSNISL-JOCHJYFZSA-N 1 0 453.675 4.990 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1sccc1Br ZINC001359855131 1064542881 /nfs/dbraw/zinc/54/28/81/1064542881.db2.gz CPKQHEHCWGNYRI-MRXNPFEDSA-N 1 0 466.493 4.660 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCO[C@@H](C)c1ccccc1 ZINC001359855800 1064543233 /nfs/dbraw/zinc/54/32/33/1064543233.db2.gz SFQGOMBVNWSXEY-GOTSBHOMSA-N 1 0 453.675 4.955 20 0 JJADRO CC(C)Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC(C)(C)c1cccc(F)c1 ZINC001359856791 1064544113 /nfs/dbraw/zinc/54/41/13/1064544113.db2.gz RKZBUWVRIIZSOD-UHFFFAOYSA-N 1 0 484.708 4.588 20 0 JJADRO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC001435145427 1064545723 /nfs/dbraw/zinc/54/57/23/1064545723.db2.gz RQSHCUBODACOQV-GOSISDBHSA-N 1 0 452.599 4.606 20 0 JJADRO O=C(c1cc(Cl)ncc1Br)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001359859177 1064547155 /nfs/dbraw/zinc/54/71/55/1064547155.db2.gz XFTMDJSREMJYIH-UHFFFAOYSA-N 1 0 457.199 4.889 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359860136 1064548581 /nfs/dbraw/zinc/54/85/81/1064548581.db2.gz NFLMTJNTFJQZFZ-UHFFFAOYSA-N 1 0 478.607 4.835 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359860179 1064548905 /nfs/dbraw/zinc/54/89/05/1064548905.db2.gz FZAYPIOIAOELMB-PKTZIBPZSA-N 1 0 498.716 4.690 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359860606 1064549269 /nfs/dbraw/zinc/54/92/69/1064549269.db2.gz UYDSVAONJWWYFI-UHFFFAOYSA-N 1 0 466.045 4.906 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359864006 1064553288 /nfs/dbraw/zinc/55/32/88/1064553288.db2.gz CSLMANJWCZWQRN-FPOVZHCZSA-N 1 0 453.528 4.772 20 0 JJADRO CS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1Cl ZINC001359862945 1064553327 /nfs/dbraw/zinc/55/33/27/1064553327.db2.gz AAJUEYVMFRLQNH-RTBURBONSA-N 1 0 475.035 4.659 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359865770 1064555874 /nfs/dbraw/zinc/55/58/74/1064555874.db2.gz ISAKTLWOFGNQHM-ZEQRLZLVSA-N 1 0 475.628 4.843 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001359865855 1064556423 /nfs/dbraw/zinc/55/64/23/1064556423.db2.gz JVNHZNIULWXKRW-HSZRJFAPSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001359866295 1064557023 /nfs/dbraw/zinc/55/70/23/1064557023.db2.gz OUXPAZVQJXUFPD-DENIHFKCSA-N 1 0 490.490 4.549 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359866305 1064557718 /nfs/dbraw/zinc/55/77/18/1064557718.db2.gz OYRMKSBVEGPDTE-OALUTQOASA-N 1 0 466.095 4.890 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359866395 1064557725 /nfs/dbraw/zinc/55/77/25/1064557725.db2.gz QLECMTSTLRHRSV-HOFKKMOUSA-N 1 0 453.675 4.883 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359867372 1064559145 /nfs/dbraw/zinc/55/91/45/1064559145.db2.gz AOELOMUZLQTRGX-WOJBJXKFSA-N 1 0 476.735 4.785 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359868929 1064561165 /nfs/dbraw/zinc/56/11/65/1064561165.db2.gz PHEQVKQATNMPFY-QPPBQGQZSA-N 1 0 457.638 4.848 20 0 JJADRO C[S@@](=O)Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccc1Cl ZINC001435171303 1064565595 /nfs/dbraw/zinc/56/55/95/1064565595.db2.gz SGGOJPRMUQMBCD-IYZCWWITSA-N 1 0 474.051 4.529 20 0 JJADRO C[S@](=O)Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccc1Cl ZINC001435171291 1064565789 /nfs/dbraw/zinc/56/57/89/1064565789.db2.gz SGGOJPRMUQMBCD-ISOMHIKHSA-N 1 0 474.051 4.529 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)CC1 ZINC001435176433 1064570050 /nfs/dbraw/zinc/57/00/50/1064570050.db2.gz TYDFUQCDNPYYMO-RDPSFJRHSA-N 1 0 451.611 4.669 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001359881804 1064575713 /nfs/dbraw/zinc/57/57/13/1064575713.db2.gz SKPLLBJJIDXYFX-ACRUOGEOSA-N 1 0 457.638 4.844 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001359881805 1064576132 /nfs/dbraw/zinc/57/61/32/1064576132.db2.gz SKPLLBJJIDXYFX-HBMCJLEFSA-N 1 0 457.638 4.844 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001359881806 1064576297 /nfs/dbraw/zinc/57/62/97/1064576297.db2.gz SKPLLBJJIDXYFX-NJYVYQBISA-N 1 0 457.638 4.844 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001435188463 1064578013 /nfs/dbraw/zinc/57/80/13/1064578013.db2.gz KEYUTSIMIPTFIO-KRWDZBQOSA-N 1 0 451.514 4.717 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001435189723 1064578884 /nfs/dbraw/zinc/57/88/84/1064578884.db2.gz RPEDJIJOMIUHJC-JOCHJYFZSA-N 1 0 451.636 4.896 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001359887843 1064584414 /nfs/dbraw/zinc/58/44/14/1064584414.db2.gz YSHKFNMFETUSCG-VJBWXMMDSA-N 1 0 488.721 4.954 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001435196697 1064585260 /nfs/dbraw/zinc/58/52/60/1064585260.db2.gz UKHMPCMSIPYWCG-BOCWGRARSA-N 1 0 477.649 4.592 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359889725 1064588406 /nfs/dbraw/zinc/58/84/06/1064588406.db2.gz FLADOSZOKZGNQB-MHZLTWQESA-N 1 0 453.675 4.835 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001435204947 1064590921 /nfs/dbraw/zinc/59/09/21/1064590921.db2.gz BZBGGIMYWUTTTO-OAHLLOKOSA-N 1 0 451.792 4.848 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359891355 1064591557 /nfs/dbraw/zinc/59/15/57/1064591557.db2.gz ZOTCBQBSFYCMSQ-AREMUKBSSA-N 1 0 453.631 4.845 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359891450 1064591991 /nfs/dbraw/zinc/59/19/91/1064591991.db2.gz RJTFBESCTNWQHS-SANMLTNESA-N 1 0 489.108 4.883 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359891449 1064592151 /nfs/dbraw/zinc/59/21/51/1064592151.db2.gz RJTFBESCTNWQHS-AREMUKBSSA-N 1 0 489.108 4.883 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001435208010 1064592356 /nfs/dbraw/zinc/59/23/56/1064592356.db2.gz YMDWSDAILWCUGE-ZLNRFVROSA-N 1 0 476.061 4.767 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001359891880 1064593852 /nfs/dbraw/zinc/59/38/52/1064593852.db2.gz YQGPJQAYERELAG-YIXXDRMTSA-N 1 0 497.087 4.891 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(F)c(Br)cc3F)cc2F)CC1 ZINC001359906816 1064622429 /nfs/dbraw/zinc/62/24/29/1064622429.db2.gz JYFNZJFOWFCGSL-UHFFFAOYSA-N 1 0 456.306 4.649 20 0 JJADRO CC(C)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001359908022 1064624704 /nfs/dbraw/zinc/62/47/04/1064624704.db2.gz RHLZBQCTQAUVJN-DEOSSOPVSA-N 1 0 455.647 4.783 20 0 JJADRO C[NH+](C)CCCN(C(=O)CN1Cc2ccccc2OC1=O)C(c1ccccc1)c1ccccc1 ZINC001359914817 1064634757 /nfs/dbraw/zinc/63/47/57/1064634757.db2.gz ZPDSWWJUEDOCGN-UHFFFAOYSA-N 1 0 457.574 4.571 20 0 JJADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001435259939 1064635941 /nfs/dbraw/zinc/63/59/41/1064635941.db2.gz FIKPCKBGJVJBRJ-GIWBLDEGSA-N 1 0 457.640 4.588 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[N@H+](C)C1CCCCC1 ZINC001359915274 1064636390 /nfs/dbraw/zinc/63/63/90/1064636390.db2.gz GMEWZKQVELYYNC-UHFFFAOYSA-N 1 0 455.647 4.853 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(OCc3ccccc3)cc2)[C@H]1c1cccs1 ZINC001435260281 1064636571 /nfs/dbraw/zinc/63/65/71/1064636571.db2.gz IOVKKBSMQLXARI-LVXARBLLSA-N 1 0 450.604 4.905 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359918344 1064641040 /nfs/dbraw/zinc/64/10/40/1064641040.db2.gz FNTOAJHPAHSIPD-LOSJGSFVSA-N 1 0 453.675 4.957 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001359918627 1064642605 /nfs/dbraw/zinc/64/26/05/1064642605.db2.gz LOFLLHLOFXWADS-YADHBBJMSA-N 1 0 478.726 4.851 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001359921751 1064648705 /nfs/dbraw/zinc/64/87/05/1064648705.db2.gz SVMVWUARXNYILB-CLJLJLNGSA-N 1 0 497.728 4.684 20 0 JJADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001435273534 1064651378 /nfs/dbraw/zinc/65/13/78/1064651378.db2.gz JVJZJLPEQFUVCP-ZZXKWVIFSA-N 1 0 459.390 4.537 20 0 JJADRO CC(C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001359933114 1064672898 /nfs/dbraw/zinc/67/28/98/1064672898.db2.gz CIVIPTNKENNZIB-WOJBJXKFSA-N 1 0 477.072 4.779 20 0 JJADRO CC(C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001359933112 1064672919 /nfs/dbraw/zinc/67/29/19/1064672919.db2.gz CIVIPTNKENNZIB-BGYRXZFFSA-N 1 0 477.072 4.779 20 0 JJADRO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cc(Br)ccc2n1 ZINC001435303214 1064678528 /nfs/dbraw/zinc/67/85/28/1064678528.db2.gz IWQFJYTYWRZTKH-IBGZPJMESA-N 1 0 452.396 4.900 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCCOc1ccc(Br)cc1 ZINC001435305081 1064679311 /nfs/dbraw/zinc/67/93/11/1064679311.db2.gz QXEMYKNEHIYXNU-NRFANRHFSA-N 1 0 459.428 4.979 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545890144 1064679985 /nfs/dbraw/zinc/67/99/85/1064679985.db2.gz RPRGSRHRBWFEGS-ACRUOGEOSA-N 1 0 498.691 4.827 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Cl)cc1Br ZINC001435318294 1064690910 /nfs/dbraw/zinc/69/09/10/1064690910.db2.gz FFOXSSPCJUWPTA-UHFFFAOYSA-N 1 0 452.780 4.505 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001359947144 1064695840 /nfs/dbraw/zinc/69/58/40/1064695840.db2.gz AQQLXTBAABOJOH-UHFFFAOYSA-N 1 0 496.744 4.962 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(F)(F)C2)CC1 ZINC001359947238 1064695927 /nfs/dbraw/zinc/69/59/27/1064695927.db2.gz DTTGKAWFVAYICQ-UHFFFAOYSA-N 1 0 485.421 4.639 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC001359947143 1064695937 /nfs/dbraw/zinc/69/59/37/1064695937.db2.gz AQDOBZPSDNHSTI-UHFFFAOYSA-N 1 0 498.691 4.698 20 0 JJADRO CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001359947306 1064695951 /nfs/dbraw/zinc/69/59/51/1064695951.db2.gz GVJMAYVERLWYAM-WXFUMESZSA-N 1 0 453.675 4.954 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001359947601 1064697133 /nfs/dbraw/zinc/69/71/33/1064697133.db2.gz BRMRAWWSUOQVMN-QHCPKHFHSA-N 1 0 475.722 4.714 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC3CC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001359947772 1064697791 /nfs/dbraw/zinc/69/77/91/1064697791.db2.gz COXIBVVYOHSDGC-XMMPIXPASA-N 1 0 485.639 4.518 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001359948809 1064701049 /nfs/dbraw/zinc/70/10/49/1064701049.db2.gz RFNNWJCIXKJDRH-FQEVSTJZSA-N 1 0 482.595 4.579 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CCOc3ccccc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001359948882 1064701096 /nfs/dbraw/zinc/70/10/96/1064701096.db2.gz SXLFKSDRPBUGPU-QHCPKHFHSA-N 1 0 483.701 4.661 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccc3Cl)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001359948991 1064701649 /nfs/dbraw/zinc/70/16/49/1064701649.db2.gz VGCMPDFTLLGLKI-PMACEKPBSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001359948973 1064701745 /nfs/dbraw/zinc/70/17/45/1064701745.db2.gz UWBWTYPZPLMAOA-HSZRJFAPSA-N 1 0 467.702 4.825 20 0 JJADRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c2cc(Br)ccc2n1 ZINC001435337018 1064707938 /nfs/dbraw/zinc/70/79/38/1064707938.db2.gz CAHHMKLEZNABIP-OPAMFIHVSA-N 1 0 452.396 4.946 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001435338782 1064708802 /nfs/dbraw/zinc/70/88/02/1064708802.db2.gz JQTCUZDUARLRRF-FDDCHVKYSA-N 1 0 456.030 4.643 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N(C)Cc3ccccc3N3CCOCC3)nnc2C(C)(C)C)CC1 ZINC001359951604 1064710164 /nfs/dbraw/zinc/71/01/64/1064710164.db2.gz ZRXLQNGMOMTXPK-UHFFFAOYSA-N 1 0 496.744 4.807 20 0 JJADRO Cn1cc(C(=O)NCc2ccccc2OCCC[N@H+](C)C2CCCC2)c(-c2cccs2)n1 ZINC001435351625 1064717810 /nfs/dbraw/zinc/71/78/10/1064717810.db2.gz KGQANFRUEFBBLY-UHFFFAOYSA-N 1 0 452.624 4.722 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCOCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001359954390 1064719644 /nfs/dbraw/zinc/71/96/44/1064719644.db2.gz GFYNWQBTDZYFEC-QHCPKHFHSA-N 1 0 469.655 4.571 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001359955121 1064723184 /nfs/dbraw/zinc/72/31/84/1064723184.db2.gz QKUBDKKIVMHUAZ-VWNXMTODSA-N 1 0 469.674 4.573 20 0 JJADRO Cc1c(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cnn1-c1ccc(F)cc1F ZINC001359957175 1064725950 /nfs/dbraw/zinc/72/59/50/1064725950.db2.gz LIYJOWHTLVFJPQ-HXUWFJFHSA-N 1 0 458.940 4.897 20 0 JJADRO O=C(Cc1ccc(Br)c(Br)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001435366075 1064726295 /nfs/dbraw/zinc/72/62/95/1064726295.db2.gz MPQXLKQPISSPCA-UHFFFAOYSA-N 1 0 458.238 4.667 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001359958560 1064728385 /nfs/dbraw/zinc/72/83/85/1064728385.db2.gz ZTCXEOAMFYCEJV-UHFFFAOYSA-N 1 0 489.655 4.911 20 0 JJADRO Cc1ccc(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)cc1N1CCOCC1 ZINC001435373806 1064728620 /nfs/dbraw/zinc/72/86/20/1064728620.db2.gz WPTDVQFBZRHYEY-UHFFFAOYSA-N 1 0 457.618 4.654 20 0 JJADRO CC(C)CCOCCn1c(C2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001359967229 1064742132 /nfs/dbraw/zinc/74/21/32/1064742132.db2.gz MURCNKVBPITJSF-UHFFFAOYSA-N 1 0 457.638 4.850 20 0 JJADRO CC(C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001359967321 1064742864 /nfs/dbraw/zinc/74/28/64/1064742864.db2.gz PNDSTVITUPUJOA-ILBGXUMGSA-N 1 0 469.674 4.683 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359970729 1064746456 /nfs/dbraw/zinc/74/64/56/1064746456.db2.gz BTAJRLZUTCBWRO-HDICACEKSA-N 1 0 465.484 4.506 20 0 JJADRO C[N@H+](CCNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)Cc1ccc(F)cc1 ZINC001435415607 1064746614 /nfs/dbraw/zinc/74/66/14/1064746614.db2.gz CRFNATTVCUMHKU-UHFFFAOYSA-N 1 0 451.489 4.754 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359970810 1064747025 /nfs/dbraw/zinc/74/70/25/1064747025.db2.gz FJUSFYWVVVPRDV-INIZCTEOSA-N 1 0 451.457 4.638 20 0 JJADRO C[C@@H](CCNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)[N@H+](C)Cc1ccccc1 ZINC001435421701 1064749955 /nfs/dbraw/zinc/74/99/55/1064749955.db2.gz FZIQYACEUJKNIX-FQEVSTJZSA-N 1 0 451.611 4.620 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)s2)cc1OC ZINC001435422960 1064750615 /nfs/dbraw/zinc/75/06/15/1064750615.db2.gz MDVTZIGJVVNLKI-KRWDZBQOSA-N 1 0 453.608 4.776 20 0 JJADRO CC(C)CN(c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC001359982987 1064759135 /nfs/dbraw/zinc/75/91/35/1064759135.db2.gz IWCYFQCCENRQJF-RUZDIDTESA-N 1 0 467.702 4.986 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC001359985131 1064763189 /nfs/dbraw/zinc/76/31/89/1064763189.db2.gz HDZZZCYLNRZHLG-FQEVSTJZSA-N 1 0 475.081 4.899 20 0 JJADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C1 ZINC001435452865 1064765172 /nfs/dbraw/zinc/76/51/72/1064765172.db2.gz SWUQSWQGBDZSQJ-SFHVURJKSA-N 1 0 456.530 4.887 20 0 JJADRO CC(C)CN(c1nnc(-c2ccccn2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CCCC1 ZINC001359986160 1064766531 /nfs/dbraw/zinc/76/65/31/1064766531.db2.gz ASSSDZNVJBHHDI-SFTDATJTSA-N 1 0 454.663 4.633 20 0 JJADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccccc1OCc1ccc(Cl)cc1 ZINC001435457523 1064768428 /nfs/dbraw/zinc/76/84/28/1064768428.db2.gz GYXGKJVUKAXQER-UHFFFAOYSA-N 1 0 457.014 4.932 20 0 JJADRO Cc1ccccc1COc1cccc(CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC001435459081 1064768944 /nfs/dbraw/zinc/76/89/44/1064768944.db2.gz WMOUVOJLUCBDCJ-UHFFFAOYSA-N 1 0 450.623 4.515 20 0 JJADRO CC(C)CN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1)C(C)C ZINC001359990423 1064772040 /nfs/dbraw/zinc/77/20/40/1064772040.db2.gz YIXLMDPYGQIHKH-OAQYLSRUSA-N 1 0 476.710 4.748 20 0 JJADRO CC(C)CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1([NH+](C)C)CCSC1)C(C)C ZINC001359993141 1064776185 /nfs/dbraw/zinc/77/61/85/1064776185.db2.gz PFTXEJQBYVAHPG-NBGIEHNGSA-N 1 0 494.750 4.658 20 0 JJADRO CC(C)CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1([NH+](C)C)CCSC1)C(C)C ZINC001359993140 1064776277 /nfs/dbraw/zinc/77/62/77/1064776277.db2.gz PFTXEJQBYVAHPG-CPJSRVTESA-N 1 0 494.750 4.658 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1csc2nccn12)[NH+](C)C ZINC001435471378 1064777058 /nfs/dbraw/zinc/77/70/58/1064777058.db2.gz JXKBLIVIHOKIEW-LJQANCHMSA-N 1 0 453.439 4.860 20 0 JJADRO CC(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001359995015 1064779132 /nfs/dbraw/zinc/77/91/32/1064779132.db2.gz QGULCZMWIDDPCE-IBGZPJMESA-N 1 0 457.619 4.639 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3csc(Cc4ccc(Cl)cc4)n3)nc2)CC1 ZINC001435478164 1064780759 /nfs/dbraw/zinc/78/07/59/1064780759.db2.gz VLYJHZSDGOCWKP-UHFFFAOYSA-N 1 0 456.015 4.565 20 0 JJADRO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001360006891 1064794146 /nfs/dbraw/zinc/79/41/46/1064794146.db2.gz YUZNDDHUEKWRBD-ACESQOTJSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)C2)C1 ZINC001360007538 1064794993 /nfs/dbraw/zinc/79/49/93/1064794993.db2.gz DMMWNWQTQKOSSY-NHCUHLMSSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)C2)C1 ZINC001360007537 1064795348 /nfs/dbraw/zinc/79/53/48/1064795348.db2.gz DMMWNWQTQKOSSY-LEWJYISDSA-N 1 0 473.637 4.540 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2ccc3c(c2)CC(C)(C)O3)cc1Cl ZINC001435509570 1064796150 /nfs/dbraw/zinc/79/61/50/1064796150.db2.gz IQEOLMQWPFTZBQ-UHFFFAOYSA-N 1 0 458.002 4.768 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360008110 1064796163 /nfs/dbraw/zinc/79/61/63/1064796163.db2.gz KYPHAQIUASZKDY-UXHICEINSA-N 1 0 478.056 4.968 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2c(F)cccc2SC)cc1Cl ZINC001435510320 1064797165 /nfs/dbraw/zinc/79/71/65/1064797165.db2.gz SEDATPIJQSVYJP-UHFFFAOYSA-N 1 0 451.995 4.915 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CC(F)(F)F)C1 ZINC001360008276 1064797261 /nfs/dbraw/zinc/79/72/61/1064797261.db2.gz OIHCBWLUXKOKEN-SFHVURJKSA-N 1 0 475.563 4.702 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360009566 1064798833 /nfs/dbraw/zinc/79/88/33/1064798833.db2.gz BXZXANJWXQWHQC-FQEVSTJZSA-N 1 0 472.584 4.879 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360009567 1064798895 /nfs/dbraw/zinc/79/88/95/1064798895.db2.gz BXZXANJWXQWHQC-HXUWFJFHSA-N 1 0 472.584 4.879 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)C1 ZINC001360009944 1064799599 /nfs/dbraw/zinc/79/95/99/1064799599.db2.gz HSLLHUYRMAZYRK-LEWJYISDSA-N 1 0 452.672 4.891 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2cccs2)C1 ZINC001360009946 1064799788 /nfs/dbraw/zinc/79/97/88/1064799788.db2.gz HSLLHUYRMAZYRK-RTWAWAEBSA-N 1 0 452.672 4.891 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C1 ZINC001360010174 1064800820 /nfs/dbraw/zinc/80/08/20/1064800820.db2.gz LUXJNDUCCUGGOO-BBTUJRGHSA-N 1 0 483.554 4.608 20 0 JJADRO CN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435517527 1064800825 /nfs/dbraw/zinc/80/08/25/1064800825.db2.gz GNNSDHFGYQRSIX-HXUWFJFHSA-N 1 0 458.002 4.962 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001360010102 1064800864 /nfs/dbraw/zinc/80/08/64/1064800864.db2.gz KNPJVEJJQMXRCJ-FCHUYYIVSA-N 1 0 490.092 4.709 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001360010176 1064801003 /nfs/dbraw/zinc/80/10/03/1064801003.db2.gz LUXJNDUCCUGGOO-LVCYWYKZSA-N 1 0 483.554 4.608 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001360010368 1064801548 /nfs/dbraw/zinc/80/15/48/1064801548.db2.gz OXPQAPQFNIPMQV-FKBYEOEOSA-N 1 0 490.737 4.584 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010185 1064801593 /nfs/dbraw/zinc/80/15/93/1064801593.db2.gz LYZUJTWKBRJNJJ-GGAORHGYSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)CC2CCCC2)C1 ZINC001360011407 1064805231 /nfs/dbraw/zinc/80/52/31/1064805231.db2.gz DDOZABQWEVMKLR-JOCHJYFZSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC[C@@H]2C(C)C)C1 ZINC001360011311 1064805289 /nfs/dbraw/zinc/80/52/89/1064805289.db2.gz BRPAXQZUIVEESC-FYYLOGMGSA-N 1 0 457.638 4.989 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCOC[C@H]2C)C1 ZINC001360011715 1064806345 /nfs/dbraw/zinc/80/63/45/1064806345.db2.gz HGWYAVFYCPTICU-WOJBJXKFSA-N 1 0 478.106 4.817 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)C1 ZINC001360011816 1064807377 /nfs/dbraw/zinc/80/73/77/1064807377.db2.gz IVIZOHDULAIXKS-WMZHIEFXSA-N 1 0 475.628 4.800 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)nnc2C(C)(C)C)C1 ZINC001360012399 1064810051 /nfs/dbraw/zinc/81/00/51/1064810051.db2.gz REGGGRUBJVWYCP-ONTIZHBOSA-N 1 0 459.704 4.972 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC2CCCCC2)C1 ZINC001360012777 1064810925 /nfs/dbraw/zinc/81/09/25/1064810925.db2.gz VUAAZSZWDUVYMO-QFIPXVFZSA-N 1 0 486.730 4.654 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CCC2CCOCC2)C1 ZINC001360012840 1064811094 /nfs/dbraw/zinc/81/10/94/1064811094.db2.gz XLBPFZFIELYYCQ-HSZRJFAPSA-N 1 0 459.704 4.551 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2csc(CCc3ccccc3)n2)CC1 ZINC001360013850 1064812091 /nfs/dbraw/zinc/81/20/91/1064812091.db2.gz BIHLEFMWKMTWEO-UHFFFAOYSA-N 1 0 466.699 4.644 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC[C@@H]2CCCO2)CC1 ZINC001360017626 1064818475 /nfs/dbraw/zinc/81/84/75/1064818475.db2.gz HLJTYKZGKRUYRI-VWLOTQADSA-N 1 0 483.701 4.606 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001360017738 1064818545 /nfs/dbraw/zinc/81/85/45/1064818545.db2.gz IUFFRBZMCDHFPP-UNMCSNQZSA-N 1 0 490.490 4.547 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001360018992 1064821831 /nfs/dbraw/zinc/82/18/31/1064821831.db2.gz XAFJMEVFDDOPMY-UHFFFAOYSA-N 1 0 478.950 4.839 20 0 JJADRO COCCSc1ccc([C@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001360020229 1064823789 /nfs/dbraw/zinc/82/37/89/1064823789.db2.gz RXDJNVCTQGEXSI-WUMKDDEVSA-N 1 0 481.687 4.975 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccncc2Cl)CC1 ZINC001360021254 1064824638 /nfs/dbraw/zinc/82/46/38/1064824638.db2.gz CCSFXBKMVQRMNZ-UHFFFAOYSA-N 1 0 489.849 4.582 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001545891776 1064825538 /nfs/dbraw/zinc/82/55/38/1064825538.db2.gz HXPSENOIKXEEIE-UHFFFAOYSA-N 1 0 478.685 4.612 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)c2nccs2)CC1 ZINC001360030328 1064832863 /nfs/dbraw/zinc/83/28/63/1064832863.db2.gz IGZAQPFMNZYHSP-SFHVURJKSA-N 1 0 459.063 4.561 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(C)CCC2)CC1 ZINC001360031308 1064833635 /nfs/dbraw/zinc/83/36/35/1064833635.db2.gz CYRHTEQIXXUTJI-UHFFFAOYSA-N 1 0 476.463 4.588 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc2c(cncc2Br)s1 ZINC001360032394 1064834264 /nfs/dbraw/zinc/83/42/64/1064834264.db2.gz LYCRUPRPWTWFPP-UHFFFAOYSA-N 1 0 454.340 4.541 20 0 JJADRO Cc1ccc(-n2nc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3F)c3c2CCCC3)cc1 ZINC001360032490 1064835342 /nfs/dbraw/zinc/83/53/42/1064835342.db2.gz OKFTZRSMMKAOQZ-UHFFFAOYSA-N 1 0 452.549 4.542 20 0 JJADRO C[C@@H]1CN(C(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001435565095 1064836898 /nfs/dbraw/zinc/83/68/98/1064836898.db2.gz HWQQOESYYIGCKO-RTWAWAEBSA-N 1 0 455.643 4.535 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001360034379 1064838020 /nfs/dbraw/zinc/83/80/20/1064838020.db2.gz UMRJUWCGUWCGEQ-HSZRJFAPSA-N 1 0 480.632 4.609 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccsc2)C1 ZINC001360034164 1064838307 /nfs/dbraw/zinc/83/83/07/1064838307.db2.gz BUQRXCNJBQQAHW-PZJWPPBQSA-N 1 0 487.645 4.612 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001360034700 1064839208 /nfs/dbraw/zinc/83/92/08/1064839208.db2.gz GXNDIZGTPWNKKF-SIKLNZKXSA-N 1 0 460.066 4.828 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(C)C)C2)C1 ZINC001360036261 1064844069 /nfs/dbraw/zinc/84/40/69/1064844069.db2.gz WXYMJDYHQPZEST-VABKMULXSA-N 1 0 487.664 4.786 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@H](C)C(C)(C)C2)C1 ZINC001360036176 1064844235 /nfs/dbraw/zinc/84/42/35/1064844235.db2.gz UWAPWJUIIFUGGW-UGKGYDQZSA-N 1 0 491.627 4.776 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360036177 1064844287 /nfs/dbraw/zinc/84/42/87/1064844287.db2.gz UYCWXEUIXDJGPL-FQEVSTJZSA-N 1 0 485.982 4.734 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(C)C)C2)C1 ZINC001360036262 1064844767 /nfs/dbraw/zinc/84/47/67/1064844767.db2.gz WXYMJDYHQPZEST-VJBWXMMDSA-N 1 0 487.664 4.786 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001360036359 1064845304 /nfs/dbraw/zinc/84/53/04/1064845304.db2.gz YMRZRUPTBWGCLW-PTUXOGIPSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001360038583 1064849540 /nfs/dbraw/zinc/84/95/40/1064849540.db2.gz HLVGFSMHOXDCDL-HSZRJFAPSA-N 1 0 488.721 4.677 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)[C@@H](C)c2cccs2)C1 ZINC001360038210 1064849848 /nfs/dbraw/zinc/84/98/48/1064849848.db2.gz CJOZAZSWPYSSMO-VQTJNVASSA-N 1 0 487.645 4.612 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(N(C)Cc3ccccc3C(F)(F)F)nnc2C(C)(C)C)C1 ZINC001360038737 1064850360 /nfs/dbraw/zinc/85/03/60/1064850360.db2.gz JFNBAOGNKODOMN-LJQANCHMSA-N 1 0 467.580 4.588 20 0 JJADRO C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001435586350 1064850516 /nfs/dbraw/zinc/85/05/16/1064850516.db2.gz MIADKKYAVZNGTB-IFMALSPDSA-N 1 0 451.611 4.742 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001435586406 1064851422 /nfs/dbraw/zinc/85/14/22/1064851422.db2.gz MVIVNHBRSZXUJJ-WMZOPIPTSA-N 1 0 458.393 4.605 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)C(F)(F)c2ccccc2Br)C[N@@H+]1Cc1ccccc1 ZINC001435587950 1064852881 /nfs/dbraw/zinc/85/28/81/1064852881.db2.gz TZBBFWKXOZJFDI-WMZOPIPTSA-N 1 0 451.355 4.958 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)C[N@@H+]1Cc1ccccc1 ZINC001435588519 1064853834 /nfs/dbraw/zinc/85/38/34/1064853834.db2.gz XYAWJETXDYNVIA-MJGOQNOKSA-N 1 0 455.396 4.642 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC001360039764 1064854437 /nfs/dbraw/zinc/85/44/37/1064854437.db2.gz MXSCBNUYSCCGMU-MOPGFXCFSA-N 1 0 496.121 4.516 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(C3CCCC3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001360041672 1064857604 /nfs/dbraw/zinc/85/76/04/1064857604.db2.gz GFKOOUZJGDLKFX-NRFANRHFSA-N 1 0 488.702 4.605 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360042714 1064859008 /nfs/dbraw/zinc/85/90/08/1064859008.db2.gz ZVGNMMBKUBPUPQ-PSWAGMNNSA-N 1 0 496.700 4.618 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001435593949 1064859899 /nfs/dbraw/zinc/85/98/99/1064859899.db2.gz RYBLFCBAIJSGCZ-CWTOASCOSA-N 1 0 459.638 4.619 20 0 JJADRO CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)c2)CC1 ZINC001435598744 1064863628 /nfs/dbraw/zinc/86/36/28/1064863628.db2.gz ASVQEMKLBKBCTC-ZCYQVOJMSA-N 1 0 454.014 4.773 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001360044622 1064863461 /nfs/dbraw/zinc/86/34/61/1064863461.db2.gz YANVVOCMKFNUCP-UHFFFAOYSA-N 1 0 490.737 4.826 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1OC ZINC001435603778 1064868069 /nfs/dbraw/zinc/86/80/69/1064868069.db2.gz KLGKZGAGFNGIIM-UHFFFAOYSA-N 1 0 451.611 4.526 20 0 JJADRO CC(C)COc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001360051273 1064878103 /nfs/dbraw/zinc/87/81/03/1064878103.db2.gz AIXLSBDLWFWSOQ-UHFFFAOYSA-N 1 0 467.683 4.934 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001360056083 1064886222 /nfs/dbraw/zinc/88/62/22/1064886222.db2.gz AGTDEPSIZYUPLR-SIKLNZKXSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001360056082 1064886315 /nfs/dbraw/zinc/88/63/15/1064886315.db2.gz AGTDEPSIZYUPLR-KNQAVFIVSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001360058827 1064896035 /nfs/dbraw/zinc/89/60/35/1064896035.db2.gz WUPUDHOESZDXDY-OAQYLSRUSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001360061980 1064901919 /nfs/dbraw/zinc/90/19/19/1064901919.db2.gz FCMKDBSRYZMNLU-RPBOFIJWSA-N 1 0 467.702 4.683 20 0 JJADRO CC(C)COCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001360066262 1064908831 /nfs/dbraw/zinc/90/88/31/1064908831.db2.gz IBXNDHSFGGZHAV-UHFFFAOYSA-N 1 0 461.054 4.511 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001360067533 1064912288 /nfs/dbraw/zinc/91/22/88/1064912288.db2.gz XIXOLSOEZVGOOB-OAQYLSRUSA-N 1 0 476.090 4.737 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ncsc2Br)cc1)C[C@H]1CCCCO1 ZINC001435672489 1064925773 /nfs/dbraw/zinc/92/57/73/1064925773.db2.gz HBDDFDODDOMZSI-QGZVFWFLSA-N 1 0 452.418 4.937 20 0 JJADRO CC(=O)N[C@@H](CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1)c1cccs1 ZINC001435672386 1064925795 /nfs/dbraw/zinc/92/57/95/1064925795.db2.gz GDWDNJBIKJYQQE-PKTZIBPZSA-N 1 0 457.640 4.734 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001435675416 1064927702 /nfs/dbraw/zinc/92/77/02/1064927702.db2.gz VSQSUSANQBTIAQ-ZEQRLZLVSA-N 1 0 457.659 4.832 20 0 JJADRO COc1cc(C(=O)Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)cc(OC)c1OC ZINC001435675357 1064927899 /nfs/dbraw/zinc/92/78/99/1064927899.db2.gz UPHNAPSIUSVDAT-QFIPXVFZSA-N 1 0 456.583 4.744 20 0 JJADRO CC(C)CSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001360080691 1064938858 /nfs/dbraw/zinc/93/88/58/1064938858.db2.gz OLYBAWWOBQCACK-UHFFFAOYSA-N 1 0 496.494 4.768 20 0 JJADRO CC(C)CSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001360082843 1064942947 /nfs/dbraw/zinc/94/29/47/1064942947.db2.gz NUHNDJWNPVNJFW-NRFANRHFSA-N 1 0 491.149 4.592 20 0 JJADRO COc1ccc(Br)cc1C1(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001435707793 1064949631 /nfs/dbraw/zinc/94/96/31/1064949631.db2.gz WFAQKACLBDGYTO-PKOBYXMFSA-N 1 0 457.412 4.516 20 0 JJADRO C[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435708890 1064949854 /nfs/dbraw/zinc/94/98/54/1064949854.db2.gz ZGMVOMKCAPZQPH-HQMWTILSSA-N 1 0 453.671 4.659 20 0 JJADRO CC(C)CSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360087144 1064951508 /nfs/dbraw/zinc/95/15/08/1064951508.db2.gz MQYAFZFFBIAOQB-GOTSBHOMSA-N 1 0 470.731 4.744 20 0 JJADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001360089757 1064957063 /nfs/dbraw/zinc/95/70/63/1064957063.db2.gz YTLGTAPMZDVDEO-UHFFFAOYSA-N 1 0 487.092 4.556 20 0 JJADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C(F)(F)c3ccc(Cl)cc3)cc2)C[C@@H]1C ZINC001435726171 1064958432 /nfs/dbraw/zinc/95/84/32/1064958432.db2.gz XMGHMIKQBIXKSU-ROUUACIJSA-N 1 0 450.957 4.757 20 0 JJADRO COCc1nc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(-c2ccccc2)s1 ZINC001435726943 1064958923 /nfs/dbraw/zinc/95/89/23/1064958923.db2.gz VKUBPSAZTDZSNK-UHFFFAOYSA-N 1 0 450.608 4.739 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2csc(-c3ccco3)n2)CC1 ZINC001360092417 1064961529 /nfs/dbraw/zinc/96/15/29/1064961529.db2.gz FGZUAXKDOUOFID-UHFFFAOYSA-N 1 0 456.660 4.897 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360092710 1064963160 /nfs/dbraw/zinc/96/31/60/1064963160.db2.gz PFVAOJCFWPLOSO-DEOSSOPVSA-N 1 0 496.700 4.880 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360092841 1064964088 /nfs/dbraw/zinc/96/40/88/1064964088.db2.gz UYKVOCLOUUKESO-HSZRJFAPSA-N 1 0 458.654 4.945 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCC(F)F)CC1 ZINC001360092930 1064964602 /nfs/dbraw/zinc/96/46/02/1064964602.db2.gz XTUQIMDEKDZLJR-UHFFFAOYSA-N 1 0 473.971 4.576 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001360094526 1064965663 /nfs/dbraw/zinc/96/56/63/1064965663.db2.gz CQKHEGINXPWVNC-ZEQKJWHPSA-N 1 0 490.092 4.637 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCCC3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001360094741 1064966661 /nfs/dbraw/zinc/96/66/61/1064966661.db2.gz KVQLOUBYRLFSIJ-UHFFFAOYSA-N 1 0 476.710 4.797 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CC3)n2Cc2ccccc2OCC(F)(F)F)CC1 ZINC001360094709 1064966716 /nfs/dbraw/zinc/96/67/16/1064966716.db2.gz JVKCBVTZJSSSMQ-UHFFFAOYSA-N 1 0 465.564 4.702 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCC3)n2Cc2c(F)cc(F)c(F)c2F)CC1 ZINC001360095162 1064968331 /nfs/dbraw/zinc/96/83/31/1064968331.db2.gz YVYWPCGTMYUKDQ-UHFFFAOYSA-N 1 0 453.528 4.707 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001360095385 1064969120 /nfs/dbraw/zinc/96/91/20/1064969120.db2.gz HLQOJTOXEXBIQS-OAQYLSRUSA-N 1 0 450.002 4.527 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(Cl)cc2)CC1 ZINC001360095357 1064969196 /nfs/dbraw/zinc/96/91/96/1064969196.db2.gz GUOVAVZPPYYGBE-UHFFFAOYSA-N 1 0 453.034 4.522 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2CCc2ccccc2Cl)CC1 ZINC001360095454 1064969784 /nfs/dbraw/zinc/96/97/84/1064969784.db2.gz JFUKYPFVYVOFGB-UHFFFAOYSA-N 1 0 467.061 4.717 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(Cl)nc2)CC1 ZINC001360095673 1064970226 /nfs/dbraw/zinc/97/02/26/1064970226.db2.gz NRIVKODJUCUODT-UHFFFAOYSA-N 1 0 467.061 4.717 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001360096134 1064971723 /nfs/dbraw/zinc/97/17/23/1064971723.db2.gz YONVWBJWZRSKHK-UHFFFAOYSA-N 1 0 481.714 4.623 20 0 JJADRO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749357 1064972032 /nfs/dbraw/zinc/97/20/32/1064972032.db2.gz MOPJGCZEYRLCQJ-LBUQITIBSA-N 1 0 457.981 4.926 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360097260 1064973759 /nfs/dbraw/zinc/97/37/59/1064973759.db2.gz BEYRJTIIYNJSSP-FQEVSTJZSA-N 1 0 478.479 4.689 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CC(F)F)CC1 ZINC001360097336 1064973822 /nfs/dbraw/zinc/97/38/22/1064973822.db2.gz DEJHTENTLJXXGC-UHFFFAOYSA-N 1 0 497.059 4.931 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360097304 1064973846 /nfs/dbraw/zinc/97/38/46/1064973846.db2.gz CLIXKAVIQIUHBU-SFHVURJKSA-N 1 0 482.442 4.582 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001360097311 1064974094 /nfs/dbraw/zinc/97/40/94/1064974094.db2.gz COHWZXDTSZNIQR-NHCUHLMSSA-N 1 0 494.453 4.725 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(OCc3cscn3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435750536 1064975199 /nfs/dbraw/zinc/97/51/99/1064975199.db2.gz RLRWGAWRVSTVGQ-VGSWGCGISA-N 1 0 459.974 4.937 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001360097693 1064976650 /nfs/dbraw/zinc/97/66/50/1064976650.db2.gz QEGYLINGCPBFDK-OAQYLSRUSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001360098382 1064977992 /nfs/dbraw/zinc/97/79/92/1064977992.db2.gz PUJWHFOIIBLRSI-OAQYLSRUSA-N 1 0 476.547 4.600 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(C2CCC2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001360100101 1064979350 /nfs/dbraw/zinc/97/93/50/1064979350.db2.gz HEIIMVGFZBOCSL-HXUWFJFHSA-N 1 0 498.663 4.747 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360100309 1064980051 /nfs/dbraw/zinc/98/00/51/1064980051.db2.gz KBNRZHREVUQEKF-FSSWDIPSSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2nccs2)CC1 ZINC001360101266 1064981153 /nfs/dbraw/zinc/98/11/53/1064981153.db2.gz JMNBBAPFFMIYJK-UHFFFAOYSA-N 1 0 456.635 4.579 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360101542 1064981860 /nfs/dbraw/zinc/98/18/60/1064981860.db2.gz SNLFJMUPEPMRGU-CALCHBBNSA-N 1 0 455.544 4.605 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(N2CC(C)(C)OC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360103843 1064984201 /nfs/dbraw/zinc/98/42/01/1064984201.db2.gz ZPTVUNQUSPUBAT-UHFFFAOYSA-N 1 0 453.675 4.872 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCCC1 ZINC001360103721 1064984386 /nfs/dbraw/zinc/98/43/86/1064984386.db2.gz VTGSSGHIPQCXIN-SZPZYZBQSA-N 1 0 476.710 4.796 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(OCC2CC2)CC1 ZINC001360106478 1064987848 /nfs/dbraw/zinc/98/78/48/1064987848.db2.gz DOUVJFHVIMQDKD-UHFFFAOYSA-N 1 0 466.457 4.988 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001360106442 1064987987 /nfs/dbraw/zinc/98/79/87/1064987987.db2.gz CWNLKOUUFBXRDZ-UHFFFAOYSA-N 1 0 482.456 4.714 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cccs1 ZINC001360106571 1064988016 /nfs/dbraw/zinc/98/80/16/1064988016.db2.gz IYDJXCJMFCWYIZ-UHFFFAOYSA-N 1 0 466.424 4.885 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001360106943 1064988602 /nfs/dbraw/zinc/98/86/02/1064988602.db2.gz XBNTVDQVDMBUTQ-JXFKEZNVSA-N 1 0 452.430 4.597 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)Cc1cnn(C)c1 ZINC001360106803 1064988722 /nfs/dbraw/zinc/98/87/22/1064988722.db2.gz RSEYISIPFOJFQU-UHFFFAOYSA-N 1 0 467.618 4.523 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(Cc2cccs2)CC1 ZINC001360107023 1064988879 /nfs/dbraw/zinc/98/88/79/1064988879.db2.gz ZKJVBFJIGRBUTR-UHFFFAOYSA-N 1 0 493.508 4.976 20 0 JJADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001360109843 1064991658 /nfs/dbraw/zinc/99/16/58/1064991658.db2.gz JPPVDCYVELQPKF-GMAHTHKFSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001360111110 1064992351 /nfs/dbraw/zinc/99/23/51/1064992351.db2.gz YXDMZGURSZVFTN-DNVJHFABSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)OC1CCCC1 ZINC001360112288 1064993986 /nfs/dbraw/zinc/99/39/86/1064993986.db2.gz BHCPTMQFOUVZMD-UHFFFAOYSA-N 1 0 456.418 4.815 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001360112833 1064994128 /nfs/dbraw/zinc/99/41/28/1064994128.db2.gz MJXHAFZNKDTCMO-IBGZPJMESA-N 1 0 496.483 4.757 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001360113268 1064994657 /nfs/dbraw/zinc/99/46/57/1064994657.db2.gz VIWWNYVNOBFADC-HSZRJFAPSA-N 1 0 471.690 4.746 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001360113247 1064994851 /nfs/dbraw/zinc/99/48/51/1064994851.db2.gz UMDAYGDSCNKHLA-PXNSSMCTSA-N 1 0 482.456 4.509 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001360113097 1064994963 /nfs/dbraw/zinc/99/49/63/1064994963.db2.gz RBKHXEADNZBIET-UHFFFAOYSA-N 1 0 461.601 4.646 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001435805712 1065001438 /nfs/dbraw/zinc/00/14/38/1065001438.db2.gz QVKKHYLNRUCMIT-SGTLLEGYSA-N 1 0 459.281 4.857 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360116812 1065002596 /nfs/dbraw/zinc/00/25/96/1065002596.db2.gz RIRAKZJLDLIJLZ-DENIHFKCSA-N 1 0 457.619 4.701 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(C(C)(C)C)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001360118971 1065005874 /nfs/dbraw/zinc/00/58/74/1065005874.db2.gz UTGUFUVDQYCNAJ-UHFFFAOYSA-N 1 0 457.663 4.866 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001360120194 1065007892 /nfs/dbraw/zinc/00/78/92/1065007892.db2.gz YBGGCIZOUUPEPX-REWPJTCUSA-N 1 0 455.578 4.622 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360121442 1065009920 /nfs/dbraw/zinc/00/99/20/1065009920.db2.gz ULWBMUMJXLUTAQ-DEOSSOPVSA-N 1 0 474.074 4.968 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)CCCCC1 ZINC001360121438 1065009933 /nfs/dbraw/zinc/00/99/33/1065009933.db2.gz UJJLMTFFCDGUTO-UHFFFAOYSA-N 1 0 484.670 4.542 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360122321 1065011243 /nfs/dbraw/zinc/01/12/43/1065011243.db2.gz CFUJSCFYIHMKLU-JOCHJYFZSA-N 1 0 453.660 4.722 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccon1)C(C)C ZINC001360122958 1065012712 /nfs/dbraw/zinc/01/27/12/1065012712.db2.gz AGODPCBGBHXNIB-UHFFFAOYSA-N 1 0 475.435 4.841 20 0 JJADRO C[NH+](C)CC1(CNC(=O)c2cccnc2Oc2ccc(F)cc2Br)CCCC1 ZINC001435837073 1065016478 /nfs/dbraw/zinc/01/64/78/1065016478.db2.gz HEVHHZRWJPFHID-UHFFFAOYSA-N 1 0 450.352 4.627 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Cl)s1)C(C)C ZINC001360125655 1065018344 /nfs/dbraw/zinc/01/83/44/1065018344.db2.gz RKZQYHMXYGXFNG-UHFFFAOYSA-N 1 0 450.056 4.539 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)C(C)C ZINC001360125824 1065018719 /nfs/dbraw/zinc/01/87/19/1065018719.db2.gz WKMJRVBLYALPGM-QFIPXVFZSA-N 1 0 476.710 4.890 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ccnn2C)CC1)C(C)C ZINC001360126110 1065019122 /nfs/dbraw/zinc/01/91/22/1065019122.db2.gz HKTGFASMPNOFKL-ILBGXUMGSA-N 1 0 499.748 4.823 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)C ZINC001360126078 1065019240 /nfs/dbraw/zinc/01/92/40/1065019240.db2.gz GSJNKYRGRXBPIJ-IBGZPJMESA-N 1 0 486.652 4.512 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CC(F)(F)F)CC1)C(C)C ZINC001360126430 1065020267 /nfs/dbraw/zinc/02/02/67/1065020267.db2.gz QQXBCNFZKIYHQS-UHFFFAOYSA-N 1 0 498.613 4.591 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC001360126908 1065021120 /nfs/dbraw/zinc/02/11/20/1065021120.db2.gz YWRURKHWTAAMHK-XMMPIXPASA-N 1 0 464.633 4.906 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(=O)N(C)C)CC1)C(C)C ZINC001360128135 1065022147 /nfs/dbraw/zinc/02/21/47/1065022147.db2.gz AVKLIZUDBWSNLJ-UHFFFAOYSA-N 1 0 493.071 4.551 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCc2ccc(Br)cc2C1)C(C)C ZINC001360128485 1065022471 /nfs/dbraw/zinc/02/24/71/1065022471.db2.gz GASGSOQBLJIXHY-UHFFFAOYSA-N 1 0 483.458 4.784 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCOC1)C(C)C ZINC001360128395 1065022762 /nfs/dbraw/zinc/02/27/62/1065022762.db2.gz HQOIKOBPWPAPIS-LJQANCHMSA-N 1 0 478.479 4.689 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)CC1)C(C)C ZINC001360128488 1065023230 /nfs/dbraw/zinc/02/32/30/1065023230.db2.gz JYLXDVAOUWZIMD-UHFFFAOYSA-N 1 0 457.516 4.901 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C(C)C ZINC001360128534 1065023272 /nfs/dbraw/zinc/02/32/72/1065023272.db2.gz KOESPUUOWPBMSK-OAQYLSRUSA-N 1 0 471.646 4.577 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCC(F)(F)F)C(C)C ZINC001360128765 1065023780 /nfs/dbraw/zinc/02/37/80/1065023780.db2.gz NEQFBNMDIGWWQZ-UHFFFAOYSA-N 1 0 463.552 4.843 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cc(Br)cs1)C(C)C ZINC001360129154 1065024884 /nfs/dbraw/zinc/02/48/84/1065024884.db2.gz OAHZHISGLQIQPS-UHFFFAOYSA-N 1 0 465.465 4.852 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCCC2(CC2)C1)C(C)C ZINC001360129757 1065025660 /nfs/dbraw/zinc/02/56/60/1065025660.db2.gz ZRKIGOQEBBVXNP-UHFFFAOYSA-N 1 0 463.468 4.545 20 0 JJADRO CCCN(C(=O)c1cccc(NC(=O)OC(C)(C)C)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360130266 1065025728 /nfs/dbraw/zinc/02/57/28/1065025728.db2.gz XCSKXPRKHHIKIE-NRFANRHFSA-N 1 0 452.599 4.945 20 0 JJADRO COC(=O)c1ccc(Cl)c(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1 ZINC001435854396 1065025991 /nfs/dbraw/zinc/02/59/91/1065025991.db2.gz FUCRZRTZRWYUSD-FQEVSTJZSA-N 1 0 450.913 4.750 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C(C)C ZINC001360132579 1065027123 /nfs/dbraw/zinc/02/71/23/1065027123.db2.gz JNCBADLGNKQSRD-LJQANCHMSA-N 1 0 467.584 4.721 20 0 JJADRO CC(C)([C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001435855680 1065027293 /nfs/dbraw/zinc/02/72/93/1065027293.db2.gz NAACFUACHCRDJS-QHCPKHFHSA-N 1 0 459.562 4.823 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1N1CCOCC1)C(C)C ZINC001360132643 1065027742 /nfs/dbraw/zinc/02/77/42/1065027742.db2.gz KVENKIZCKHCPSF-UHFFFAOYSA-N 1 0 468.690 4.528 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1)C(C)C ZINC001360132787 1065027769 /nfs/dbraw/zinc/02/77/69/1065027769.db2.gz MEBGBXJAARZJND-ISJGIBHGSA-N 1 0 469.674 4.505 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccsc1)C(C)C ZINC001360132651 1065027783 /nfs/dbraw/zinc/02/77/83/1065027783.db2.gz LBZXKFPRPYVYFV-QFIPXVFZSA-N 1 0 455.628 4.607 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2cccs2)CC1)C(C)C ZINC001360133073 1065028104 /nfs/dbraw/zinc/02/81/04/1065028104.db2.gz NOQNXJKOBDXLPC-NRFANRHFSA-N 1 0 473.687 4.799 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)C(C)C ZINC001360133433 1065028660 /nfs/dbraw/zinc/02/86/60/1065028660.db2.gz RXIMSFTYXCYWDM-FGZHOGPDSA-N 1 0 460.066 4.504 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(F)(F)F)CC1)C(C)C ZINC001360133445 1065028736 /nfs/dbraw/zinc/02/87/36/1065028736.db2.gz RZNBLISWYNCOKE-NRFANRHFSA-N 1 0 481.563 4.688 20 0 JJADRO CC(C)[NH+](CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)C(C)C ZINC001360133728 1065029172 /nfs/dbraw/zinc/02/91/72/1065029172.db2.gz ZAJHJSODNRITBE-NRFANRHFSA-N 1 0 478.726 4.821 20 0 JJADRO CC(C)[NH+](CCn1c(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)nnc1C(C)(C)C)C(C)C ZINC001360134230 1065030015 /nfs/dbraw/zinc/03/00/15/1065030015.db2.gz IFTMDKCRQITHSN-OAQYLSRUSA-N 1 0 479.616 4.874 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccccc2F)C1)C(C)C ZINC001360134329 1065030490 /nfs/dbraw/zinc/03/04/90/1065030490.db2.gz JUHHEEAXKBEPRS-DEOSSOPVSA-N 1 0 457.638 4.847 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)C(C)C ZINC001360134414 1065030761 /nfs/dbraw/zinc/03/07/61/1065030761.db2.gz KXASWFVUNDZFNU-DEOSSOPVSA-N 1 0 499.679 4.669 20 0 JJADRO CC(C)[NH+](CCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1)C(C)C ZINC001360135471 1065031698 /nfs/dbraw/zinc/03/16/98/1065031698.db2.gz WLXVNKGIRCFXGP-OAQYLSRUSA-N 1 0 479.591 4.634 20 0 JJADRO CC(C)[NH+](CCn1c(CCc2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1)C(C)C ZINC001360135545 1065031976 /nfs/dbraw/zinc/03/19/76/1065031976.db2.gz YZRFEHWTYNPDAH-UHFFFAOYSA-N 1 0 484.092 4.874 20 0 JJADRO CC(C)[NH+](CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)C1)C(C)C ZINC001360135478 1065032024 /nfs/dbraw/zinc/03/20/24/1065032024.db2.gz WYKAHTUYVUZLMT-UHFFFAOYSA-N 1 0 466.095 4.958 20 0 JJADRO CC(C)[NH+](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)C1)C(C)C ZINC001360135520 1065032069 /nfs/dbraw/zinc/03/20/69/1065032069.db2.gz XZRFMOXQIMZRMJ-UHFFFAOYSA-N 1 0 484.472 4.898 20 0 JJADRO Cc1ccc(-c2ncc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CCN(C)CC3)s2)c(C)c1 ZINC001435864872 1065032141 /nfs/dbraw/zinc/03/21/41/1065032141.db2.gz GWPITCHMPOMTIS-DHIUTWEWSA-N 1 0 454.684 4.836 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC2CC(F)C2)CC1 ZINC001360137475 1065032972 /nfs/dbraw/zinc/03/29/72/1065032972.db2.gz SRMYLZYUIUENDE-UHFFFAOYSA-N 1 0 484.447 4.672 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001360138047 1065033992 /nfs/dbraw/zinc/03/39/92/1065033992.db2.gz ABTSAMHXTPOLHH-QGZVFWFLSA-N 1 0 476.456 4.742 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001360139314 1065035453 /nfs/dbraw/zinc/03/54/53/1065035453.db2.gz PXFOFMFNJYCFDV-RBUKOAKNSA-N 1 0 499.025 4.792 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC2)C1 ZINC001360138946 1065035630 /nfs/dbraw/zinc/03/56/30/1065035630.db2.gz LYLTZYAJLRPUBA-MRXNPFEDSA-N 1 0 464.427 4.956 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CCOc2ccccc2Cl)C1 ZINC001360139623 1065036295 /nfs/dbraw/zinc/03/62/95/1065036295.db2.gz RYFRTOGKHRDFIH-IBGZPJMESA-N 1 0 457.022 4.562 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)c2ccccc2)CC1 ZINC001360139839 1065036417 /nfs/dbraw/zinc/03/64/17/1065036417.db2.gz VDSLXUZIRDFFLH-GMKZXUHWSA-N 1 0 483.701 4.629 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360139855 1065036664 /nfs/dbraw/zinc/03/66/64/1065036664.db2.gz VNKAHNOAQZDHAW-KRWDZBQOSA-N 1 0 451.512 4.903 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@@H]2C)C1 ZINC001360140178 1065036693 /nfs/dbraw/zinc/03/66/93/1065036693.db2.gz YQDQSARLRUAUIE-DLBZAZTESA-N 1 0 452.430 4.597 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360140455 1065037412 /nfs/dbraw/zinc/03/74/12/1065037412.db2.gz DONHWWDRGZEZMA-NHCUHLMSSA-N 1 0 450.606 4.721 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)C1 ZINC001360140474 1065037452 /nfs/dbraw/zinc/03/74/52/1065037452.db2.gz DYFKDZRACDKVPH-IBGZPJMESA-N 1 0 450.469 4.620 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC001360140643 1065038518 /nfs/dbraw/zinc/03/85/18/1065038518.db2.gz HZIYHPQUBYZJPA-KJQYSAOYSA-N 1 0 499.750 4.986 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC3CC3)nnc2N(C)CCc2ccc(Br)cc2)C1 ZINC001360140663 1065038538 /nfs/dbraw/zinc/03/85/38/1065038538.db2.gz IJSPVOLXJMBKAR-OAQYLSRUSA-N 1 0 474.491 4.792 20 0 JJADRO O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001435875724 1065039111 /nfs/dbraw/zinc/03/91/11/1065039111.db2.gz MNESJVIYQGATDA-IBGZPJMESA-N 1 0 453.435 4.886 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360141554 1065040263 /nfs/dbraw/zinc/04/02/63/1065040263.db2.gz QJKWQBPMKPBRQS-LEWJYISDSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360141559 1065040408 /nfs/dbraw/zinc/04/04/08/1065040408.db2.gz QJKWQBPMKPBRQS-RTWAWAEBSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001360141736 1065040821 /nfs/dbraw/zinc/04/08/21/1065040821.db2.gz RRLBSJIEIFIBAT-GMAHTHKFSA-N 1 0 469.674 4.500 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360142152 1065041726 /nfs/dbraw/zinc/04/17/26/1065041726.db2.gz UKLVHZKHSMCXTJ-YADHBBJMSA-N 1 0 459.704 4.835 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360143394 1065043952 /nfs/dbraw/zinc/04/39/52/1065043952.db2.gz GBJCPQOYVVHDTN-LJQANCHMSA-N 1 0 491.080 4.774 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360143393 1065043985 /nfs/dbraw/zinc/04/39/85/1065043985.db2.gz GBJCPQOYVVHDTN-IBGZPJMESA-N 1 0 491.080 4.774 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(C3(c4ccccc4)CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360143623 1065044678 /nfs/dbraw/zinc/04/46/78/1065044678.db2.gz KCALFERVPAFIQL-UHFFFAOYSA-N 1 0 496.700 4.536 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(Cl)c2)CC1 ZINC001360143779 1065044788 /nfs/dbraw/zinc/04/47/88/1065044788.db2.gz MCRCZEYLXQMFRE-UHFFFAOYSA-N 1 0 491.865 4.668 20 0 JJADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC001435887846 1065045298 /nfs/dbraw/zinc/04/52/98/1065045298.db2.gz CFUPORUMYWBKOH-UHFFFAOYSA-N 1 0 459.306 4.681 20 0 JJADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc2cc(Br)ccc2s1 ZINC001435889847 1065046941 /nfs/dbraw/zinc/04/69/41/1065046941.db2.gz MZWDGDHSCIWQNZ-LJQANCHMSA-N 1 0 459.409 4.685 20 0 JJADRO CC(C)n1nc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC(C)(C)C)c2ccccc2c1=O ZINC001360144668 1065046986 /nfs/dbraw/zinc/04/69/86/1065046986.db2.gz RSVTWBCFYPHGCO-UHFFFAOYSA-N 1 0 493.700 4.983 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001360146294 1065048430 /nfs/dbraw/zinc/04/84/30/1065048430.db2.gz IGOOMJCXSCLEAK-HSZRJFAPSA-N 1 0 490.549 4.806 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001360146572 1065048574 /nfs/dbraw/zinc/04/85/74/1065048574.db2.gz PDTGHQVYTBGAJE-UHFFFAOYSA-N 1 0 467.580 4.777 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCCOC2)CC1 ZINC001360146931 1065049261 /nfs/dbraw/zinc/04/92/61/1065049261.db2.gz ALKWAMUKZVCEGJ-SFHVURJKSA-N 1 0 482.456 4.511 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001360147303 1065050130 /nfs/dbraw/zinc/05/01/30/1065050130.db2.gz PSHVFSZVPKMKJJ-KOSHJBKYSA-N 1 0 496.483 4.636 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C)CCC2)CC1 ZINC001360149212 1065052429 /nfs/dbraw/zinc/05/24/29/1065052429.db2.gz GDRIPVQKEYMRRV-UHFFFAOYSA-N 1 0 450.400 4.567 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2ccco2)CC1 ZINC001360149636 1065052930 /nfs/dbraw/zinc/05/29/30/1065052930.db2.gz XCMVVABVXCDRMD-UHFFFAOYSA-N 1 0 464.795 4.533 20 0 JJADRO Cc1cc2cc(C(=O)NCC3([NH+]4CCSCC4)CCCCC3)oc2c(Br)c1 ZINC001360150461 1065053933 /nfs/dbraw/zinc/05/39/33/1065053933.db2.gz CKYMPSSVPPOANG-UHFFFAOYSA-N 1 0 451.430 4.985 20 0 JJADRO CC1(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001435902731 1065054174 /nfs/dbraw/zinc/05/41/74/1065054174.db2.gz UXKNJYCVLULATB-AREMUKBSSA-N 1 0 455.602 4.655 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@H](C)C1 ZINC001360150600 1065054419 /nfs/dbraw/zinc/05/44/19/1065054419.db2.gz HASMUDJKJKKEIQ-WBVHZDCISA-N 1 0 457.562 4.501 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)[C@H](C)C1 ZINC001360151023 1065055099 /nfs/dbraw/zinc/05/50/99/1065055099.db2.gz PSUVXLOKQQIBRT-QAPCUYQASA-N 1 0 455.546 4.696 20 0 JJADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCCC(F)(F)F)C2)CC1 ZINC001360156089 1065057808 /nfs/dbraw/zinc/05/78/08/1065057808.db2.gz PXCBLYASSRGGMD-FQEVSTJZSA-N 1 0 484.998 4.546 20 0 JJADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(Br)cc1Br)[NH+](C)C ZINC001435922279 1065064695 /nfs/dbraw/zinc/06/46/95/1065064695.db2.gz IGUSGKQJHUTBKU-SCLBCKFNSA-N 1 0 454.206 4.941 20 0 JJADRO O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001435934111 1065070583 /nfs/dbraw/zinc/07/05/83/1065070583.db2.gz JHXUGTLLDMXAPI-MHZLTWQESA-N 1 0 456.586 4.930 20 0 JJADRO CSc1cccc(N(C(=O)Cc2ccc(F)c(Br)c2)C2CC[NH+](C)CC2)c1 ZINC001360192171 1065075780 /nfs/dbraw/zinc/07/57/80/1065075780.db2.gz PITVDZWZGUJMPK-UHFFFAOYSA-N 1 0 451.405 4.980 20 0 JJADRO CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001360207516 1065080577 /nfs/dbraw/zinc/08/05/77/1065080577.db2.gz FUUVIWWXUMXVCE-FGZHOGPDSA-N 1 0 463.647 4.851 20 0 JJADRO Cc1ccc(Br)cc1CC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC001360248301 1065098236 /nfs/dbraw/zinc/09/82/36/1065098236.db2.gz KENBTTOLFKUBLZ-UHFFFAOYSA-N 1 0 458.400 4.753 20 0 JJADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001435995855 1065098909 /nfs/dbraw/zinc/09/89/09/1065098909.db2.gz WOBJSFZNGLNARQ-HSZRJFAPSA-N 1 0 458.444 4.936 20 0 JJADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC001435994962 1065099005 /nfs/dbraw/zinc/09/90/05/1065099005.db2.gz NCIPJWBOXNILSH-OAQYLSRUSA-N 1 0 455.400 4.521 20 0 JJADRO O=C(Nc1cccc(OC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1)c1ccco1 ZINC001360252430 1065100394 /nfs/dbraw/zinc/10/03/94/1065100394.db2.gz JTKKOPMPKIJAKA-QHCPKHFHSA-N 1 0 458.436 4.892 20 0 JJADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2cccc(F)c2OC(F)(F)F)cc1 ZINC001360257771 1065103685 /nfs/dbraw/zinc/10/36/85/1065103685.db2.gz ZMQFOLZOYYOPNW-UHFFFAOYSA-N 1 0 453.436 4.791 20 0 JJADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001360275323 1065116535 /nfs/dbraw/zinc/11/65/35/1065116535.db2.gz DKWUUNSRLWQRNK-UHFFFAOYSA-N 1 0 457.397 4.818 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCCCNC(=O)OCc1ccccc1 ZINC001436018317 1065116675 /nfs/dbraw/zinc/11/66/75/1065116675.db2.gz WOSSGDHVFBZLAL-XMMPIXPASA-N 1 0 451.611 4.500 20 0 JJADRO CCCc1c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001360294069 1065128852 /nfs/dbraw/zinc/12/88/52/1065128852.db2.gz BTXMCJPSDXPORC-UHFFFAOYSA-N 1 0 451.659 4.854 20 0 JJADRO CC(C)NC(=O)Nc1ccc(Cn2c(C(C)C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001360301689 1065134304 /nfs/dbraw/zinc/13/43/04/1065134304.db2.gz FNXMXYMOBFDPEU-UHFFFAOYSA-N 1 0 469.678 4.538 20 0 JJADRO COc1ccccc1Oc1ccc(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001360303891 1065137187 /nfs/dbraw/zinc/13/71/87/1065137187.db2.gz PUGCIMRDFLIODI-UHFFFAOYSA-N 1 0 459.590 4.706 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCS2)CC1 ZINC001360304771 1065138506 /nfs/dbraw/zinc/13/85/06/1065138506.db2.gz DNEXADYAJITTAP-UTKZUKDTSA-N 1 0 464.079 4.934 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCS2)CC1 ZINC001360304769 1065138548 /nfs/dbraw/zinc/13/85/48/1065138548.db2.gz DNEXADYAJITTAP-LAUBAEHRSA-N 1 0 464.079 4.934 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOCC(F)F)CC1 ZINC001360305090 1065139457 /nfs/dbraw/zinc/13/94/57/1065139457.db2.gz ITZKXQYXTREAGM-UHFFFAOYSA-N 1 0 476.399 4.891 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCCS2)CC1 ZINC001360305373 1065139937 /nfs/dbraw/zinc/13/99/37/1065139937.db2.gz OALKBWQMPHEHQW-GOSISDBHSA-N 1 0 452.043 4.990 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001360305556 1065140707 /nfs/dbraw/zinc/14/07/07/1065140707.db2.gz VJHCFSDVUYQTGI-QHCPKHFHSA-N 1 0 478.037 4.674 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C(C)C)CC2)CC1 ZINC001360308149 1065143157 /nfs/dbraw/zinc/14/31/57/1065143157.db2.gz CFXWEZPUMALMGS-UHFFFAOYSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001360309162 1065144551 /nfs/dbraw/zinc/14/45/51/1065144551.db2.gz SDGOQFRIWHOVTH-RBBKRZOGSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001360309863 1065145890 /nfs/dbraw/zinc/14/58/90/1065145890.db2.gz PVSBBDXUZVRDGF-HOYKHHGWSA-N 1 0 478.106 4.742 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001360309937 1065146400 /nfs/dbraw/zinc/14/64/00/1065146400.db2.gz SKIRDBPCBVSLJP-OALUTQOASA-N 1 0 476.065 4.681 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 ZINC001360314793 1065149344 /nfs/dbraw/zinc/14/93/44/1065149344.db2.gz UEFAYROCLXPXQV-NFBKMPQASA-N 1 0 455.643 4.756 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)c3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320661 1065157259 /nfs/dbraw/zinc/15/72/59/1065157259.db2.gz DFQBWLBOTBOURB-LXFBAYGMSA-N 1 0 483.701 4.681 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001360324302 1065162708 /nfs/dbraw/zinc/16/27/08/1065162708.db2.gz NKAHHGMIOCAUHT-DVECYGJZSA-N 1 0 496.121 4.790 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC[N@H+](C)C2CCCC2)CCOC1 ZINC001360324350 1065163747 /nfs/dbraw/zinc/16/37/47/1065163747.db2.gz OBQNIVZBSNBFDT-VWLOTQADSA-N 1 0 494.055 4.622 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2CC[NH+]2CCCCCC2)CCOC1 ZINC001360324926 1065165730 /nfs/dbraw/zinc/16/57/30/1065165730.db2.gz VDELAXPWADDMKZ-QHCPKHFHSA-N 1 0 482.094 4.546 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)CC3CCCCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001360325791 1065168113 /nfs/dbraw/zinc/16/81/13/1065168113.db2.gz MGOHTVKYVCZREX-IGKIAQTJSA-N 1 0 487.664 4.777 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC[NH+]2CCCCC2)CCOC1 ZINC001360329623 1065172324 /nfs/dbraw/zinc/17/23/24/1065172324.db2.gz ASQYNILNSIVXEO-NVQXNPDNSA-N 1 0 461.695 4.600 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1C(F)(F)F ZINC001436094778 1065176474 /nfs/dbraw/zinc/17/64/74/1065176474.db2.gz FGBPYFRLMMPXPJ-DEOSSOPVSA-N 1 0 456.512 4.842 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(C)(C)Oc4ccccc43)c(OCC)c2)CC1 ZINC001436101085 1065180662 /nfs/dbraw/zinc/18/06/62/1065180662.db2.gz HVDHUMGZDLEQSI-JOCHJYFZSA-N 1 0 451.611 4.901 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@H](C)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)CCOC1 ZINC001360336784 1065185650 /nfs/dbraw/zinc/18/56/50/1065185650.db2.gz YALKWIFECNMNCZ-MVOZIGHISA-N 1 0 483.701 4.690 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC001360340557 1065190162 /nfs/dbraw/zinc/19/01/62/1065190162.db2.gz URYUKTXVKDTRTM-UHFFFAOYSA-N 1 0 459.590 4.661 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@H](C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@@H]2c2cccs2)cc1 ZINC001436116029 1065190383 /nfs/dbraw/zinc/19/03/83/1065190383.db2.gz OOTQDVGGDPELQB-XUZZJYLKSA-N 1 0 453.652 4.779 20 0 JJADRO CC(C)(CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)C[NH+]1CCCC1 ZINC001436116365 1065191039 /nfs/dbraw/zinc/19/10/39/1065191039.db2.gz QVXZDKQMAYBXQX-UHFFFAOYSA-N 1 0 450.623 4.552 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CCOC1 ZINC001360345758 1065195061 /nfs/dbraw/zinc/19/50/61/1065195061.db2.gz NJVHIXKLOLKOLQ-ZRCGQRJVSA-N 1 0 487.611 4.533 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360348006 1065195788 /nfs/dbraw/zinc/19/57/88/1065195788.db2.gz QVRSAKXXSBKHRX-DEOSSOPVSA-N 1 0 496.121 4.640 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001436127372 1065200530 /nfs/dbraw/zinc/20/05/30/1065200530.db2.gz HREKZSGJZLQQHE-APWZRJJASA-N 1 0 459.553 4.850 20 0 JJADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360355320 1065204783 /nfs/dbraw/zinc/20/47/83/1065204783.db2.gz RYBMZOVJEODXGK-UHFFFAOYSA-N 1 0 451.995 4.924 20 0 JJADRO CCc1c(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cnn1-c1ccc(Cl)cc1 ZINC001436135547 1065206911 /nfs/dbraw/zinc/20/69/11/1065206911.db2.gz PJXURRFICYIAOV-UHFFFAOYSA-N 1 0 452.002 4.629 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001360364146 1065221105 /nfs/dbraw/zinc/22/11/05/1065221105.db2.gz JWFSTRCCOKTWKO-NRFANRHFSA-N 1 0 464.658 4.807 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001360365449 1065223348 /nfs/dbraw/zinc/22/33/48/1065223348.db2.gz USMWWAPXQDZJPJ-QFIPXVFZSA-N 1 0 457.022 4.623 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001545895849 1065226291 /nfs/dbraw/zinc/22/62/91/1065226291.db2.gz GVGYPVBCAUGCBN-JOCHJYFZSA-N 1 0 480.701 4.857 20 0 JJADRO CC(C)OCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001360377164 1065238093 /nfs/dbraw/zinc/23/80/93/1065238093.db2.gz ZGCMZROYYUHGTJ-DLBZAZTESA-N 1 0 482.492 4.647 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2csc(N(C)c3ccccc3)n2)c1 ZINC001436197307 1065244881 /nfs/dbraw/zinc/24/48/81/1065244881.db2.gz XNUVTVQJSATQPH-UHFFFAOYSA-N 1 0 452.580 4.662 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197536 1065244916 /nfs/dbraw/zinc/24/49/16/1065244916.db2.gz JPAPDTDVNQZQLZ-FGZHOGPDSA-N 1 0 450.410 4.760 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197599 1065245454 /nfs/dbraw/zinc/24/54/54/1065245454.db2.gz KKLAFHWXFYJMFM-OHUGHZGNSA-N 1 0 458.046 4.762 20 0 JJADRO CC(C)OCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001360383335 1065245690 /nfs/dbraw/zinc/24/56/90/1065245690.db2.gz QIYYUJLEQQMCHZ-RBBKRZOGSA-N 1 0 476.065 4.951 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001360387116 1065250970 /nfs/dbraw/zinc/25/09/70/1065250970.db2.gz ABRMPPXVYTXXBR-QGZVFWFLSA-N 1 0 453.892 4.777 20 0 JJADRO CC(C)OCCCn1c(-c2cccnc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360387009 1065251218 /nfs/dbraw/zinc/25/12/18/1065251218.db2.gz WUZKCBYDHXNWPO-QFIPXVFZSA-N 1 0 454.663 4.636 20 0 JJADRO CC(C)OCCCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001360386756 1065251288 /nfs/dbraw/zinc/25/12/88/1065251288.db2.gz NUXWKAWODZFKNO-LADGPHEKSA-N 1 0 464.658 4.588 20 0 JJADRO C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387221 1065251818 /nfs/dbraw/zinc/25/18/18/1065251818.db2.gz DATARZNEMVHLCK-DKXPKDADSA-N 1 0 459.512 4.914 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001360387496 1065251927 /nfs/dbraw/zinc/25/19/27/1065251927.db2.gz IXRDGNMGKCNIAE-UXHICEINSA-N 1 0 451.464 4.521 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001360387497 1065252134 /nfs/dbraw/zinc/25/21/34/1065252134.db2.gz IXRDGNMGKCNIAE-VQTJNVASSA-N 1 0 451.464 4.521 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001360388416 1065253145 /nfs/dbraw/zinc/25/31/45/1065253145.db2.gz TZVVLNBSJDRZDX-SANMLTNESA-N 1 0 455.602 4.890 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001436210083 1065253083 /nfs/dbraw/zinc/25/30/83/1065253083.db2.gz UCPZDQSUVHOYPJ-ZEQRLZLVSA-N 1 0 451.611 4.720 20 0 JJADRO CC(C)OCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360394232 1065258680 /nfs/dbraw/zinc/25/86/80/1065258680.db2.gz NGAPKNINWVHTDG-UHFFFAOYSA-N 1 0 484.472 4.900 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCCS2)CC1 ZINC001360409453 1065272513 /nfs/dbraw/zinc/27/25/13/1065272513.db2.gz IDYRADBBVBNSHW-LJQANCHMSA-N 1 0 482.069 4.570 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001360409619 1065273411 /nfs/dbraw/zinc/27/34/11/1065273411.db2.gz NYOCVXAQLUEGJP-ZJSXRUAMSA-N 1 0 490.092 4.597 20 0 JJADRO CCc1nc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001360412689 1065275754 /nfs/dbraw/zinc/27/57/54/1065275754.db2.gz XCYSDNALADNFIX-QGZVFWFLSA-N 1 0 458.393 4.531 20 0 JJADRO CC(C)SCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001360416760 1065279942 /nfs/dbraw/zinc/27/99/42/1065279942.db2.gz KVQLMUXFIDORNB-LJQANCHMSA-N 1 0 465.614 4.753 20 0 JJADRO CC(C)SCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001360417481 1065281526 /nfs/dbraw/zinc/28/15/26/1065281526.db2.gz WYHLYURBFYVZOO-UHFFFAOYSA-N 1 0 469.655 4.789 20 0 JJADRO CC(C)SCCn1c(CCc2ccccc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001360423002 1065290043 /nfs/dbraw/zinc/29/00/43/1065290043.db2.gz NGQLYVKRSDPJQC-UHFFFAOYSA-N 1 0 455.716 4.907 20 0 JJADRO CC(C)[C@@H]1C[C@H]1n1c(-c2ccc(Br)s2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360424847 1065293786 /nfs/dbraw/zinc/29/37/86/1065293786.db2.gz LOKPRQFSSIWJFR-JKSUJKDBSA-N 1 0 452.466 4.907 20 0 JJADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436336458 1065297578 /nfs/dbraw/zinc/29/75/78/1065297578.db2.gz OXPFWXFTGVVJNP-REWPJTCUSA-N 1 0 457.659 4.639 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCCCC1 ZINC001360428189 1065300209 /nfs/dbraw/zinc/30/02/09/1065300209.db2.gz FPWIZESDVCGVBN-INIZCTEOSA-N 1 0 460.960 4.955 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CC2CCCC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001360428348 1065300733 /nfs/dbraw/zinc/30/07/33/1065300733.db2.gz ICDKOMCRCRZEKE-HXUWFJFHSA-N 1 0 488.671 4.760 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCC1 ZINC001360428393 1065300787 /nfs/dbraw/zinc/30/07/87/1065300787.db2.gz INBHOEGDRSXVQX-AWEZNQCLSA-N 1 0 493.400 4.996 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCCOC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360429370 1065304282 /nfs/dbraw/zinc/30/42/82/1065304282.db2.gz UWXLGLWDBYDKRJ-OALUTQOASA-N 1 0 461.601 4.912 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@H]3c3ccc(Cl)cc3F)CC2)cc1 ZINC001436369865 1065304494 /nfs/dbraw/zinc/30/44/94/1065304494.db2.gz SIJNFGWIGDUJIP-GMAHTHKFSA-N 1 0 457.977 4.712 20 0 JJADRO CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001436382687 1065306525 /nfs/dbraw/zinc/30/65/25/1065306525.db2.gz NYYFTRTUSGGSID-UHFFFAOYSA-N 1 0 451.611 4.838 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)C(C)C ZINC001360431247 1065306860 /nfs/dbraw/zinc/30/68/60/1065306860.db2.gz BXLKTFNYOBXLFN-IBGZPJMESA-N 1 0 456.585 4.858 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1)C(C)C ZINC001360432212 1065308795 /nfs/dbraw/zinc/30/87/95/1065308795.db2.gz NZBWQWUMTCTCGV-PZJWPPBQSA-N 1 0 466.630 4.682 20 0 JJADRO Cc1cccc2cc(C(=O)Nc3ccc(NC(=O)NC4CC[NH+](C)CC4)cc3)c(Cl)nc12 ZINC001360431898 1065308822 /nfs/dbraw/zinc/30/88/22/1065308822.db2.gz HQDJAHCEVPACOF-UHFFFAOYSA-N 1 0 451.958 4.665 20 0 JJADRO C[C@H](c1cc2ccccc2o1)N(C)c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001360433734 1065313345 /nfs/dbraw/zinc/31/33/45/1065313345.db2.gz WYEPPWXDLJTORP-LJQANCHMSA-N 1 0 453.631 4.921 20 0 JJADRO COC(=O)c1ccc(Cl)c(C(=O)N2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)c1 ZINC001436434444 1065317922 /nfs/dbraw/zinc/31/79/22/1065317922.db2.gz WRPLLDUIEZLFKO-JOCHJYFZSA-N 1 0 457.014 4.932 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360440494 1065324180 /nfs/dbraw/zinc/32/41/80/1065324180.db2.gz SMUJLOYENSBOOX-VQLRFDHRSA-N 1 0 494.690 4.639 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CC[NH+]1CCCCCC1 ZINC001360442500 1065328083 /nfs/dbraw/zinc/32/80/83/1065328083.db2.gz OGZKQHMFZYISMX-OGPYBGEISA-N 1 0 485.723 4.741 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(I)cc1OC ZINC001436481144 1065330497 /nfs/dbraw/zinc/33/04/97/1065330497.db2.gz XXKBXKJSNKQUNP-IEBWSBKVSA-N 1 0 478.374 4.787 20 0 JJADRO C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cccn2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360443864 1065330598 /nfs/dbraw/zinc/33/05/98/1065330598.db2.gz ITHXSAVEEDMIPF-YADARESESA-N 1 0 450.631 4.697 20 0 JJADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360444478 1065331994 /nfs/dbraw/zinc/33/19/94/1065331994.db2.gz VQAZYZLEDYTDKM-KNQAVFIVSA-N 1 0 494.640 4.917 20 0 JJADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360445421 1065333151 /nfs/dbraw/zinc/33/31/51/1065333151.db2.gz BTJHDFNVWLAUEM-QPPBQGQZSA-N 1 0 482.717 4.742 20 0 JJADRO CCC[C@@H]1CN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC[N@@H+]1CCOC ZINC001545898892 1065333228 /nfs/dbraw/zinc/33/32/28/1065333228.db2.gz DDYKFQMWNSDIQF-LJQANCHMSA-N 1 0 451.542 4.721 20 0 JJADRO C[C@@H](c1ccccc1)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1CCCC1 ZINC001360447826 1065337342 /nfs/dbraw/zinc/33/73/42/1065337342.db2.gz DYMWFVCVBRMHPE-SFHVURJKSA-N 1 0 471.447 4.729 20 0 JJADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360448787 1065340065 /nfs/dbraw/zinc/34/00/65/1065340065.db2.gz XGCBRQDMVSNXAO-JOCHJYFZSA-N 1 0 482.717 4.645 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360450400 1065341143 /nfs/dbraw/zinc/34/11/43/1065341143.db2.gz LUCMWOOEICZGNZ-AGILITTLSA-N 1 0 496.700 4.930 20 0 JJADRO C[C@@H](c1ccccc1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360451240 1065343677 /nfs/dbraw/zinc/34/36/77/1065343677.db2.gz XWYQADUPZVBUEE-RDPSFJRHSA-N 1 0 496.700 4.930 20 0 JJADRO C[C@@H](c1ccccc1F)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1([NH+](C)C)CCC1 ZINC001360451919 1065344789 /nfs/dbraw/zinc/34/47/89/1065344789.db2.gz CMAIIPKNWAWUPA-INIZCTEOSA-N 1 0 489.437 4.867 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCCCCC1 ZINC001360454364 1065351346 /nfs/dbraw/zinc/35/13/46/1065351346.db2.gz IISQBIMRCCQBHP-IBGZPJMESA-N 1 0 485.032 4.528 20 0 JJADRO CCc1nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1-c1ccccc1Cl ZINC001360459515 1065361147 /nfs/dbraw/zinc/36/11/47/1065361147.db2.gz JNSFUMNJAMTYET-UYAOXDASSA-N 1 0 452.002 4.608 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001360461461 1065367205 /nfs/dbraw/zinc/36/72/05/1065367205.db2.gz VHVZCTNBXWPGOT-QFZRFWILSA-N 1 0 495.668 4.976 20 0 JJADRO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC001436567009 1065368469 /nfs/dbraw/zinc/36/84/69/1065368469.db2.gz NGBFXJYZUIADCT-OAQYLSRUSA-N 1 0 454.574 4.798 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001360461557 1065368364 /nfs/dbraw/zinc/36/83/64/1065368364.db2.gz XINWJSNJFFCJPN-XLIONFOSSA-N 1 0 496.612 4.502 20 0 JJADRO C[C@H](c1ccsc1)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001360465927 1065375259 /nfs/dbraw/zinc/37/52/59/1065375259.db2.gz DKJLLWKENNMYIC-HXUWFJFHSA-N 1 0 458.720 4.642 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3nc2-c2ccccc2)c1 ZINC001436581322 1065380353 /nfs/dbraw/zinc/38/03/53/1065380353.db2.gz YYAFRLCTLBGEOX-UHFFFAOYSA-N 1 0 455.562 4.622 20 0 JJADRO C[C@H](c1nccs1)N1CCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001360468212 1065383792 /nfs/dbraw/zinc/38/37/92/1065383792.db2.gz ZKHODXGTDDWXMK-OAQYLSRUSA-N 1 0 473.735 4.572 20 0 JJADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C(F)(F)c1ccc(Br)cc1 ZINC001436597148 1065390722 /nfs/dbraw/zinc/39/07/22/1065390722.db2.gz DSDCXWPLHSUAFB-SFHVURJKSA-N 1 0 451.355 4.959 20 0 JJADRO COc1cccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1Cl ZINC001436632306 1065408304 /nfs/dbraw/zinc/40/83/04/1065408304.db2.gz VWFGEAJOBZIQNM-XZOQPEGZSA-N 1 0 452.957 4.815 20 0 JJADRO Cc1cc(I)cc(C(=O)N(C[C@@H](C)[NH+](C)C)c2c(C)cccc2C)c1 ZINC001436632868 1065408934 /nfs/dbraw/zinc/40/89/34/1065408934.db2.gz CLLSHYAJXKJDBS-QGZVFWFLSA-N 1 0 450.364 4.813 20 0 JJADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001436635462 1065409849 /nfs/dbraw/zinc/40/98/49/1065409849.db2.gz GIMRIJLEDJAZNF-QFIPXVFZSA-N 1 0 451.611 4.635 20 0 JJADRO C[C@@H](Cc1cccs1)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360501681 1065425829 /nfs/dbraw/zinc/42/58/29/1065425829.db2.gz VGKHBEGHDJKAIP-FQEVSTJZSA-N 1 0 452.672 4.839 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360501378 1065425889 /nfs/dbraw/zinc/42/58/89/1065425889.db2.gz SNWJUGHUKSGFMF-LJQANCHMSA-N 1 0 458.075 4.993 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1CC1([NH+](C)C)CCCCC1 ZINC001360503032 1065430743 /nfs/dbraw/zinc/43/07/43/1065430743.db2.gz GWYKWVHRVJYVIV-OAQYLSRUSA-N 1 0 464.658 4.711 20 0 JJADRO C[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001360504622 1065435824 /nfs/dbraw/zinc/43/58/24/1065435824.db2.gz ABPSVSHFDBWMAL-OAHLLOKOSA-N 1 0 499.379 4.945 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001360504783 1065436707 /nfs/dbraw/zinc/43/67/07/1065436707.db2.gz BXIBPDMGMRJRTK-LEWJYISDSA-N 1 0 480.682 4.684 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC001545901425 1065438177 /nfs/dbraw/zinc/43/81/77/1065438177.db2.gz MMXNXTLFKABUIT-UHFFFAOYSA-N 1 0 451.822 4.623 20 0 JJADRO C[C@H](CCn1c(-c2cc(Br)cn2C)nnc1N(C)OC1CCCC1)[NH+]1CCCCC1 ZINC001360505146 1065438973 /nfs/dbraw/zinc/43/89/73/1065438973.db2.gz IWXDIDOEHKFPQN-QGZVFWFLSA-N 1 0 479.467 4.621 20 0 JJADRO C[C@@H](CCn1c(-c2cc(Br)cn2C)nnc1N(C)OC1CCCC1)[NH+]1CCCCC1 ZINC001360505145 1065439134 /nfs/dbraw/zinc/43/91/34/1065439134.db2.gz IWXDIDOEHKFPQN-KRWDZBQOSA-N 1 0 479.467 4.621 20 0 JJADRO C[C@H](CCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1)[NH+]1CCCCC1 ZINC001360505698 1065442366 /nfs/dbraw/zinc/44/23/66/1065442366.db2.gz SOESXVKMUVTWSE-ZSLJNNDZSA-N 1 0 480.682 4.539 20 0 JJADRO C[C@@H](CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360505799 1065442405 /nfs/dbraw/zinc/44/24/05/1065442405.db2.gz VLIWPTDRTZAMFP-QFBILLFUSA-N 1 0 471.955 4.631 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360509089 1065449027 /nfs/dbraw/zinc/44/90/27/1065449027.db2.gz NJZPKEWDAMTDHE-ICSRJNTNSA-N 1 0 457.585 4.953 20 0 JJADRO C[C@@H](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1)[NH+]1CCCCC1 ZINC001360509998 1065451554 /nfs/dbraw/zinc/45/15/54/1065451554.db2.gz BUWWFQXJIJHHAI-FDFHNCONSA-N 1 0 488.721 4.940 20 0 JJADRO C[C@H](CCn1c(N2CCC(OC[C@@H]3CCOC3)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360510224 1065452385 /nfs/dbraw/zinc/45/23/85/1065452385.db2.gz GQPPPDUZVFJGDQ-ISKFKSNPSA-N 1 0 483.701 4.508 20 0 JJADRO C[C@@H](CCn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360510263 1065453390 /nfs/dbraw/zinc/45/33/90/1065453390.db2.gz HCJNWCUOKMRLLD-JTHBVZDNSA-N 1 0 498.716 4.837 20 0 JJADRO C[C@H](CCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC001360510239 1065453517 /nfs/dbraw/zinc/45/35/17/1065453517.db2.gz GTABPNCVZDOSPE-NHCUHLMSSA-N 1 0 450.606 4.865 20 0 JJADRO C[C@@H](CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CO)CC1)[NH+]1CCCCC1 ZINC001360510347 1065454425 /nfs/dbraw/zinc/45/44/25/1065454425.db2.gz IRSDKHHBCKEPHB-QFIPXVFZSA-N 1 0 483.701 4.628 20 0 JJADRO C[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360510952 1065455471 /nfs/dbraw/zinc/45/54/71/1065455471.db2.gz RXCCZZXNKKITOJ-IBGZPJMESA-N 1 0 464.580 4.697 20 0 JJADRO CC(C)c1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360513824 1065462619 /nfs/dbraw/zinc/46/26/19/1065462619.db2.gz ITYNOAPOPHIYGZ-VWNXMTODSA-N 1 0 498.716 4.863 20 0 JJADRO C[C@H](CCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360514027 1065464418 /nfs/dbraw/zinc/46/44/18/1065464418.db2.gz MFIVEWADWCCOBD-IFMALSPDSA-N 1 0 484.689 4.590 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001545902697 1065466799 /nfs/dbraw/zinc/46/67/99/1065466799.db2.gz VQYQWSUXUJKZKF-XMMPIXPASA-N 1 0 484.664 4.799 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001360514552 1065467471 /nfs/dbraw/zinc/46/74/71/1065467471.db2.gz VXPDLBOXPSHCJU-LJQANCHMSA-N 1 0 491.080 4.632 20 0 JJADRO C[C@H](CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360514717 1065469158 /nfs/dbraw/zinc/46/91/58/1065469158.db2.gz YGSMRWZIQGTXQR-KJXAQDMKSA-N 1 0 465.646 4.584 20 0 JJADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001360515400 1065473301 /nfs/dbraw/zinc/47/33/01/1065473301.db2.gz HSOIXKJGSVUXOG-FGZHOGPDSA-N 1 0 488.721 4.751 20 0 JJADRO O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001436936420 1065476730 /nfs/dbraw/zinc/47/67/30/1065476730.db2.gz RMYRIRCUEBQAAG-BEFAXECRSA-N 1 0 464.201 4.558 20 0 JJADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)c2ccc(F)cc2n1 ZINC001436957663 1065480258 /nfs/dbraw/zinc/48/02/58/1065480258.db2.gz ADZKPPLOQTZUNR-UHFFFAOYSA-N 1 0 459.363 4.695 20 0 JJADRO C[C@@H](CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCC[C@H]1C)c1nccs1 ZINC001360519285 1065485264 /nfs/dbraw/zinc/48/52/64/1065485264.db2.gz KKEYTXINBJIARR-DLBZAZTESA-N 1 0 476.597 4.727 20 0 JJADRO C[C@H](CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCCC1)c1nccs1 ZINC001360519692 1065489080 /nfs/dbraw/zinc/48/90/80/1065489080.db2.gz RNCGGRUIOQAFLT-OAHLLOKOSA-N 1 0 493.450 4.639 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001545903766 1065490981 /nfs/dbraw/zinc/49/09/81/1065490981.db2.gz HXSDVJRUQDBAFN-KNQAVFIVSA-N 1 0 472.703 4.864 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001545903767 1065491052 /nfs/dbraw/zinc/49/10/52/1065491052.db2.gz HXSDVJRUQDBAFN-SIKLNZKXSA-N 1 0 472.703 4.864 20 0 JJADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC001437003836 1065492018 /nfs/dbraw/zinc/49/20/18/1065492018.db2.gz AAYDHCUNJMZRMY-RUZDIDTESA-N 1 0 451.636 4.957 20 0 JJADRO C[C@H](CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1)c1nccs1 ZINC001360521684 1065496397 /nfs/dbraw/zinc/49/63/97/1065496397.db2.gz XXGSOYHNQUQYKI-ZHRRBRCNSA-N 1 0 477.103 4.732 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)o2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545904295 1065502093 /nfs/dbraw/zinc/50/20/93/1065502093.db2.gz ROACSHWONKUHOK-TXTKFYIRSA-N 1 0 484.689 4.807 20 0 JJADRO C[C@H](CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001360525378 1065502180 /nfs/dbraw/zinc/50/21/80/1065502180.db2.gz TWPHVSMMDJKPEW-FCEUIQTBSA-N 1 0 453.656 4.776 20 0 JJADRO C[C@H](CN(C)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+](C)C)CCCC1)c1nccs1 ZINC001360525831 1065502927 /nfs/dbraw/zinc/50/29/27/1065502927.db2.gz ACJZIOORZOYXOH-QGZVFWFLSA-N 1 0 474.625 4.718 20 0 JJADRO C[C@@H](CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1nccs1 ZINC001360529283 1065508953 /nfs/dbraw/zinc/50/89/53/1065508953.db2.gz FPGOSJHVPHPDHI-GHTZIAJQSA-N 1 0 486.661 4.813 20 0 JJADRO C[C@H](CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001360530269 1065510625 /nfs/dbraw/zinc/51/06/25/1065510625.db2.gz WAJOUUGKGKIHJV-JFTIXFDTSA-N 1 0 496.700 4.629 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)c1nccs1)[NH+](C)C ZINC001360530241 1065510644 /nfs/dbraw/zinc/51/06/44/1065510644.db2.gz VJJQMXBSOSYKEA-RBUKOAKNSA-N 1 0 470.687 4.801 20 0 JJADRO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=C(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360531488 1065513371 /nfs/dbraw/zinc/51/33/71/1065513371.db2.gz TYJVILJGBUBFSJ-SFHVURJKSA-N 1 0 485.076 4.527 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC2(C1)CCCCCC2)[NH+](C)C ZINC001360533800 1065514964 /nfs/dbraw/zinc/51/49/64/1065514964.db2.gz AWOIXCAOGRXMDS-GOSISDBHSA-N 1 0 476.463 4.587 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(Cl)s1)[N@H+](C)C1CC1 ZINC001360535470 1065517408 /nfs/dbraw/zinc/51/74/08/1065517408.db2.gz OARYMYLUIFJTEO-CYBMUJFWSA-N 1 0 497.894 4.880 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360536047 1065518111 /nfs/dbraw/zinc/51/81/11/1065518111.db2.gz KIHXOMYHEONWRS-LAUBAEHRSA-N 1 0 489.064 4.527 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001545905444 1065518532 /nfs/dbraw/zinc/51/85/32/1065518532.db2.gz BJKDOOFJQGWGHP-AMGIVPHBSA-N 1 0 470.706 4.644 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001545905445 1065518601 /nfs/dbraw/zinc/51/86/01/1065518601.db2.gz BJKDOOFJQGWGHP-CUNXSJBXSA-N 1 0 470.706 4.644 20 0 JJADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)cc1 ZINC001437227741 1065522585 /nfs/dbraw/zinc/52/25/85/1065522585.db2.gz UKFLZSRDELEQKV-UHFFFAOYSA-N 1 0 450.604 4.896 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001360541237 1065527443 /nfs/dbraw/zinc/52/74/43/1065527443.db2.gz JRQCADLQSQOUIJ-CYBMUJFWSA-N 1 0 487.929 4.568 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001360541304 1065527943 /nfs/dbraw/zinc/52/79/43/1065527943.db2.gz OHGBOXZDSDGOAI-TYNCELHUSA-N 1 0 494.787 4.946 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(OC(F)F)c1)[N@H+](C)C1CC1 ZINC001360542149 1065530746 /nfs/dbraw/zinc/53/07/46/1065530746.db2.gz RMPILWLIYFCIJR-HNNXBMFYSA-N 1 0 476.959 4.714 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001360542222 1065530817 /nfs/dbraw/zinc/53/08/17/1065530817.db2.gz YQULHHQZMCKDGR-HNNXBMFYSA-N 1 0 497.471 4.696 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[N@H+](C)C1CC1 ZINC001360544781 1065534859 /nfs/dbraw/zinc/53/48/59/1065534859.db2.gz PTASESHDZCBIMZ-AWEZNQCLSA-N 1 0 450.534 4.540 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001545906181 1065535524 /nfs/dbraw/zinc/53/55/24/1065535524.db2.gz SOAIQWTXCATKJH-WIOPSUGQSA-N 1 0 494.728 4.919 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)CCCc1ccccn1)[N@H+](C)C1CC1 ZINC001360545322 1065535966 /nfs/dbraw/zinc/53/59/66/1065535966.db2.gz ZFTFOIDHWXNSTE-GOSISDBHSA-N 1 0 483.458 4.654 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC3(c4ccccc4Br)CCC3)cc2)CC1 ZINC001437321902 1065537742 /nfs/dbraw/zinc/53/77/42/1065537742.db2.gz VHNPWHFTJVODNE-UHFFFAOYSA-N 1 0 456.428 4.789 20 0 JJADRO C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC001360549793 1065541915 /nfs/dbraw/zinc/54/19/15/1065541915.db2.gz ZDDHFOHCMBSMEB-KKSFZXQISA-N 1 0 487.421 4.732 20 0 JJADRO C[C@@H](Cn1c(C2CC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC001360555665 1065545903 /nfs/dbraw/zinc/54/59/03/1065545903.db2.gz WYTBSGJSQYGQPF-HNNXBMFYSA-N 1 0 475.481 4.997 20 0 JJADRO C[C@H](Cn1c(C2CC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360555978 1065546369 /nfs/dbraw/zinc/54/63/69/1065546369.db2.gz ZXRSRFQLOGPEDR-NFBKMPQASA-N 1 0 482.673 4.512 20 0 JJADRO C[C@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360559578 1065549174 /nfs/dbraw/zinc/54/91/74/1065549174.db2.gz JNEMWTISLYHEKY-LJQANCHMSA-N 1 0 497.581 4.970 20 0 JJADRO C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360559810 1065549845 /nfs/dbraw/zinc/54/98/45/1065549845.db2.gz NMBCIYRPLBFHCJ-HXUWFJFHSA-N 1 0 474.694 4.646 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)c3ccccc3)CC2)CC1 ZINC001360568157 1065559456 /nfs/dbraw/zinc/55/94/56/1065559456.db2.gz AXOJIHLDIJLHPQ-HSZRJFAPSA-N 1 0 466.718 4.665 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360568694 1065560603 /nfs/dbraw/zinc/56/06/03/1065560603.db2.gz FLNGOLNALMIZRB-QFIPXVFZSA-N 1 0 498.716 4.834 20 0 JJADRO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001360569298 1065562049 /nfs/dbraw/zinc/56/20/49/1065562049.db2.gz JLKYDGFLLRZGOY-HNNXBMFYSA-N 1 0 471.518 4.799 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(Br)cs1)[N@H+](C)C1CC1 ZINC001360569699 1065563295 /nfs/dbraw/zinc/56/32/95/1065563295.db2.gz JHECDIQOGRQCTF-CQSZACIVSA-N 1 0 454.482 4.810 20 0 JJADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001360574057 1065568138 /nfs/dbraw/zinc/56/81/38/1065568138.db2.gz YNVSEEQAXYAFOV-LJQANCHMSA-N 1 0 472.559 4.563 20 0 JJADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360574211 1065568306 /nfs/dbraw/zinc/56/83/06/1065568306.db2.gz BJYQVKLLLVJOMU-RCZVLFRGSA-N 1 0 476.669 4.568 20 0 JJADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC001360574930 1065570670 /nfs/dbraw/zinc/57/06/70/1065570670.db2.gz QFPPQPOHRUAQBD-DENIHFKCSA-N 1 0 472.559 4.563 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001437554723 1065573475 /nfs/dbraw/zinc/57/34/75/1065573475.db2.gz XMMUFWTVYGFMBB-TWJOJJKGSA-N 1 0 477.649 4.808 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCOC1)[N@H+](C)C1CC1 ZINC001360583620 1065581861 /nfs/dbraw/zinc/58/18/61/1065581861.db2.gz HBJLRUXETZPCKY-NHCUHLMSSA-N 1 0 469.674 4.500 20 0 JJADRO CCc1nc(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)nn1-c1c(Cl)cccc1Cl ZINC001437592141 1065582875 /nfs/dbraw/zinc/58/28/75/1065582875.db2.gz SZTJTPBAJSNNLJ-INIZCTEOSA-N 1 0 458.393 4.660 20 0 JJADRO CCc1nc(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)nn1-c1c(Cl)cccc1Cl ZINC001437592144 1065582980 /nfs/dbraw/zinc/58/29/80/1065582980.db2.gz SZTJTPBAJSNNLJ-MRXNPFEDSA-N 1 0 458.393 4.660 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360583924 1065583033 /nfs/dbraw/zinc/58/30/33/1065583033.db2.gz NOZLTASRVNUIGF-IERDGZPVSA-N 1 0 496.483 4.898 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360583925 1065583200 /nfs/dbraw/zinc/58/32/00/1065583200.db2.gz NOZLTASRVNUIGF-IIBYNOLFSA-N 1 0 496.483 4.898 20 0 JJADRO COc1cc(OC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1Br ZINC001437601151 1065583369 /nfs/dbraw/zinc/58/33/69/1065583369.db2.gz LPKLSTGYYXASRI-IBGZPJMESA-N 1 0 458.274 4.818 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)(C)CC1)[N@H+](C)C1CC1 ZINC001360584298 1065583692 /nfs/dbraw/zinc/58/36/92/1065583692.db2.gz UYMXUEJJQVJYEK-QGZVFWFLSA-N 1 0 476.463 4.729 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001437651142 1065588300 /nfs/dbraw/zinc/58/83/00/1065588300.db2.gz FYTMRFXTVSCMMV-OAHLLOKOSA-N 1 0 452.780 4.892 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(I)cc2Cl)c1 ZINC001360589360 1065593789 /nfs/dbraw/zinc/59/37/89/1065593789.db2.gz AQNHXYHIJSRVFL-UHFFFAOYSA-N 1 0 458.727 4.527 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360591245 1065598249 /nfs/dbraw/zinc/59/82/49/1065598249.db2.gz ZNDBFFPUOCINLQ-SBHAEUEKSA-N 1 0 474.694 4.705 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC001360591822 1065599441 /nfs/dbraw/zinc/59/94/41/1065599441.db2.gz KKDRQKDYRZNHQL-ROUUACIJSA-N 1 0 451.537 4.525 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C)C[NH+]1CCCC1 ZINC001360593462 1065603319 /nfs/dbraw/zinc/60/33/19/1065603319.db2.gz HLIONXOBWMGKPY-MSOLQXFVSA-N 1 0 496.483 4.900 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593919 1065604002 /nfs/dbraw/zinc/60/40/02/1065604002.db2.gz KOULRZCWLQWQCO-GHTZIAJQSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001360593969 1065604224 /nfs/dbraw/zinc/60/42/24/1065604224.db2.gz MQEQJILDXZMWJD-PGRDOPGGSA-N 1 0 496.483 4.757 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)C[NH+]1CCCC1 ZINC001360594757 1065605463 /nfs/dbraw/zinc/60/54/63/1065605463.db2.gz USOJGSCKUJBVNN-YADHBBJMSA-N 1 0 483.701 4.890 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594829 1065605499 /nfs/dbraw/zinc/60/54/99/1065605499.db2.gz RCWPDOPHAGGCOH-AOHZBQACSA-N 1 0 496.700 4.807 20 0 JJADRO C[C@@H](Cn1c(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)nnc1C(C)(C)C)C[NH+]1CCCC1 ZINC001360594902 1065605680 /nfs/dbraw/zinc/60/56/80/1065605680.db2.gz VUASTPAZYLLNFR-DYESRHJHSA-N 1 0 464.029 4.678 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2ccccn2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360596548 1065609070 /nfs/dbraw/zinc/60/90/70/1065609070.db2.gz BZVZCGXMUCBWRK-RBUKOAKNSA-N 1 0 454.569 4.938 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC001360596644 1065609865 /nfs/dbraw/zinc/60/98/65/1065609865.db2.gz DQNVAIASKUMACK-MSOLQXFVSA-N 1 0 466.457 4.847 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1cnccn1)C[NH+]1CCCCC1 ZINC001360596683 1065610577 /nfs/dbraw/zinc/61/05/77/1065610577.db2.gz FDEOPKNXLRWGLW-QFIPXVFZSA-N 1 0 475.685 4.834 20 0 JJADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)C[NH+]1CCCCC1 ZINC001360596935 1065611138 /nfs/dbraw/zinc/61/11/38/1065611138.db2.gz KFFNJFRSSBWWHM-QGZVFWFLSA-N 1 0 458.532 4.516 20 0 JJADRO CC(C)c1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360597158 1065612043 /nfs/dbraw/zinc/61/20/43/1065612043.db2.gz MDKCVYWZHHRSQI-RDPSFJRHSA-N 1 0 457.638 4.613 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360597168 1065612094 /nfs/dbraw/zinc/61/20/94/1065612094.db2.gz MJIQYZRVGDWXRD-QZTJIDSGSA-N 1 0 496.519 4.896 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597402 1065613750 /nfs/dbraw/zinc/61/37/50/1065613750.db2.gz OJEYYBNNNFOJLU-YESZJQIVSA-N 1 0 482.492 4.505 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC001360597383 1065613998 /nfs/dbraw/zinc/61/39/98/1065613998.db2.gz NZPVGLBAKPWBTA-FKBYEOEOSA-N 1 0 488.721 4.954 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360597589 1065614647 /nfs/dbraw/zinc/61/46/47/1065614647.db2.gz PWFSZKWLERQYJJ-QZTJIDSGSA-N 1 0 494.453 4.584 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597787 1065615375 /nfs/dbraw/zinc/61/53/75/1065615375.db2.gz RILWHZYHJOIDAS-YADHBBJMSA-N 1 0 498.691 4.585 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)C[NH+]2CCCCC2)CCS1 ZINC001360598115 1065616694 /nfs/dbraw/zinc/61/66/94/1065616694.db2.gz VMNDBQSOOHTABR-QUCCMNQESA-N 1 0 463.095 4.693 20 0 JJADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597969 1065616784 /nfs/dbraw/zinc/61/67/84/1065616784.db2.gz UCEGIVYLTCRPHN-GBESFXJTSA-N 1 0 479.641 4.999 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1)C[NH+]1CCCC1 ZINC001360598045 1065616792 /nfs/dbraw/zinc/61/67/92/1065616792.db2.gz UVKDSUYRRDTZAE-RTWAWAEBSA-N 1 0 474.694 4.708 20 0 JJADRO CC(C)c1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360598244 1065617340 /nfs/dbraw/zinc/61/73/40/1065617340.db2.gz VYSFHSXIHOWVQX-HXUWFJFHSA-N 1 0 460.066 4.665 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)C[NH+]1CCCCC1 ZINC001360598445 1065618449 /nfs/dbraw/zinc/61/84/49/1065618449.db2.gz BHUUGWUGKBKHMV-SJORKVTESA-N 1 0 486.608 4.753 20 0 JJADRO CC(C)c1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360598472 1065618484 /nfs/dbraw/zinc/61/84/84/1065618484.db2.gz YCNXUFSGSCONDG-MSOLQXFVSA-N 1 0 452.068 4.816 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360598553 1065618953 /nfs/dbraw/zinc/61/89/53/1065618953.db2.gz ZLKYCLWKPBDICY-OALUTQOASA-N 1 0 490.490 4.833 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCC3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001360599164 1065619957 /nfs/dbraw/zinc/61/99/57/1065619957.db2.gz LGIIKMCGGCOVFV-LEWJYISDSA-N 1 0 488.721 4.797 20 0 JJADRO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cc(Cl)ccn1)C[NH+]1CCCCC1 ZINC001360598885 1065619972 /nfs/dbraw/zinc/61/99/72/1065619972.db2.gz HBYUZTAABHUHNS-SFHVURJKSA-N 1 0 489.014 4.954 20 0 JJADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1cc(F)ccc1F)C[NH+]1CCCCC1 ZINC001360599275 1065620813 /nfs/dbraw/zinc/62/08/13/1065620813.db2.gz MZVINBGLIBHHEX-RTBURBONSA-N 1 0 456.585 4.881 20 0 JJADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1Br)C[NH+]1CCCCC1 ZINC001360599832 1065621494 /nfs/dbraw/zinc/62/14/94/1065621494.db2.gz XMPZBCQXJVOANP-FQEVSTJZSA-N 1 0 497.485 4.785 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc(Cc2ccccn2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360599708 1065621512 /nfs/dbraw/zinc/62/15/12/1065621512.db2.gz VNWVXLNDZCRCRA-LEWJYISDSA-N 1 0 450.606 4.722 20 0 JJADRO C[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1c(F)cccc1Cl)C[NH+]1CCCCC1 ZINC001360599469 1065621578 /nfs/dbraw/zinc/62/15/78/1065621578.db2.gz QDAFSCGTNYYVNP-SFHVURJKSA-N 1 0 456.997 4.891 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C)C[NH+]1CCCCC1 ZINC001360601574 1065624103 /nfs/dbraw/zinc/62/41/03/1065624103.db2.gz BVSCZIWHXXCCDW-RBUKOAKNSA-N 1 0 464.079 4.574 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1)C[NH+]1CCCCC1 ZINC001360601599 1065624632 /nfs/dbraw/zinc/62/46/32/1065624632.db2.gz CQKSYSCGEAOPIX-UNMCSNQZSA-N 1 0 486.661 4.702 20 0 JJADRO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(F)F)C1)C[NH+]1CCCCC1 ZINC001360602084 1065625435 /nfs/dbraw/zinc/62/54/35/1065625435.db2.gz MCTLUIRKQWAYGR-RBUKOAKNSA-N 1 0 465.564 4.600 20 0 JJADRO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(F)F)C1)C[NH+]1CCCCC1 ZINC001360602082 1065625452 /nfs/dbraw/zinc/62/54/52/1065625452.db2.gz MCTLUIRKQWAYGR-MOPGFXCFSA-N 1 0 465.564 4.600 20 0 JJADRO C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360601962 1065625504 /nfs/dbraw/zinc/62/55/04/1065625504.db2.gz KEJYPRRIBSDZTM-ISKFKSNPSA-N 1 0 486.749 4.512 20 0 JJADRO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360603048 1065627947 /nfs/dbraw/zinc/62/79/47/1065627947.db2.gz SLROFMTYTHBCPB-FDFHNCONSA-N 1 0 475.628 4.749 20 0 JJADRO C[C@H](Cn1c(N2CCO[C@H](c3ccc(F)cc3F)C2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603268 1065628002 /nfs/dbraw/zinc/62/80/02/1065628002.db2.gz SZJINLYQCJKMMF-AVRDEDQJSA-N 1 0 461.601 4.554 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001360602883 1065628138 /nfs/dbraw/zinc/62/81/38/1065628138.db2.gz DMHDZKIZBHPQBQ-ZWKOTPCHSA-N 1 0 491.608 4.774 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN(C)c1ccccc1)C[NH+]1CCCCC1 ZINC001360603613 1065628584 /nfs/dbraw/zinc/62/85/84/1065628584.db2.gz VYZGRFYYHVPUNX-SKBVVQJISA-N 1 0 496.744 4.891 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC=C(C(F)(F)F)CC1)C[NH+]1CCOCC1 ZINC001360604888 1065630647 /nfs/dbraw/zinc/63/06/47/1065630647.db2.gz ZYPAVSZLUNVMAX-IBGZPJMESA-N 1 0 491.602 4.910 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1)C[NH+]1CCOCC1 ZINC001360606182 1065631424 /nfs/dbraw/zinc/63/14/24/1065631424.db2.gz LKFIOTRYPDTFGW-JOCHJYFZSA-N 1 0 497.728 4.823 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001360607080 1065633569 /nfs/dbraw/zinc/63/35/69/1065633569.db2.gz HKRUPOQBBWENJT-LJQANCHMSA-N 1 0 491.080 4.680 20 0 JJADRO Cc1oc(Br)cc1C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438032926 1065655770 /nfs/dbraw/zinc/65/57/70/1065655770.db2.gz PJGWYXUCESXLLA-CQSZACIVSA-N 1 0 456.178 4.636 20 0 JJADRO Cc1cc(OC(F)F)c(C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)s1 ZINC001438031766 1065655932 /nfs/dbraw/zinc/65/59/32/1065655932.db2.gz HMOFEGRTSWLXHR-CQSZACIVSA-N 1 0 459.356 4.944 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)CCc2cncc3ccccc32)C1 ZINC001438033286 1065656971 /nfs/dbraw/zinc/65/69/71/1065656971.db2.gz MWGOGPYSDMUOIL-OAQYLSRUSA-N 1 0 452.396 4.840 20 0 JJADRO COC[C@@H](C)Oc1ccc(COC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001438081108 1065666295 /nfs/dbraw/zinc/66/62/95/1065666295.db2.gz YKIHHBYTBYJYKH-WZONZLPQSA-N 1 0 451.485 4.598 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)/C=C\c2ccco2)c1 ZINC001438095043 1065669888 /nfs/dbraw/zinc/66/98/88/1065669888.db2.gz OANOZKRWTRDLDD-XITLMJRVSA-N 1 0 452.382 4.944 20 0 JJADRO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC001360631230 1065680678 /nfs/dbraw/zinc/68/06/78/1065680678.db2.gz LXUDEJRXPOTVSB-HFZDXXHNSA-N 1 0 456.590 4.874 20 0 JJADRO C[C@@H](N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CC1)C(F)(F)F ZINC001360634011 1065688355 /nfs/dbraw/zinc/68/83/55/1065688355.db2.gz DKQCLKBIRWKJKA-MOPGFXCFSA-N 1 0 498.663 4.838 20 0 JJADRO O=C(Nc1cc(Br)ccc1CN1CC[NH+](Cc2ccccc2)CC1)C1=CCCC1 ZINC001438265672 1065704810 /nfs/dbraw/zinc/70/48/10/1065704810.db2.gz GHYWPAHVUNMHHT-UHFFFAOYSA-N 1 0 454.412 4.816 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCCCC2)C1 ZINC001360639079 1065706475 /nfs/dbraw/zinc/70/64/75/1065706475.db2.gz NANNIHFBWNDUBU-FYYLOGMGSA-N 1 0 488.721 4.626 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360639003 1065706484 /nfs/dbraw/zinc/70/64/84/1065706484.db2.gz MCPMQDFFMLBBEM-JTHBVZDNSA-N 1 0 490.737 4.871 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001360639192 1065706903 /nfs/dbraw/zinc/70/69/03/1065706903.db2.gz NPLKLWGGMVNMRL-HXUWFJFHSA-N 1 0 499.704 4.525 20 0 JJADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 ZINC001438317273 1065707946 /nfs/dbraw/zinc/70/79/46/1065707946.db2.gz CGQPUHNAUFHEJU-UHFFFAOYSA-N 1 0 452.382 4.611 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001438325336 1065709855 /nfs/dbraw/zinc/70/98/55/1065709855.db2.gz KVNNBLWRBNWGCU-MBSDFSHPSA-N 1 0 451.014 4.700 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001438325333 1065709924 /nfs/dbraw/zinc/70/99/24/1065709924.db2.gz KVNNBLWRBNWGCU-JPYJTQIMSA-N 1 0 451.014 4.700 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ccc(OCC(F)(F)F)o2)cc1 ZINC001438328980 1065710612 /nfs/dbraw/zinc/71/06/12/1065710612.db2.gz HKQHIYCPFPRSEV-LEWJYISDSA-N 1 0 474.479 4.627 20 0 JJADRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC001438338423 1065712258 /nfs/dbraw/zinc/71/22/58/1065712258.db2.gz WTHWDVKFLWTPOD-QFBILLFUSA-N 1 0 452.396 4.804 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)C(F)(F)c2c(F)cccc2F)cc1 ZINC001438340447 1065712356 /nfs/dbraw/zinc/71/23/56/1065712356.db2.gz SOYVXPLUPYESCP-NZQKXSOJSA-N 1 0 472.482 4.850 20 0 JJADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360641778 1065714805 /nfs/dbraw/zinc/71/48/05/1065714805.db2.gz NDMWTCLFJAYUJT-AWRGLXIESA-N 1 0 496.700 4.806 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001438356823 1065715790 /nfs/dbraw/zinc/71/57/90/1065715790.db2.gz IZAUUGYFZWOKKV-DEOSSOPVSA-N 1 0 451.611 4.886 20 0 JJADRO C[C@H](CCn1c(C2CCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360642766 1065716855 /nfs/dbraw/zinc/71/68/55/1065716855.db2.gz WIHPJHUJFOTSPQ-RTWAWAEBSA-N 1 0 488.721 4.940 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)cc1 ZINC001438396946 1065719132 /nfs/dbraw/zinc/71/91/32/1065719132.db2.gz AERUWTDQYJVJSK-AQBYWSEASA-N 1 0 465.594 4.660 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(N(C)CC2COC(C)(C)OC2)nnc1C(C)(C)C)c1ccccc1 ZINC001360645963 1065721596 /nfs/dbraw/zinc/72/15/96/1065721596.db2.gz MTTZKFKDUGOLAF-IBGZPJMESA-N 1 0 457.663 4.540 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001360646412 1065722112 /nfs/dbraw/zinc/72/21/12/1065722112.db2.gz PSTRBVKSUAEFFQ-ZIHSNCGMSA-N 1 0 469.674 4.900 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)/C=C\c2ccsc2C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001360658704 1065727485 /nfs/dbraw/zinc/72/74/85/1065727485.db2.gz OAQRNNLEMHBARL-IEODJVTJSA-N 1 0 451.514 4.585 20 0 JJADRO CCc1cc2c(CC(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@H+](C)C4)cc3)csc2s1 ZINC001360658269 1065727614 /nfs/dbraw/zinc/72/76/14/1065727614.db2.gz JRMAZWUFZACEAQ-IBGZPJMESA-N 1 0 455.649 4.873 20 0 JJADRO C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)C1 ZINC001360657829 1065727744 /nfs/dbraw/zinc/72/77/44/1065727744.db2.gz DFGKHKMJASCCMK-ZODMCCGTSA-N 1 0 457.659 4.947 20 0 JJADRO Cc1cccc2cc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@H+](C)C4)cc3)c(Cl)nc12 ZINC001360659048 1065728444 /nfs/dbraw/zinc/72/84/44/1065728444.db2.gz TZLIICVPVLMFKL-HXUWFJFHSA-N 1 0 450.970 4.615 20 0 JJADRO C[C@@H](O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001360731501 1065759476 /nfs/dbraw/zinc/75/94/76/1065759476.db2.gz DWQZAEKCQOAUAG-HXUWFJFHSA-N 1 0 467.683 4.590 20 0 JJADRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1cc(Cl)c(Br)cc1F ZINC001438881197 1065761579 /nfs/dbraw/zinc/76/15/79/1065761579.db2.gz GZWXTIKFGJPJJO-OAHLLOKOSA-N 1 0 452.755 4.778 20 0 JJADRO CCc1c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC001360735900 1065764049 /nfs/dbraw/zinc/76/40/49/1065764049.db2.gz ZJEQEXNOQJZVOU-WIYYLYMNSA-N 1 0 452.002 4.608 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360738099 1065767806 /nfs/dbraw/zinc/76/78/06/1065767806.db2.gz KALKKPWRLIZRBX-SFHVURJKSA-N 1 0 472.634 4.772 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360738552 1065769074 /nfs/dbraw/zinc/76/90/74/1065769074.db2.gz NQCGLZPRDKLMPP-DLBZAZTESA-N 1 0 451.537 4.523 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2nccs2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360739165 1065770333 /nfs/dbraw/zinc/77/03/33/1065770333.db2.gz QUWAKTBWNHBOHP-LJQANCHMSA-N 1 0 486.661 4.815 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360739734 1065771314 /nfs/dbraw/zinc/77/13/14/1065771314.db2.gz VWVAGBQMOXVETE-UWJYYQICSA-N 1 0 472.634 4.771 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)[C@@H]1c1cccs1 ZINC001360740318 1065773490 /nfs/dbraw/zinc/77/34/90/1065773490.db2.gz ADWGJUBEWTZUPF-CRAIPNDOSA-N 1 0 455.502 4.672 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC(C)(C)C[NH+](C)C ZINC001360741319 1065775485 /nfs/dbraw/zinc/77/54/85/1065775485.db2.gz OATFGZMSPYZCBH-INIZCTEOSA-N 1 0 469.527 4.844 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001360741897 1065776081 /nfs/dbraw/zinc/77/60/81/1065776081.db2.gz SODCYFSEWWCFQB-PMACEKPBSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)[C@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001360748549 1065790267 /nfs/dbraw/zinc/79/02/67/1065790267.db2.gz BGFJHSIRLNCHBU-NFBKMPQASA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001360749426 1065792193 /nfs/dbraw/zinc/79/21/93/1065792193.db2.gz DPDACBIRBINWIN-CZYKHXBRSA-N 1 0 473.637 4.825 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001360750672 1065795386 /nfs/dbraw/zinc/79/53/86/1065795386.db2.gz YNFXOTAJNQNIGR-DFBJGRDBSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360751172 1065797291 /nfs/dbraw/zinc/79/72/91/1065797291.db2.gz VXTJWKZHPOJXGM-GIHONLOASA-N 1 0 461.601 4.862 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccsc2)n1CCC[NH+]1CCC(O)CC1 ZINC001360753354 1065799262 /nfs/dbraw/zinc/79/92/62/1065799262.db2.gz BOMBCCWCNVLVRZ-SFHVURJKSA-N 1 0 490.073 4.616 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCOCC2)n1CC(C)(C)C[NH+](C)C ZINC001360753913 1065801565 /nfs/dbraw/zinc/80/15/65/1065801565.db2.gz LCBAEYNGIMYTID-GOSISDBHSA-N 1 0 464.054 4.522 20 0 JJADRO C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C ZINC001439227865 1065802425 /nfs/dbraw/zinc/80/24/25/1065802425.db2.gz ZOZFQDYSQMVSMH-CRAIPNDOSA-N 1 0 455.521 4.885 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1CCC[NH+]1CCCC1 ZINC001360754471 1065805125 /nfs/dbraw/zinc/80/51/25/1065805125.db2.gz VGADTFCGSKGPBL-KRWDZBQOSA-N 1 0 461.035 4.650 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1C[C@H](C1CC1)[NH+](C)C ZINC001360754466 1065805188 /nfs/dbraw/zinc/80/51/88/1065805188.db2.gz VDOIUECYRKQMGM-RDTXWAMCSA-N 1 0 459.944 4.800 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360754648 1065806513 /nfs/dbraw/zinc/80/65/13/1065806513.db2.gz YNJFWLXAAKCRGZ-UZUQRXQVSA-N 1 0 464.079 4.745 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360754647 1065806697 /nfs/dbraw/zinc/80/66/97/1065806697.db2.gz YNJFWLXAAKCRGZ-SBUREZEXSA-N 1 0 464.079 4.745 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001360756205 1065813723 /nfs/dbraw/zinc/81/37/23/1065813723.db2.gz QGYNDFGCLVWIFU-PZJWPPBQSA-N 1 0 490.092 4.791 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CC(F)(F)F ZINC001360758357 1065824401 /nfs/dbraw/zinc/82/44/01/1065824401.db2.gz QXFNBYMGNHLOLB-DLBZAZTESA-N 1 0 471.955 4.946 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[N@H+]1CC=CCC1 ZINC001360759196 1065828471 /nfs/dbraw/zinc/82/84/71/1065828471.db2.gz YWKBTFXQULIRLL-ZWKOTPCHSA-N 1 0 465.976 4.815 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001360760671 1065833048 /nfs/dbraw/zinc/83/30/48/1065833048.db2.gz QYSJMKKZVRSWLB-SFHVURJKSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC3(CCCCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001360760616 1065833414 /nfs/dbraw/zinc/83/34/14/1065833414.db2.gz PQVCVFLRKPBSGP-RBUKOAKNSA-N 1 0 462.038 4.561 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)o1 ZINC001439496677 1065834842 /nfs/dbraw/zinc/83/48/42/1065834842.db2.gz DJLFGXDTSANCFX-QGZVFWFLSA-N 1 0 459.562 4.604 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(Nc2cnn(C)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360762304 1065838588 /nfs/dbraw/zinc/83/85/88/1065838588.db2.gz DALGEMYMGGMSHY-KRWDZBQOSA-N 1 0 458.010 4.671 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(Nc2cnn(C)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360762305 1065838704 /nfs/dbraw/zinc/83/87/04/1065838704.db2.gz DALGEMYMGGMSHY-QGZVFWFLSA-N 1 0 458.010 4.671 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCSC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360762479 1065839403 /nfs/dbraw/zinc/83/94/03/1065839403.db2.gz GHSWEXPXUAKMHP-ILZDJORESA-N 1 0 475.659 4.863 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSCC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360763482 1065843303 /nfs/dbraw/zinc/84/33/03/1065843303.db2.gz WZZVHJRKVYGEMI-JXFKEZNVSA-N 1 0 478.087 4.989 20 0 JJADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601968 1065846721 /nfs/dbraw/zinc/84/67/21/1065846721.db2.gz WHVBABQOCUBHMY-FCHUYYIVSA-N 1 0 453.384 4.524 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC(F)(F)F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360765289 1065849034 /nfs/dbraw/zinc/84/90/34/1065849034.db2.gz OQKHHUFHHHOWAM-MRXNPFEDSA-N 1 0 457.516 4.820 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360765291 1065849109 /nfs/dbraw/zinc/84/91/09/1065849109.db2.gz OQXWGVUFORYYAO-DWLFOUALSA-N 1 0 487.645 4.927 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001360770063 1065864839 /nfs/dbraw/zinc/86/48/39/1065864839.db2.gz SFMJACONZGYIDF-SFHVURJKSA-N 1 0 490.027 4.589 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360770350 1065866073 /nfs/dbraw/zinc/86/60/73/1065866073.db2.gz XOMCDCHGONBBKQ-BEFAXECRSA-N 1 0 469.527 4.676 20 0 JJADRO C[C@@H]1[C@@H](C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001439758854 1065871743 /nfs/dbraw/zinc/87/17/43/1065871743.db2.gz VRVXSBSPHOPYTP-WCHJTNLRSA-N 1 0 477.649 4.806 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCOC(F)(F)F ZINC001360773806 1065872679 /nfs/dbraw/zinc/87/26/79/1065872679.db2.gz LRGVHXFOPFHLKR-SFHVURJKSA-N 1 0 499.553 4.938 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001360773973 1065872785 /nfs/dbraw/zinc/87/27/85/1065872785.db2.gz MRSPJSGXKXGUKV-FUPPJEDESA-N 1 0 473.637 4.683 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCc3ccc(Cl)nc3C2)n1CC(C)(C)C[NH+](C)C ZINC001360775389 1065877277 /nfs/dbraw/zinc/87/72/77/1065877277.db2.gz SUHHASCDWQWUCL-QGZVFWFLSA-N 1 0 487.023 4.756 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001360775545 1065878130 /nfs/dbraw/zinc/87/81/30/1065878130.db2.gz WAQBVLGVNYTIJM-RLSLOFABSA-N 1 0 475.678 4.867 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCCCC[NH+]1CCCC1 ZINC001360778811 1065885934 /nfs/dbraw/zinc/88/59/34/1065885934.db2.gz RRGVWRGFRCRGKQ-RTWAWAEBSA-N 1 0 473.637 4.827 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(Nc2cnn(C)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360780054 1065888304 /nfs/dbraw/zinc/88/83/04/1065888304.db2.gz DSYUODGCCICKGH-UWJYYQICSA-N 1 0 455.582 4.545 20 0 JJADRO CCC(C)(C)C1CCC2(C[C@H]2C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)CC1 ZINC001360782284 1065893421 /nfs/dbraw/zinc/89/34/21/1065893421.db2.gz YKYKKTNQGQDVCI-CBQRAPNFSA-N 1 0 455.687 4.908 20 0 JJADRO O=C(NCc1ccc(Br)cc1F)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001439944097 1065895300 /nfs/dbraw/zinc/89/53/00/1065895300.db2.gz VCQLHRQUGAVCNM-IBGZPJMESA-N 1 0 459.281 4.659 20 0 JJADRO CCOc1cc(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(OCC)c1OCC ZINC001440045471 1065906514 /nfs/dbraw/zinc/90/65/14/1065906514.db2.gz LDZPMIVKXHJFCJ-NHTMILBNSA-N 1 0 466.622 4.913 20 0 JJADRO CCCN(C(=O)[C@@H]1Cc2cc(Br)ccc2O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001440072230 1065908887 /nfs/dbraw/zinc/90/88/87/1065908887.db2.gz FFFJDYVFLQJWBC-QHCPKHFHSA-N 1 0 457.412 4.656 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(CCc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360808137 1065920946 /nfs/dbraw/zinc/92/09/46/1065920946.db2.gz HSUPYQNZBQWBRC-UHFFFAOYSA-N 1 0 463.592 4.964 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCSC(C)(C)C2)C1 ZINC001360808784 1065922037 /nfs/dbraw/zinc/92/20/37/1065922037.db2.gz UODQHAQRKZIAGD-UHFFFAOYSA-N 1 0 478.106 4.964 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001360809062 1065923247 /nfs/dbraw/zinc/92/32/47/1065923247.db2.gz ZWUUTNRYIJPBQQ-UHFFFAOYSA-N 1 0 499.025 4.795 20 0 JJADRO O=C(Nc1nn(CC(F)F)c2ccccc21)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001440205772 1065923533 /nfs/dbraw/zinc/92/35/33/1065923533.db2.gz COGVBGZTIKMLML-NRFANRHFSA-N 1 0 452.427 4.695 20 0 JJADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001440343858 1065931776 /nfs/dbraw/zinc/93/17/76/1065931776.db2.gz TUMKEMXNORVPMQ-OAQYLSRUSA-N 1 0 450.410 4.752 20 0 JJADRO CC(C)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCCCC1 ZINC001360819486 1065932344 /nfs/dbraw/zinc/93/23/44/1065932344.db2.gz YEGLMHXCFZKKTE-UHFFFAOYSA-N 1 0 493.494 4.694 20 0 JJADRO COc1cccc([C@@H](CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)[NH+]2CCCC2)c1 ZINC001440366422 1065933107 /nfs/dbraw/zinc/93/31/07/1065933107.db2.gz BQUJTQJEKISUNH-LJQANCHMSA-N 1 0 457.785 4.988 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)[NH+]2CCCC2)c1 ZINC001440372391 1065933691 /nfs/dbraw/zinc/93/36/91/1065933691.db2.gz MUUUXOBOSGSTNK-NRFANRHFSA-N 1 0 458.534 4.740 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)[NH+]2CCCC2)c1 ZINC001440373765 1065934091 /nfs/dbraw/zinc/93/40/91/1065934091.db2.gz OHEQROBAZOMMFQ-LJQANCHMSA-N 1 0 459.612 4.695 20 0 JJADRO CC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCCC2)CC(C)(C)O1 ZINC001360821026 1065934462 /nfs/dbraw/zinc/93/44/62/1065934462.db2.gz PJENOAQPDHXRKR-UHFFFAOYSA-N 1 0 476.463 4.587 20 0 JJADRO CC1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCSCC2)CC(C)(C)O1 ZINC001360821422 1065935453 /nfs/dbraw/zinc/93/54/53/1065935453.db2.gz ZESJWTCIZXBPGR-UHFFFAOYSA-N 1 0 484.497 4.695 20 0 JJADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001440508106 1065945552 /nfs/dbraw/zinc/94/55/52/1065945552.db2.gz JYARNTCDMGAMOQ-RDPSFJRHSA-N 1 0 451.611 4.669 20 0 JJADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(C)CCCO2)CC1 ZINC001360834175 1065945691 /nfs/dbraw/zinc/94/56/91/1065945691.db2.gz BEBWUOATWDEVOL-OAQYLSRUSA-N 1 0 482.492 4.649 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C)CC2)CC1 ZINC001360834264 1065946213 /nfs/dbraw/zinc/94/62/13/1065946213.db2.gz CDSNIYIWWPUWIV-UHFFFAOYSA-N 1 0 450.400 4.567 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4c([nH]3)c(Br)ccc4C)c(C)c2)CC1 ZINC001440611842 1065954227 /nfs/dbraw/zinc/95/42/27/1065954227.db2.gz BIWSWCXSTVNIIA-UHFFFAOYSA-N 1 0 455.400 4.941 20 0 JJADRO CC1CC[NH+](CC(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)CC1 ZINC001440631477 1065956003 /nfs/dbraw/zinc/95/60/03/1065956003.db2.gz ZTVIQMBCSZPTBD-UHFFFAOYSA-N 1 0 451.014 4.942 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001440635091 1065956132 /nfs/dbraw/zinc/95/61/32/1065956132.db2.gz IAIKTTRTPRBWOE-TVTNDZMWSA-N 1 0 452.014 4.548 20 0 JJADRO C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001440649060 1065958408 /nfs/dbraw/zinc/95/84/08/1065958408.db2.gz VFKQZVOUDJXGQC-GZHVBOIYSA-N 1 0 463.622 4.543 20 0 JJADRO O=C(COc1ccc2ccccc2c1Br)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001440676522 1065963115 /nfs/dbraw/zinc/96/31/15/1065963115.db2.gz YOCNDQBADRIHFV-OAQYLSRUSA-N 1 0 453.380 4.934 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001360851099 1065963406 /nfs/dbraw/zinc/96/34/06/1065963406.db2.gz AQGHMPLPDOXHAO-QZTJIDSGSA-N 1 0 475.479 4.910 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)[NH+](C)C)c1 ZINC001440679900 1065964393 /nfs/dbraw/zinc/96/43/93/1065964393.db2.gz XDHCWHGRHYJOFD-SANMLTNESA-N 1 0 454.574 4.889 20 0 JJADRO Cc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001360851543 1065965016 /nfs/dbraw/zinc/96/50/16/1065965016.db2.gz MPQXKHKOTWZIAB-FQEVSTJZSA-N 1 0 488.474 4.633 20 0 JJADRO Cc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001360851545 1065965064 /nfs/dbraw/zinc/96/50/64/1065965064.db2.gz MPQXKHKOTWZIAB-HXUWFJFHSA-N 1 0 488.474 4.633 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001360851577 1065965126 /nfs/dbraw/zinc/96/51/26/1065965126.db2.gz MUVWNCPCEOTZEZ-CQSZACIVSA-N 1 0 483.252 4.537 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccccc3F)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001360851664 1065965391 /nfs/dbraw/zinc/96/53/91/1065965391.db2.gz PAPMMYWQYIZTHX-LJQANCHMSA-N 1 0 474.378 4.859 20 0 JJADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)CC1 ZINC001440682204 1065965567 /nfs/dbraw/zinc/96/55/67/1065965567.db2.gz OCQQNBTZGPAGMP-UHFFFAOYSA-N 1 0 456.801 4.759 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccccn3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001360852002 1065966892 /nfs/dbraw/zinc/96/68/92/1065966892.db2.gz VAHAGXVQTPQUDQ-RTBURBONSA-N 1 0 487.490 4.977 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001440709992 1065968948 /nfs/dbraw/zinc/96/89/48/1065968948.db2.gz ZZKLCKIHRHFLJD-FQEVSTJZSA-N 1 0 457.405 4.729 20 0 JJADRO CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001440722783 1065971387 /nfs/dbraw/zinc/97/13/87/1065971387.db2.gz OGUVQCVDCKBOTD-RBUKOAKNSA-N 1 0 479.509 4.839 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440731114 1065971494 /nfs/dbraw/zinc/97/14/94/1065971494.db2.gz AXBMZCRIYIKGDV-LIRRHRJNSA-N 1 0 456.940 4.772 20 0 JJADRO Cc1cccc(CCCn2c([C@@H]3CCCCO3)nnc2N2CCC(C)=C(Br)C2)n1 ZINC001360854016 1065971803 /nfs/dbraw/zinc/97/18/03/1065971803.db2.gz QDCJSXWGNBGGHA-FQEVSTJZSA-N 1 0 460.420 4.735 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360854460 1065973441 /nfs/dbraw/zinc/97/34/41/1065973441.db2.gz ZSYYBYOATUHRSV-QUCCMNQESA-N 1 0 466.468 4.663 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)Cc1ccccc1 ZINC001440739733 1065973777 /nfs/dbraw/zinc/97/37/77/1065973777.db2.gz QLFODIXXRINTQO-NRFANRHFSA-N 1 0 450.604 4.869 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)Cc1ccccc1 ZINC001440738624 1065973799 /nfs/dbraw/zinc/97/37/99/1065973799.db2.gz NRNUKEIHJMJQJP-FCHUYYIVSA-N 1 0 450.652 4.582 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2CC[NH+](C(C)C)C(C)C)cs1 ZINC001360854523 1065974123 /nfs/dbraw/zinc/97/41/23/1065974123.db2.gz YBIYBWSFOVZGSS-UHFFFAOYSA-N 1 0 481.508 4.632 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)Cc1ccccc1 ZINC001440745573 1065975489 /nfs/dbraw/zinc/97/54/89/1065975489.db2.gz KQEXCCMCUBGREI-DEOSSOPVSA-N 1 0 451.611 4.620 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)Cc1ccccc1 ZINC001440745576 1065975562 /nfs/dbraw/zinc/97/55/62/1065975562.db2.gz KQEXCCMCUBGREI-XMMPIXPASA-N 1 0 451.611 4.620 20 0 JJADRO Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360858254 1065977352 /nfs/dbraw/zinc/97/73/52/1065977352.db2.gz DTFMFBICPIRVCD-OYRHEFFESA-N 1 0 498.716 4.533 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)c1C ZINC001360862346 1065980763 /nfs/dbraw/zinc/98/07/63/1065980763.db2.gz NPTDOGGOJCVLIG-JOCHJYFZSA-N 1 0 464.614 4.523 20 0 JJADRO Cc1cccc(-n2c(=O)c3ccc(C(=O)Nc4cccc(C[NH+](C)C)c4)cc3[nH]c2=S)c1C ZINC001440815666 1065980886 /nfs/dbraw/zinc/98/08/86/1065980886.db2.gz KCRGXJYDUAXXQD-UHFFFAOYSA-N 1 0 458.587 4.605 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC001360862953 1065981848 /nfs/dbraw/zinc/98/18/48/1065981848.db2.gz ZCGQLIPMWYTZLT-FQEVSTJZSA-N 1 0 489.668 4.542 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2CC[NH+](CCC(C)C)CC2)c1C ZINC001360864401 1065982617 /nfs/dbraw/zinc/98/26/17/1065982617.db2.gz BGDOHYOXWYBMMD-UHFFFAOYSA-N 1 0 491.684 4.723 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)c1C ZINC001360864668 1065982772 /nfs/dbraw/zinc/98/27/72/1065982772.db2.gz FIMBXVPOXDMYCF-UHFFFAOYSA-N 1 0 468.690 4.680 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCC[NH+]2CCC(C)CC2)c1C ZINC001360865034 1065983723 /nfs/dbraw/zinc/98/37/23/1065983723.db2.gz PDONXVBRXMTUAE-UHFFFAOYSA-N 1 0 494.709 4.744 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1C ZINC001360865382 1065984126 /nfs/dbraw/zinc/98/41/26/1065984126.db2.gz ANEVLCGKQRKMGL-GGAORHGYSA-N 1 0 498.716 4.506 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@H](c2ccco2)[NH+](C)C)c1C ZINC001360865446 1065984782 /nfs/dbraw/zinc/98/47/82/1065984782.db2.gz BLSJRQLCWJCWJP-ZWKOTPCHSA-N 1 0 465.520 4.929 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)c1C ZINC001360865605 1065985170 /nfs/dbraw/zinc/98/51/70/1065985170.db2.gz FKVWSTZFRLYBFK-BKULYWANSA-N 1 0 496.700 4.532 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)c1C ZINC001360865604 1065985319 /nfs/dbraw/zinc/98/53/19/1065985319.db2.gz FKVWSTZFRLYBFK-BGWNEDDSSA-N 1 0 496.700 4.532 20 0 JJADRO CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC001440870179 1065986485 /nfs/dbraw/zinc/98/64/85/1065986485.db2.gz FVHPCYOGWCKURH-KAMYIIQDSA-N 1 0 459.590 4.780 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1C ZINC001360865892 1065986614 /nfs/dbraw/zinc/98/66/14/1065986614.db2.gz JYWDIPGQBVTRLT-HVHOJJEHSA-N 1 0 483.701 4.897 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1)c1ccccc1Cl ZINC001440874132 1065987407 /nfs/dbraw/zinc/98/74/07/1065987407.db2.gz GTKNHGIMSXVZNV-UXHICEINSA-N 1 0 452.357 4.825 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)c1cccc(OC)c1 ZINC001440876366 1065987724 /nfs/dbraw/zinc/98/77/24/1065987724.db2.gz JVNRLIIVVSOHHS-WMTXJRDZSA-N 1 0 459.428 4.935 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)CC1=O ZINC001440911682 1065993441 /nfs/dbraw/zinc/99/34/41/1065993441.db2.gz DAVFBJMFNDWWJB-IRLDBZIGSA-N 1 0 451.636 4.726 20 0 JJADRO Cc1c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cnn1CCO[C@H]1CCCCO1 ZINC001440935369 1065995216 /nfs/dbraw/zinc/99/52/16/1065995216.db2.gz DXZGDMULXLVYAM-VWLOTQADSA-N 1 0 454.615 4.752 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[NH+]2CCCC2)c1C ZINC001360869209 1065996485 /nfs/dbraw/zinc/99/64/85/1065996485.db2.gz MTAQXVXSRDWXEF-JOCHJYFZSA-N 1 0 477.657 4.681 20 0 JJADRO CCOc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440954332 1065996670 /nfs/dbraw/zinc/99/66/70/1065996670.db2.gz PFNLWEOFWSGXFD-QRVBRYPASA-N 1 0 453.583 4.936 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCOC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360869250 1065997035 /nfs/dbraw/zinc/99/70/35/1065997035.db2.gz NGYPHGYNMZESBA-DNQXCXABSA-N 1 0 469.674 4.774 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H]3CCCOC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360869254 1065997162 /nfs/dbraw/zinc/99/71/62/1065997162.db2.gz NGYPHGYNMZESBA-ZEQRLZLVSA-N 1 0 469.674 4.774 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3nccs3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC001360869705 1065998626 /nfs/dbraw/zinc/99/86/26/1065998626.db2.gz QKLULLWMBFLAGZ-KCZVDYSFSA-N 1 0 498.697 4.627 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3nccs3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC001360869704 1065998750 /nfs/dbraw/zinc/99/87/50/1065998750.db2.gz QKLULLWMBFLAGZ-JAXLGGSGSA-N 1 0 498.697 4.627 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360870289 1066002110 /nfs/dbraw/zinc/00/21/10/1066002110.db2.gz ODDBRMWNXJKUNQ-UNMCSNQZSA-N 1 0 469.674 4.913 20 0 JJADRO CC[NH+]1CCC(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)(c2ccccc2)CC1 ZINC001441033424 1066002172 /nfs/dbraw/zinc/00/21/72/1066002172.db2.gz RCQYMHVPGCFOBX-UHFFFAOYSA-N 1 0 458.602 4.944 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)c1C ZINC001360871658 1066005897 /nfs/dbraw/zinc/00/58/97/1066005897.db2.gz ZAACFVGHQRIJJO-BCQCSXDESA-N 1 0 469.674 4.507 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)CC3)n2C[C@]2([NH+](C)C)CCSC2)c1C ZINC001360872822 1066006849 /nfs/dbraw/zinc/00/68/49/1066006849.db2.gz BDLRGQANDMAYGL-PXDATVDWSA-N 1 0 457.688 4.709 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CC(F)(F)F)c1C ZINC001360873474 1066009423 /nfs/dbraw/zinc/00/94/23/1066009423.db2.gz HRXSWPWXRITAHG-VQTJNVASSA-N 1 0 465.564 4.909 20 0 JJADRO COc1ccc(C(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c2ccc(OC)cc2)cc1 ZINC001441186039 1066013085 /nfs/dbraw/zinc/01/30/85/1066013085.db2.gz BXSVBJBHTHEGLI-RUZDIDTESA-N 1 0 458.602 4.864 20 0 JJADRO CN1CC[N@H+](CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001441238067 1066017819 /nfs/dbraw/zinc/01/78/19/1066017819.db2.gz FPIAACWSCMEIHB-FQLXRVMXSA-N 1 0 455.646 4.898 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC(F)(F)F)c1C ZINC001360875418 1066017871 /nfs/dbraw/zinc/01/78/71/1066017871.db2.gz ZNORTDXSZNBJLP-RBUKOAKNSA-N 1 0 451.537 4.662 20 0 JJADRO CN1CC[N@H+](CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC001441238081 1066018092 /nfs/dbraw/zinc/01/80/92/1066018092.db2.gz FPIAACWSCMEIHB-WDYNHAJCSA-N 1 0 455.646 4.898 20 0 JJADRO CN1CC[N@H+](CCCNC(=O)c2cc3ccccc3cc2OC(F)F)[C@@H](c2ccccc2)C1 ZINC001441240256 1066018676 /nfs/dbraw/zinc/01/86/76/1066018676.db2.gz IJTCVEVPVOOEQW-HSZRJFAPSA-N 1 0 453.533 4.550 20 0 JJADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001441241772 1066019086 /nfs/dbraw/zinc/01/90/86/1066019086.db2.gz OWXQYOPNUKEFNV-QFIPXVFZSA-N 1 0 459.428 4.557 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCc2nccs2)c1C ZINC001360876843 1066021467 /nfs/dbraw/zinc/02/14/67/1066021467.db2.gz BWZJQVCNUMRGFP-JOCHJYFZSA-N 1 0 482.698 4.902 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2nccs2)c1C ZINC001360877087 1066021825 /nfs/dbraw/zinc/02/18/25/1066021825.db2.gz HRINLNKXFJXVCJ-FQEVSTJZSA-N 1 0 468.671 4.655 20 0 JJADRO C[C@@H](CCOc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001441304704 1066023838 /nfs/dbraw/zinc/02/38/38/1066023838.db2.gz COCROBBGVKQAMF-DEOSSOPVSA-N 1 0 457.618 4.730 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CC(F)(F)F)c1C ZINC001360877675 1066023990 /nfs/dbraw/zinc/02/39/90/1066023990.db2.gz NNSLTELOCNOOIJ-LPHOPBHVSA-N 1 0 465.564 4.908 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCSC[C@@H]3C)n2CC2([NH+](C)C)CCCC2)c1C ZINC001360878810 1066027337 /nfs/dbraw/zinc/02/73/37/1066027337.db2.gz AQOVLSIEVYZOIC-FPOVZHCZSA-N 1 0 457.688 4.851 20 0 JJADRO O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001441328867 1066029001 /nfs/dbraw/zinc/02/90/01/1066029001.db2.gz SIDBXFZTZXMHNZ-HXUWFJFHSA-N 1 0 459.377 4.929 20 0 JJADRO CC(C)[C@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)[NH+]1CCC(C)CC1 ZINC001441344679 1066030928 /nfs/dbraw/zinc/03/09/28/1066030928.db2.gz WIJBRTFAIUHNOQ-GOTSBHOMSA-N 1 0 451.696 4.970 20 0 JJADRO CC(C)[C@@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)[NH+]1CCC(C)CC1 ZINC001441344681 1066030987 /nfs/dbraw/zinc/03/09/87/1066030987.db2.gz WIJBRTFAIUHNOQ-XZOQPEGZSA-N 1 0 451.696 4.970 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[NH+]2CCCCC2)c1C ZINC001360879674 1066031005 /nfs/dbraw/zinc/03/10/05/1066031005.db2.gz OHOHXNICSVRMQC-FGZHOGPDSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[NH+]2CCCCC2)c1C ZINC001360879675 1066031260 /nfs/dbraw/zinc/03/12/60/1066031260.db2.gz OHOHXNICSVRMQC-VXKWHMMOSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@@H]3C)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360879877 1066031536 /nfs/dbraw/zinc/03/15/36/1066031536.db2.gz RHWPRBBMZJUVRU-RBBKRZOGSA-N 1 0 455.647 4.525 20 0 JJADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1 ZINC001441352389 1066032062 /nfs/dbraw/zinc/03/20/62/1066032062.db2.gz MJTZIFBTQDNWBU-MRXNPFEDSA-N 1 0 453.384 4.521 20 0 JJADRO C[C@H](CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001441351832 1066032125 /nfs/dbraw/zinc/03/21/25/1066032125.db2.gz PLXWVCXXAAGPQL-XZOQPEGZSA-N 1 0 450.623 4.550 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001441357311 1066033266 /nfs/dbraw/zinc/03/32/66/1066033266.db2.gz PZSGCGJWJSZTBC-NZQKXSOJSA-N 1 0 455.643 4.857 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1 ZINC001441359035 1066034140 /nfs/dbraw/zinc/03/41/40/1066034140.db2.gz UJJGJMRKWNVXHZ-FQEVSTJZSA-N 1 0 455.643 4.999 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(Nc3ccn(C)n3)n2CCC[NH+]2CCC(C)CC2)c1C ZINC001360881240 1066034113 /nfs/dbraw/zinc/03/41/13/1066034113.db2.gz IYAYIEPSOLKIIR-NRFANRHFSA-N 1 0 451.619 4.634 20 0 JJADRO CC1=C(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001360883264 1066037012 /nfs/dbraw/zinc/03/70/12/1066037012.db2.gz NJAVVGWDFJPHEE-MUUNZHRXSA-N 1 0 481.685 4.754 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCc2c(cnn2-c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001441397046 1066037447 /nfs/dbraw/zinc/03/74/47/1066037447.db2.gz KHBQWWZPVRGTNB-QHCPKHFHSA-N 1 0 456.512 4.859 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CCCC[NH+]2CCOCC2)c1C ZINC001360883684 1066037331 /nfs/dbraw/zinc/03/73/31/1066037331.db2.gz WPHUYNZVVIRDGF-DEOSSOPVSA-N 1 0 467.658 4.694 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001360884868 1066039124 /nfs/dbraw/zinc/03/91/24/1066039124.db2.gz JWDGAKKSKLOMPG-UHFFFAOYSA-N 1 0 453.631 4.772 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C)=C(C)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1Br ZINC001360884854 1066039325 /nfs/dbraw/zinc/03/93/25/1066039325.db2.gz JGAUPOWGOZLCDG-OAQYLSRUSA-N 1 0 458.448 4.903 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001360884953 1066039612 /nfs/dbraw/zinc/03/96/12/1066039612.db2.gz MUBYJEHHVJOAKT-UHFFFAOYSA-N 1 0 467.017 4.529 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC001441458149 1066042759 /nfs/dbraw/zinc/04/27/59/1066042759.db2.gz IRHSUPOTIOOYBO-IBGZPJMESA-N 1 0 452.624 4.872 20 0 JJADRO CC1=C(C)CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001360892060 1066043490 /nfs/dbraw/zinc/04/34/90/1066043490.db2.gz JBERISXGDIAHMV-OAQYLSRUSA-N 1 0 492.693 4.946 20 0 JJADRO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001360892410 1066044278 /nfs/dbraw/zinc/04/42/78/1066044278.db2.gz WXVNAEGUQZNWGA-FGZHOGPDSA-N 1 0 451.659 4.814 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cnn4cccc(Br)c34)cc2)C1 ZINC001441475879 1066044954 /nfs/dbraw/zinc/04/49/54/1066044954.db2.gz BBTHQXBQGPGDGG-IAGOWNOFSA-N 1 0 455.400 4.505 20 0 JJADRO CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001360893111 1066045746 /nfs/dbraw/zinc/04/57/46/1066045746.db2.gz ZDVXEZJOWSMKHC-RUZDIDTESA-N 1 0 495.712 4.938 20 0 JJADRO CC1=C(C)CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001360893099 1066045787 /nfs/dbraw/zinc/04/57/87/1066045787.db2.gz YOXWWGYJSGTRCQ-JOCHJYFZSA-N 1 0 455.622 4.911 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001441556700 1066050688 /nfs/dbraw/zinc/05/06/88/1066050688.db2.gz DHRLBROVEGXKSM-IZZNHLLZSA-N 1 0 477.649 4.726 20 0 JJADRO Cc1nc(CCn2c(CCCc3ccccc3)nnc2N2CCC([NH2+]C(C)C)CC2)sc1C ZINC001360899170 1066052796 /nfs/dbraw/zinc/05/27/96/1066052796.db2.gz KAIPIKVIAVIOAD-UHFFFAOYSA-N 1 0 466.699 4.736 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(I)c(F)c3)cc2)CC1 ZINC001441611324 1066053658 /nfs/dbraw/zinc/05/36/58/1066053658.db2.gz KBDWQWZMABXPQK-UHFFFAOYSA-N 1 0 452.311 4.915 20 0 JJADRO CC1CCN(c2ccc(CNC(=O)c3ccccc3OCC[N@@H+]3CCCC[C@@H]3C)cn2)CC1 ZINC001441616929 1066054740 /nfs/dbraw/zinc/05/47/40/1066054740.db2.gz ADBQOGQLJMEPKX-QFIPXVFZSA-N 1 0 450.627 4.501 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)c1 ZINC001441625019 1066055962 /nfs/dbraw/zinc/05/59/62/1066055962.db2.gz SGSSUDLFNYOQMW-SMIHKQSGSA-N 1 0 457.659 4.960 20 0 JJADRO Cc1ccccc1Oc1ccc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)nc1 ZINC001441691283 1066061695 /nfs/dbraw/zinc/06/16/95/1066061695.db2.gz LAGRVPBHFGLHIN-UHFFFAOYSA-N 1 0 458.606 4.510 20 0 JJADRO Cc1nc(-c2ccc(C(=O)NCCCC[NH+]3CCN(Cc4ccccc4)CC3)s2)cs1 ZINC001441694427 1066061918 /nfs/dbraw/zinc/06/19/18/1066061918.db2.gz SVECRYMJKZLZQW-UHFFFAOYSA-N 1 0 454.665 4.508 20 0 JJADRO Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCCC[C@H]3C)CC2)sc1C ZINC001360908010 1066063227 /nfs/dbraw/zinc/06/32/27/1066063227.db2.gz XPDFTSMHLNFRRD-HXUWFJFHSA-N 1 0 487.762 4.921 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)Cc2ccccn2)n1CC(C)(C)C[NH+](C)C ZINC001360908850 1066064535 /nfs/dbraw/zinc/06/45/35/1066064535.db2.gz SMTJKLZWMSLURC-UHFFFAOYSA-N 1 0 475.666 4.996 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCS[C@@H](C)C2)n1CC[N@@H+](C)C(C)C ZINC001360911117 1066067820 /nfs/dbraw/zinc/06/78/20/1066067820.db2.gz XHSRTBIFSDDHCT-KRWDZBQOSA-N 1 0 456.685 4.659 20 0 JJADRO C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1cc2c(cc1Br)OCCO2 ZINC001441812650 1066071995 /nfs/dbraw/zinc/07/19/95/1066071995.db2.gz CVHZOPKKYLWGOC-MRXNPFEDSA-N 1 0 459.384 4.697 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC001441825713 1066074522 /nfs/dbraw/zinc/07/45/22/1066074522.db2.gz XKIANJZBMDLROB-GOSISDBHSA-N 1 0 457.537 4.650 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)Cc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCCCC1 ZINC001441881794 1066077389 /nfs/dbraw/zinc/07/73/89/1066077389.db2.gz HLLZOGDGLFDBRE-QFIPXVFZSA-N 1 0 453.583 4.844 20 0 JJADRO CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1C ZINC001441887825 1066078856 /nfs/dbraw/zinc/07/88/56/1066078856.db2.gz SFGUGLBCCAXCQP-BJKOFHAPSA-N 1 0 469.651 4.634 20 0 JJADRO Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001360923430 1066079013 /nfs/dbraw/zinc/07/90/13/1066079013.db2.gz STAAQSIOXORNFB-OAQYLSRUSA-N 1 0 452.672 4.585 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(Nc2nccs2)cc1F)[NH+]1CCCCC1 ZINC001441891997 1066079191 /nfs/dbraw/zinc/07/91/91/1066079191.db2.gz WRDARHNFNAVIBH-OAQYLSRUSA-N 1 0 454.571 4.991 20 0 JJADRO C[C@@H](CNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001441912433 1066080596 /nfs/dbraw/zinc/08/05/96/1066080596.db2.gz JGNPOQDIQJBSGE-NRFANRHFSA-N 1 0 457.659 4.728 20 0 JJADRO O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001441958956 1066083186 /nfs/dbraw/zinc/08/31/86/1066083186.db2.gz NITOGADEADMNRB-UHFFFAOYSA-N 1 0 457.574 4.876 20 0 JJADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001360928949 1066084842 /nfs/dbraw/zinc/08/48/42/1066084842.db2.gz SEFXXTLIISDWQW-RPWUZVMVSA-N 1 0 451.611 4.938 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360930816 1066087265 /nfs/dbraw/zinc/08/72/65/1066087265.db2.gz OEONMKQLOXYIQW-UUOWRZLLSA-N 1 0 473.618 4.532 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360930813 1066087377 /nfs/dbraw/zinc/08/73/77/1066087377.db2.gz OEONMKQLOXYIQW-HOYKHHGWSA-N 1 0 473.618 4.532 20 0 JJADRO Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([NH+](C)C)CCC1 ZINC001360931043 1066088230 /nfs/dbraw/zinc/08/82/30/1066088230.db2.gz YXBWINKSNVCVEF-KRWDZBQOSA-N 1 0 475.062 4.957 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)c2ccccc2)CC1 ZINC001442064006 1066088785 /nfs/dbraw/zinc/08/87/85/1066088785.db2.gz SCCNBBPOBFISIF-RDGATRHJSA-N 1 0 457.977 4.952 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H](C)C2)cnn1C ZINC001360932722 1066090210 /nfs/dbraw/zinc/09/02/10/1066090210.db2.gz QWDUMKQXKLZMHW-IBGZPJMESA-N 1 0 470.065 4.789 20 0 JJADRO CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001442078454 1066090676 /nfs/dbraw/zinc/09/06/76/1066090676.db2.gz SLMINMKPTMVHFO-XXBNENTESA-N 1 0 452.599 4.655 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC[N@@H+]1C ZINC001360933739 1066091513 /nfs/dbraw/zinc/09/15/13/1066091513.db2.gz LAAPWZJNYHRADA-WBVHZDCISA-N 1 0 453.384 4.614 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)C[NH+]2CCCC2)cnn1C ZINC001360934673 1066092936 /nfs/dbraw/zinc/09/29/36/1066092936.db2.gz HSLCERDRWOCBAC-MRXNPFEDSA-N 1 0 476.456 4.662 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)s2)n1CCC[N@@H+](C)C(C)C ZINC001360934835 1066093666 /nfs/dbraw/zinc/09/36/66/1066093666.db2.gz NOABZXFJNGPNKL-UHFFFAOYSA-N 1 0 483.505 4.901 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001442109306 1066094186 /nfs/dbraw/zinc/09/41/86/1066094186.db2.gz SLZMVNMSFDCOOF-GMKZXUHWSA-N 1 0 471.439 4.897 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001442110177 1066094573 /nfs/dbraw/zinc/09/45/73/1066094573.db2.gz AHSOSORZLFKGIU-DNQXCXABSA-N 1 0 457.659 4.879 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001360944919 1066099735 /nfs/dbraw/zinc/09/97/35/1066099735.db2.gz NZSHFINQQSSHED-HDICACEKSA-N 1 0 487.595 4.573 20 0 JJADRO Cc1occc1CN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360947346 1066102414 /nfs/dbraw/zinc/10/24/14/1066102414.db2.gz IQQMWXFLPWJCGZ-HSZRJFAPSA-N 1 0 451.615 4.558 20 0 JJADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)C1 ZINC001442216956 1066103184 /nfs/dbraw/zinc/10/31/84/1066103184.db2.gz CGCIPAAQYHMNTJ-OAHLLOKOSA-N 1 0 456.940 4.844 20 0 JJADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)C1 ZINC001442216952 1066103223 /nfs/dbraw/zinc/10/32/23/1066103223.db2.gz CGCIPAAQYHMNTJ-HNNXBMFYSA-N 1 0 456.940 4.844 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001360949441 1066104856 /nfs/dbraw/zinc/10/48/56/1066104856.db2.gz GUQXTWHJQHFFCD-IQGLISFBSA-N 1 0 486.661 4.908 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360949863 1066107580 /nfs/dbraw/zinc/10/75/80/1066107580.db2.gz WMPUCPFRXMSFBC-JOCHJYFZSA-N 1 0 455.578 4.654 20 0 JJADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cccs1)[NH+]1CCCC1 ZINC001545947949 1066111856 /nfs/dbraw/zinc/11/18/56/1066111856.db2.gz HHEKOEJYVAKJIW-OAQYLSRUSA-N 1 0 466.655 4.720 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001442304299 1066114690 /nfs/dbraw/zinc/11/46/90/1066114690.db2.gz HVILOVCMXPJBRJ-OKZBNKHCSA-N 1 0 454.455 4.952 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)SCC(=O)N2)c1ccc(C(F)(F)F)cc1 ZINC001442307056 1066115343 /nfs/dbraw/zinc/11/53/43/1066115343.db2.gz OHGVYPBLHCUPQO-GOSISDBHSA-N 1 0 451.514 4.563 20 0 JJADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C(C)(C)c1ccccc1Br)c1ccccc1O2 ZINC001442314395 1066115896 /nfs/dbraw/zinc/11/58/96/1066115896.db2.gz UTSZQSOSWWIUDV-FQEVSTJZSA-N 1 0 457.412 4.831 20 0 JJADRO CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC001442330373 1066117057 /nfs/dbraw/zinc/11/70/57/1066117057.db2.gz CACADUCNLWOUHE-UHFFFAOYSA-N 1 0 456.030 4.569 20 0 JJADRO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCCC1 ZINC001545948349 1066117711 /nfs/dbraw/zinc/11/77/11/1066117711.db2.gz PBRVKNDKMHHKAD-QHCPKHFHSA-N 1 0 496.059 4.706 20 0 JJADRO CC(C)c1ccc(-n2ccnc2SCC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC001442348865 1066118637 /nfs/dbraw/zinc/11/86/37/1066118637.db2.gz PFZVLGSACRMBPM-UHFFFAOYSA-N 1 0 454.615 4.817 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001360961142 1066120653 /nfs/dbraw/zinc/12/06/53/1066120653.db2.gz BHMBPDWWARXURH-VWLOTQADSA-N 1 0 455.602 4.704 20 0 JJADRO COCC[N@@H+]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1 ZINC001442381874 1066121966 /nfs/dbraw/zinc/12/19/66/1066121966.db2.gz SRQPNGQROBKSGS-UHFFFAOYSA-N 1 0 456.505 4.790 20 0 JJADRO C[C@]1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1(Br)Br ZINC001442386753 1066122533 /nfs/dbraw/zinc/12/25/33/1066122533.db2.gz UYWJKBAZUYKBOA-GOSISDBHSA-N 1 0 458.238 4.575 20 0 JJADRO CC(C)(C)OC(=O)COc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC001442386749 1066122548 /nfs/dbraw/zinc/12/25/48/1066122548.db2.gz UTEKIFWENNFYQK-UHFFFAOYSA-N 1 0 452.595 4.713 20 0 JJADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001545948870 1066123081 /nfs/dbraw/zinc/12/30/81/1066123081.db2.gz YUCPUPZIUBTHLT-FYYLOGMGSA-N 1 0 452.647 4.504 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001360967621 1066124922 /nfs/dbraw/zinc/12/49/22/1066124922.db2.gz JCOBLXGTCILBAW-RTBURBONSA-N 1 0 457.537 4.508 20 0 JJADRO CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001442418458 1066126263 /nfs/dbraw/zinc/12/62/63/1066126263.db2.gz WIGRYDAJPAMOMU-UHFFFAOYSA-N 1 0 457.590 4.543 20 0 JJADRO C[C@@H](CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC001442465292 1066128039 /nfs/dbraw/zinc/12/80/39/1066128039.db2.gz KTPUKTHXTUYUFR-BWAGFHJFSA-N 1 0 464.050 4.527 20 0 JJADRO Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)[NH+](C)C)cc1 ZINC001442478160 1066130685 /nfs/dbraw/zinc/13/06/85/1066130685.db2.gz UNHDSUTYKOSUIL-UCFCWBNQSA-N 1 0 459.993 4.505 20 0 JJADRO Cc1c(Cn2c(N(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)cnn1CC(C)C ZINC001360977229 1066134723 /nfs/dbraw/zinc/13/47/23/1066134723.db2.gz IZSVNCSDKRIMTB-VWLOTQADSA-N 1 0 477.701 4.886 20 0 JJADRO Cc1c(Cl)cccc1Cn1c(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001360982345 1066142125 /nfs/dbraw/zinc/14/21/25/1066142125.db2.gz JFCTWVCNEXFHEQ-KDURUIRLSA-N 1 0 474.093 4.911 20 0 JJADRO COc1ccc(Br)cc1C1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001442597736 1066142888 /nfs/dbraw/zinc/14/28/88/1066142888.db2.gz ZKBIBJDNFLDAOQ-NRFANRHFSA-N 1 0 457.412 4.751 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC001442597785 1066142910 /nfs/dbraw/zinc/14/29/10/1066142910.db2.gz ZSGGSTAKAGBBJZ-KCWPFWIISA-N 1 0 451.611 4.688 20 0 JJADRO C[C@@H](C1CC1)N(C(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001442631807 1066146253 /nfs/dbraw/zinc/14/62/53/1066146253.db2.gz HAJIRWXEOZDERO-FQEVSTJZSA-N 1 0 455.643 4.726 20 0 JJADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001442657998 1066148088 /nfs/dbraw/zinc/14/80/88/1066148088.db2.gz GVUOPMJRZHJGLL-VWPQPMDRSA-N 1 0 458.647 4.538 20 0 JJADRO CN1CCC([NH+]2CCC(NC(=O)[C@H](Sc3ccccc3Cl)c3ccccc3)CC2)CC1 ZINC001442659389 1066148132 /nfs/dbraw/zinc/14/81/32/1066148132.db2.gz CODNWLLQCNGVRC-XMMPIXPASA-N 1 0 458.071 4.848 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001360985739 1066148997 /nfs/dbraw/zinc/14/89/97/1066148997.db2.gz KEZMMICWBZFSSF-LGVFNWMJSA-N 1 0 496.700 4.579 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001360986268 1066150291 /nfs/dbraw/zinc/15/02/91/1066150291.db2.gz ZCZCUWBIPBLOPF-FGZHOGPDSA-N 1 0 496.700 4.515 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@@H](C)[NH+](C)C ZINC001360986319 1066150808 /nfs/dbraw/zinc/15/08/08/1066150808.db2.gz APEVOKJVOODFNL-SBHAEUEKSA-N 1 0 464.054 4.644 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360986322 1066151451 /nfs/dbraw/zinc/15/14/51/1066151451.db2.gz ASUSBOBWZDWWMR-NRFANRHFSA-N 1 0 468.671 4.533 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001360986585 1066153199 /nfs/dbraw/zinc/15/31/99/1066153199.db2.gz HHJMFVWSRPDQTD-QHCPKHFHSA-N 1 0 480.701 4.967 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccnc(OCc2ccccc2)c1 ZINC001442715525 1066154790 /nfs/dbraw/zinc/15/47/90/1066154790.db2.gz AXGMLMWFTVAIFQ-UHFFFAOYSA-N 1 0 457.496 4.883 20 0 JJADRO C[C@@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C ZINC001442718357 1066154839 /nfs/dbraw/zinc/15/48/39/1066154839.db2.gz DTIRCCPQJFVSFN-IEBWSBKVSA-N 1 0 471.564 4.631 20 0 JJADRO O=C([C@H](CO)c1ccc(Cl)cc1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001442726799 1066156076 /nfs/dbraw/zinc/15/60/76/1066156076.db2.gz OSLDLTWOUHWZKE-LJQANCHMSA-N 1 0 455.813 4.847 20 0 JJADRO CC[C@@H](C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545951627 1066156876 /nfs/dbraw/zinc/15/68/76/1066156876.db2.gz AMRCYAQSRLMNOC-IFMALSPDSA-N 1 0 476.710 4.797 20 0 JJADRO C[C@H]1CCCC[C@H]1CNC(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001442755272 1066157051 /nfs/dbraw/zinc/15/70/51/1066157051.db2.gz ZCMJZJOAOOZYHA-GMAHTHKFSA-N 1 0 457.659 4.879 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001360989229 1066159834 /nfs/dbraw/zinc/15/98/34/1066159834.db2.gz BCZPZJMQILIAIL-VQTJNVASSA-N 1 0 476.065 4.524 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001360989379 1066161223 /nfs/dbraw/zinc/16/12/23/1066161223.db2.gz DGZUHKIWUHCTLG-QFBILLFUSA-N 1 0 464.079 4.583 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001360990049 1066165149 /nfs/dbraw/zinc/16/51/49/1066165149.db2.gz PHZYHWTUTWFSMC-TUNNFDKTSA-N 1 0 490.092 4.770 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001360990048 1066165179 /nfs/dbraw/zinc/16/51/79/1066165179.db2.gz PHZYHWTUTWFSMC-SJBKTWHCSA-N 1 0 490.092 4.770 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360990202 1066166600 /nfs/dbraw/zinc/16/66/00/1066166600.db2.gz QYDPZJVUQPTWRX-XSDIEEQYSA-N 1 0 476.065 4.786 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCOC1 ZINC001360990362 1066167532 /nfs/dbraw/zinc/16/75/32/1066167532.db2.gz ULWRWVFVYWIQGA-UXHICEINSA-N 1 0 476.065 4.692 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C)C2)n1CCOCC[NH+](C)C ZINC001360990431 1066167562 /nfs/dbraw/zinc/16/75/62/1066167562.db2.gz VMEQCSAGCTWZBG-FXAWDEMLSA-N 1 0 464.054 4.503 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCCCCO ZINC001360990552 1066168218 /nfs/dbraw/zinc/16/82/18/1066168218.db2.gz XIMYSNZCVHHOFF-GGAORHGYSA-N 1 0 490.092 4.916 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCCCCCO ZINC001360991642 1066170243 /nfs/dbraw/zinc/17/02/43/1066170243.db2.gz DQCMFKMDFMBOLS-FYYLOGMGSA-N 1 0 490.092 4.916 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCCCCCO ZINC001360991645 1066170250 /nfs/dbraw/zinc/17/02/50/1066170250.db2.gz DQCMFKMDFMBOLS-JTHBVZDNSA-N 1 0 490.092 4.916 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC[C@@H]2C)n1CC[N@@H+](C)C(C)C ZINC001360992904 1066172640 /nfs/dbraw/zinc/17/26/40/1066172640.db2.gz VYNNYVAOGVQITH-RBUKOAKNSA-N 1 0 466.095 4.970 20 0 JJADRO Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3Cl)nnc2N2CCC([NH2+]C(C)C)CC2)c(C)o1 ZINC001360999065 1066177949 /nfs/dbraw/zinc/17/79/49/1066177949.db2.gz JREYBQPVMYEDFZ-VWLOTQADSA-N 1 0 472.033 4.683 20 0 JJADRO CCOC(=O)Cc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001361005668 1066184183 /nfs/dbraw/zinc/18/41/83/1066184183.db2.gz ZFACIGXDVJXGQI-GGXMVOPNSA-N 1 0 456.586 4.821 20 0 JJADRO Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001361008232 1066188671 /nfs/dbraw/zinc/18/86/71/1066188671.db2.gz JSVDOFIIBLMHOM-UHFFFAOYSA-N 1 0 478.950 4.899 20 0 JJADRO Cc1cc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(C)c1 ZINC001361011084 1066194165 /nfs/dbraw/zinc/19/41/65/1066194165.db2.gz HYJWAVYPXHEPPM-JWQCQUIFSA-N 1 0 480.745 4.835 20 0 JJADRO CCc1csc(-n2cc(C(=O)N(CC[N@H+](C)Cc3ccccc3)Cc3ccccc3)cn2)n1 ZINC001361013734 1066198855 /nfs/dbraw/zinc/19/88/55/1066198855.db2.gz UDQQQZNCXVITNY-UHFFFAOYSA-N 1 0 459.619 4.666 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC001361014435 1066200769 /nfs/dbraw/zinc/20/07/69/1066200769.db2.gz NRSUTWYJWXMDJI-DNQXCXABSA-N 1 0 496.700 4.640 20 0 JJADRO Cc1cc(C)cc(CCn2c(N3CC[NH+](CCc4cccs4)CC3)nnc2C(C)(C)C)c1 ZINC001361017302 1066206054 /nfs/dbraw/zinc/20/60/54/1066206054.db2.gz OVLOVSQCYURPJI-UHFFFAOYSA-N 1 0 451.684 4.861 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001361020176 1066210033 /nfs/dbraw/zinc/21/00/33/1066210033.db2.gz QJVNRGXQBQUZAB-CQOQZXRMSA-N 1 0 468.041 4.746 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001361020732 1066211191 /nfs/dbraw/zinc/21/11/91/1066211191.db2.gz FQTCPAMWXPPBCQ-LJQANCHMSA-N 1 0 451.615 4.744 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)/C(C)=C\c2ccc(Br)o2)ccc1OC ZINC001361021039 1066212499 /nfs/dbraw/zinc/21/24/99/1066212499.db2.gz BQMJMHXWQODSEU-SQFISAMPSA-N 1 0 451.361 4.813 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)s1 ZINC001361021146 1066213662 /nfs/dbraw/zinc/21/36/62/1066213662.db2.gz RJUASGMYRFIYHT-QFIPXVFZSA-N 1 0 480.638 4.771 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001361021380 1066214496 /nfs/dbraw/zinc/21/44/96/1066214496.db2.gz WCOUDGUOLYGHKL-HXUWFJFHSA-N 1 0 477.531 4.903 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361022569 1066218838 /nfs/dbraw/zinc/21/88/38/1066218838.db2.gz VHRMRYSGQUBTST-SDHOMARFSA-N 1 0 483.701 4.705 20 0 JJADRO COc1cc(OC)c(C2CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC2)c(OC)c1 ZINC001453969899 1066226828 /nfs/dbraw/zinc/22/68/28/1066226828.db2.gz GIQSQQARGXGLFB-UHFFFAOYSA-N 1 0 452.595 4.718 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)c1 ZINC001361027802 1066231324 /nfs/dbraw/zinc/23/13/24/1066231324.db2.gz DJJJUYJRCIXNIS-DNQXCXABSA-N 1 0 483.701 4.846 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)/C=C/c3csc(C(F)(F)F)c3)C2)ccn1 ZINC001454006750 1066232585 /nfs/dbraw/zinc/23/25/85/1066232585.db2.gz BTBQLUJBONUYAO-VZSQWMKGSA-N 1 0 453.530 4.695 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001361028588 1066234141 /nfs/dbraw/zinc/23/41/41/1066234141.db2.gz MAYGIUBXIIDTHA-UHFFFAOYSA-N 1 0 451.537 4.513 20 0 JJADRO CCCN(C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442869051 1066234387 /nfs/dbraw/zinc/23/43/87/1066234387.db2.gz JFQLKOOCVFMOFW-NFBKMPQASA-N 1 0 452.517 4.631 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001361028740 1066234805 /nfs/dbraw/zinc/23/48/05/1066234805.db2.gz PTHYQHLXHZNQGM-INIZCTEOSA-N 1 0 493.496 4.745 20 0 JJADRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001454062954 1066241822 /nfs/dbraw/zinc/24/18/22/1066241822.db2.gz RVLBESIPQKZEBO-HSZRJFAPSA-N 1 0 457.412 4.807 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361031510 1066242204 /nfs/dbraw/zinc/24/22/04/1066242204.db2.gz UBZWYJFUUJLLES-NQIIRXRSSA-N 1 0 479.591 4.985 20 0 JJADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001442932073 1066243168 /nfs/dbraw/zinc/24/31/68/1066243168.db2.gz CEOIHDGEAHXINO-SFHVURJKSA-N 1 0 453.327 4.721 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[N@@H+](C(C)C)CC2)O1 ZINC001546057620 1066243400 /nfs/dbraw/zinc/24/34/00/1066243400.db2.gz VJTGTGVIGIPOMY-RPLLCQBOSA-N 1 0 453.675 4.722 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361032742 1066247046 /nfs/dbraw/zinc/24/70/46/1066247046.db2.gz UTRJEPMABQCHPA-QFIPXVFZSA-N 1 0 471.690 4.846 20 0 JJADRO CC1CC[NH+](C2CCC(NC(=O)Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)CC2)CC1 ZINC001546058203 1066249251 /nfs/dbraw/zinc/24/92/51/1066249251.db2.gz GSNVFELEEJTPNG-UHFFFAOYSA-N 1 0 455.643 4.686 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001361033208 1066249593 /nfs/dbraw/zinc/24/95/93/1066249593.db2.gz ZNEDYBGWSXDRCX-ISKFKSNPSA-N 1 0 469.674 4.598 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCSCC(F)(F)F)c1 ZINC001361034865 1066251838 /nfs/dbraw/zinc/25/18/38/1066251838.db2.gz GZYSLEOUBPAFCZ-UHFFFAOYSA-N 1 0 485.620 4.690 20 0 JJADRO CCC[NH+]1CCC(CNC(=O)c2ccccc2CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001443015215 1066253550 /nfs/dbraw/zinc/25/35/50/1066253550.db2.gz HDOSWBNUUXQHCB-UHFFFAOYSA-N 1 0 457.659 4.728 20 0 JJADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC001443016663 1066254361 /nfs/dbraw/zinc/25/43/61/1066254361.db2.gz QZFNNLOFPFJTPQ-NHCUHLMSSA-N 1 0 456.030 4.550 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](c4ccco4)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361038661 1066257817 /nfs/dbraw/zinc/25/78/17/1066257817.db2.gz LZRBNMPQCNWKSA-VWLOTQADSA-N 1 0 481.641 4.764 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361038699 1066257922 /nfs/dbraw/zinc/25/79/22/1066257922.db2.gz MXVIHLHRRSDBIU-HXUWFJFHSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001361038781 1066258649 /nfs/dbraw/zinc/25/86/49/1066258649.db2.gz OVJQEPXESCSWOC-NOZRDPDXSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001361039011 1066258842 /nfs/dbraw/zinc/25/88/42/1066258842.db2.gz VQQFTAHFSOSHOZ-HHHXNRCGSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C)C3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001361039044 1066259025 /nfs/dbraw/zinc/25/90/25/1066259025.db2.gz WIWNMUBOXZIOMC-HSZRJFAPSA-N 1 0 471.715 4.928 20 0 JJADRO C[C@H](CC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001443090273 1066265361 /nfs/dbraw/zinc/26/53/61/1066265361.db2.gz LMQZEKBBZRLHBP-LJQANCHMSA-N 1 0 453.558 4.878 20 0 JJADRO CCOc1ccccc1[C@@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)NC(=O)OC(C)(C)C ZINC001443095560 1066266836 /nfs/dbraw/zinc/26/68/36/1066266836.db2.gz DMWMGWOVLXOYTM-JOCHJYFZSA-N 1 0 455.599 4.784 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CCCCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC1 ZINC001454302846 1066267000 /nfs/dbraw/zinc/26/70/00/1066267000.db2.gz RQHDDJOYEDMAEX-ZEQRLZLVSA-N 1 0 455.643 4.679 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001443103966 1066268701 /nfs/dbraw/zinc/26/87/01/1066268701.db2.gz OJLCWPOPBJAEIS-HSZRJFAPSA-N 1 0 457.659 4.784 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001443109717 1066270147 /nfs/dbraw/zinc/27/01/47/1066270147.db2.gz VADZLDKLTNBUGT-YIXXDRMTSA-N 1 0 457.659 4.831 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001443109654 1066270337 /nfs/dbraw/zinc/27/03/37/1066270337.db2.gz VADZLDKLTNBUGT-HOFKKMOUSA-N 1 0 457.659 4.831 20 0 JJADRO CC[C@@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[NH+](CC(C)C)CC2)O1 ZINC001546060040 1066271542 /nfs/dbraw/zinc/27/15/42/1066271542.db2.gz UQTIVUDEIRPQHN-LVXARBLLSA-N 1 0 487.714 4.705 20 0 JJADRO Cc1cc(-c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361046160 1066274602 /nfs/dbraw/zinc/27/46/02/1066274602.db2.gz XNDZZUFBCJDWNN-YADHBBJMSA-N 1 0 464.658 4.641 20 0 JJADRO CCCc1nc(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)nn1-c1ccccc1Cl ZINC001443166247 1066276433 /nfs/dbraw/zinc/27/64/33/1066276433.db2.gz OROMGYAPMIHBFH-NRFANRHFSA-N 1 0 452.002 4.830 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001361048330 1066276927 /nfs/dbraw/zinc/27/69/27/1066276927.db2.gz VKCZFIRIPWVQGK-QDSKXPNFSA-N 1 0 457.659 4.877 20 0 JJADRO Cc1ccc(-n2ncc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c2C(F)(F)F)cc1 ZINC001361047978 1066276977 /nfs/dbraw/zinc/27/69/77/1066276977.db2.gz NTPAJEOOAMRQGW-XMSQKQJNSA-N 1 0 456.512 4.840 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001361048329 1066277146 /nfs/dbraw/zinc/27/71/46/1066277146.db2.gz VKCZFIRIPWVQGK-HUVFLSCGSA-N 1 0 457.659 4.877 20 0 JJADRO Cc1csc(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1I ZINC001443173056 1066277357 /nfs/dbraw/zinc/27/73/57/1066277357.db2.gz YQCMGPNSCHSODN-INIZCTEOSA-N 1 0 454.377 4.618 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545955050 1066277417 /nfs/dbraw/zinc/27/74/17/1066277417.db2.gz OKOAXFSSKQQTGE-VIZSFHNOSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399492 1066277460 /nfs/dbraw/zinc/27/74/60/1066277460.db2.gz FWUGBIXKESPMOR-LGVFNWMJSA-N 1 0 457.659 4.687 20 0 JJADRO C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399498 1066277635 /nfs/dbraw/zinc/27/76/35/1066277635.db2.gz FWUGBIXKESPMOR-PQNGQFLHSA-N 1 0 457.659 4.687 20 0 JJADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(I)c(Cl)c1 ZINC001443188333 1066277849 /nfs/dbraw/zinc/27/78/49/1066277849.db2.gz SRDASSFCNUQFMR-UHFFFAOYSA-N 1 0 456.755 4.669 20 0 JJADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC001443188369 1066278015 /nfs/dbraw/zinc/27/80/15/1066278015.db2.gz SWLBGPPGTYSKLJ-XMMPIXPASA-N 1 0 451.611 4.631 20 0 JJADRO C[C@]12CN(C(=O)CSc3ccccc3Br)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001454405004 1066279149 /nfs/dbraw/zinc/27/91/49/1066279149.db2.gz OORPSLZWXXJIDQ-ZRZAMGCNSA-N 1 0 459.453 4.912 20 0 JJADRO Cc1nc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC001454404744 1066279309 /nfs/dbraw/zinc/27/93/09/1066279309.db2.gz MQXHQKIRJKFUEW-QRWLVFNGSA-N 1 0 458.393 4.523 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC(=O)c1ccc(Br)c(F)c1 ZINC001454423429 1066281639 /nfs/dbraw/zinc/28/16/39/1066281639.db2.gz JMNAKAKHIXYXOF-WOJBJXKFSA-N 1 0 475.402 4.681 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546061581 1066282370 /nfs/dbraw/zinc/28/23/70/1066282370.db2.gz BZILEZGXMLIHRI-KKPNIWNPSA-N 1 0 473.637 4.683 20 0 JJADRO C[NH+](C)C1(C)CCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)CC1 ZINC001454447295 1066282935 /nfs/dbraw/zinc/28/29/35/1066282935.db2.gz UITNMBASXVIETF-UHFFFAOYSA-N 1 0 458.628 4.637 20 0 JJADRO Cc1cc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001361050289 1066284341 /nfs/dbraw/zinc/28/43/41/1066284341.db2.gz WSZKXMBXKFEAFT-JOCHJYFZSA-N 1 0 464.658 4.783 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(F)(F)F)[NH+]1CCCC1 ZINC001545956723 1066290417 /nfs/dbraw/zinc/29/04/17/1066290417.db2.gz HXDZRPOBOWEPQX-MRXNPFEDSA-N 1 0 460.342 4.581 20 0 JJADRO O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001443301699 1066292407 /nfs/dbraw/zinc/29/24/07/1066292407.db2.gz WGZBJERJJUEZMK-GFCCVEGCSA-N 1 0 451.302 4.734 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(CC(C)C)C(C)C)[NH+]1CCCC1 ZINC001545956912 1066295266 /nfs/dbraw/zinc/29/52/66/1066295266.db2.gz LBALBESJNSNBPD-IBGZPJMESA-N 1 0 465.484 4.791 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(CC)C1)[NH+]1CCCC1 ZINC001545957100 1066296367 /nfs/dbraw/zinc/29/63/67/1066296367.db2.gz OYSGLUWUOYTKBE-AVRDEDQJSA-N 1 0 463.468 4.547 20 0 JJADRO O=C(CN[C@H](c1ccccc1)C(F)(F)F)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001443359941 1066301148 /nfs/dbraw/zinc/30/11/48/1066301148.db2.gz VCNLBIGULOFKHI-IFMALSPDSA-N 1 0 453.936 4.704 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1ccc(Cl)c(Cl)c1 ZINC001454573394 1066303269 /nfs/dbraw/zinc/30/32/69/1066303269.db2.gz CSNLJFFOYFCWSK-QGZVFWFLSA-N 1 0 456.370 4.644 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)c(Cl)c1 ZINC001454573469 1066303419 /nfs/dbraw/zinc/30/34/19/1066303419.db2.gz DSGFDXOSUPKPCR-JLSDUUJJSA-N 1 0 458.430 4.652 20 0 JJADRO C[NH+](C)CCCOc1ccc(CNC(=O)C2(c3cccc(Br)c3)CCCC2)cc1 ZINC001443396811 1066305873 /nfs/dbraw/zinc/30/58/73/1066305873.db2.gz ZDHMQGKYKXBNPH-UHFFFAOYSA-N 1 0 459.428 4.908 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC001361066621 1066306350 /nfs/dbraw/zinc/30/63/50/1066306350.db2.gz MPGIJRDTGQINFZ-KDURUIRLSA-N 1 0 484.620 4.686 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)no1 ZINC001361066878 1066307412 /nfs/dbraw/zinc/30/74/12/1066307412.db2.gz WOCOOMSIGXWIFV-HSZRJFAPSA-N 1 0 487.048 4.954 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3c[nH]cc3-c3ccc(C)s3)CC2)c1C ZINC001443416727 1066308332 /nfs/dbraw/zinc/30/83/32/1066308332.db2.gz ZNPUNWBQAAEOKD-UHFFFAOYSA-N 1 0 452.624 4.809 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001546063754 1066309112 /nfs/dbraw/zinc/30/91/12/1066309112.db2.gz BUBJZUCSMBQIMJ-QFIPXVFZSA-N 1 0 463.468 4.927 20 0 JJADRO Cc1cc(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)no1 ZINC001361070290 1066309288 /nfs/dbraw/zinc/30/92/88/1066309288.db2.gz IGJKSVRCOPDHGN-UHFFFAOYSA-N 1 0 487.446 4.609 20 0 JJADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)CC1 ZINC001443432874 1066310509 /nfs/dbraw/zinc/31/05/09/1066310509.db2.gz UOMIPQYTNGVHDY-KRWDZBQOSA-N 1 0 450.023 4.634 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccco1)C(C)C)[NH+]1CCCC1 ZINC001545958442 1066310853 /nfs/dbraw/zinc/31/08/53/1066310853.db2.gz CYNWOCNGKJMVKN-SFHVURJKSA-N 1 0 475.435 4.918 20 0 JJADRO CCN(CC)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001454633610 1066312945 /nfs/dbraw/zinc/31/29/45/1066312945.db2.gz MCPADHPMZUIBNU-WUFINQPMSA-N 1 0 457.618 4.939 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001546064062 1066313734 /nfs/dbraw/zinc/31/37/34/1066313734.db2.gz ILNZSBUVXPXOTM-UGKGYDQZSA-N 1 0 463.468 4.783 20 0 JJADRO CN1CCN(c2cc[nH+]c(NC(=O)[C@H](Sc3cc(F)ccc3F)c3ccccc3)c2)CC1 ZINC001454649890 1066314409 /nfs/dbraw/zinc/31/44/09/1066314409.db2.gz NSRYNFFSKFCEEF-HSZRJFAPSA-N 1 0 454.546 4.584 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001545959106 1066316690 /nfs/dbraw/zinc/31/66/90/1066316690.db2.gz PQRNWPRVTGKYCL-OALUTQOASA-N 1 0 451.537 4.607 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001546064241 1066317738 /nfs/dbraw/zinc/31/77/38/1066317738.db2.gz LLRJJIZCQFUDPX-NIYFSFCBSA-N 1 0 499.681 4.962 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001443551714 1066328468 /nfs/dbraw/zinc/32/84/68/1066328468.db2.gz OZWHTPYRYWWWIH-XZOQPEGZSA-N 1 0 457.659 4.973 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)cc1)C(C)C ZINC001454739388 1066329415 /nfs/dbraw/zinc/32/94/15/1066329415.db2.gz KLPMPBBEIOJSQY-OAQYLSRUSA-N 1 0 453.410 4.736 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001454751258 1066330961 /nfs/dbraw/zinc/33/09/61/1066330961.db2.gz SQRSYKCPCRCPGK-FQEVSTJZSA-N 1 0 459.432 4.670 20 0 JJADRO CCOC(=O)Nc1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001443578924 1066331257 /nfs/dbraw/zinc/33/12/57/1066331257.db2.gz LFYQFQLCCKNFNH-NHCUHLMSSA-N 1 0 451.548 4.533 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001361088822 1066333126 /nfs/dbraw/zinc/33/31/26/1066333126.db2.gz LYKAQHCTDKEXRR-NQIIRXRSSA-N 1 0 472.033 4.994 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001361088821 1066333195 /nfs/dbraw/zinc/33/31/95/1066333195.db2.gz LYKAQHCTDKEXRR-GHTZIAJQSA-N 1 0 472.033 4.994 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C)C1)[NH+]1CCCC1 ZINC001545960343 1066333465 /nfs/dbraw/zinc/33/34/65/1066333465.db2.gz BJFUJQIQCGFUCB-CABCVRRESA-N 1 0 470.506 4.585 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001361089663 1066337299 /nfs/dbraw/zinc/33/72/99/1066337299.db2.gz ZFVKOYRZRLGPIR-TZIWHRDSSA-N 1 0 492.133 4.783 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001546065922 1066337385 /nfs/dbraw/zinc/33/73/85/1066337385.db2.gz CFJSBPDYUKDZDQ-OUTSHDOLSA-N 1 0 494.728 4.812 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001546065941 1066337964 /nfs/dbraw/zinc/33/79/64/1066337964.db2.gz CMIHVCFQLWTRSM-SANMLTNESA-N 1 0 455.647 4.852 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1nccs1 ZINC001361090511 1066339074 /nfs/dbraw/zinc/33/90/74/1066339074.db2.gz GRICXOPXPFPMDH-UHFFFAOYSA-N 1 0 489.089 4.534 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001361091557 1066340875 /nfs/dbraw/zinc/34/08/75/1066340875.db2.gz QPMZABINRFKRFW-TZIWHRDSSA-N 1 0 492.133 4.925 20 0 JJADRO Cc1cc(F)ccc1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001361092213 1066343122 /nfs/dbraw/zinc/34/31/22/1066343122.db2.gz BNVQLKJXLBRUOM-UHFFFAOYSA-N 1 0 489.437 4.504 20 0 JJADRO COc1ccccc1Cn1cnc2cc(C(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)ccc21 ZINC001443642029 1066343501 /nfs/dbraw/zinc/34/35/01/1066343501.db2.gz LLXMCNHTWIVZKZ-UHFFFAOYSA-N 1 0 456.590 4.863 20 0 JJADRO Cc1cc(F)ccc1CCn1c(Cc2cccnc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001361094794 1066345508 /nfs/dbraw/zinc/34/55/08/1066345508.db2.gz KLMXRZUGPHQVAH-UHFFFAOYSA-N 1 0 464.633 4.511 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+](C)CCCOC)C1 ZINC001546066935 1066345826 /nfs/dbraw/zinc/34/58/26/1066345826.db2.gz XZBFMBKZBRFSEM-QFIPXVFZSA-N 1 0 498.897 4.956 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001546066962 1066347618 /nfs/dbraw/zinc/34/76/18/1066347618.db2.gz YPXVEEOCZFQVTA-IBVKSMDESA-N 1 0 455.647 4.711 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001454974625 1066348875 /nfs/dbraw/zinc/34/88/75/1066348875.db2.gz KGSPDTWMAJDZAJ-LJQANCHMSA-N 1 0 451.489 4.727 20 0 JJADRO Cc1cccc(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001361099194 1066349336 /nfs/dbraw/zinc/34/93/36/1066349336.db2.gz CFQBRQUJBIUCJW-CAVYSCNFSA-N 1 0 469.674 4.906 20 0 JJADRO Cc1cccc(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001361099926 1066349772 /nfs/dbraw/zinc/34/97/72/1066349772.db2.gz PSDSIJHFDRPEGM-FQRUVTKNSA-N 1 0 461.614 4.512 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cc(C)on1)[NH+]1CCCC1 ZINC001545961122 1066350365 /nfs/dbraw/zinc/35/03/65/1066350365.db2.gz OWCBHKSDGRDDEH-HXUWFJFHSA-N 1 0 473.419 4.515 20 0 JJADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)C2)cc1 ZINC001455008642 1066352845 /nfs/dbraw/zinc/35/28/45/1066352845.db2.gz FYUANLQAMSAEJW-HXUWFJFHSA-N 1 0 456.011 4.617 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546068136 1066356718 /nfs/dbraw/zinc/35/67/18/1066356718.db2.gz ITIUARQSBMAGQQ-QPPBQGQZSA-N 1 0 490.490 4.691 20 0 JJADRO Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC001361111225 1066361555 /nfs/dbraw/zinc/36/15/55/1066361555.db2.gz XYKNNOAECIQJTD-VMODYCNZSA-N 1 0 493.700 4.505 20 0 JJADRO Cc1cccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361112477 1066363332 /nfs/dbraw/zinc/36/33/32/1066363332.db2.gz XWRQZYXXKZGJKU-VXNXHJTFSA-N 1 0 483.701 4.752 20 0 JJADRO Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361112475 1066363406 /nfs/dbraw/zinc/36/34/06/1066363406.db2.gz XWRQZYXXKZGJKU-KMDXXIMOSA-N 1 0 483.701 4.752 20 0 JJADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001443765538 1066364147 /nfs/dbraw/zinc/36/41/47/1066364147.db2.gz XIZGBDOSCAUVCL-OAQYLSRUSA-N 1 0 458.400 4.696 20 0 JJADRO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001443765270 1066364464 /nfs/dbraw/zinc/36/44/64/1066364464.db2.gz CTWPLOZJKIBWDB-HSZRJFAPSA-N 1 0 454.636 4.641 20 0 JJADRO COCCc1ccc(Oc2ccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)cc2)cc1 ZINC001443770290 1066365479 /nfs/dbraw/zinc/36/54/79/1066365479.db2.gz ODKUWNZYNKBSIH-UHFFFAOYSA-N 1 0 459.590 4.668 20 0 JJADRO Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC001361115461 1066367147 /nfs/dbraw/zinc/36/71/47/1066367147.db2.gz LIEBQEOTFDTFKE-HXUWFJFHSA-N 1 0 486.730 4.563 20 0 JJADRO CC(C)N1C(=O)C[C@@H](C(=O)N(C)CCCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001455200289 1066369685 /nfs/dbraw/zinc/36/96/85/1066369685.db2.gz UYSZXJHASPWZHH-AUSIDOKSSA-N 1 0 452.014 4.502 20 0 JJADRO O=C(N[C@H](CO)c1ccc(Br)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001455231191 1066374153 /nfs/dbraw/zinc/37/41/53/1066374153.db2.gz NSWQDJPPVXWJKP-RBZQAINGSA-N 1 0 471.439 4.537 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1Cl ZINC001443852123 1066376827 /nfs/dbraw/zinc/37/68/27/1066376827.db2.gz TYXFEIBXUYPEMC-UHFFFAOYSA-N 1 0 459.974 4.830 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC([NH2+]C(C)C)CC1)Oc1cccc(F)c1 ZINC001545962908 1066377044 /nfs/dbraw/zinc/37/70/44/1066377044.db2.gz MIDPUFKQZPCPRG-OAQYLSRUSA-N 1 0 455.578 4.810 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C3CCC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361124075 1066377177 /nfs/dbraw/zinc/37/71/77/1066377177.db2.gz WBRSNDWGPVDXLD-VWLOTQADSA-N 1 0 457.688 4.715 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545962935 1066378720 /nfs/dbraw/zinc/37/87/20/1066378720.db2.gz MUYDPXBSQHBGQM-RDPSFJRHSA-N 1 0 453.675 4.978 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[NH+]2CCCC2)c1 ZINC001361125717 1066379244 /nfs/dbraw/zinc/37/92/44/1066379244.db2.gz BBUWMONJEZKGIW-QFIPXVFZSA-N 1 0 469.674 4.779 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001546070978 1066380138 /nfs/dbraw/zinc/38/01/38/1066380138.db2.gz UEGWDEBEDPVFJV-BVAGGSTKSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001361125971 1066381437 /nfs/dbraw/zinc/38/14/37/1066381437.db2.gz IDRUEACSCYSTFB-WXFUMESZSA-N 1 0 483.701 4.761 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001545963078 1066382788 /nfs/dbraw/zinc/38/27/88/1066382788.db2.gz PRZJROMMHZXFMC-OAQYLSRUSA-N 1 0 455.578 4.764 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361126372 1066384260 /nfs/dbraw/zinc/38/42/60/1066384260.db2.gz QVAGSQTYVJLCOK-KMDXXIMOSA-N 1 0 483.701 4.738 20 0 JJADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001443909809 1066384787 /nfs/dbraw/zinc/38/47/87/1066384787.db2.gz QMQUQJOMCRPNGC-FQEVSTJZSA-N 1 0 457.659 4.539 20 0 JJADRO COc1ccc(-c2cncc(C(=O)NCC3([NH2+][C@H](C)c4ccccc4)CCOCC3)c2)c(C)c1 ZINC001443929370 1066386613 /nfs/dbraw/zinc/38/66/13/1066386613.db2.gz PWECKANGOLTWOR-OAQYLSRUSA-N 1 0 459.590 4.695 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC3(C)C)n2CC[NH+]2CCSCC2)c1 ZINC001361127274 1066387503 /nfs/dbraw/zinc/38/75/03/1066387503.db2.gz GRFCOONZLLEKCO-UHFFFAOYSA-N 1 0 457.688 4.717 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)OC ZINC001545963371 1066387694 /nfs/dbraw/zinc/38/76/94/1066387694.db2.gz VISQXUZLHDZWDO-FQEVSTJZSA-N 1 0 492.506 4.999 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2C[C@@](C)(O)C(C)C)c1 ZINC001361127869 1066390026 /nfs/dbraw/zinc/39/00/26/1066390026.db2.gz PNNCGRMEPYRDAC-NEKDWFFYSA-N 1 0 483.701 4.761 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC2(C)COC2)c1 ZINC001361128092 1066390335 /nfs/dbraw/zinc/39/03/35/1066390335.db2.gz SFSIVXNFBPNGQZ-UHFFFAOYSA-N 1 0 483.701 4.882 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2ncccc2C)c1 ZINC001361128140 1066391122 /nfs/dbraw/zinc/39/11/22/1066391122.db2.gz SYCXTFOZULOMSD-UHFFFAOYSA-N 1 0 476.669 4.961 20 0 JJADRO C[C@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)C1([NH+]2CCOCC2)CCCC1 ZINC001443991062 1066391962 /nfs/dbraw/zinc/39/19/62/1066391962.db2.gz FVHGDJHCEJGJNM-FQEVSTJZSA-N 1 0 457.014 4.611 20 0 JJADRO CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455455998 1066392405 /nfs/dbraw/zinc/39/24/05/1066392405.db2.gz MXPNIBSDIOBXKJ-BJKOFHAPSA-N 1 0 459.556 4.578 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CSCCS2)c1 ZINC001361131054 1066397872 /nfs/dbraw/zinc/39/78/72/1066397872.db2.gz WPWPWTJGAFETQD-OAQYLSRUSA-N 1 0 489.755 4.668 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@H]3C)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001361131184 1066398376 /nfs/dbraw/zinc/39/83/76/1066398376.db2.gz BAPUPWMBHCPNDU-NFBKMPQASA-N 1 0 483.682 4.878 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@@H]3C)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361131598 1066400123 /nfs/dbraw/zinc/40/01/23/1066400123.db2.gz LUAOXWXCLWQMFP-SFTDATJTSA-N 1 0 457.688 4.715 20 0 JJADRO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001444074802 1066400253 /nfs/dbraw/zinc/40/02/53/1066400253.db2.gz BTBNEZRHHWJONP-GOSISDBHSA-N 1 0 459.619 4.715 20 0 JJADRO C[C@@H]([NH2+]C1(CNC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)CCCC1)c1ccccc1 ZINC001444095217 1066405562 /nfs/dbraw/zinc/40/55/62/1066405562.db2.gz WUZWEMVPENDYKL-MOPGFXCFSA-N 1 0 457.615 4.666 20 0 JJADRO CCC(CC)(CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[NH2+][C@H](C)c1ccccc1 ZINC001444095304 1066405651 /nfs/dbraw/zinc/40/56/51/1066405651.db2.gz UJSDJINOHQGNMM-QGZVFWFLSA-N 1 0 459.516 4.926 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(N(C)C(C)=O)CC1)[NH+]1CCCC1 ZINC001545964446 1066407668 /nfs/dbraw/zinc/40/76/68/1066407668.db2.gz DUFQDJSJNSIKSI-IBGZPJMESA-N 1 0 493.483 4.573 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC001545964714 1066411751 /nfs/dbraw/zinc/41/17/51/1066411751.db2.gz JGXKMJLORZOBNP-JOCHJYFZSA-N 1 0 469.033 4.519 20 0 JJADRO O=C(Cc1cc(Br)ccc1F)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444134376 1066411770 /nfs/dbraw/zinc/41/17/70/1066411770.db2.gz LKMQWYIDIAYVBN-KRWDZBQOSA-N 1 0 459.281 4.540 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3nnc(C(C)C)o3)C2)[NH+](C)C)cc1 ZINC001361138439 1066413692 /nfs/dbraw/zinc/41/36/92/1066413692.db2.gz AEKGNEJFAPDEAE-YADHBBJMSA-N 1 0 495.672 4.562 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOC(C)(C)C)[NH+](C)C)cc1 ZINC001361139238 1066414457 /nfs/dbraw/zinc/41/44/57/1066414457.db2.gz GRFOLRIBYIOHCQ-NRFANRHFSA-N 1 0 471.049 4.856 20 0 JJADRO COc1ccccc1Oc1ccc(CNC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC001444141796 1066414549 /nfs/dbraw/zinc/41/45/49/1066414549.db2.gz VIQDMNLAPVSKBU-UHFFFAOYSA-N 1 0 459.590 4.624 20 0 JJADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(NCc2ccccn2)c1 ZINC001444141864 1066414585 /nfs/dbraw/zinc/41/45/85/1066414585.db2.gz VQTQLKCBKPSJSF-QHCPKHFHSA-N 1 0 454.496 4.717 20 0 JJADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)C2)n1 ZINC001361139642 1066415833 /nfs/dbraw/zinc/41/58/33/1066415833.db2.gz NCXXFZKHBBUJKS-BJKOFHAPSA-N 1 0 478.689 4.528 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)CCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC001361139618 1066415851 /nfs/dbraw/zinc/41/58/51/1066415851.db2.gz MVEJMRCVAUXWIF-NRFANRHFSA-N 1 0 458.532 4.874 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)o1 ZINC001361139946 1066416224 /nfs/dbraw/zinc/41/62/24/1066416224.db2.gz RZVKSEKKCVDYMY-RXVVDRJESA-N 1 0 490.574 4.531 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2cnc(C(C)C)nc2)[NH+](C)C)cc1 ZINC001361139928 1066416264 /nfs/dbraw/zinc/41/62/64/1066416264.db2.gz RSUBOOBFLXFELB-DEOSSOPVSA-N 1 0 470.625 4.501 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)[NH+]2CCCC2)cc1 ZINC001361139774 1066416301 /nfs/dbraw/zinc/41/63/01/1066416301.db2.gz PDMWYQHVLJNXQT-NRFANRHFSA-N 1 0 493.618 4.906 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC2CC(F)C2)[NH+](C)C)cc1 ZINC001361140289 1066417112 /nfs/dbraw/zinc/41/71/12/1066417112.db2.gz YCQQSWXJTHTGCV-JITJBCMDSA-N 1 0 456.997 4.789 20 0 JJADRO Cc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC001361140691 1066418882 /nfs/dbraw/zinc/41/88/82/1066418882.db2.gz FMIGGYRJIUYWLO-WOJBJXKFSA-N 1 0 451.537 4.520 20 0 JJADRO Cc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361141008 1066419455 /nfs/dbraw/zinc/41/94/55/1066419455.db2.gz JWJFVHAJFUMVCY-VXKWHMMOSA-N 1 0 494.709 4.753 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](C)CC2)[NH+](C)C)cc1 ZINC001361140935 1066419480 /nfs/dbraw/zinc/41/94/80/1066419480.db2.gz JEFMSJUELQLWCD-DENIHFKCSA-N 1 0 480.682 4.507 20 0 JJADRO Cc1ccc([C@@H](Cn2c(Cc3ccsc3)nnc2N2CC(C)(C)OC(C)(C)C2)[NH+](C)C)cc1 ZINC001361140898 1066419527 /nfs/dbraw/zinc/41/95/27/1066419527.db2.gz ILHDTAHJBURNIO-JOCHJYFZSA-N 1 0 467.683 4.936 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC=C(C)C1)[NH+]1CCCC1 ZINC001545965304 1066420923 /nfs/dbraw/zinc/42/09/23/1066420923.db2.gz VFZWQOFTKQEBPX-GOSISDBHSA-N 1 0 462.411 4.878 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CCCC[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361141607 1066420865 /nfs/dbraw/zinc/42/08/65/1066420865.db2.gz ONILNKMNWMUVMC-RWCIVJTCSA-N 1 0 469.674 4.556 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361142204 1066423685 /nfs/dbraw/zinc/42/36/85/1066423685.db2.gz VLKMXEJAXICGLD-RPBOFIJWSA-N 1 0 494.728 4.753 20 0 JJADRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(CNC(=O)c4ccc(C(F)(F)F)cc4)cc3)C[N@@H+]2C1 ZINC001444176521 1066425641 /nfs/dbraw/zinc/42/56/41/1066425641.db2.gz PIJWPGUGQCACKK-WVBUVRCRSA-N 1 0 459.512 4.694 20 0 JJADRO O=C(N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1)c1ccc(SC(F)(F)F)o1 ZINC001455716398 1066426086 /nfs/dbraw/zinc/42/60/86/1066426086.db2.gz JUCXTGQOCOEDMI-KRWDZBQOSA-N 1 0 454.514 4.835 20 0 JJADRO Cc1ccc(C)c(N2CCN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3CCCCC3)CC2)c1 ZINC001361145490 1066428811 /nfs/dbraw/zinc/42/88/11/1066428811.db2.gz ZDOXHPDLNZJSAR-UHFFFAOYSA-N 1 0 452.691 4.685 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001361145846 1066430268 /nfs/dbraw/zinc/43/02/68/1066430268.db2.gz LAPKFHKQXVUNKZ-QHCPKHFHSA-N 1 0 482.698 4.996 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCCC1 ZINC001545966268 1066431773 /nfs/dbraw/zinc/43/17/73/1066431773.db2.gz BBHXMMSLCGVUOV-RBBKRZOGSA-N 1 0 485.673 4.619 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC1CC(F)C1)[NH+]1CCCC1 ZINC001545966327 1066432482 /nfs/dbraw/zinc/43/24/82/1066432482.db2.gz BVNKEUYHQWDNEN-NKELODKYSA-N 1 0 494.453 4.775 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CC[NH+]2CCCCC2)s1 ZINC001361146274 1066432399 /nfs/dbraw/zinc/43/23/99/1066432399.db2.gz YEIVRLWBAAXENI-UHFFFAOYSA-N 1 0 453.656 4.966 20 0 JJADRO C[C@H](C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001444249357 1066435391 /nfs/dbraw/zinc/43/53/91/1066435391.db2.gz RKAMEMKMTUXMJU-HUVFLSCGSA-N 1 0 457.659 4.529 20 0 JJADRO COC(=O)Nc1cc(C(=O)Nc2ccc(C[N@H+](C)CCOc3ccccc3)cc2)ccc1F ZINC001455812684 1066436748 /nfs/dbraw/zinc/43/67/48/1066436748.db2.gz YJUPGZUGFLDZMY-UHFFFAOYSA-N 1 0 451.498 4.767 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001455821266 1066438368 /nfs/dbraw/zinc/43/83/68/1066438368.db2.gz DOIKFPOTEXDNKS-MHZLTWQESA-N 1 0 455.643 4.538 20 0 JJADRO CCOC(=O)[C@@H](C[C@H](C)CC)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001455828115 1066439690 /nfs/dbraw/zinc/43/96/90/1066439690.db2.gz MWRNRLJYRAHYDA-JFWNMISASA-N 1 0 450.623 4.695 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361151239 1066442075 /nfs/dbraw/zinc/44/20/75/1066442075.db2.gz FQFQUYCFAGHBGG-SIKLNZKXSA-N 1 0 495.590 4.504 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361151620 1066443345 /nfs/dbraw/zinc/44/33/45/1066443345.db2.gz CCXLETAGCMNIEE-IBGZPJMESA-N 1 0 465.564 4.737 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361152043 1066445216 /nfs/dbraw/zinc/44/52/16/1066445216.db2.gz HMCFZRJTVYVSKL-KELGSRBJSA-N 1 0 483.701 4.844 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001361153347 1066449075 /nfs/dbraw/zinc/44/90/75/1066449075.db2.gz XZBHOJJWDZQDPB-DNQXCXABSA-N 1 0 483.701 4.847 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[NH+]2CCCC2)C1 ZINC001546077516 1066450121 /nfs/dbraw/zinc/45/01/21/1066450121.db2.gz QEAHWMCGPFLIJT-VWLOTQADSA-N 1 0 460.066 4.974 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCCCC1)[NH+]1CCCC1 ZINC001545966857 1066451254 /nfs/dbraw/zinc/45/12/54/1066451254.db2.gz LNONUGGTWMMPHY-QFIPXVFZSA-N 1 0 455.647 4.996 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCCCC1)[NH+]1CCCC1 ZINC001545966856 1066451267 /nfs/dbraw/zinc/45/12/67/1066451267.db2.gz LNONUGGTWMMPHY-JOCHJYFZSA-N 1 0 455.647 4.996 20 0 JJADRO Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001444340623 1066451771 /nfs/dbraw/zinc/45/17/71/1066451771.db2.gz CHKBPXPTUIEOHN-UHFFFAOYSA-N 1 0 452.002 4.771 20 0 JJADRO CCc1ccc(CN2CCN(C(=O)c3ccccc3OCC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001444346087 1066452618 /nfs/dbraw/zinc/45/26/18/1066452618.db2.gz KEERYUCDKMDYEH-NRFANRHFSA-N 1 0 455.668 4.522 20 0 JJADRO C[C@H]1[C@@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC001455953862 1066459487 /nfs/dbraw/zinc/45/94/87/1066459487.db2.gz WZBAIIZZPMICAY-UGSOOPFHSA-N 1 0 452.407 4.547 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCOC(C)(C)C)c1 ZINC001361158900 1066461970 /nfs/dbraw/zinc/46/19/70/1066461970.db2.gz HQYQBGCOKZHRIX-UHFFFAOYSA-N 1 0 457.663 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C4CCC4)CC3)n2CCSCC(C)C)c1 ZINC001361159966 1066465821 /nfs/dbraw/zinc/46/58/21/1066465821.db2.gz PNTKRUAVUUXUOI-UHFFFAOYSA-N 1 0 457.688 4.538 20 0 JJADRO COc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1OC1CCCC1 ZINC001455980715 1066465920 /nfs/dbraw/zinc/46/59/20/1066465920.db2.gz BJTWLAXVKQKCSK-UHFFFAOYSA-N 1 0 455.574 4.938 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3c(Cl)nc4cc(Cl)ccn43)cc2F)CC1 ZINC001455982712 1066466542 /nfs/dbraw/zinc/46/65/42/1066466542.db2.gz GRBSYZDSDOAODU-UHFFFAOYSA-N 1 0 450.345 4.563 20 0 JJADRO CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)co1 ZINC001361161455 1066467017 /nfs/dbraw/zinc/46/70/17/1066467017.db2.gz YVWFAUNRPUWJMT-GHUXWVSLSA-N 1 0 450.579 4.763 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001361162628 1066470141 /nfs/dbraw/zinc/47/01/41/1066470141.db2.gz DSPWKMLXVDGGOY-QPPBQGQZSA-N 1 0 471.715 4.784 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001361162640 1066470995 /nfs/dbraw/zinc/47/09/95/1066470995.db2.gz DSPWKMLXVDGGOY-ZJSXRUAMSA-N 1 0 471.715 4.784 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361163540 1066473224 /nfs/dbraw/zinc/47/32/24/1066473224.db2.gz NPDHPPCKHMQFTL-FCHUYYIVSA-N 1 0 457.688 4.536 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC001444551413 1066474115 /nfs/dbraw/zinc/47/41/15/1066474115.db2.gz LWHRXFLHJZFKPY-IBGZPJMESA-N 1 0 454.521 4.662 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361164164 1066474802 /nfs/dbraw/zinc/47/48/02/1066474802.db2.gz XKIDCGSJCYHBOW-XPWALMASSA-N 1 0 471.715 4.925 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC001444557230 1066474734 /nfs/dbraw/zinc/47/47/34/1066474734.db2.gz RTDUKQNHAPZZOK-FIPFOOKPSA-N 1 0 450.623 4.772 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001444554805 1066474964 /nfs/dbraw/zinc/47/49/64/1066474964.db2.gz PPOTYTYPYAWMSQ-XMMPIXPASA-N 1 0 457.659 4.784 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCC[N@H+](C)C(C)C)CC2)cc1 ZINC001361165264 1066476406 /nfs/dbraw/zinc/47/64/06/1066476406.db2.gz FJANTCRBEIWEGY-GDLZYMKVSA-N 1 0 497.728 4.916 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CC2)cc1 ZINC001361166217 1066477022 /nfs/dbraw/zinc/47/70/22/1066477022.db2.gz QGXRGYRSDRUBAK-QFIPXVFZSA-N 1 0 494.709 4.647 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3CC3([NH+](C)C)CCCCC3)CC2)cc1 ZINC001361166086 1066477195 /nfs/dbraw/zinc/47/71/95/1066477195.db2.gz PUWPXDLRQHWPSO-UHFFFAOYSA-N 1 0 480.701 4.547 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)o1 ZINC001361169715 1066484009 /nfs/dbraw/zinc/48/40/09/1066484009.db2.gz JIZAVPSEYRUFOX-FGZHOGPDSA-N 1 0 451.615 4.853 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361169664 1066484046 /nfs/dbraw/zinc/48/40/46/1066484046.db2.gz ITYZRBVFCOHYIO-DENIHFKCSA-N 1 0 455.578 4.540 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C[C@H]1C ZINC001444622553 1066485014 /nfs/dbraw/zinc/48/50/14/1066485014.db2.gz XXYJGNVZPAIDPQ-IERDGZPVSA-N 1 0 458.400 4.646 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cc(-c4ccccc4)ns3)CC2)c1C ZINC001456038901 1066486994 /nfs/dbraw/zinc/48/69/94/1066486994.db2.gz OQWNFOLCMGPGOM-UHFFFAOYSA-N 1 0 450.608 4.567 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361171515 1066487298 /nfs/dbraw/zinc/48/72/98/1066487298.db2.gz VSRNTKQBICGYLU-GGAORHGYSA-N 1 0 451.615 4.709 20 0 JJADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)c1ccc(Cl)cc1F ZINC001444647605 1066487933 /nfs/dbraw/zinc/48/79/33/1066487933.db2.gz IMXXLHOQPKINSP-UHFFFAOYSA-N 1 0 455.755 4.515 20 0 JJADRO Cc1ccc(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c(OCC[NH+](C)C)c1 ZINC001444651860 1066488910 /nfs/dbraw/zinc/48/89/10/1066488910.db2.gz QIRIYWVYYIUEIE-UHFFFAOYSA-N 1 0 458.562 4.723 20 0 JJADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccc(Oc2ccccc2)cn1 ZINC001444655490 1066489587 /nfs/dbraw/zinc/48/95/87/1066489587.db2.gz ZSQXCLDLHILRSA-UHFFFAOYSA-N 1 0 451.954 4.801 20 0 JJADRO C[NH+](C)C1(CNC(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)Cc2ccccc2C1 ZINC001444667638 1066490807 /nfs/dbraw/zinc/49/08/07/1066490807.db2.gz LEORXHRRAJTJPR-UHFFFAOYSA-N 1 0 455.389 4.961 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)n2CC[N@H+](C)C2CCCCC2)o1 ZINC001361174111 1066491138 /nfs/dbraw/zinc/49/11/38/1066491138.db2.gz MXGPCWFPJWTRHN-QFIPXVFZSA-N 1 0 492.668 4.767 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC001361175436 1066492667 /nfs/dbraw/zinc/49/26/67/1066492667.db2.gz NCKWSLIEPDTADY-CQSZACIVSA-N 1 0 474.369 4.746 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)o1 ZINC001361175602 1066493372 /nfs/dbraw/zinc/49/33/72/1066493372.db2.gz SCBGFVPURGEMPR-SFHVURJKSA-N 1 0 485.032 4.695 20 0 JJADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 ZINC001361175783 1066493644 /nfs/dbraw/zinc/49/36/44/1066493644.db2.gz CFKZBZPQBXFYLG-UHFFFAOYSA-N 1 0 454.596 4.554 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)ccc1Br ZINC001456051267 1066493714 /nfs/dbraw/zinc/49/37/14/1066493714.db2.gz AJMHRURNLXJSSZ-UHFFFAOYSA-N 1 0 458.169 4.555 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](c2ccco2)[NH+](C)C)cc1Br ZINC001361175945 1066493927 /nfs/dbraw/zinc/49/39/27/1066493927.db2.gz ZENWQLUNVIZZOA-MRXNPFEDSA-N 1 0 486.336 4.910 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001456051928 1066493905 /nfs/dbraw/zinc/49/39/05/1066493905.db2.gz CMUVHEDUGIEPCP-UHFFFAOYSA-N 1 0 452.549 4.759 20 0 JJADRO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001456053331 1066494576 /nfs/dbraw/zinc/49/45/76/1066494576.db2.gz FQEXPBPDLRFZOF-HXUWFJFHSA-N 1 0 452.545 4.913 20 0 JJADRO CN(C)[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)c1ccc(Cl)cc1 ZINC001361176400 1066494643 /nfs/dbraw/zinc/49/46/43/1066494643.db2.gz MZCMGPUUVJDHCR-XMMPIXPASA-N 1 0 457.018 4.786 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC001361177705 1066497010 /nfs/dbraw/zinc/49/70/10/1066497010.db2.gz NJKZNZNPURPTCZ-QZTJIDSGSA-N 1 0 454.619 4.846 20 0 JJADRO COC(=O)Nc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC001456059039 1066497841 /nfs/dbraw/zinc/49/78/41/1066497841.db2.gz WPLKWBQKCMJAHX-UHFFFAOYSA-N 1 0 457.880 4.741 20 0 JJADRO COc1ccc(Br)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001456059544 1066497901 /nfs/dbraw/zinc/49/79/01/1066497901.db2.gz ZJXBYWFKYIERLT-UHFFFAOYSA-N 1 0 459.306 4.681 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC001456058803 1066497984 /nfs/dbraw/zinc/49/79/84/1066497984.db2.gz VARZULDMSMRZMK-UHFFFAOYSA-N 1 0 451.728 4.894 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CCC[N@@H+]2CCCO[C@H](C)C2)o1 ZINC001361179004 1066500167 /nfs/dbraw/zinc/50/01/67/1066500167.db2.gz WWFOLBMOWNRAGS-QGZVFWFLSA-N 1 0 464.035 4.699 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361181082 1066502493 /nfs/dbraw/zinc/50/24/93/1066502493.db2.gz PKXUROZZJFNDCR-OALUTQOASA-N 1 0 455.578 4.510 20 0 JJADRO CCN(CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)CC1)C(=O)OC(C)(C)C ZINC001444767290 1066502610 /nfs/dbraw/zinc/50/26/10/1066502610.db2.gz GQCRMHYZNHVLPK-DEOSSOPVSA-N 1 0 457.659 4.845 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC001361181813 1066504289 /nfs/dbraw/zinc/50/42/89/1066504289.db2.gz XILBPXCXAZJQLF-QGZVFWFLSA-N 1 0 460.026 4.524 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1Br ZINC001361183134 1066505234 /nfs/dbraw/zinc/50/52/34/1066505234.db2.gz GBNQEZONPHLLIO-PKUWUEBNSA-N 1 0 464.427 4.541 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC001361185094 1066508728 /nfs/dbraw/zinc/50/87/28/1066508728.db2.gz YJNUBDIVEHKXSK-FQEVSTJZSA-N 1 0 481.641 4.811 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)o1 ZINC001361185095 1066509229 /nfs/dbraw/zinc/50/92/29/1066509229.db2.gz YJNUBDIVEHKXSK-HXUWFJFHSA-N 1 0 481.641 4.811 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001361187119 1066510948 /nfs/dbraw/zinc/51/09/48/1066510948.db2.gz GEEARTXINSJZSA-OYRHEFFESA-N 1 0 457.663 4.858 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCCc3ccccn3)n2CC[N@H+]2CC=CCC2)cc1Br ZINC001361187193 1066511084 /nfs/dbraw/zinc/51/10/84/1066511084.db2.gz IMIRRYRNIGQUBM-UHFFFAOYSA-N 1 0 495.469 4.742 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC3CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC001361187292 1066511489 /nfs/dbraw/zinc/51/14/89/1066511489.db2.gz LSENVBMQCYILQI-IBGZPJMESA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC3CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC001361187293 1066511576 /nfs/dbraw/zinc/51/15/76/1066511576.db2.gz LSENVBMQCYILQI-LJQANCHMSA-N 1 0 490.490 4.753 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079622 1066513108 /nfs/dbraw/zinc/51/31/08/1066513108.db2.gz QJHUBHJSGHSXPQ-BVFVYWQFSA-N 1 0 473.637 4.510 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361190277 1066515629 /nfs/dbraw/zinc/51/56/29/1066515629.db2.gz HJDCAEZSEYRFNZ-NHCUHLMSSA-N 1 0 451.615 4.620 20 0 JJADRO C[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC001444893532 1066516403 /nfs/dbraw/zinc/51/64/03/1066516403.db2.gz SSVFLUZUNGQJGK-KRWDZBQOSA-N 1 0 453.384 4.576 20 0 JJADRO Cc1nn(CC(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001444943551 1066520440 /nfs/dbraw/zinc/52/04/40/1066520440.db2.gz JDQBQOQGTCPJAT-UHFFFAOYSA-N 1 0 451.468 4.721 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCCCC[NH+]2CCCCC2)o1 ZINC001361195710 1066522377 /nfs/dbraw/zinc/52/23/77/1066522377.db2.gz FBGUGFLPTYUQRS-QUCCMNQESA-N 1 0 469.552 4.659 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCCCC[NH+]2CCCCC2)o1 ZINC001361195708 1066522599 /nfs/dbraw/zinc/52/25/99/1066522599.db2.gz FBGUGFLPTYUQRS-AZUAARDMSA-N 1 0 469.552 4.659 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCCC2)C1 ZINC001546079377 1066523357 /nfs/dbraw/zinc/52/33/57/1066523357.db2.gz LBXZFTDDFUQVGQ-YZIHRLCOSA-N 1 0 474.694 4.551 20 0 JJADRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)C1 ZINC001456158856 1066525463 /nfs/dbraw/zinc/52/54/63/1066525463.db2.gz XFTCTILZGCNFNS-AWEZNQCLSA-N 1 0 451.423 4.975 20 0 JJADRO Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC001444982292 1066526044 /nfs/dbraw/zinc/52/60/44/1066526044.db2.gz AJIMEDOLLPVREC-UHFFFAOYSA-N 1 0 459.631 4.639 20 0 JJADRO O=C(Cc1cccc(OCc2ccccc2Cl)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001444987624 1066526461 /nfs/dbraw/zinc/52/64/61/1066526461.db2.gz PDIJVMHHBOSWDD-UHFFFAOYSA-N 1 0 457.014 4.565 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361200173 1066529981 /nfs/dbraw/zinc/52/99/81/1066529981.db2.gz OTEFGASVKIQBBR-LJQANCHMSA-N 1 0 460.464 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](C)C4(CCC4)C3)n2CCOCC[NH+](C)C)cc1Br ZINC001361201596 1066531473 /nfs/dbraw/zinc/53/14/73/1066531473.db2.gz FHZWDLHYPANXPZ-IBGZPJMESA-N 1 0 490.490 4.611 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361202093 1066532310 /nfs/dbraw/zinc/53/23/10/1066532310.db2.gz LFZQYAJZSHYNOB-SJLPKXTDSA-N 1 0 460.464 4.983 20 0 JJADRO CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCC ZINC001445043927 1066533076 /nfs/dbraw/zinc/53/30/76/1066533076.db2.gz CTJKXKTXJAKEEO-FPOVZHCZSA-N 1 0 452.595 4.708 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001361204208 1066534629 /nfs/dbraw/zinc/53/46/29/1066534629.db2.gz POOZUALIGJYSAJ-TYHYVREOSA-N 1 0 489.730 4.875 20 0 JJADRO CCCc1c(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cnn1-c1cccc(C)c1 ZINC001456200816 1066536222 /nfs/dbraw/zinc/53/62/22/1066536222.db2.gz WWWGFKSJJXIAQB-UHFFFAOYSA-N 1 0 452.643 4.677 20 0 JJADRO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+](C)C)c12 ZINC001445080259 1066536743 /nfs/dbraw/zinc/53/67/43/1066536743.db2.gz AGLZXSBRWWKKIA-LJQANCHMSA-N 1 0 453.999 4.691 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)c1ccc(Cl)cc1 ZINC001445083017 1066537403 /nfs/dbraw/zinc/53/74/03/1066537403.db2.gz GWERJFJRWGCSNC-SNVBAGLBSA-N 1 0 453.661 4.692 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC001361205946 1066537826 /nfs/dbraw/zinc/53/78/26/1066537826.db2.gz YVSUDYYIPRPWGR-INIZCTEOSA-N 1 0 482.417 4.983 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445101226 1066539764 /nfs/dbraw/zinc/53/97/64/1066539764.db2.gz ZPULSSZMEZZTRN-UNIVCBNLSA-N 1 0 467.629 4.512 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC001361208564 1066541384 /nfs/dbraw/zinc/54/13/84/1066541384.db2.gz BHSUSDJMWILTEJ-WOJBJXKFSA-N 1 0 457.663 4.997 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2CCc2ccc(OCC[NH+](C)C)cc2)o1 ZINC001361209146 1066542153 /nfs/dbraw/zinc/54/21/53/1066542153.db2.gz MWGDKGKPIMHQCT-UHFFFAOYSA-N 1 0 495.668 4.814 20 0 JJADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCCOc1cccc2ccccc21 ZINC001445190664 1066544411 /nfs/dbraw/zinc/54/44/11/1066544411.db2.gz QOFVEULVHHTXOX-UHFFFAOYSA-N 1 0 451.655 4.654 20 0 JJADRO CC(C)Nc1ccc(Br)cc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001445227216 1066546932 /nfs/dbraw/zinc/54/69/32/1066546932.db2.gz SPEDLEMCMRVPMF-UHFFFAOYSA-N 1 0 459.432 4.810 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001445229567 1066547610 /nfs/dbraw/zinc/54/76/10/1066547610.db2.gz ZZJMMEPVZUBMNQ-YKSBVNFPSA-N 1 0 451.611 4.537 20 0 JJADRO CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545973005 1066548884 /nfs/dbraw/zinc/54/88/84/1066548884.db2.gz QSRIZTSNZSVCBI-JOCHJYFZSA-N 1 0 482.648 4.839 20 0 JJADRO Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c1 ZINC001445266053 1066549911 /nfs/dbraw/zinc/54/99/11/1066549911.db2.gz BBCCZNRYHCNSSL-UHFFFAOYSA-N 1 0 454.684 4.940 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC001361214246 1066550319 /nfs/dbraw/zinc/55/03/19/1066550319.db2.gz LEUBHQGLBFIXBM-JTHBVZDNSA-N 1 0 498.716 4.737 20 0 JJADRO Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)cc1 ZINC001445277111 1066551919 /nfs/dbraw/zinc/55/19/19/1066551919.db2.gz XCEBIEXAMIZRNR-FOJYNEPKSA-N 1 0 457.659 4.920 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2CC=CCO2)cc1Br ZINC001361218201 1066554490 /nfs/dbraw/zinc/55/44/90/1066554490.db2.gz PKPYJWJILDSCSR-HXUWFJFHSA-N 1 0 488.474 4.672 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2(C)CCOCC2)cc1Br ZINC001361218935 1066555568 /nfs/dbraw/zinc/55/55/68/1066555568.db2.gz XLNRLJPXKLMTRM-UHFFFAOYSA-N 1 0 490.490 4.753 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)C1 ZINC001361220071 1066556808 /nfs/dbraw/zinc/55/68/08/1066556808.db2.gz DGGNNMHXKULYDA-PCCBWWKXSA-N 1 0 468.560 4.657 20 0 JJADRO O=C(c1cccc2c1OC(F)(F)O2)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220481 1066557292 /nfs/dbraw/zinc/55/72/92/1066557292.db2.gz RTNDMGJVZIOJLE-INIZCTEOSA-N 1 0 456.411 4.535 20 0 JJADRO CCc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c2c(CC(C)(C)C)noc2n1 ZINC001456298824 1066557818 /nfs/dbraw/zinc/55/78/18/1066557818.db2.gz ANPJVMDAISPTHW-UHFFFAOYSA-N 1 0 458.672 4.855 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001361221031 1066559535 /nfs/dbraw/zinc/55/95/35/1066559535.db2.gz LXBOISNZLBRLLT-SIKLNZKXSA-N 1 0 494.640 4.595 20 0 JJADRO C[C@@H](CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC001445358597 1066562125 /nfs/dbraw/zinc/56/21/25/1066562125.db2.gz ADPNZTMZVRBYMF-GBXCKJPGSA-N 1 0 451.611 4.548 20 0 JJADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC001445369565 1066563370 /nfs/dbraw/zinc/56/33/70/1066563370.db2.gz ULGPOTPOVOXSHE-IBGZPJMESA-N 1 0 451.489 4.554 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC(C)(C)C(C)C)o1 ZINC001361225864 1066564484 /nfs/dbraw/zinc/56/44/84/1066564484.db2.gz OWMPUDWYQWGIEY-OYRHEFFESA-N 1 0 456.679 4.524 20 0 JJADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546081608 1066565794 /nfs/dbraw/zinc/56/57/94/1066565794.db2.gz SODLGIORDNGUSA-QFQXNSOFSA-N 1 0 496.681 4.517 20 0 JJADRO C[S@](=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001456345422 1066566345 /nfs/dbraw/zinc/56/63/45/1066566345.db2.gz XOYRBKFUOBWRQP-JLELKNTQSA-N 1 0 453.007 4.932 20 0 JJADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)cc2)CC1 ZINC001456351894 1066567782 /nfs/dbraw/zinc/56/77/82/1066567782.db2.gz APYAPDJUVCRDDZ-UHFFFAOYSA-N 1 0 454.880 4.827 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@H](c4ccc(F)cc4F)C3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001361229090 1066567982 /nfs/dbraw/zinc/56/79/82/1066567982.db2.gz MNLDRLCCRXIJSY-QHCPKHFHSA-N 1 0 473.568 4.821 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001361232756 1066573385 /nfs/dbraw/zinc/57/33/85/1066573385.db2.gz WSHWVJGRBILZEL-OPYAIIAOSA-N 1 0 478.454 4.931 20 0 JJADRO CN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001445475209 1066575511 /nfs/dbraw/zinc/57/55/11/1066575511.db2.gz YXIWCTUPORRHMQ-JOCHJYFZSA-N 1 0 457.412 4.925 20 0 JJADRO CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)Oc1ccccc1F ZINC001545975643 1066576471 /nfs/dbraw/zinc/57/64/71/1066576471.db2.gz WCGZCWFDYVASNR-LJQANCHMSA-N 1 0 454.594 4.581 20 0 JJADRO Cc1ccc(N2C(=O)C[C@@H](C(=O)NCCCCC[NH+]3CCCCC3)[C@@H]2c2cccs2)cc1 ZINC001456397989 1066578089 /nfs/dbraw/zinc/57/80/89/1066578089.db2.gz BDFWWWCNTZWOLN-RCZVLFRGSA-N 1 0 453.652 4.923 20 0 JJADRO CCOc1cc2c(cc1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)O[C@@H](C)C2 ZINC001361238498 1066578702 /nfs/dbraw/zinc/57/87/02/1066578702.db2.gz OXOYUINPUFQZDM-UXHICEINSA-N 1 0 452.595 4.592 20 0 JJADRO Cc1ccc(N2C(=O)C[C@@H](C(=O)NCCCCC[NH+]3CCCCC3)[C@H]2c2cccs2)cc1 ZINC001456397990 1066578613 /nfs/dbraw/zinc/57/86/13/1066578613.db2.gz BDFWWWCNTZWOLN-RDGATRHJSA-N 1 0 453.652 4.923 20 0 JJADRO COCCc1ccc(OCCCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001445523110 1066580772 /nfs/dbraw/zinc/58/07/72/1066580772.db2.gz JHPWFTOLDCWVOI-VPUSJEBWSA-N 1 0 450.623 4.548 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445524441 1066581379 /nfs/dbraw/zinc/58/13/79/1066581379.db2.gz OKBXGSREBVHVJN-OBTVHEKISA-N 1 0 455.643 4.537 20 0 JJADRO O=C(CSCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001445527769 1066582460 /nfs/dbraw/zinc/58/24/60/1066582460.db2.gz URMNZMUBNQLDQX-GGAORHGYSA-N 1 0 457.039 4.769 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC001445531744 1066583693 /nfs/dbraw/zinc/58/36/93/1066583693.db2.gz ZJZLZSMMRSDEIW-OFNKIYASSA-N 1 0 450.583 4.555 20 0 JJADRO O=C(CCCc1ccc(Br)cc1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001456436562 1066585514 /nfs/dbraw/zinc/58/55/14/1066585514.db2.gz KGOJVFJJEMEIQI-UHFFFAOYSA-N 1 0 459.428 4.523 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 ZINC001456437879 1066585887 /nfs/dbraw/zinc/58/58/87/1066585887.db2.gz BDVMZEKQJJLVPR-QGZVFWFLSA-N 1 0 459.512 4.788 20 0 JJADRO Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)o1 ZINC001361247134 1066589493 /nfs/dbraw/zinc/58/94/93/1066589493.db2.gz QRFXPVJKLPQTQM-UHFFFAOYSA-N 1 0 478.641 4.807 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC001361249782 1066594153 /nfs/dbraw/zinc/59/41/53/1066594153.db2.gz FPVDRSLLFYRZMY-SFHVURJKSA-N 1 0 489.462 4.704 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2c(Cl)cccc2OCC2CC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001456498456 1066600970 /nfs/dbraw/zinc/60/09/70/1066600970.db2.gz HMSAZMCQCWPUMH-HXUWFJFHSA-N 1 0 455.986 4.547 20 0 JJADRO Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)c1 ZINC001456501080 1066602381 /nfs/dbraw/zinc/60/23/81/1066602381.db2.gz RGKJIAXZPIEIQQ-QHCPKHFHSA-N 1 0 451.611 4.692 20 0 JJADRO COc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)C2)cc(OC)c1 ZINC001445682121 1066602562 /nfs/dbraw/zinc/60/25/62/1066602562.db2.gz AVPCNQRSAPNWEO-PRVBGKCFSA-N 1 0 479.665 4.901 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cnccn3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC001361255310 1066602961 /nfs/dbraw/zinc/60/29/61/1066602961.db2.gz UTXCFKRFYZNAAR-IBGZPJMESA-N 1 0 461.639 4.652 20 0 JJADRO Cc1ccc(CN(Cc2ccco2)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)s1 ZINC001361261623 1066613743 /nfs/dbraw/zinc/61/37/43/1066613743.db2.gz GDDVAUDQOUZETQ-FQEVSTJZSA-N 1 0 471.671 4.592 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCC2)o1 ZINC001361261665 1066614222 /nfs/dbraw/zinc/61/42/22/1066614222.db2.gz WCIOOTYGARJJML-UHFFFAOYSA-N 1 0 458.006 4.923 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC001361261864 1066614965 /nfs/dbraw/zinc/61/49/65/1066614965.db2.gz ZIFFOYNQFPQAAI-RTBURBONSA-N 1 0 487.645 4.502 20 0 JJADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778294 1066615960 /nfs/dbraw/zinc/61/59/60/1066615960.db2.gz CLBRMPQIIOBSJH-SJKOYZFVSA-N 1 0 450.764 4.502 20 0 JJADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)[C@@H](O)c1cccc(F)c1 ZINC001445827507 1066623780 /nfs/dbraw/zinc/62/37/80/1066623780.db2.gz VQQXGKQMIRVXNO-TYKYNWMQSA-N 1 0 466.984 4.933 20 0 JJADRO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001456562401 1066625642 /nfs/dbraw/zinc/62/56/42/1066625642.db2.gz PZUUCDFMBQHYEC-GOSISDBHSA-N 1 0 456.512 4.936 20 0 JJADRO O=C(N[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccccc1)c1ccccc1 ZINC001445903988 1066632968 /nfs/dbraw/zinc/63/29/68/1066632968.db2.gz ZHSOTCDQTBWGPR-AREMUKBSSA-N 1 0 457.574 4.661 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)CCN1c2ccccc2CCC1=O)Cc1ccccc1 ZINC001361278632 1066636084 /nfs/dbraw/zinc/63/60/84/1066636084.db2.gz CPFGFZXBOZLSFH-UHFFFAOYSA-N 1 0 455.602 4.517 20 0 JJADRO Cc1c(C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)nnn1-c1cccc(C)c1 ZINC001361278740 1066636138 /nfs/dbraw/zinc/63/61/38/1066636138.db2.gz GBTAOVCKFHWJEL-UHFFFAOYSA-N 1 0 453.590 4.659 20 0 JJADRO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC001361284429 1066642215 /nfs/dbraw/zinc/64/22/15/1066642215.db2.gz GMTGWMLSJMLHDH-KDURUIRLSA-N 1 0 459.704 4.611 20 0 JJADRO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC001361284932 1066642921 /nfs/dbraw/zinc/64/29/21/1066642921.db2.gz MNULAWFFYGZCRI-UHFFFAOYSA-N 1 0 453.675 4.552 20 0 JJADRO CC(C)C[C@@H](C)Oc1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)ccn1 ZINC001456636110 1066653552 /nfs/dbraw/zinc/65/35/52/1066653552.db2.gz BRUZHLFNNZGNSU-VYCLJVNGSA-N 1 0 472.633 4.822 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492601190 1066655178 /nfs/dbraw/zinc/65/51/78/1066655178.db2.gz YWUXKIAYZWIKLR-JOCHJYFZSA-N 1 0 462.623 4.528 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492601497 1066656391 /nfs/dbraw/zinc/65/63/91/1066656391.db2.gz DIKDIRJJZVIGPW-WPFOTENUSA-N 1 0 483.701 4.752 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546084139 1066659315 /nfs/dbraw/zinc/65/93/15/1066659315.db2.gz YMJQZBGRWUQZKE-CJFMBICVSA-N 1 0 476.065 4.809 20 0 JJADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C1 ZINC001446135437 1066663433 /nfs/dbraw/zinc/66/34/33/1066663433.db2.gz BJCAGTLLMAJCKU-NRFANRHFSA-N 1 0 459.700 4.716 20 0 JJADRO Cc1cccnc1Cn1c(CCCc2ccccc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001492606789 1066664509 /nfs/dbraw/zinc/66/45/09/1066664509.db2.gz SOIUHWCRWVRNLB-UHFFFAOYSA-N 1 0 460.670 4.762 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001492606994 1066665012 /nfs/dbraw/zinc/66/50/12/1066665012.db2.gz ACUAIQQMXDCNLO-JOCHJYFZSA-N 1 0 476.669 4.847 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(-c4ccc[nH]4)n3CCC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001492607518 1066666541 /nfs/dbraw/zinc/66/65/41/1066666541.db2.gz RVINRWXSMICETR-UHFFFAOYSA-N 1 0 465.646 4.533 20 0 JJADRO CC1=CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001492607709 1066667202 /nfs/dbraw/zinc/66/72/02/1066667202.db2.gz FCWPUKACGNACIK-UHFFFAOYSA-N 1 0 485.076 4.674 20 0 JJADRO C[C@H]1CN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001446164522 1066668185 /nfs/dbraw/zinc/66/81/85/1066668185.db2.gz RVNVYBNIKVNVDC-YADARESESA-N 1 0 458.071 4.730 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001446164520 1066668257 /nfs/dbraw/zinc/66/82/57/1066668257.db2.gz RVNVYBNIKVNVDC-NTKDMRAZSA-N 1 0 458.071 4.730 20 0 JJADRO CC1=CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001492608769 1066669790 /nfs/dbraw/zinc/66/97/90/1066669790.db2.gz HKHJQUOGLTYDKK-UHFFFAOYSA-N 1 0 469.431 4.714 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC=C(C)C2)[NH+](C)C)cc1 ZINC001492609122 1066670461 /nfs/dbraw/zinc/67/04/61/1066670461.db2.gz MNECCNQIQGMXRN-NRFANRHFSA-N 1 0 469.431 4.803 20 0 JJADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 ZINC001446187619 1066671211 /nfs/dbraw/zinc/67/12/11/1066671211.db2.gz YTDPDOOZFIHZEQ-UHFFFAOYSA-N 1 0 458.628 4.880 20 0 JJADRO CC1=CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001492610801 1066672677 /nfs/dbraw/zinc/67/26/77/1066672677.db2.gz IEAUQCFBSYLZCV-RPWUZVMVSA-N 1 0 494.684 4.852 20 0 JJADRO C[N@@H+]1CC[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001446196444 1066674085 /nfs/dbraw/zinc/67/40/85/1066674085.db2.gz SLWNANPPOMGTCV-SIKLNZKXSA-N 1 0 458.603 4.513 20 0 JJADRO CC1=CCCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001492614241 1066678501 /nfs/dbraw/zinc/67/85/01/1066678501.db2.gz ZSVGZAGXHDFLMV-SFTDATJTSA-N 1 0 455.622 4.909 20 0 JJADRO C[C@H]1C[C@@H](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)C[N@@H+]1Cc1ccccc1 ZINC001446263669 1066681231 /nfs/dbraw/zinc/68/12/31/1066681231.db2.gz UVBHLQBEJSZHSR-PKOBYXMFSA-N 1 0 454.412 4.890 20 0 JJADRO CC1=CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001492616246 1066683928 /nfs/dbraw/zinc/68/39/28/1066683928.db2.gz QROOSIYUDKKOQX-GOSISDBHSA-N 1 0 492.437 4.504 20 0 JJADRO Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC001446277964 1066683920 /nfs/dbraw/zinc/68/39/20/1066683920.db2.gz AZNKPXLOPGUWSC-HFZDXXHNSA-N 1 0 450.529 4.553 20 0 JJADRO O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001446293194 1066686785 /nfs/dbraw/zinc/68/67/85/1066686785.db2.gz ZQVMDFZPHVFTAA-LATWDLLGSA-N 1 0 450.579 4.567 20 0 JJADRO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001446293180 1066686892 /nfs/dbraw/zinc/68/68/92/1066686892.db2.gz ZQVMDFZPHVFTAA-GQHFZBACSA-N 1 0 450.579 4.567 20 0 JJADRO CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001492620019 1066689342 /nfs/dbraw/zinc/68/93/42/1066689342.db2.gz RVUYRPPNRVSCSL-HXUWFJFHSA-N 1 0 488.474 4.896 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC001446321510 1066690376 /nfs/dbraw/zinc/69/03/76/1066690376.db2.gz GXVRKBJRVVFRSE-QFIPXVFZSA-N 1 0 452.595 4.849 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC001446321851 1066690478 /nfs/dbraw/zinc/69/04/78/1066690478.db2.gz IEWZFUHSGHOSOI-NRFANRHFSA-N 1 0 453.583 4.705 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001446323127 1066690536 /nfs/dbraw/zinc/69/05/36/1066690536.db2.gz MRVGIZWDJNIIOA-VWLOTQADSA-N 1 0 457.574 4.771 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)C2)c1 ZINC001492620482 1066690787 /nfs/dbraw/zinc/69/07/87/1066690787.db2.gz GSSFVEWRPFKZRL-DNQXCXABSA-N 1 0 479.673 4.722 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(COc2ccc(C)nc2)c1 ZINC001446326704 1066691038 /nfs/dbraw/zinc/69/10/38/1066691038.db2.gz VYSGLQGJSHHVRF-RUZDIDTESA-N 1 0 459.590 4.801 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(Cl)cc(F)c2Br)cc1 ZINC001446354754 1066695500 /nfs/dbraw/zinc/69/55/00/1066695500.db2.gz PSYSYVCKQDVZGO-SFHVURJKSA-N 1 0 455.755 4.817 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc3c(Br)cccc3cn2)cc1 ZINC001446356166 1066695632 /nfs/dbraw/zinc/69/56/32/1066695632.db2.gz STTFIEKTXCWWKJ-QFIPXVFZSA-N 1 0 454.368 4.573 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccccc2COc2cccc(C=O)c2)cc1 ZINC001446358139 1066695666 /nfs/dbraw/zinc/69/56/66/1066695666.db2.gz YPXULBVAEDAMDI-HHHXNRCGSA-N 1 0 458.558 4.654 20 0 JJADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC001456816223 1066700018 /nfs/dbraw/zinc/70/00/18/1066700018.db2.gz FCMFQHIBFUFXHU-WOJBJXKFSA-N 1 0 453.974 4.713 20 0 JJADRO Cc1cnc([C@H](C)Cn2c(N3CC[NH+](CCc4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001492632404 1066710488 /nfs/dbraw/zinc/71/04/88/1066710488.db2.gz DHQCODLNGVVDTP-LJQANCHMSA-N 1 0 452.672 4.509 20 0 JJADRO CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCCC1 ZINC001545987047 1066712273 /nfs/dbraw/zinc/71/22/73/1066712273.db2.gz OBDFBTKNZHTDCW-NHCUHLMSSA-N 1 0 476.463 4.793 20 0 JJADRO CC[C@@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)NC(=O)OC(C)(C)C ZINC001545987070 1066712759 /nfs/dbraw/zinc/71/27/59/1066712759.db2.gz OPKRUCUPUZYXCZ-DEOSSOPVSA-N 1 0 496.700 4.870 20 0 JJADRO Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(=O)[nH]1 ZINC001446514106 1066712895 /nfs/dbraw/zinc/71/28/95/1066712895.db2.gz HRACXMMZSTWXAP-HXUWFJFHSA-N 1 0 450.627 4.816 20 0 JJADRO COc1cc(CCC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)ccc1OCC(F)(F)F ZINC001446563377 1066721287 /nfs/dbraw/zinc/72/12/87/1066721287.db2.gz FJDGYPFLQSNCQB-UHFFFAOYSA-N 1 0 456.549 4.684 20 0 JJADRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC001446567673 1066721739 /nfs/dbraw/zinc/72/17/39/1066721739.db2.gz NWYXNNQDRPSTNV-DEOSSOPVSA-N 1 0 455.643 4.636 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001456930539 1066724918 /nfs/dbraw/zinc/72/49/18/1066724918.db2.gz BXVINDHYTXHEQX-HXUWFJFHSA-N 1 0 456.428 4.643 20 0 JJADRO COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c1 ZINC001446635764 1066727085 /nfs/dbraw/zinc/72/70/85/1066727085.db2.gz KBWHXDPVDQRLDW-HSZRJFAPSA-N 1 0 453.583 4.871 20 0 JJADRO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NCC1(C)CC[NH+](C)CC1 ZINC001446638131 1066727716 /nfs/dbraw/zinc/72/77/16/1066727716.db2.gz AEUGDKXBSUARTA-UHFFFAOYSA-N 1 0 456.578 4.795 20 0 JJADRO Cc1csc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001492640227 1066730657 /nfs/dbraw/zinc/73/06/57/1066730657.db2.gz XPYYPOQFHLJKHH-NRFANRHFSA-N 1 0 482.698 4.963 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(C)(C)C ZINC001446716674 1066734184 /nfs/dbraw/zinc/73/41/84/1066734184.db2.gz RUXZKSNPIIGFBM-SSGKUCQKSA-N 1 0 457.659 4.733 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(-c4ccccc4C)n3CC(C)(C)C[NH+](C)C)C2)n1 ZINC001492641299 1066734364 /nfs/dbraw/zinc/73/43/64/1066734364.db2.gz FAGBYBNRLKJTAU-HXUWFJFHSA-N 1 0 452.672 4.990 20 0 JJADRO Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@@H+](CC(C)C)C3)CCO2)n1 ZINC001492641903 1066734998 /nfs/dbraw/zinc/73/49/98/1066734998.db2.gz PIFNMAQRLMLWAD-RTWAWAEBSA-N 1 0 474.719 4.578 20 0 JJADRO Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@@H+](CC(C)C)C3)CCO2)n1 ZINC001492641900 1066735379 /nfs/dbraw/zinc/73/53/79/1066735379.db2.gz PIFNMAQRLMLWAD-LEWJYISDSA-N 1 0 474.719 4.578 20 0 JJADRO Cc1cc(-c2nc(C(=O)N(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC(F)(F)F)co2)ccn1 ZINC001456982856 1066735623 /nfs/dbraw/zinc/73/56/23/1066735623.db2.gz JYIBPCHFWSIOAC-IBGZPJMESA-N 1 0 458.484 4.572 20 0 JJADRO Cc1csc([C@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@@H](C)[NH+](C)C)C2)n1 ZINC001492643011 1066737845 /nfs/dbraw/zinc/73/78/45/1066737845.db2.gz XJQDGKSESYQUAX-MJGOQNOKSA-N 1 0 459.063 4.621 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001546086006 1066737995 /nfs/dbraw/zinc/73/79/95/1066737995.db2.gz XBYTVOYGUNWLMQ-VGSWGCGISA-N 1 0 496.519 4.895 20 0 JJADRO Cc1csc([C@H]2CCCN(c3nnc(C(C)C)n3C[C@@H](c3ccc(F)cc3)[NH+](C)C)C2)n1 ZINC001492643126 1066738661 /nfs/dbraw/zinc/73/86/61/1066738661.db2.gz ZFPZHWQZULUQNE-FPOVZHCZSA-N 1 0 456.635 4.992 20 0 JJADRO Cc1csc(CCCCn2c(Cc3ccccc3F)nnc2N2CCC([NH2+]C(C)C)CC2)n1 ZINC001492643439 1066739319 /nfs/dbraw/zinc/73/93/19/1066739319.db2.gz JDUHUGOGXCHMQO-UHFFFAOYSA-N 1 0 470.662 4.763 20 0 JJADRO Cc1csc(CCCCn2c(-c3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)n1 ZINC001492644199 1066741707 /nfs/dbraw/zinc/74/17/07/1066741707.db2.gz HUTXPPQSLCDHBB-UHFFFAOYSA-N 1 0 456.635 4.650 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)[NH+](C)C)c1 ZINC001492646169 1066749020 /nfs/dbraw/zinc/74/90/20/1066749020.db2.gz YGEDZBYSOLHQKP-CQSZACIVSA-N 1 0 466.424 4.803 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3cccnc3)n2CC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC001492646321 1066749406 /nfs/dbraw/zinc/74/94/06/1066749406.db2.gz DGMSKWQNDWJBSV-UHFFFAOYSA-N 1 0 450.587 4.618 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001492647574 1066752019 /nfs/dbraw/zinc/75/20/19/1066752019.db2.gz PRGABTQOPSVDSJ-GOSISDBHSA-N 1 0 458.701 4.905 20 0 JJADRO Cc1csc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CC=CCC2)c1 ZINC001492648145 1066753468 /nfs/dbraw/zinc/75/34/68/1066753468.db2.gz LBHALKIMFWHVHZ-UHFFFAOYSA-N 1 0 451.640 4.742 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001546086858 1066757685 /nfs/dbraw/zinc/75/76/85/1066757685.db2.gz AAFZIUZIIVACAT-RUZDIDTESA-N 1 0 476.065 4.734 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001546086950 1066758807 /nfs/dbraw/zinc/75/88/07/1066758807.db2.gz BVTYOAHSWNXCSZ-UMQWNRPGSA-N 1 0 499.700 4.724 20 0 JJADRO CCCc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nnn1-c1cccc(C(C)C)c1 ZINC001457095153 1066760753 /nfs/dbraw/zinc/76/07/53/1066760753.db2.gz LJZYMVINWCKXGW-SQJMNOBHSA-N 1 0 459.638 4.984 20 0 JJADRO Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC001492652906 1066761365 /nfs/dbraw/zinc/76/13/65/1066761365.db2.gz QNMQKXWVQIJZHY-OYRHEFFESA-N 1 0 487.762 4.716 20 0 JJADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccccc2NC(=O)OCc2ccccc2)CC1 ZINC001545991591 1066764607 /nfs/dbraw/zinc/76/46/07/1066764607.db2.gz UKXQUWMECYJRRE-FQEVSTJZSA-N 1 0 458.562 4.786 20 0 JJADRO Cc1nc(C)c(CCn2c(CC(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC001492656863 1066769418 /nfs/dbraw/zinc/76/94/18/1066769418.db2.gz NSUPGAOWFYROSL-UHFFFAOYSA-N 1 0 458.720 4.885 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001492661015 1066779190 /nfs/dbraw/zinc/77/91/90/1066779190.db2.gz BJJQLFAZTRLMBT-JKSUJKDBSA-N 1 0 460.598 4.594 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001492661648 1066780822 /nfs/dbraw/zinc/78/08/22/1066780822.db2.gz KQQAFSNDTUPFDX-HOTGVXAUSA-N 1 0 460.598 4.594 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492662135 1066781749 /nfs/dbraw/zinc/78/17/49/1066781749.db2.gz PMCLLRBUVHCITB-OPAMFIHVSA-N 1 0 482.679 4.901 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001492664487 1066785037 /nfs/dbraw/zinc/78/50/37/1066785037.db2.gz LEVYFRDEJKTVJM-ROUUACIJSA-N 1 0 473.716 4.595 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC001492666084 1066789525 /nfs/dbraw/zinc/78/95/25/1066789525.db2.gz GTPVABFDPKILPS-HJPURHCSSA-N 1 0 473.716 4.546 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC001447314076 1066790457 /nfs/dbraw/zinc/79/04/57/1066790457.db2.gz LAJOLPYTLRHWPA-BOCWGRARSA-N 1 0 477.649 4.592 20 0 JJADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC001545994571 1066792381 /nfs/dbraw/zinc/79/23/81/1066792381.db2.gz BSGPCQINHMVNQQ-HXUWFJFHSA-N 1 0 459.082 4.721 20 0 JJADRO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC001545994570 1066792560 /nfs/dbraw/zinc/79/25/60/1066792560.db2.gz BSGPCQINHMVNQQ-FQEVSTJZSA-N 1 0 459.082 4.721 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492667010 1066792869 /nfs/dbraw/zinc/79/28/69/1066792869.db2.gz QHXVQGLFOBIVMI-BGYRXZFFSA-N 1 0 496.729 4.552 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccsc3)n2C[C@@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492667086 1066792980 /nfs/dbraw/zinc/79/29/80/1066792980.db2.gz SYGDCRCTGGNJGY-IBGZPJMESA-N 1 0 458.682 4.696 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001457239320 1066797146 /nfs/dbraw/zinc/79/71/46/1066797146.db2.gz LRFWMDXNJREIHO-UZLBHIALSA-N 1 0 454.368 4.887 20 0 JJADRO CS[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC001447359372 1066797973 /nfs/dbraw/zinc/79/79/73/1066797973.db2.gz FGXSLKIHEGSCCJ-PKOBYXMFSA-N 1 0 452.407 4.833 20 0 JJADRO Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CC2([NH+](C)C)CCC2)cs1 ZINC001492669680 1066798123 /nfs/dbraw/zinc/79/81/23/1066798123.db2.gz GQAOSWAKBGWHOH-UHFFFAOYSA-N 1 0 456.635 4.672 20 0 JJADRO Cc1nc(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001492669689 1066798204 /nfs/dbraw/zinc/79/82/04/1066798204.db2.gz GYXMBRKBGJCPQK-IBGZPJMESA-N 1 0 470.662 4.920 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@H](c2ccco2)[NH+](C)C)cs1 ZINC001492670438 1066800076 /nfs/dbraw/zinc/80/00/76/1066800076.db2.gz UTYOHGUOYCUHCR-LAUBAEHRSA-N 1 0 456.660 4.935 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N(C)Cc1cc(Br)cs1)[NH+]1CCCC1 ZINC001545995017 1066800318 /nfs/dbraw/zinc/80/03/18/1066800318.db2.gz KVBYBLGJDWOVHX-QGZVFWFLSA-N 1 0 454.482 4.811 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001492671343 1066801843 /nfs/dbraw/zinc/80/18/43/1066801843.db2.gz VBZWPUKASZPYIJ-HYFFOGBASA-N 1 0 456.635 4.558 20 0 JJADRO CC1(C)CCN(C(=O)c2cc(I)c(Cl)cc2Cl)CC(C)(C)[NH2+]1 ZINC001457308246 1066807620 /nfs/dbraw/zinc/80/76/20/1066807620.db2.gz HTMOPQJKVBPZEY-UHFFFAOYSA-N 1 0 455.167 4.591 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)c1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC001457308654 1066807664 /nfs/dbraw/zinc/80/76/64/1066807664.db2.gz JHAJNKWRRXSSKU-HSZRJFAPSA-N 1 0 455.643 4.830 20 0 JJADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545995677 1066808024 /nfs/dbraw/zinc/80/80/24/1066808024.db2.gz WSSIQOZMFVKECN-SJBKTWHCSA-N 1 0 488.721 4.623 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCO[C@@H]2CCCC[C@H]2C)cs1 ZINC001492674659 1066809879 /nfs/dbraw/zinc/80/98/79/1066809879.db2.gz FRNKFPHPPYELGM-HYBUGGRVSA-N 1 0 488.746 4.786 20 0 JJADRO CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545996862 1066816866 /nfs/dbraw/zinc/81/68/66/1066816866.db2.gz FTYAAWRDRFHYQR-ZEQRLZLVSA-N 1 0 496.700 4.545 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](C)COCc2ccccc2)cs1 ZINC001492677963 1066817102 /nfs/dbraw/zinc/81/71/02/1066817102.db2.gz OUPXZCHHCOGHGQ-NRFANRHFSA-N 1 0 496.725 4.797 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492679271 1066821237 /nfs/dbraw/zinc/82/12/37/1066821237.db2.gz YGVFAGOALBEGSI-YKSBVNFPSA-N 1 0 496.725 4.938 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492679761 1066821867 /nfs/dbraw/zinc/82/18/67/1066821867.db2.gz PCTKJWQOPHUMQQ-SFHVURJKSA-N 1 0 489.089 4.675 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492679490 1066821970 /nfs/dbraw/zinc/82/19/70/1066821970.db2.gz FFNFAAAYKIKHKU-REWPJTCUSA-N 1 0 488.746 4.786 20 0 JJADRO CC(C)([C@H](NC(=O)c1ccc(C2N=NC(=S)O2)cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001447558478 1066822037 /nfs/dbraw/zinc/82/20/37/1066822037.db2.gz MWHVJLFNNBASMP-LJQANCHMSA-N 1 0 458.534 4.649 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cs1 ZINC001492681863 1066824298 /nfs/dbraw/zinc/82/42/98/1066824298.db2.gz JJPGDVRMHZJUFB-JSRBVGTNSA-N 1 0 488.746 4.786 20 0 JJADRO COc1ccc(C(=O)Nc2ccc(C(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)s2)cc1 ZINC001457421185 1066828127 /nfs/dbraw/zinc/82/81/27/1066828127.db2.gz HPSFMMANOWMFTB-SFHVURJKSA-N 1 0 451.592 4.649 20 0 JJADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)C1 ZINC001447621305 1066830463 /nfs/dbraw/zinc/83/04/63/1066830463.db2.gz YGLZEDMYUCMPNZ-UHFFFAOYSA-N 1 0 458.534 4.546 20 0 JJADRO C[C@H](CCNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[NH+]1CCCCC1 ZINC001447625841 1066830889 /nfs/dbraw/zinc/83/08/89/1066830889.db2.gz ZAFJMPYXODSAOZ-CQSZACIVSA-N 1 0 456.427 4.563 20 0 JJADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001447623799 1066830993 /nfs/dbraw/zinc/83/09/93/1066830993.db2.gz BKXBSWYELGROJA-XMMPIXPASA-N 1 0 457.659 4.709 20 0 JJADRO Cc1nc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)cs1 ZINC001492687518 1066833079 /nfs/dbraw/zinc/83/30/79/1066833079.db2.gz ZFTJXPCWXDMGBL-KRWDZBQOSA-N 1 0 489.089 5.000 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492694863 1066840502 /nfs/dbraw/zinc/84/05/02/1066840502.db2.gz MBYJHFOLDHHEIL-GOSISDBHSA-N 1 0 492.491 4.730 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C2CC2)[NH+](C)C)s1 ZINC001492695752 1066843403 /nfs/dbraw/zinc/84/34/03/1066843403.db2.gz MWDBTCBCKHGMCO-IBGZPJMESA-N 1 0 465.454 4.993 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC[NH+](C(C)C)C(C)C)s1 ZINC001492697303 1066848973 /nfs/dbraw/zinc/84/89/73/1066848973.db2.gz OLBHGPFPGZRPGZ-UHFFFAOYSA-N 1 0 494.669 4.504 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2CC(C)(C)C[NH+]2CCCC2)s1 ZINC001492697860 1066849552 /nfs/dbraw/zinc/84/95/52/1066849552.db2.gz GODMHQWOZYOZOO-UHFFFAOYSA-N 1 0 452.672 4.701 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC001492697937 1066850360 /nfs/dbraw/zinc/85/03/60/1066850360.db2.gz INMGYTBHHYDYLN-ROUUACIJSA-N 1 0 488.652 4.916 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)C[NH+]2CCCCC2)s1 ZINC001492698204 1066850409 /nfs/dbraw/zinc/85/04/09/1066850409.db2.gz PRXYGSOEWSURJP-QGZVFWFLSA-N 1 0 474.625 4.670 20 0 JJADRO Cc1ncc(CN(C)c2nnc(CCc3ccccc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC001492698584 1066852428 /nfs/dbraw/zinc/85/24/28/1066852428.db2.gz CKTUETDPDJFCDL-QFIPXVFZSA-N 1 0 452.672 4.585 20 0 JJADRO COc1ccc(-c2cc(C(=O)NCc3ccc(CC[NH+](C)C)cc3)nn2-c2ccccc2)cc1 ZINC001447752761 1066852923 /nfs/dbraw/zinc/85/29/23/1066852923.db2.gz KAYSIULHSFUJHG-UHFFFAOYSA-N 1 0 454.574 4.582 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H](c2cccs2)[NH+](C)C)s1 ZINC001492698755 1066852889 /nfs/dbraw/zinc/85/28/89/1066852889.db2.gz KHULXZHYLHFUOZ-HXUWFJFHSA-N 1 0 486.642 4.762 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)s1 ZINC001492698754 1066852996 /nfs/dbraw/zinc/85/29/96/1066852996.db2.gz KHULXZHYLHFUOZ-FQEVSTJZSA-N 1 0 486.642 4.762 20 0 JJADRO O=C(Nc1nc(-c2sccc2Br)cs1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001457556621 1066860486 /nfs/dbraw/zinc/86/04/86/1066860486.db2.gz RHRXXNXBOMIISF-GFCCVEGCSA-N 1 0 458.472 4.790 20 0 JJADRO Cc1ccc(/C=C/c2cc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)c3cc(Br)ccc3n2)o1 ZINC001457559606 1066861231 /nfs/dbraw/zinc/86/12/31/1066861231.db2.gz RRLQCSGATUPPGB-YERXGYGTSA-N 1 0 454.368 4.751 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(F)(F)c1cccc(Br)c1 ZINC001457568078 1066865370 /nfs/dbraw/zinc/86/53/70/1066865370.db2.gz SULWCGBECJXOCM-IGOJGBNBSA-N 1 0 451.355 4.814 20 0 JJADRO COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCC2([NH+](C)C)CCC2)s1 ZINC001447872253 1066872729 /nfs/dbraw/zinc/87/27/29/1066872729.db2.gz YRKHHNFYBRZRBX-UHFFFAOYSA-N 1 0 450.608 4.705 20 0 JJADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447920357 1066876765 /nfs/dbraw/zinc/87/67/65/1066876765.db2.gz OBEWKFROUSUAQB-HSZRJFAPSA-N 1 0 456.542 4.751 20 0 JJADRO O=C(OCc1ccccc1)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001447921804 1066877447 /nfs/dbraw/zinc/87/74/47/1066877447.db2.gz RCQRMUNIEUOTCX-SXOMAYOGSA-N 1 0 456.586 4.685 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCc2nn(C)cc21)[NH+](C)C ZINC001457610956 1066877962 /nfs/dbraw/zinc/87/79/62/1066877962.db2.gz IFXCBBOTOVFBDR-VGSWGCGISA-N 1 0 451.442 4.762 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2c(cn1)OCCC2)[NH+](C)C ZINC001457611413 1066878614 /nfs/dbraw/zinc/87/86/14/1066878614.db2.gz JJADZQQGLRIXNW-NRFANRHFSA-N 1 0 450.410 4.942 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001492716686 1066882629 /nfs/dbraw/zinc/88/26/29/1066882629.db2.gz TYQWDFKTPIRBFB-RDPSFJRHSA-N 1 0 463.674 4.689 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001492716914 1066882738 /nfs/dbraw/zinc/88/27/38/1066882738.db2.gz CSJPNCGVMPWNMQ-NRFANRHFSA-N 1 0 497.663 4.808 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001492717334 1066884378 /nfs/dbraw/zinc/88/43/78/1066884378.db2.gz RHMMLNFHZFIONK-UHFFFAOYSA-N 1 0 470.065 4.850 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001492718120 1066886803 /nfs/dbraw/zinc/88/68/03/1066886803.db2.gz UDMPOQMCEHQXCX-ROUUACIJSA-N 1 0 470.065 4.706 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001492719660 1066888905 /nfs/dbraw/zinc/88/89/05/1066888905.db2.gz RNLYQYIWIWUSFI-IBGZPJMESA-N 1 0 465.690 4.983 20 0 JJADRO O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001457646296 1066889604 /nfs/dbraw/zinc/88/96/04/1066889604.db2.gz SQMNACZVXGDGGG-GOSISDBHSA-N 1 0 452.352 4.779 20 0 JJADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC001457660635 1066892014 /nfs/dbraw/zinc/89/20/14/1066892014.db2.gz PUAPWOAYFBFRMG-UHFFFAOYSA-N 1 0 450.892 4.522 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001448065814 1066895680 /nfs/dbraw/zinc/89/56/80/1066895680.db2.gz MVMUVKURCPEQDJ-HXUWFJFHSA-N 1 0 450.501 4.622 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001448065813 1066895837 /nfs/dbraw/zinc/89/58/37/1066895837.db2.gz MVMUVKURCPEQDJ-FQEVSTJZSA-N 1 0 450.501 4.622 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001492729183 1066898797 /nfs/dbraw/zinc/89/87/97/1066898797.db2.gz WQKYHLPOKKCNNO-DEOSSOPVSA-N 1 0 493.700 4.609 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)C1CC1 ZINC001448113132 1066900826 /nfs/dbraw/zinc/90/08/26/1066900826.db2.gz GCNBOQJWNNLZRI-JOCHJYFZSA-N 1 0 458.484 4.616 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)C1CC1 ZINC001448113138 1066901054 /nfs/dbraw/zinc/90/10/54/1066901054.db2.gz GCNBOQJWNNLZRI-QFIPXVFZSA-N 1 0 458.484 4.616 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001448125982 1066902429 /nfs/dbraw/zinc/90/24/29/1066902429.db2.gz SYBKJSAFRJCRRQ-QHCPKHFHSA-N 1 0 451.611 4.871 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126879 1066902928 /nfs/dbraw/zinc/90/29/28/1066902928.db2.gz UOJZRFHVDWDOAD-GOTSBHOMSA-N 1 0 451.611 4.798 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128289 1066903029 /nfs/dbraw/zinc/90/30/29/1066903029.db2.gz XHVNUZOKQWBZIU-XWGVYQGASA-N 1 0 459.675 4.933 20 0 JJADRO Cc1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001457716846 1066903707 /nfs/dbraw/zinc/90/37/07/1066903707.db2.gz LTMPKYLVELXOCY-MZYLBHOOSA-N 1 0 481.641 4.613 20 0 JJADRO Cc1ncc2n1CC[C@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C)C2 ZINC001457717049 1066903743 /nfs/dbraw/zinc/90/37/43/1066903743.db2.gz VLYAVMZIGYBAEC-PGRDOPGGSA-N 1 0 451.442 4.676 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492731933 1066903767 /nfs/dbraw/zinc/90/37/67/1066903767.db2.gz HDUYWADPXQUACP-LEWJYISDSA-N 1 0 485.627 4.736 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492732008 1066903848 /nfs/dbraw/zinc/90/38/48/1066903848.db2.gz HDUYWADPXQUACP-SFTDATJTSA-N 1 0 485.627 4.736 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492732699 1066906127 /nfs/dbraw/zinc/90/61/27/1066906127.db2.gz UCARDJSCNGCODY-FQEVSTJZSA-N 1 0 485.627 4.880 20 0 JJADRO Cc1cc(NC(=O)CCN(CC2CC2)C(=O)OC(C)(C)C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001457740987 1066908132 /nfs/dbraw/zinc/90/81/32/1066908132.db2.gz WIQJSROYBMSITR-UHFFFAOYSA-N 1 0 458.647 4.501 20 0 JJADRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)cc1 ZINC001457741802 1066908532 /nfs/dbraw/zinc/90/85/32/1066908532.db2.gz GNNFMOBDFMXWTO-IBGZPJMESA-N 1 0 455.356 4.538 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492736145 1066910833 /nfs/dbraw/zinc/91/08/33/1066910833.db2.gz VXJVXJFQBOAQGT-JOCHJYFZSA-N 1 0 488.055 4.689 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1Cl ZINC001457752159 1066911497 /nfs/dbraw/zinc/91/14/97/1066911497.db2.gz GYLHNFRACGXLSZ-UHFFFAOYSA-N 1 0 456.949 4.741 20 0 JJADRO O=C(Nc1cc(I)ccc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457754077 1066912361 /nfs/dbraw/zinc/91/23/61/1066912361.db2.gz VUTQQFYMRNPOAR-OAHLLOKOSA-N 1 0 454.739 4.795 20 0 JJADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(Br)nc(Br)c1 ZINC001457764126 1066914001 /nfs/dbraw/zinc/91/40/01/1066914001.db2.gz ODVNXKYCXCISOT-UHFFFAOYSA-N 1 0 453.178 4.763 20 0 JJADRO C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC001448295979 1066916719 /nfs/dbraw/zinc/91/67/19/1066916719.db2.gz MZHYRKOJOVXRJM-RXVVDRJESA-N 1 0 450.023 4.725 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492742989 1066918454 /nfs/dbraw/zinc/91/84/54/1066918454.db2.gz KMRIJXAZHIPHLT-HDICACEKSA-N 1 0 493.622 4.595 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001448408485 1066924457 /nfs/dbraw/zinc/92/44/57/1066924457.db2.gz WHUHBZWBLBXVNB-RBZQAINGSA-N 1 0 457.659 4.688 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492751233 1066925925 /nfs/dbraw/zinc/92/59/25/1066925925.db2.gz VGIRZPRJUWNFNF-PMACEKPBSA-N 1 0 481.611 4.744 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492754170 1066926734 /nfs/dbraw/zinc/92/67/34/1066926734.db2.gz RYZGHHLDTPLEFB-XJGOYTCSSA-N 1 0 499.748 4.539 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492754174 1066926770 /nfs/dbraw/zinc/92/67/70/1066926770.db2.gz SCXKMNDLPZQZSM-GTNJKRJXSA-N 1 0 499.748 4.538 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492754175 1066926815 /nfs/dbraw/zinc/92/68/15/1066926815.db2.gz SCXKMNDLPZQZSM-PHVLTXCSSA-N 1 0 499.748 4.538 20 0 JJADRO CC(C)N1C(=O)C[C@H](C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001457819544 1066928000 /nfs/dbraw/zinc/92/80/00/1066928000.db2.gz FKXREXWAGUPJSZ-KWOQKUFVSA-N 1 0 457.977 4.965 20 0 JJADRO CCCc1c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cnn1-c1cc(F)c(OC)cc1F ZINC001457826573 1066928774 /nfs/dbraw/zinc/92/87/74/1066928774.db2.gz SVWFGLFUUWVIRO-NRFANRHFSA-N 1 0 454.521 4.913 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)CC2)n1 ZINC001492758980 1066931607 /nfs/dbraw/zinc/93/16/07/1066931607.db2.gz ROEOIBTXEUPIRC-RUZDIDTESA-N 1 0 469.722 4.717 20 0 JJADRO Cc1ccc(/C=C/c2cc(C(=O)NC[C@@H](C)C[NH+](C)C)c3cc(Br)ccc3n2)o1 ZINC001457847222 1066932039 /nfs/dbraw/zinc/93/20/39/1066932039.db2.gz QYCUTSHSYAPXIX-LOWQCSRCSA-N 1 0 456.384 4.997 20 0 JJADRO Cc1cc(C)n(CCCn2c(N(C)C3CC[NH+](Cc4ccccc4)CC3)nnc2C(C)(C)C)n1 ZINC001492761973 1066933964 /nfs/dbraw/zinc/93/39/64/1066933964.db2.gz BPSKKAWYEBJMBW-UHFFFAOYSA-N 1 0 463.674 4.580 20 0 JJADRO CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCC1 ZINC001546008418 1066946411 /nfs/dbraw/zinc/94/64/11/1066946411.db2.gz QLUOJXPUFBNKQE-MQSCRBSSSA-N 1 0 490.092 4.740 20 0 JJADRO Cc1nnc(N(C)[C@@H](C)CCc2ccc(O)cc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001492776287 1066946695 /nfs/dbraw/zinc/94/66/95/1066946695.db2.gz VYAGVAYYIYPFQG-IBGZPJMESA-N 1 0 453.656 4.723 20 0 JJADRO CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)C/C(C)=C\c1ccccc1)[NH+]1CCCC1 ZINC001546008709 1066946832 /nfs/dbraw/zinc/94/68/32/1066946832.db2.gz VRDIBJDTVWNVSC-CCOQBKANSA-N 1 0 461.658 4.554 20 0 JJADRO Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492777472 1066946951 /nfs/dbraw/zinc/94/69/51/1066946951.db2.gz XAGRYBMMXQWGMY-OAQYLSRUSA-N 1 0 452.672 4.684 20 0 JJADRO Cc1nnc(N(C)Cc2cc(Br)cs2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001492779893 1066947743 /nfs/dbraw/zinc/94/77/43/1066947743.db2.gz UPIATPLKFRYIGQ-UHFFFAOYSA-N 1 0 460.445 4.691 20 0 JJADRO Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001492780680 1066948110 /nfs/dbraw/zinc/94/81/10/1066948110.db2.gz XWZFTZVPNFGIDN-UHFFFAOYSA-N 1 0 471.568 4.742 20 0 JJADRO Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492785717 1066949124 /nfs/dbraw/zinc/94/91/24/1066949124.db2.gz SLWHRKPDFVIYJT-MRGHISEYSA-N 1 0 453.675 4.949 20 0 JJADRO Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1CC[NH+]1CCCC1 ZINC001492788446 1066949594 /nfs/dbraw/zinc/94/95/94/1066949594.db2.gz PDWRTINNOOSRIX-UHFFFAOYSA-N 1 0 454.844 4.761 20 0 JJADRO Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001492786299 1066949637 /nfs/dbraw/zinc/94/96/37/1066949637.db2.gz BVYHMFILOSKHFW-XMSQKQJNSA-N 1 0 460.047 4.900 20 0 JJADRO Cc1nnc(N(C)CCCOc2ccc(F)cc2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001492786248 1066949674 /nfs/dbraw/zinc/94/96/74/1066949674.db2.gz JUNIVKJOISTCPC-XXBNENTESA-N 1 0 457.619 4.776 20 0 JJADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2nc3cc(OC)ccc3n2Cc2ccccc2)cc1 ZINC001457965954 1066949647 /nfs/dbraw/zinc/94/96/47/1066949647.db2.gz CLFLZLQUCZXOEZ-RUZDIDTESA-N 1 0 458.562 4.780 20 0 JJADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)cc1 ZINC001457965697 1066949737 /nfs/dbraw/zinc/94/97/37/1066949737.db2.gz BLMXGMGJLALZMA-QGZVFWFLSA-N 1 0 450.486 4.910 20 0 JJADRO Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001492798570 1066951748 /nfs/dbraw/zinc/95/17/48/1066951748.db2.gz IIGNYPIZTXDPAZ-HNNXBMFYSA-N 1 0 465.442 4.728 20 0 JJADRO Cc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001492804457 1066953534 /nfs/dbraw/zinc/95/35/34/1066953534.db2.gz YUMRSPGNYHRLDK-VWLOTQADSA-N 1 0 496.700 4.582 20 0 JJADRO C[C@H](CC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448724629 1066953750 /nfs/dbraw/zinc/95/37/50/1066953750.db2.gz VVTLBYDCKSCCRP-ZYVVXELTSA-N 1 0 457.659 4.688 20 0 JJADRO Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492804982 1066954027 /nfs/dbraw/zinc/95/40/27/1066954027.db2.gz VSKWLIASHRSEOL-SFTDATJTSA-N 1 0 490.737 4.816 20 0 JJADRO Cc1nnc(N2CCC(OCCC(C)C)CC2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001492820853 1066954885 /nfs/dbraw/zinc/95/48/85/1066954885.db2.gz MRBNAWDFWQYJRU-WIOPSUGQSA-N 1 0 453.675 4.919 20 0 JJADRO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001492829708 1066954927 /nfs/dbraw/zinc/95/49/27/1066954927.db2.gz AAGFKZXRLMPLFD-OAQYLSRUSA-N 1 0 482.654 4.861 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001458000124 1066955193 /nfs/dbraw/zinc/95/51/93/1066955193.db2.gz LSPHVGHUNCKRLL-LGVFNWMJSA-N 1 0 451.611 4.764 20 0 JJADRO Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492847625 1066957636 /nfs/dbraw/zinc/95/76/36/1066957636.db2.gz KNCGBIDLEWTMBN-GHTZIAJQSA-N 1 0 465.564 4.819 20 0 JJADRO Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492940823 1066960761 /nfs/dbraw/zinc/96/07/61/1066960761.db2.gz DDCRILPDQIGVTQ-SVMVAKDDSA-N 1 0 490.490 4.683 20 0 JJADRO Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001492948988 1066961769 /nfs/dbraw/zinc/96/17/69/1066961769.db2.gz OMOPHYDZLYNLKN-JOCHJYFZSA-N 1 0 476.463 4.582 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448848581 1066963780 /nfs/dbraw/zinc/96/37/80/1066963780.db2.gz SPHXNMFMLIDPRA-AKAGGGOCSA-N 1 0 469.670 4.829 20 0 JJADRO C[C@H]1C[C@@H](CCNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C[N@@H+]1Cc1ccccc1 ZINC001458061096 1066964837 /nfs/dbraw/zinc/96/48/37/1066964837.db2.gz VJHUVRBPDXRCBK-AZUAARDMSA-N 1 0 453.533 4.969 20 0 JJADRO CC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)OC ZINC001546010351 1066968076 /nfs/dbraw/zinc/96/80/76/1066968076.db2.gz KJEAOMZACRNCAY-DHIUTWEWSA-N 1 0 469.674 4.779 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)/C=C\c2ccc3ccccc3n2)ccc1Cl ZINC001458075418 1066968057 /nfs/dbraw/zinc/96/80/57/1066968057.db2.gz KCIHHEIBYYTEIH-OWBHPGMISA-N 1 0 450.970 4.612 20 0 JJADRO CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+]1CCCC1 ZINC001546010508 1066969636 /nfs/dbraw/zinc/96/96/36/1066969636.db2.gz MVHFXXDLUVMNCL-QDPGVEIFSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1c2cc(C(=O)Nc3cccc(C[NH+]4CCC(CO)CC4)c3)[nH]c2ccc1Br ZINC001545714171 1066970665 /nfs/dbraw/zinc/97/06/65/1066970665.db2.gz QCWLARYSRMFJRJ-UHFFFAOYSA-N 1 0 456.384 4.695 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545721438 1066975625 /nfs/dbraw/zinc/97/56/25/1066975625.db2.gz ACCSVRIYPSDFFS-CVDCTZTESA-N 1 0 453.034 4.847 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545722552 1066978429 /nfs/dbraw/zinc/97/84/29/1066978429.db2.gz WIWGVQOCZIEVJM-UWJYYQICSA-N 1 0 489.590 4.691 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@H]2CCOC2)n1C[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001545724014 1066979951 /nfs/dbraw/zinc/97/99/51/1066979951.db2.gz KNTUJINXAKWQAZ-FCEUIQTBSA-N 1 0 453.656 4.657 20 0 JJADRO C[NH+](C)C[C@@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(C(C)(C)C)cc1)CC2 ZINC001449062422 1066980909 /nfs/dbraw/zinc/98/09/09/1066980909.db2.gz OINATOMVCCQRLW-YEMUAQJGSA-N 1 0 457.618 4.671 20 0 JJADRO Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)cc1F ZINC001545725581 1066982239 /nfs/dbraw/zinc/98/22/39/1066982239.db2.gz YTBKYFSUPJLLHT-VQIMIIECSA-N 1 0 458.484 4.519 20 0 JJADRO CC(C)(C)c1cc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nc(C(C)(C)C)n1 ZINC001458134549 1066985054 /nfs/dbraw/zinc/98/50/54/1066985054.db2.gz DBSVERNGCFLIKI-OAQYLSRUSA-N 1 0 450.675 4.505 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001449176972 1066987846 /nfs/dbraw/zinc/98/78/46/1066987846.db2.gz QHYIOVGPFWDZIN-ZVDOUQERSA-N 1 0 451.677 4.522 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCC(F)(F)F)[NH+]1CCCC1 ZINC001546012007 1066988789 /nfs/dbraw/zinc/98/87/89/1066988789.db2.gz AFMURLGDFFLTLB-IBGZPJMESA-N 1 0 453.553 4.737 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCC(F)(F)F)[NH+]1CCCC1 ZINC001546012008 1066988912 /nfs/dbraw/zinc/98/89/12/1066988912.db2.gz AFMURLGDFFLTLB-LJQANCHMSA-N 1 0 453.553 4.737 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545731245 1066990012 /nfs/dbraw/zinc/99/00/12/1066990012.db2.gz LVOHJXHTZNXRDY-CEMLEFRQSA-N 1 0 451.615 4.720 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545731247 1066990048 /nfs/dbraw/zinc/99/00/48/1066990048.db2.gz LVOHJXHTZNXRDY-KSEOMHKRSA-N 1 0 451.615 4.720 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545731364 1066990456 /nfs/dbraw/zinc/99/04/56/1066990456.db2.gz NJEDLJYJGKWQPK-RRZZWSPOSA-N 1 0 459.729 4.588 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545731362 1066990598 /nfs/dbraw/zinc/99/05/98/1066990598.db2.gz NJEDLJYJGKWQPK-KLNOSBNDSA-N 1 0 459.729 4.588 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731389 1066991161 /nfs/dbraw/zinc/99/11/61/1066991161.db2.gz NRRNIGFVHBRNTM-YBMQWUKTSA-N 1 0 453.675 4.680 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731542 1066991748 /nfs/dbraw/zinc/99/17/48/1066991748.db2.gz PVNYJEOQXOYKIV-CNNODRBYSA-N 1 0 453.034 4.836 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545731992 1066992642 /nfs/dbraw/zinc/99/26/42/1066992642.db2.gz VZEOAWDKIIQYQH-QPTUXGOLSA-N 1 0 453.675 4.682 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732041 1066993161 /nfs/dbraw/zinc/99/31/61/1066993161.db2.gz WQFHMWPQQPNIFT-OQLXKQOESA-N 1 0 492.634 4.623 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCO1 ZINC001546097658 1066993967 /nfs/dbraw/zinc/99/39/67/1066993967.db2.gz NRNUXFQLCXWAEG-MLKSZZLFSA-N 1 0 467.702 4.969 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC001546097659 1066994004 /nfs/dbraw/zinc/99/40/04/1066994004.db2.gz NRNUXFQLCXWAEG-QPVYNBJUSA-N 1 0 467.702 4.969 20 0 JJADRO COc1cccc([C@@H](C)[NH+]2CCN(c3ccnc(-c4ccc(Br)cc4)n3)CC2)c1 ZINC001458166839 1066994393 /nfs/dbraw/zinc/99/43/93/1066994393.db2.gz PHDPMNXJOBUNCD-QGZVFWFLSA-N 1 0 453.384 4.798 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545733442 1066994458 /nfs/dbraw/zinc/99/44/58/1066994458.db2.gz BNJLMDOQJBWCSC-OPJGWUQDSA-N 1 0 493.618 4.692 20 0 JJADRO CC[C@H](c1nnc(N2CC=C(COC)CC2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545733626 1066995750 /nfs/dbraw/zinc/99/57/50/1066995750.db2.gz FJBAPJWOKVODDS-DEOSSOPVSA-N 1 0 451.659 4.867 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546097766 1066997603 /nfs/dbraw/zinc/99/76/03/1066997603.db2.gz POKLHFPQPKODDU-RLPNJSHFSA-N 1 0 497.728 4.834 20 0 JJADRO CC[C@H](c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545734549 1066998102 /nfs/dbraw/zinc/99/81/02/1066998102.db2.gz VHQYDXMOIJIWLY-SQJMNOBHSA-N 1 0 495.634 4.938 20 0 JJADRO CC[C@@H](Cn1c(COc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001546013104 1066999148 /nfs/dbraw/zinc/99/91/48/1066999148.db2.gz UXKVGJQVFQLFDM-SFHVURJKSA-N 1 0 467.511 4.569 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735942 1066999178 /nfs/dbraw/zinc/99/91/78/1066999178.db2.gz IXCGEWPFAIMIHZ-AOHZBQACSA-N 1 0 453.675 4.944 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735944 1066999377 /nfs/dbraw/zinc/99/93/77/1066999377.db2.gz IXCGEWPFAIMIHZ-WPFOTENUSA-N 1 0 453.675 4.944 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C)(COC)CC2)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545736565 1067000281 /nfs/dbraw/zinc/00/02/81/1067000281.db2.gz RVPWNCYNVCBVNN-QHCPKHFHSA-N 1 0 485.742 4.900 20 0 JJADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001449333643 1067000653 /nfs/dbraw/zinc/00/06/53/1067000653.db2.gz UNORVMQNGYTMIN-HSZRJFAPSA-N 1 0 455.643 4.537 20 0 JJADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC001449331830 1067000815 /nfs/dbraw/zinc/00/08/15/1067000815.db2.gz LVQNWVFARYTYAE-UHFFFAOYSA-N 1 0 452.352 4.593 20 0 JJADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001449336790 1067001289 /nfs/dbraw/zinc/00/12/89/1067001289.db2.gz ZJCVUHYEBOAQNA-LEWJYISDSA-N 1 0 450.608 4.734 20 0 JJADRO CC[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC(C)=C(Br)C1)[NH+]1CCCC1 ZINC001546013341 1067002139 /nfs/dbraw/zinc/00/21/39/1067002139.db2.gz ZJMWIXCFMOWYLA-GOSISDBHSA-N 1 0 492.437 4.750 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001545738155 1067002334 /nfs/dbraw/zinc/00/23/34/1067002334.db2.gz CTFNBIGSTFSBPJ-CAKYRVLISA-N 1 0 453.675 4.539 20 0 JJADRO CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC001449355773 1067002870 /nfs/dbraw/zinc/00/28/70/1067002870.db2.gz LQAHMYILFLSZIC-DHLKQENFSA-N 1 0 453.652 4.875 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1cccnc1OC)c1ccccc1 ZINC001545738579 1067003002 /nfs/dbraw/zinc/00/30/02/1067003002.db2.gz KKWDDJLXVIJERB-RUZDIDTESA-N 1 0 476.669 4.829 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCCC(=O)N(C)C)c1ccccc1 ZINC001545738823 1067003647 /nfs/dbraw/zinc/00/36/47/1067003647.db2.gz OTSKNOWZJCBBJD-AREMUKBSSA-N 1 0 494.728 4.781 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCCc1nnc(C)s1)c1ccccc1 ZINC001545740582 1067005467 /nfs/dbraw/zinc/00/54/67/1067005467.db2.gz AHBPAOUPFQEKJZ-QFIPXVFZSA-N 1 0 467.687 4.580 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1CC1(O)CCCCC1)c1ccccc1 ZINC001545741626 1067008174 /nfs/dbraw/zinc/00/81/74/1067008174.db2.gz UETFNQQLDJJVJR-XMMPIXPASA-N 1 0 453.675 4.826 20 0 JJADRO CC[C@H](c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545741886 1067009055 /nfs/dbraw/zinc/00/90/55/1067009055.db2.gz YHCGFIHKFVHKAY-VWLOTQADSA-N 1 0 480.701 4.532 20 0 JJADRO CC[C@H](Cn1c(N(C)CCc2ccc(Br)cc2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014180 1067009251 /nfs/dbraw/zinc/00/92/51/1067009251.db2.gz CZKLBSHTYMDERA-HXUWFJFHSA-N 1 0 462.480 4.891 20 0 JJADRO CC[C@@H](Cn1c(N(Cc2cccc(OC)c2)C[C@@H]2CCCO2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014225 1067009560 /nfs/dbraw/zinc/00/95/60/1067009560.db2.gz DSMKFFQGRHEBJO-UPVQGACJSA-N 1 0 469.674 4.644 20 0 JJADRO CC[C@H](Cn1c(N(Cc2cccc(OC)c2)C[C@@H]2CCCO2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014226 1067009759 /nfs/dbraw/zinc/00/97/59/1067009759.db2.gz DSMKFFQGRHEBJO-VWNXMTODSA-N 1 0 469.674 4.644 20 0 JJADRO CCn1cnc2c1nc(Cl)nc2N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001458240135 1067009950 /nfs/dbraw/zinc/00/99/50/1067009950.db2.gz WBAMUWOPFSMBOB-UHFFFAOYSA-N 1 0 453.805 4.909 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001545743928 1067010455 /nfs/dbraw/zinc/01/04/55/1067010455.db2.gz TUTLGLOKNHAQTG-NSAZKJPHSA-N 1 0 450.458 4.790 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545745660 1067012564 /nfs/dbraw/zinc/01/25/64/1067012564.db2.gz DUYJHVWHJQZXHI-RMTZWNOUSA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)O)c1ccccc1 ZINC001545746273 1067013947 /nfs/dbraw/zinc/01/39/47/1067013947.db2.gz MJOOZNAHHRQOLY-ISKFKSNPSA-N 1 0 453.675 4.683 20 0 JJADRO COC(=O)c1sc2nc(C)nc(N(CC[NH+]3CCCC3)Cc3ccc(Cl)cc3)c2c1C ZINC001458256888 1067014198 /nfs/dbraw/zinc/01/41/98/1067014198.db2.gz VINFLLIDDPHATH-UHFFFAOYSA-N 1 0 459.015 4.851 20 0 JJADRO CNc1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)c(Cl)c1 ZINC001449608600 1067017505 /nfs/dbraw/zinc/01/75/05/1067017505.db2.gz NIEIGNXUXMOMLE-ZDUSSCGKSA-N 1 0 451.796 4.537 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1)c1ccccc1 ZINC001545748494 1067017683 /nfs/dbraw/zinc/01/76/83/1067017683.db2.gz BFFTUXXLNICPAR-DNQXCXABSA-N 1 0 451.659 4.866 20 0 JJADRO Cc1ccc(F)c2[nH]c(C(=O)Nc3cc(Br)ccc3N3CC[N@@H+](C)C[C@@H]3C)cc21 ZINC001449609642 1067017755 /nfs/dbraw/zinc/01/77/55/1067017755.db2.gz RSURTCVQGIFJQV-AWEZNQCLSA-N 1 0 459.363 4.771 20 0 JJADRO CCC[C@H]1CN(C(=O)[C@H](OC)c2ccc(Br)s2)CC[N@@H+]1Cc1ccccc1 ZINC001458273331 1067017960 /nfs/dbraw/zinc/01/79/60/1067017960.db2.gz CHFZUGPKNQEWOU-FXAWDEMLSA-N 1 0 451.430 4.711 20 0 JJADRO CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001458274806 1067019041 /nfs/dbraw/zinc/01/90/41/1067019041.db2.gz HIWXLHXPHTYXGX-HSEVWJGZSA-N 1 0 452.595 4.995 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001545749558 1067020652 /nfs/dbraw/zinc/02/06/52/1067020652.db2.gz PPNBXOFKPYTTSB-NIJXNBFTSA-N 1 0 478.689 4.600 20 0 JJADRO O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC001458283243 1067020888 /nfs/dbraw/zinc/02/08/88/1067020888.db2.gz JVBINHKRCJLCQO-QXAKKESOSA-N 1 0 456.505 4.832 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001545749816 1067021055 /nfs/dbraw/zinc/02/10/55/1067021055.db2.gz UKSNDTCQSYCNFJ-PZUNEJSGSA-N 1 0 494.728 4.683 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](COC)C2)n1C[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545749819 1067021133 /nfs/dbraw/zinc/02/11/33/1067021133.db2.gz UMFASTBTUGXRGB-MDNUFGMLSA-N 1 0 451.615 4.579 20 0 JJADRO COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001458283974 1067021002 /nfs/dbraw/zinc/02/10/02/1067021002.db2.gz VBVBSIBWQCTBGW-QPPBQGQZSA-N 1 0 452.595 4.980 20 0 JJADRO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545751697 1067025095 /nfs/dbraw/zinc/02/50/95/1067025095.db2.gz KBIDFTSRBYYGJY-BVAGGSTKSA-N 1 0 480.701 4.533 20 0 JJADRO CC[C@@H](c1nnc(N2CCCN(c3ncccc3F)CC2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545751876 1067025371 /nfs/dbraw/zinc/02/53/71/1067025371.db2.gz NECYWNSXCOVCJF-XMMPIXPASA-N 1 0 493.675 4.801 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545751735 1067025466 /nfs/dbraw/zinc/02/54/66/1067025466.db2.gz KMHXEPFTBYDOHT-DFCKQENNSA-N 1 0 483.701 4.572 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545751737 1067025614 /nfs/dbraw/zinc/02/56/14/1067025614.db2.gz KMHXEPFTBYDOHT-HDYLNDSGSA-N 1 0 483.701 4.572 20 0 JJADRO CC[C@H](Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1-c1cccn1C)[NH+]1CCCC1 ZINC001546017282 1067026830 /nfs/dbraw/zinc/02/68/30/1067026830.db2.gz RQCYDYHJUMCZEA-DNVFCKCGSA-N 1 0 471.049 5.000 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)SC)c1ccccc1 ZINC001545753876 1067029122 /nfs/dbraw/zinc/02/91/22/1067029122.db2.gz ADOHVIVDXZWZOV-FYYLOGMGSA-N 1 0 471.715 4.510 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546099328 1067029707 /nfs/dbraw/zinc/02/97/07/1067029707.db2.gz BJSAXEMJSCBNCV-IGKIAQTJSA-N 1 0 469.674 4.681 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756111 1067032345 /nfs/dbraw/zinc/03/23/45/1067032345.db2.gz AWELBUQEDNLIFM-PMACEKPBSA-N 1 0 467.580 4.708 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756480 1067033967 /nfs/dbraw/zinc/03/39/67/1067033967.db2.gz IPRFAQNZFMVXPP-URXFXBBRSA-N 1 0 496.700 4.655 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545757493 1067035996 /nfs/dbraw/zinc/03/59/96/1067035996.db2.gz ZWHIRUVLRJSYPK-XUZZJYLKSA-N 1 0 496.103 4.925 20 0 JJADRO C[N@@H+]1CCN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)CC12CCCCC2 ZINC001449904413 1067036175 /nfs/dbraw/zinc/03/61/75/1067036175.db2.gz XATAYAFOIRPIPX-UHFFFAOYSA-N 1 0 454.459 4.654 20 0 JJADRO Cc1sc2nc(C)nc(SCC(=O)N[C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c2c1C ZINC001458345673 1067036945 /nfs/dbraw/zinc/03/69/45/1067036945.db2.gz DDKYOLXPHMMABH-JXFKEZNVSA-N 1 0 454.665 4.735 20 0 JJADRO CC1(C)CN(C(=O)c2cc(Br)ccc2N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449944289 1067038390 /nfs/dbraw/zinc/03/83/90/1067038390.db2.gz NLJFMLCFULPPAR-JOCHJYFZSA-N 1 0 456.428 4.794 20 0 JJADRO CC[NH+](CC)CCN(C(=O)c1cnc2ccnn2c1C(F)F)c1cccc(C(F)(F)F)c1 ZINC001458348776 1067038703 /nfs/dbraw/zinc/03/87/03/1067038703.db2.gz QFRGKAGZKQTEQL-UHFFFAOYSA-N 1 0 455.431 4.674 20 0 JJADRO COc1ccc([C@@H](OC)[C@@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001458348684 1067038808 /nfs/dbraw/zinc/03/88/08/1067038808.db2.gz LBIHXCFBSFJTJU-YJECHUCRSA-N 1 0 450.623 4.826 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@H](OC)C(C)C)c1ccccc1 ZINC001545758705 1067039972 /nfs/dbraw/zinc/03/99/72/1067039972.db2.gz LPWRZXWSAHLASG-RPBOFIJWSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545758913 1067040179 /nfs/dbraw/zinc/04/01/79/1067040179.db2.gz PAXJXGFIAFKJOC-XMMPIXPASA-N 1 0 496.700 4.609 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCOCC(F)F)c1ccccc1 ZINC001545759026 1067040750 /nfs/dbraw/zinc/04/07/50/1067040750.db2.gz QJXHIEUCPBQKKL-JOCHJYFZSA-N 1 0 461.601 4.556 20 0 JJADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021659 1067042391 /nfs/dbraw/zinc/04/23/91/1067042391.db2.gz OMVSJAILOYNOCK-RXVVDRJESA-N 1 0 453.435 4.790 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccccc1 ZINC001545759499 1067042489 /nfs/dbraw/zinc/04/24/89/1067042489.db2.gz YSQFSNSPFCFBLG-WHCXKFMVSA-N 1 0 488.671 4.718 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001458369542 1067043792 /nfs/dbraw/zinc/04/37/92/1067043792.db2.gz PQWFPHPHSPVZPT-UPVQGACJSA-N 1 0 456.428 4.887 20 0 JJADRO CC[NH+]1CCC(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)(c2ccccc2)CC1 ZINC001450045364 1067043974 /nfs/dbraw/zinc/04/39/74/1067043974.db2.gz DLMAUCOZUIQMDZ-NRFANRHFSA-N 1 0 455.440 4.894 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545761194 1067044577 /nfs/dbraw/zinc/04/45/77/1067044577.db2.gz OFGNRDNUJCGORB-MFYODDQASA-N 1 0 497.728 4.959 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](CC)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001546019107 1067045114 /nfs/dbraw/zinc/04/51/14/1067045114.db2.gz OLDSVRWKZSVYKY-IVGWJTKZSA-N 1 0 487.664 4.724 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545761839 1067045762 /nfs/dbraw/zinc/04/57/62/1067045762.db2.gz XQWOQSZSBVWQHA-CQOQZXRMSA-N 1 0 465.642 4.967 20 0 JJADRO C[C@@H]1CN(C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC001450059714 1067045879 /nfs/dbraw/zinc/04/58/79/1067045879.db2.gz DLFIOFMZICEZMT-FDDCHVKYSA-N 1 0 457.412 4.902 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545761791 1067045871 /nfs/dbraw/zinc/04/58/71/1067045871.db2.gz XGDRGLPIZXAQFY-HRRBBWQUSA-N 1 0 453.675 4.944 20 0 JJADRO C[C@@H]1CN(C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC001450059738 1067046037 /nfs/dbraw/zinc/04/60/37/1067046037.db2.gz DLFIOFMZICEZMT-MBSDFSHPSA-N 1 0 457.412 4.902 20 0 JJADRO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC001450061768 1067046070 /nfs/dbraw/zinc/04/60/70/1067046070.db2.gz HOINQOQURGURIV-FQEVSTJZSA-N 1 0 451.636 4.672 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545763304 1067046960 /nfs/dbraw/zinc/04/69/60/1067046960.db2.gz GTBBKYWMEMMRKW-JUMFHWHPSA-N 1 0 497.728 4.962 20 0 JJADRO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001458385297 1067047497 /nfs/dbraw/zinc/04/74/97/1067047497.db2.gz JJUDHLULYHCEMO-UHFFFAOYSA-N 1 0 459.616 4.581 20 0 JJADRO CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001458387943 1067048499 /nfs/dbraw/zinc/04/84/99/1067048499.db2.gz QHYVGRHGCHZZPN-QGCDCVKKSA-N 1 0 454.920 4.987 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545764319 1067048490 /nfs/dbraw/zinc/04/84/90/1067048490.db2.gz UFFQBBYJCRKQNF-GVAUOCQISA-N 1 0 483.701 4.571 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C3(Cc4cccc(Cl)c4)CC3)cc2)C[C@H]1C ZINC001458395923 1067050612 /nfs/dbraw/zinc/05/06/12/1067050612.db2.gz NOAIKPWIOOCEPY-OYRHEFFESA-N 1 0 455.042 4.988 20 0 JJADRO Cc1c(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cnn1CCC(C)C ZINC001450131940 1067051990 /nfs/dbraw/zinc/05/19/90/1067051990.db2.gz CLECQCJIGKUZSH-AREMUKBSSA-N 1 0 459.638 4.940 20 0 JJADRO CCOc1ccc(-c2nc(CC(=O)NC[C@@H](c3ccc(SC)cc3)[NH+](C)C)cs2)cc1 ZINC001450138127 1067052355 /nfs/dbraw/zinc/05/23/55/1067052355.db2.gz VXZYOTWJXPAVAZ-QFIPXVFZSA-N 1 0 455.649 4.892 20 0 JJADRO CC[C@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545767882 1067053430 /nfs/dbraw/zinc/05/34/30/1067053430.db2.gz ISFNAPBDGHVERH-ZDXQCDESSA-N 1 0 488.671 4.575 20 0 JJADRO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)SC ZINC001545768378 1067054239 /nfs/dbraw/zinc/05/42/39/1067054239.db2.gz UTPPKRRWSHTATH-HSZRJFAPSA-N 1 0 498.741 4.537 20 0 JJADRO CCCC[N@H+](C)C[C@H](C)Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001458415205 1067056354 /nfs/dbraw/zinc/05/63/54/1067056354.db2.gz ODELRXGTBOEQKD-IBGZPJMESA-N 1 0 453.656 4.723 20 0 JJADRO CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)SC ZINC001545771580 1067058870 /nfs/dbraw/zinc/05/88/70/1067058870.db2.gz TYDAGBIQOPPJME-DOTOQJQBSA-N 1 0 481.508 4.630 20 0 JJADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C[C@H]1C ZINC001458431120 1067059073 /nfs/dbraw/zinc/05/90/73/1067059073.db2.gz PDDNFNCYIUNFIL-IAGOWNOFSA-N 1 0 458.400 4.565 20 0 JJADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)Nc1ccccc1C[NH+](C)C ZINC001450218426 1067060629 /nfs/dbraw/zinc/06/06/29/1067060629.db2.gz IQIRRDMKNSULPS-INIZCTEOSA-N 1 0 450.364 4.950 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001450225618 1067061075 /nfs/dbraw/zinc/06/10/75/1067061075.db2.gz IERVHMSWHHHFAB-JOCHJYFZSA-N 1 0 455.643 4.537 20 0 JJADRO COC(=O)c1ccoc1CSc1ccccc1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC001450229012 1067061473 /nfs/dbraw/zinc/06/14/73/1067061473.db2.gz IFANSFUXPQQWHQ-UHFFFAOYSA-N 1 0 456.608 4.743 20 0 JJADRO Cc1cc(Br)ccc1CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458444639 1067061859 /nfs/dbraw/zinc/06/18/59/1067061859.db2.gz AJDFYQDMWPNBDW-IIBYNOLFSA-N 1 0 453.783 4.902 20 0 JJADRO Cc1ccc(C2(C(=O)NC[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)CCOCC2)cc1C ZINC001458445441 1067062566 /nfs/dbraw/zinc/06/25/66/1067062566.db2.gz CGVYLKKBNCABLY-GBXCKJPGSA-N 1 0 459.005 4.953 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448250 1067063792 /nfs/dbraw/zinc/06/37/92/1067063792.db2.gz NOGCCJLWHBAHSS-UGKGYDQZSA-N 1 0 459.993 4.564 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCC([NH2+]C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545774100 1067064685 /nfs/dbraw/zinc/06/46/85/1067064685.db2.gz DIUSACJYGGIGFY-UHFFFAOYSA-N 1 0 488.677 4.897 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2ccccc2C2CCC2)cc1OC ZINC001458462163 1067068966 /nfs/dbraw/zinc/06/89/66/1067068966.db2.gz ZHENARHJQJMUGO-UHFFFAOYSA-N 1 0 458.002 4.940 20 0 JJADRO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)OC ZINC001545777613 1067071623 /nfs/dbraw/zinc/07/16/23/1067071623.db2.gz HQKVDELDXSBSLL-QFIPXVFZSA-N 1 0 464.658 4.590 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)SC ZINC001545779338 1067074240 /nfs/dbraw/zinc/07/42/40/1067074240.db2.gz LQWCJTMMJKNUGG-NRFANRHFSA-N 1 0 452.672 4.906 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(C1)CCN(C(=O)C1(C)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001450384662 1067074849 /nfs/dbraw/zinc/07/48/49/1067074849.db2.gz HZJGEWFHGGPPPX-UHFFFAOYSA-N 1 0 455.643 4.538 20 0 JJADRO CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)SC ZINC001545779700 1067074892 /nfs/dbraw/zinc/07/48/92/1067074892.db2.gz YAQFOTVETJJFBY-UHFFFAOYSA-N 1 0 464.683 4.974 20 0 JJADRO CCC(CC)(Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)SC ZINC001545782903 1067078205 /nfs/dbraw/zinc/07/82/05/1067078205.db2.gz ZDLNMUCLCXJJCZ-UHFFFAOYSA-N 1 0 497.713 4.826 20 0 JJADRO CC[NH+]1CCC(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)(c2ccccc2)CC1 ZINC001545783357 1067078393 /nfs/dbraw/zinc/07/83/93/1067078393.db2.gz OMURBXVRISEHOE-UHFFFAOYSA-N 1 0 459.565 4.748 20 0 JJADRO CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)OC ZINC001545784411 1067080988 /nfs/dbraw/zinc/08/09/88/1067080988.db2.gz SHYPTFJBUXEGBQ-UPVQGACJSA-N 1 0 475.722 4.858 20 0 JJADRO CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CC[NH+](CCC(C)C)CC2)CCO1 ZINC001546101707 1067081229 /nfs/dbraw/zinc/08/12/29/1067081229.db2.gz JKFSSRPECPKFBE-GKAFBRTNSA-N 1 0 489.749 4.960 20 0 JJADRO CCC(O)(CC)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001546022882 1067081563 /nfs/dbraw/zinc/08/15/63/1067081563.db2.gz QCXLOIWSRHWAJO-NRFANRHFSA-N 1 0 487.664 4.811 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)CCO1 ZINC001546101732 1067081741 /nfs/dbraw/zinc/08/17/41/1067081741.db2.gz KAHNLVDNOQNPGG-PRVBGKCFSA-N 1 0 483.701 4.724 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC001458535620 1067084154 /nfs/dbraw/zinc/08/41/54/1067084154.db2.gz GNCQBBZUQZXERC-USURPYQISA-N 1 0 460.643 4.825 20 0 JJADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541390 1067088459 /nfs/dbraw/zinc/08/84/59/1067088459.db2.gz OBUJTSLYGDVGHT-CVDCTZTESA-N 1 0 455.549 4.538 20 0 JJADRO CCC(CC)(Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)SC ZINC001545791402 1067088973 /nfs/dbraw/zinc/08/89/73/1067088973.db2.gz QYAMJASELLNLCS-RBBKRZOGSA-N 1 0 471.715 4.667 20 0 JJADRO Cc1nc2sc3c(c2c(NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)n1)CC[C@H](C)C3 ZINC001458577666 1067090332 /nfs/dbraw/zinc/09/03/32/1067090332.db2.gz KWKGYICUSUMDDB-HNNXBMFYSA-N 1 0 459.660 4.526 20 0 JJADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(COc4ccccc4Br)cc3)C2)CC1 ZINC001458589621 1067091125 /nfs/dbraw/zinc/09/11/25/1067091125.db2.gz SLZABRVZVVUJSJ-NRFANRHFSA-N 1 0 457.412 4.832 20 0 JJADRO CCC(CC)(Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)CC(C)(C)C1)OC ZINC001545793108 1067091718 /nfs/dbraw/zinc/09/17/18/1067091718.db2.gz WQYHGWGNVQBXST-XMMPIXPASA-N 1 0 496.744 4.720 20 0 JJADRO CCC(CC)(Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)CC(C)(C)C1)OC ZINC001545793107 1067091777 /nfs/dbraw/zinc/09/17/77/1067091777.db2.gz WQYHGWGNVQBXST-DEOSSOPVSA-N 1 0 496.744 4.720 20 0 JJADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001450604417 1067094330 /nfs/dbraw/zinc/09/43/30/1067094330.db2.gz GKYOOUXTOJZYFO-IIBYNOLFSA-N 1 0 451.380 4.945 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546102359 1067095232 /nfs/dbraw/zinc/09/52/32/1067095232.db2.gz WXTBDWDDRTVYQY-RZIGYZOXSA-N 1 0 499.700 4.628 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)CCO1 ZINC001546102147 1067096549 /nfs/dbraw/zinc/09/65/49/1067096549.db2.gz SBPCGIOTASHRHW-DEOSSOPVSA-N 1 0 476.065 4.780 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634041 1067099246 /nfs/dbraw/zinc/09/92/46/1067099246.db2.gz WDKQNAGOTYLPIS-VGSWGCGISA-N 1 0 456.011 4.555 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546102508 1067099301 /nfs/dbraw/zinc/09/93/01/1067099301.db2.gz ZGDMNXSNIXVGBC-XDSPWSPCSA-N 1 0 475.703 4.566 20 0 JJADRO Cc1ccc(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc1NC(=O)CC[NH+](C)C ZINC001458659245 1067101917 /nfs/dbraw/zinc/10/19/17/1067101917.db2.gz YAUIFSUFLCNGTR-UHFFFAOYSA-N 1 0 451.464 4.713 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC001450697108 1067105156 /nfs/dbraw/zinc/10/51/56/1067105156.db2.gz DRNRHEUYTFSSNO-UHFFFAOYSA-N 1 0 459.413 4.637 20 0 JJADRO Cc1cccc(CO[C@H](C)C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)c1 ZINC001450699935 1067106142 /nfs/dbraw/zinc/10/61/42/1067106142.db2.gz KOUCBLPFKAQJBD-LJQANCHMSA-N 1 0 459.428 4.786 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@@H](O)C2CCCCCCC2)CC1 ZINC001450701229 1067106942 /nfs/dbraw/zinc/10/69/42/1067106942.db2.gz NGTJIZDCXIBXJY-QFIPXVFZSA-N 1 0 451.449 4.593 20 0 JJADRO CN(C)c1cccc(CCC(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)c1 ZINC001450704602 1067107578 /nfs/dbraw/zinc/10/75/78/1067107578.db2.gz YIBHLVIVBBSIRI-UHFFFAOYSA-N 1 0 458.444 4.571 20 0 JJADRO COc1ccc(-c2cc(C(=O)N[C@@H](C[NH+](C)C)c3ccc(F)cc3)nn2-c2ccccc2)cc1 ZINC001450705003 1067108000 /nfs/dbraw/zinc/10/80/00/1067108000.db2.gz OPWAPZSOBCELIE-VWLOTQADSA-N 1 0 458.537 4.720 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1)[NH+]1CCOCC1 ZINC001545803687 1067114082 /nfs/dbraw/zinc/11/40/82/1067114082.db2.gz SDUPJRDTALOLHE-SANMLTNESA-N 1 0 483.701 4.895 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1)[NH+]1CCOCC1 ZINC001545803686 1067114153 /nfs/dbraw/zinc/11/41/53/1067114153.db2.gz SDUPJRDTALOLHE-AREMUKBSSA-N 1 0 483.701 4.895 20 0 JJADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC001545804886 1067116879 /nfs/dbraw/zinc/11/68/79/1067116879.db2.gz DEUGTISGACJODQ-SJORKVTESA-N 1 0 458.598 4.812 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@@H](C)C1)[NH+](C)C ZINC001545804991 1067117417 /nfs/dbraw/zinc/11/74/17/1067117417.db2.gz GFBCRLWAGWWGAL-FIKGOQFSSA-N 1 0 479.511 4.895 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001545805153 1067118229 /nfs/dbraw/zinc/11/82/29/1067118229.db2.gz IIPMLPWNYOBAJD-SPEDKVCISA-N 1 0 463.667 4.865 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(C1)CCOCC2)[NH+](C)C ZINC001545805210 1067118736 /nfs/dbraw/zinc/11/87/36/1067118736.db2.gz JHLWZXLREVTQQN-REWPJTCUSA-N 1 0 487.664 4.931 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+](C)C ZINC001545805450 1067119628 /nfs/dbraw/zinc/11/96/28/1067119628.db2.gz NNQVXOYKJIWNIO-IPJJNNNSSA-N 1 0 475.653 4.927 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ncc(Cl)n1C)[NH+](C)C ZINC001545805463 1067119715 /nfs/dbraw/zinc/11/97/15/1067119715.db2.gz NRVHYGOMGONYCR-IBGZPJMESA-N 1 0 478.472 4.988 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCOC[C@H](C2CCC2)C1)[NH+](C)C ZINC001545805547 1067120276 /nfs/dbraw/zinc/12/02/76/1067120276.db2.gz OXAWZVNXKYFIKN-ILBGXUMGSA-N 1 0 469.674 4.573 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nccs2)C1)[NH+](C)C ZINC001545805598 1067120295 /nfs/dbraw/zinc/12/02/95/1067120295.db2.gz PNIGBAZWJNKWES-NHCUHLMSSA-N 1 0 489.089 4.999 20 0 JJADRO C[C@H]1[C@@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001450789449 1067120910 /nfs/dbraw/zinc/12/09/10/1067120910.db2.gz JOBYHXMSEWGVQU-URXFXBBRSA-N 1 0 457.659 4.973 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CO)CC1)[NH+](C)C ZINC001545805726 1067121114 /nfs/dbraw/zinc/12/11/14/1067121114.db2.gz REFCYJVPHDJZOM-GCJKJVERSA-N 1 0 473.731 4.707 20 0 JJADRO Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450794180 1067121808 /nfs/dbraw/zinc/12/18/08/1067121808.db2.gz FQXUPVSINUIGLI-QFIPXVFZSA-N 1 0 457.615 4.844 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C)[NH+]1CCOCC1 ZINC001545805914 1067122134 /nfs/dbraw/zinc/12/21/34/1067122134.db2.gz UVGLJXQSQZHSSW-KOSHJBKYSA-N 1 0 475.628 4.940 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C)[NH+]1CCOCC1 ZINC001545805915 1067122213 /nfs/dbraw/zinc/12/22/13/1067122213.db2.gz UVGLJXQSQZHSSW-MHECFPHRSA-N 1 0 475.628 4.940 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C)C1)[NH+](C)C ZINC001545806147 1067122985 /nfs/dbraw/zinc/12/29/85/1067122985.db2.gz ZTWCYRAQESZLMM-OXQOHEQNSA-N 1 0 465.484 4.649 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](COC)C1)[NH+](C)C ZINC001545806150 1067123020 /nfs/dbraw/zinc/12/30/20/1067123020.db2.gz ZWIRFBXENPJFFC-GCJKJVERSA-N 1 0 492.506 4.937 20 0 JJADRO C[C@@H]1[C@@H](NC(=O)[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001450801342 1067123218 /nfs/dbraw/zinc/12/32/18/1067123218.db2.gz SDIBCVDOYWYHJD-UIUQJESISA-N 1 0 459.609 4.806 20 0 JJADRO C[C@@H]1[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001450806777 1067123893 /nfs/dbraw/zinc/12/38/93/1067123893.db2.gz WVIDEPXKJUJTCY-TZIWHRDSSA-N 1 0 454.640 4.592 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)[NH+](C)C ZINC001545807399 1067125607 /nfs/dbraw/zinc/12/56/07/1067125607.db2.gz HKNJERDVPNCKQU-NEKDWFFYSA-N 1 0 496.700 4.640 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)Cc1ccccn1)[NH+](C)C ZINC001545807619 1067126992 /nfs/dbraw/zinc/12/69/92/1067126992.db2.gz LLODOVLEINPCON-DEOSSOPVSA-N 1 0 457.626 4.891 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCOC2)C1)[NH+](C)C ZINC001545807583 1067127110 /nfs/dbraw/zinc/12/71/10/1067127110.db2.gz KWRDUKXFKMJCOX-XUZZJYLKSA-N 1 0 490.490 4.691 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(=O)OC)C1)[NH+](C)C ZINC001545807693 1067127482 /nfs/dbraw/zinc/12/74/82/1067127482.db2.gz MRELNRBDQZTDOP-JXFKEZNVSA-N 1 0 482.456 4.618 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccsc1)[NH+]1CCOCC1 ZINC001545807845 1067128626 /nfs/dbraw/zinc/12/86/26/1067128626.db2.gz ORORBRIKHFNEHL-NRFANRHFSA-N 1 0 489.089 4.828 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(COC)CC1)[NH+](C)C ZINC001545807877 1067129576 /nfs/dbraw/zinc/12/95/76/1067129576.db2.gz PCZUKDLMKVYWBF-FQEVSTJZSA-N 1 0 463.070 4.613 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CCC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001450839103 1067130355 /nfs/dbraw/zinc/13/03/55/1067130355.db2.gz WTTDYRDUIPFMAH-XMMPIXPASA-N 1 0 457.659 4.832 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1)[NH+](C)C ZINC001545807903 1067130226 /nfs/dbraw/zinc/13/02/26/1067130226.db2.gz PGOMLHUWGPFTPA-VJBMBRPKSA-N 1 0 490.092 4.979 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCOC1)[NH+](C)C ZINC001545807931 1067130346 /nfs/dbraw/zinc/13/03/46/1067130346.db2.gz PSSMWJANPQPSEE-HRAATJIYSA-N 1 0 452.018 4.577 20 0 JJADRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)O2 ZINC001450846972 1067131641 /nfs/dbraw/zinc/13/16/41/1067131641.db2.gz KQYWCKDPLOZBSC-QDPGVEIFSA-N 1 0 450.623 4.820 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545808088 1067131770 /nfs/dbraw/zinc/13/17/70/1067131770.db2.gz SDUFEAAQFJFWLI-DVECYGJZSA-N 1 0 464.658 4.863 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC001545808201 1067132270 /nfs/dbraw/zinc/13/22/70/1067132270.db2.gz UQUZPBZSEOJWIP-BWKNWUBXSA-N 1 0 483.701 4.963 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCOCC1 ZINC001545808298 1067132907 /nfs/dbraw/zinc/13/29/07/1067132907.db2.gz WGPJIZRCUKTXLH-ZJSXRUAMSA-N 1 0 499.700 4.726 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC001545808292 1067132959 /nfs/dbraw/zinc/13/29/59/1067132959.db2.gz WFZQIQLIBTURPO-HXUWFJFHSA-N 1 0 498.018 4.590 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC001545808328 1067133536 /nfs/dbraw/zinc/13/35/36/1067133536.db2.gz WTRWDFPCRDGAHY-TZIWHRDSSA-N 1 0 485.702 4.553 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001545808341 1067133563 /nfs/dbraw/zinc/13/35/63/1067133563.db2.gz WXWWMAYBKSEDAL-JOCHJYFZSA-N 1 0 478.468 4.981 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C)[NH+]1CCOCC1 ZINC001545808334 1067133695 /nfs/dbraw/zinc/13/36/95/1067133695.db2.gz WUTLCERXAQEPOO-XMSQKQJNSA-N 1 0 478.106 4.677 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(=O)NC)CC1)[NH+](C)C ZINC001545808460 1067134492 /nfs/dbraw/zinc/13/44/92/1067134492.db2.gz ZGFVOTJUWAFJSP-VWLOTQADSA-N 1 0 496.744 4.962 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(F)(F)F)[NH+]1CCOCC1 ZINC001545808464 1067135018 /nfs/dbraw/zinc/13/50/18/1067135018.db2.gz ZJFSUEQXZDVHQR-LJQANCHMSA-N 1 0 491.961 4.873 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1)[NH+](C)C ZINC001545809648 1067136335 /nfs/dbraw/zinc/13/63/35/1067136335.db2.gz HYKRNLJDNLBXQX-PXDATVDWSA-N 1 0 496.679 4.576 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCc2cccc(F)c2[C@H]1C)[NH+](C)C ZINC001545809863 1067136985 /nfs/dbraw/zinc/13/69/85/1067136985.db2.gz LSOWXUSTQDRNQJ-JPYJTQIMSA-N 1 0 450.606 4.969 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2Cl)CC1)[NH+](C)C ZINC001545810654 1067137524 /nfs/dbraw/zinc/13/75/24/1067137524.db2.gz ZOGHTFOLVFREER-HSZRJFAPSA-N 1 0 470.065 4.620 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1)[NH+](C)C ZINC001545810370 1067138292 /nfs/dbraw/zinc/13/82/92/1067138292.db2.gz VHVIBPXJLIMKAD-FCHUYYIVSA-N 1 0 499.635 4.535 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001545810501 1067138807 /nfs/dbraw/zinc/13/88/07/1067138807.db2.gz XJGUUTILMVJIPV-UNMCSNQZSA-N 1 0 469.703 4.799 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001545812142 1067139968 /nfs/dbraw/zinc/13/99/68/1067139968.db2.gz JJPDMDAVYWPRFN-PIPMEXSNSA-N 1 0 454.594 4.761 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Br)cs1)[NH+](C)C ZINC001545812027 1067139998 /nfs/dbraw/zinc/13/99/98/1067139998.db2.gz HFCCVJGEDYLWEC-IBGZPJMESA-N 1 0 494.507 4.505 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC[C@@H](C)C1)[NH+](C)C ZINC001545811976 1067140176 /nfs/dbraw/zinc/14/01/76/1067140176.db2.gz GJHLQMHFKGHIHO-XMSQKQJNSA-N 1 0 465.646 4.587 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccccc2C)C1)[NH+](C)C ZINC001545812392 1067140769 /nfs/dbraw/zinc/14/07/69/1067140769.db2.gz NYJKVXSDGZVBIK-UIOOFZCWSA-N 1 0 476.669 4.901 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC1CCCCC1)[NH+](C)C ZINC001545812850 1067141225 /nfs/dbraw/zinc/14/12/25/1067141225.db2.gz WIPDECDSFSBRSV-XMMPIXPASA-N 1 0 493.700 4.575 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001546028116 1067141911 /nfs/dbraw/zinc/14/19/11/1067141911.db2.gz XBFTXRBLWLNPTF-FYYLOGMGSA-N 1 0 469.674 4.594 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(C)CC1)[NH+](C)C ZINC001545814758 1067143045 /nfs/dbraw/zinc/14/30/45/1067143045.db2.gz GTEQZYDIJYJPNT-PKTZIBPZSA-N 1 0 488.721 4.915 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)[NH+](C)C ZINC001545814847 1067143070 /nfs/dbraw/zinc/14/30/70/1067143070.db2.gz IDBSQQPNDNHSPF-OIBXWCBGSA-N 1 0 494.055 4.519 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C1CCCC1)[NH+](C)C ZINC001545814988 1067143389 /nfs/dbraw/zinc/14/33/89/1067143389.db2.gz KNGJXSYKELNEQA-QPPBQGQZSA-N 1 0 455.647 4.926 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545814981 1067143488 /nfs/dbraw/zinc/14/34/88/1067143488.db2.gz KLQVIDHPQIYXDT-KMDXXIMOSA-N 1 0 473.637 4.603 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N(C)Cc1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC001545815049 1067144179 /nfs/dbraw/zinc/14/41/79/1067144179.db2.gz LNPNUBFELKIOMM-QHCPKHFHSA-N 1 0 461.601 4.597 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccsc1)[NH+](C)C ZINC001545815212 1067144831 /nfs/dbraw/zinc/14/48/31/1067144831.db2.gz NNUCMBWWEWBVSX-OFNKIYASSA-N 1 0 469.655 4.855 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1)[NH+](C)C ZINC001545815680 1067145215 /nfs/dbraw/zinc/14/52/15/1067145215.db2.gz TXCBURGJMAEFDP-DQEYMECFSA-N 1 0 497.684 4.691 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCOCC1 ZINC001545816093 1067145978 /nfs/dbraw/zinc/14/59/78/1067145978.db2.gz ZVGCWIWAKYVRCX-QFIPXVFZSA-N 1 0 479.591 4.736 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001545816932 1067146072 /nfs/dbraw/zinc/14/60/72/1067146072.db2.gz AUXRWHVVNRQUDX-XMMPIXPASA-N 1 0 498.716 4.601 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817154 1067146477 /nfs/dbraw/zinc/14/64/77/1067146477.db2.gz FQTMZGGSRFVHTN-RCZVLFRGSA-N 1 0 464.633 4.763 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCSC2)C1)[NH+](C)C ZINC001545817194 1067147263 /nfs/dbraw/zinc/14/72/63/1067147263.db2.gz GASGRWLONORTMH-RCZVLFRGSA-N 1 0 477.669 4.847 20 0 JJADRO Nc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451122525 1067147449 /nfs/dbraw/zinc/14/74/49/1067147449.db2.gz YTNWZAKFKBDXEV-JTHBVZDNSA-N 1 0 457.471 4.825 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817229 1067147858 /nfs/dbraw/zinc/14/78/58/1067147858.db2.gz GRLNHCYGCCIJBD-UKILVPOCSA-N 1 0 464.633 4.763 20 0 JJADRO Cc1cc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)ccc1OCC[NH+](C)C ZINC001451129332 1067148121 /nfs/dbraw/zinc/14/81/21/1067148121.db2.gz DJKLICUJMNREGV-LJQANCHMSA-N 1 0 453.583 4.803 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001545817342 1067148696 /nfs/dbraw/zinc/14/86/96/1067148696.db2.gz INNRXLATJZUGBO-GGAORHGYSA-N 1 0 465.690 4.755 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817336 1067148730 /nfs/dbraw/zinc/14/87/30/1067148730.db2.gz IMTJQLZOGILCLF-NOZRDPDXSA-N 1 0 464.633 4.763 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545817380 1067149112 /nfs/dbraw/zinc/14/91/12/1067149112.db2.gz IZERITMZFWMXED-RPBOFIJWSA-N 1 0 497.087 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1)[NH+](C)C ZINC001545817434 1067149312 /nfs/dbraw/zinc/14/93/12/1067149312.db2.gz KBKGIGRXINNEDV-FIXSFTCYSA-N 1 0 474.093 4.752 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@]2(CCc3ccccc32)C1)[NH+](C)C ZINC001545817581 1067149930 /nfs/dbraw/zinc/14/99/30/1067149930.db2.gz LYALQMSHLWVIOP-SHQCIBLASA-N 1 0 453.675 4.521 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001545817578 1067149938 /nfs/dbraw/zinc/14/99/38/1067149938.db2.gz LXIRXEPMKYDUAD-XZOQPEGZSA-N 1 0 459.654 4.626 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCSC2)C1)[NH+](C)C ZINC001545817619 1067150377 /nfs/dbraw/zinc/15/03/77/1067150377.db2.gz MPXACMHYTPBJBC-RDGATRHJSA-N 1 0 459.679 4.708 20 0 JJADRO Cc1nc2cc(C(=O)Nc3ccc(OCC[NH+](C)C)c(F)c3)ccc2n1Cc1ccsc1 ZINC001451192327 1067152555 /nfs/dbraw/zinc/15/25/55/1067152555.db2.gz FIVYSNCSHFFRAW-UHFFFAOYSA-N 1 0 452.555 4.786 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)[NH+](C)C ZINC001545819141 1067153251 /nfs/dbraw/zinc/15/32/51/1067153251.db2.gz AQXKKJXZTVCSBB-AFESJLNVSA-N 1 0 483.701 4.846 20 0 JJADRO CCC(CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCCC[C@@H]2C1)[NH+](C)C ZINC001545819378 1067154267 /nfs/dbraw/zinc/15/42/67/1067154267.db2.gz DYEYDVDNOTUQOD-VSKRKVRLSA-N 1 0 486.730 4.653 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H](C)C1)[NH+](C)C ZINC001545819347 1067154446 /nfs/dbraw/zinc/15/44/46/1067154446.db2.gz DKQVNXNRUCQPNM-JIORRVSTSA-N 1 0 490.737 4.898 20 0 JJADRO CCC(CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCCC[C@H]2C1)[NH+](C)C ZINC001545819377 1067154460 /nfs/dbraw/zinc/15/44/60/1067154460.db2.gz DYEYDVDNOTUQOD-FSSWDIPSSA-N 1 0 486.730 4.653 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2cccc(F)c2)C1)[NH+](C)C ZINC001545819641 1067155433 /nfs/dbraw/zinc/15/54/33/1067155433.db2.gz JXDIDNUEWTWYCE-ILBGXUMGSA-N 1 0 481.664 4.639 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545819735 1067156115 /nfs/dbraw/zinc/15/61/15/1067156115.db2.gz LGPDKGAMUYZQST-ATIYNZHBSA-N 1 0 476.109 4.779 20 0 JJADRO CC(C)(C)OC(=O)NC1(CNC(=O)c2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC001451296703 1067158008 /nfs/dbraw/zinc/15/80/08/1067158008.db2.gz ABJPESCSGXAJLY-UHFFFAOYSA-N 1 0 458.002 4.629 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(Cl)cc2C1)[NH+](C)C ZINC001545820227 1067158057 /nfs/dbraw/zinc/15/80/57/1067158057.db2.gz TZTFZKHORGUEST-DEOSSOPVSA-N 1 0 484.092 4.722 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545820277 1067158409 /nfs/dbraw/zinc/15/84/09/1067158409.db2.gz VCSTWNKIQPYSHJ-RDPSFJRHSA-N 1 0 466.674 4.651 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1)[NH+](C)C ZINC001545820264 1067158490 /nfs/dbraw/zinc/15/84/90/1067158490.db2.gz UYBRMGCHQDPMMD-UVUJQTEASA-N 1 0 476.710 4.652 20 0 JJADRO CC[C@H]1CCCC[C@H]1C(=O)NCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001451303701 1067158590 /nfs/dbraw/zinc/15/85/90/1067158590.db2.gz NQYIJYRAZJATJB-XZOQPEGZSA-N 1 0 457.659 4.879 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCS[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001545820374 1067159241 /nfs/dbraw/zinc/15/92/41/1067159241.db2.gz WIGPLATXRXZPSY-XZOQPEGZSA-N 1 0 491.771 4.645 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CC[C@@H](Cc3ccc(F)cc3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545820500 1067159851 /nfs/dbraw/zinc/15/98/51/1067159851.db2.gz YQAAJDBRDXWQDM-WIOPSUGQSA-N 1 0 485.692 4.921 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+](C)C ZINC001545821379 1067160488 /nfs/dbraw/zinc/16/04/88/1067160488.db2.gz BUOJPBMYTNCGIM-WSWWRLHASA-N 1 0 463.711 4.567 20 0 JJADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001451357292 1067161215 /nfs/dbraw/zinc/16/12/15/1067161215.db2.gz SOJIVTAFVYKXGU-QGZVFWFLSA-N 1 0 453.384 4.614 20 0 JJADRO C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001458833556 1067162524 /nfs/dbraw/zinc/16/25/24/1067162524.db2.gz CDZPJLWENDIHNA-IJIGOTOKSA-N 1 0 458.046 4.504 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001545822190 1067163661 /nfs/dbraw/zinc/16/36/61/1067163661.db2.gz VXJANEXJXUIAAX-PESUVLPXSA-N 1 0 475.722 4.568 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@@H+](C(C)C)CC2)on1 ZINC001545823211 1067165632 /nfs/dbraw/zinc/16/56/32/1067165632.db2.gz DUFWNHYBDVRXTH-UHFFFAOYSA-N 1 0 472.037 4.854 20 0 JJADRO CCc1csc(-n2cc(C(=O)N[C@@H](c3ccc(F)c(F)c3)C(C)(C)[NH+]3CCCC3)cn2)n1 ZINC001458841209 1067168212 /nfs/dbraw/zinc/16/82/12/1067168212.db2.gz YFWDWQFBEKSDSS-FQEVSTJZSA-N 1 0 459.566 4.515 20 0 JJADRO CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001546031322 1067172636 /nfs/dbraw/zinc/17/26/36/1067172636.db2.gz CSDLNMKILLFXCW-JOCHJYFZSA-N 1 0 468.690 4.681 20 0 JJADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC001451462812 1067173217 /nfs/dbraw/zinc/17/32/17/1067173217.db2.gz WWXKFZDXPAQTOU-AWEZNQCLSA-N 1 0 453.402 4.517 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001546032076 1067178357 /nfs/dbraw/zinc/17/83/57/1067178357.db2.gz FCNBQCAZVXFPTG-UHFFFAOYSA-N 1 0 459.432 4.671 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001545829549 1067179909 /nfs/dbraw/zinc/17/99/09/1067179909.db2.gz AAXIOCTWLYERKY-PXDATVDWSA-N 1 0 480.701 4.688 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545830407 1067181775 /nfs/dbraw/zinc/18/17/75/1067181775.db2.gz UFQJIHGUOSTEFK-NNXSRULWSA-N 1 0 460.711 4.579 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001545830628 1067182230 /nfs/dbraw/zinc/18/22/30/1067182230.db2.gz YXGOGWPYCBTOAW-RLLQIKCJSA-N 1 0 460.692 4.576 20 0 JJADRO COc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)ccc1OCC[NH+](C)C ZINC001451650499 1067183114 /nfs/dbraw/zinc/18/31/14/1067183114.db2.gz LLCUORKVUTUIQJ-UHFFFAOYSA-N 1 0 450.322 4.850 20 0 JJADRO CCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c(OCCC)c1 ZINC001458879149 1067184417 /nfs/dbraw/zinc/18/44/17/1067184417.db2.gz RGBDSCLDWTVIAK-JWQCQUIFSA-N 1 0 459.675 4.673 20 0 JJADRO CN(C(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001458881049 1067184854 /nfs/dbraw/zinc/18/48/54/1067184854.db2.gz UUCAJXTWYBJUHE-MHHVOYGZSA-N 1 0 450.042 4.768 20 0 JJADRO COc1cc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)ccc1OCC[NH+](C)C ZINC001451668332 1067185565 /nfs/dbraw/zinc/18/55/65/1067185565.db2.gz LKVMIPDRXKXIDL-RBUKOAKNSA-N 1 0 451.592 4.934 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001545848672 1067200453 /nfs/dbraw/zinc/20/04/53/1067200453.db2.gz DRVIMOXNDDUHTG-YUSVDLJSSA-N 1 0 496.700 4.523 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001545848851 1067201698 /nfs/dbraw/zinc/20/16/98/1067201698.db2.gz GZSBIKDBOGMMMK-LGVFNWMJSA-N 1 0 466.674 4.658 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001545849136 1067202184 /nfs/dbraw/zinc/20/21/84/1067202184.db2.gz KZIKLMKXXSVQCA-BWKNWUBXSA-N 1 0 480.701 4.734 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(Cl)cc(I)c2)cc1 ZINC001452025584 1067204218 /nfs/dbraw/zinc/20/42/18/1067204218.db2.gz FFSXVKHCWWUCKF-UHFFFAOYSA-N 1 0 456.755 4.716 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545849949 1067204671 /nfs/dbraw/zinc/20/46/71/1067204671.db2.gz XAUYDSPBKYTWPH-TYBLODHISA-N 1 0 480.701 4.516 20 0 JJADRO COc1cccc(CN(CC[NH+](C)C)C(=O)CCc2cc(Cl)ccc2Br)c1 ZINC001458959974 1067209465 /nfs/dbraw/zinc/20/94/65/1067209465.db2.gz QKCKHFGWTUJOPZ-UHFFFAOYSA-N 1 0 453.808 4.634 20 0 JJADRO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001452173021 1067212200 /nfs/dbraw/zinc/21/22/00/1067212200.db2.gz BHJCFLGKHMEIBX-GCJKJVERSA-N 1 0 451.954 4.569 20 0 JJADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001458970697 1067213281 /nfs/dbraw/zinc/21/32/81/1067213281.db2.gz CXHMRCYAHRIOQH-JOCHJYFZSA-N 1 0 452.501 4.778 20 0 JJADRO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001458975571 1067214796 /nfs/dbraw/zinc/21/47/96/1067214796.db2.gz TUKDRMPVRRSHEN-RUZDIDTESA-N 1 0 452.639 4.859 20 0 JJADRO CC1CC[NH+](CCSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)CC1 ZINC001458998318 1067224875 /nfs/dbraw/zinc/22/48/75/1067224875.db2.gz SHVFRLMHKFMFGW-UHFFFAOYSA-N 1 0 458.425 4.972 20 0 JJADRO O=C(NOCc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001546039122 1067226357 /nfs/dbraw/zinc/22/63/57/1067226357.db2.gz NAZOVSPKTNXQAG-XZOQPEGZSA-N 1 0 455.480 4.564 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)s2)cc1OC ZINC001459064385 1067242421 /nfs/dbraw/zinc/24/24/21/1067242421.db2.gz PWJAPLWOUIJZFK-OPAMFIHVSA-N 1 0 453.608 4.865 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)[NH+](C)C ZINC001459072376 1067244823 /nfs/dbraw/zinc/24/48/23/1067244823.db2.gz MSCCCUQEIGEGEG-FQNJNTOFSA-N 1 0 459.634 4.639 20 0 JJADRO COc1ccccc1Cn1cnc2cc(C(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)ccc21 ZINC001459072862 1067244913 /nfs/dbraw/zinc/24/49/13/1067244913.db2.gz NBZUIYNRXNRYOS-HRFSGMKKSA-N 1 0 456.590 4.823 20 0 JJADRO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001546043664 1067249545 /nfs/dbraw/zinc/24/95/45/1067249545.db2.gz ZUKJVXYZGJZBQU-CJRSTVEYSA-N 1 0 489.749 4.839 20 0 JJADRO O=C(OCc1ccccc1)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459116196 1067253445 /nfs/dbraw/zinc/25/34/45/1067253445.db2.gz UREMIZJFNYIAMI-RRPNLBNLSA-N 1 0 456.586 4.542 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546044645 1067254661 /nfs/dbraw/zinc/25/46/61/1067254661.db2.gz DLHLPEMFIQNGFS-UWUFEASWSA-N 1 0 476.065 4.950 20 0 JJADRO CC[N@H+](CCCNC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001452894240 1067260638 /nfs/dbraw/zinc/26/06/38/1067260638.db2.gz MIUAZMCQANVCPE-UHFFFAOYSA-N 1 0 457.659 4.683 20 0 JJADRO COc1ccc([C@H](CNC(=O)CSc2cc(C(F)(F)F)ccn2)[NH+]2CCCCC2)cc1 ZINC001459187283 1067268618 /nfs/dbraw/zinc/26/86/18/1067268618.db2.gz OZKNRWLWEJXEEP-IBGZPJMESA-N 1 0 453.530 4.545 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC001452980644 1067270528 /nfs/dbraw/zinc/27/05/28/1067270528.db2.gz YMEJVWGOLWNKSG-YKSBVNFPSA-N 1 0 451.611 4.661 20 0 JJADRO C[N@H+](Cc1ccc2nc(NC(=O)c3coc(CNC(=O)OC(C)(C)C)c3)sc2c1)C1CC1 ZINC001453112565 1067279185 /nfs/dbraw/zinc/27/91/85/1067279185.db2.gz RUTDUFCIXVSSGU-UHFFFAOYSA-N 1 0 456.568 4.761 20 0 JJADRO CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CCC[C@]3(C)[C@@H]2CC1 ZINC001453118624 1067280414 /nfs/dbraw/zinc/28/04/14/1067280414.db2.gz BXLBVHRNJPEWFP-WKWYISCVSA-N 1 0 457.703 4.600 20 0 JJADRO CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[NH+](CC(C)C)CC2)O1 ZINC001546047848 1067281890 /nfs/dbraw/zinc/28/18/90/1067281890.db2.gz FDJOTFQMDPZKTA-CPJSRVTESA-N 1 0 476.065 4.733 20 0 JJADRO COc1cccc(C[NH+]2CCC(NC(=O)C(C)(C)c3csc(-c4cccs4)n3)CC2)c1 ZINC001453150107 1067283829 /nfs/dbraw/zinc/28/38/29/1067283829.db2.gz YGZXKMMJKBNLQI-UHFFFAOYSA-N 1 0 455.649 4.939 20 0 JJADRO CCN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)[C@H]1CC[N@H+](CC)C1 ZINC001453178789 1067287429 /nfs/dbraw/zinc/28/74/29/1067287429.db2.gz PEXUVBZFEYLUMM-FQEVSTJZSA-N 1 0 457.500 4.509 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001459316863 1067292764 /nfs/dbraw/zinc/29/27/64/1067292764.db2.gz UZPRUSICTQNPMJ-IBGZPJMESA-N 1 0 451.792 4.752 20 0 JJADRO C[C@@H](C(=O)N(C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001453273277 1067292893 /nfs/dbraw/zinc/29/28/93/1067292893.db2.gz YAAJLBQXZTVKPW-KRWDZBQOSA-N 1 0 458.528 4.883 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001453342408 1067299507 /nfs/dbraw/zinc/29/95/07/1067299507.db2.gz UXSFYEWKDYHFMW-HNNXBMFYSA-N 1 0 450.366 4.554 20 0 JJADRO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CC[NH+](C(C)(C)C)CC1 ZINC001459348236 1067300196 /nfs/dbraw/zinc/30/01/96/1067300196.db2.gz PWDLMNINBACMSU-UHFFFAOYSA-N 1 0 457.640 4.563 20 0 JJADRO Cc1cc(C)c(-c2csc(NC(=O)CN3CC[NH+](CCc4cccs4)CC3)n2)c(C)c1 ZINC001459350178 1067300424 /nfs/dbraw/zinc/30/04/24/1067300424.db2.gz PPBOJGRAPWPSTQ-UHFFFAOYSA-N 1 0 454.665 4.596 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)cc2)C1 ZINC001453394971 1067303181 /nfs/dbraw/zinc/30/31/81/1067303181.db2.gz GBLDHGUMHTWALG-DHIUTWEWSA-N 1 0 457.615 4.731 20 0 JJADRO CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1OCC ZINC001453395386 1067303456 /nfs/dbraw/zinc/30/34/56/1067303456.db2.gz HAZZRSKKHXXMJJ-FQEVSTJZSA-N 1 0 452.595 4.565 20 0 JJADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(Cc3ccccc3)Cc3ccccc3F)CC2)cc1 ZINC001459361525 1067303459 /nfs/dbraw/zinc/30/34/59/1067303459.db2.gz HHJRXRFQLYDUNF-UHFFFAOYSA-N 1 0 459.609 4.871 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001453490771 1067308778 /nfs/dbraw/zinc/30/87/78/1067308778.db2.gz CSDCYDQGYORASY-DEOSSOPVSA-N 1 0 451.611 4.797 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001453502475 1067309856 /nfs/dbraw/zinc/30/98/56/1067309856.db2.gz XERZLYDLTAUXRO-QHCPKHFHSA-N 1 0 455.643 4.678 20 0 JJADRO CC(C)[C@H]1CN(C(=O)Cn2c3ccccc3nc2SC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001453498380 1067310085 /nfs/dbraw/zinc/31/00/85/1067310085.db2.gz SVNCYKFYAUVAJW-OAQYLSRUSA-N 1 0 458.578 4.720 20 0 JJADRO COCc1ccccc1CNC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001459392049 1067311407 /nfs/dbraw/zinc/31/14/07/1067311407.db2.gz LBRVZVJNASGKDB-JXALWOEJSA-N 1 0 452.595 4.505 20 0 JJADRO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001459394908 1067312628 /nfs/dbraw/zinc/31/26/28/1067312628.db2.gz ZVSXOSJWKZXBKY-JPYJTQIMSA-N 1 0 452.599 4.673 20 0 JJADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CCc1cccc2ccccc21 ZINC001459396670 1067313386 /nfs/dbraw/zinc/31/33/86/1067313386.db2.gz STNTYRMUCGSZRL-MRXNPFEDSA-N 1 0 458.343 4.946 20 0 JJADRO Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN(C)C3CC[NH+](C(C)C)CC3)nc21 ZINC001459413334 1067317347 /nfs/dbraw/zinc/31/73/47/1067317347.db2.gz MZABHWWORFPVLI-UHFFFAOYSA-N 1 0 450.652 4.943 20 0 JJADRO CC(C)OCC[C@@H](O)C[NH+]1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001459422732 1067320955 /nfs/dbraw/zinc/32/09/55/1067320955.db2.gz JPRFYDURNYBMRY-HSZRJFAPSA-N 1 0 451.438 4.876 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546108785 1067322968 /nfs/dbraw/zinc/32/29/68/1067322968.db2.gz KWFVEVCGEQSDID-WOJBJXKFSA-N 1 0 475.628 4.663 20 0 JJADRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001453739667 1067325705 /nfs/dbraw/zinc/32/57/05/1067325705.db2.gz OKDFQUZWNJSASQ-HSZRJFAPSA-N 1 0 454.412 4.842 20 0 JJADRO CN(CC1CC[NH+](CCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1)C(=O)OC(C)(C)C ZINC001459449049 1067325973 /nfs/dbraw/zinc/32/59/73/1067325973.db2.gz MVAHTYBMZHKBKA-UHFFFAOYSA-N 1 0 453.668 4.993 20 0 JJADRO C[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459473904 1067334426 /nfs/dbraw/zinc/33/44/26/1067334426.db2.gz HCXQWSYNQAUNST-TWOQFEAHSA-N 1 0 463.418 4.559 20 0 JJADRO C[N@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459484891 1067336670 /nfs/dbraw/zinc/33/66/70/1067336670.db2.gz JKFGXYFCFAVWGO-RIFZZMRRSA-N 1 0 463.418 4.559 20 0 JJADRO C[N@H+](CCN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1)Cc1ccccc1 ZINC001459526193 1067344467 /nfs/dbraw/zinc/34/44/67/1067344467.db2.gz XVRQQECLKLELCU-NRFANRHFSA-N 1 0 455.400 4.692 20 0 JJADRO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001459529086 1067345862 /nfs/dbraw/zinc/34/58/62/1067345862.db2.gz RUMGXVXVFHPEAI-QGZVFWFLSA-N 1 0 454.412 4.641 20 0 JJADRO O=C(c1ccccc1F)N(CC(F)(F)F)C1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC001459530339 1067346266 /nfs/dbraw/zinc/34/62/66/1067346266.db2.gz PGGUYXGOKAKHFT-FQEVSTJZSA-N 1 0 458.883 4.682 20 0 JJADRO O=C(CC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)Nc1ccc(Br)cc1F ZINC001459535297 1067346939 /nfs/dbraw/zinc/34/69/39/1067346939.db2.gz ASDNCBONUCFXNE-HNNXBMFYSA-N 1 0 451.311 4.651 20 0 JJADRO O=C(CC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)Nc1ccc(Br)cc1F ZINC001459535302 1067347272 /nfs/dbraw/zinc/34/72/72/1067347272.db2.gz ASDNCBONUCFXNE-OAHLLOKOSA-N 1 0 451.311 4.651 20 0 JJADRO CCC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001459574300 1067355247 /nfs/dbraw/zinc/35/52/47/1067355247.db2.gz DWHRILHEANXWSS-DQEYMECFSA-N 1 0 457.659 4.692 20 0 JJADRO C[N@H+](C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCSc2ccc(Br)cc21 ZINC001459580462 1067356271 /nfs/dbraw/zinc/35/62/71/1067356271.db2.gz DMBJAIZLIJIKAV-DOTOQJQBSA-N 1 0 457.434 4.554 20 0 JJADRO C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001459584158 1067357407 /nfs/dbraw/zinc/35/74/07/1067357407.db2.gz QVSPVBOXVWSITA-UHFFFAOYSA-N 1 0 454.493 4.622 20 0 JJADRO Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC001459596683 1067359880 /nfs/dbraw/zinc/35/98/80/1067359880.db2.gz WJQASECIVXTJDZ-UHFFFAOYSA-N 1 0 452.002 4.864 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546110466 1067362743 /nfs/dbraw/zinc/36/27/43/1067362743.db2.gz AJGUNULLUICKNY-RTBURBONSA-N 1 0 474.719 4.538 20 0 JJADRO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F ZINC001459611790 1067363768 /nfs/dbraw/zinc/36/37/68/1067363768.db2.gz YHYUYFBBTVGMRJ-HKUYNNGSSA-N 1 0 458.521 4.891 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)C[C@@H]1C ZINC001459613034 1067364352 /nfs/dbraw/zinc/36/43/52/1067364352.db2.gz JJBCXRGUPHPFFY-UPVQGACJSA-N 1 0 459.638 4.899 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001546110562 1067366306 /nfs/dbraw/zinc/36/63/06/1067366306.db2.gz DNZAXDHZIHKFMG-HSZRJFAPSA-N 1 0 450.606 4.722 20 0 JJADRO Cc1ccc(CCC2CCN(C(=O)CN3CC[NH+](C4CCC(C(C)C)CC4)CC3)CC2)cc1 ZINC001459621219 1067366425 /nfs/dbraw/zinc/36/64/25/1067366425.db2.gz NWKFQOLXTPQIIA-UHFFFAOYSA-N 1 0 453.715 4.999 20 0 JJADRO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1 ZINC001459628482 1067368318 /nfs/dbraw/zinc/36/83/18/1067368318.db2.gz GSWQTQJRMARAIA-IRLDBZIGSA-N 1 0 457.574 4.839 20 0 JJADRO CN(C[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C ZINC001459634004 1067369288 /nfs/dbraw/zinc/36/92/88/1067369288.db2.gz DZDQYUOEARPEKU-NRFANRHFSA-N 1 0 459.631 4.811 20 0 JJADRO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459668484 1067377381 /nfs/dbraw/zinc/37/73/81/1067377381.db2.gz HIEAUNUXGBUZQT-BGWNEDDSSA-N 1 0 454.611 4.558 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001459668476 1067377489 /nfs/dbraw/zinc/37/74/89/1067377489.db2.gz HFUBJRNMRLICNO-REWPJTCUSA-N 1 0 451.659 4.793 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001459685118 1067382990 /nfs/dbraw/zinc/38/29/90/1067382990.db2.gz KSCGQEXEAFYWRX-XRXFAXGQSA-N 1 0 451.652 4.743 20 0 JJADRO Cc1ccc(CN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687411 1067383873 /nfs/dbraw/zinc/38/38/73/1067383873.db2.gz PUQMHQVPYDKXRA-RPWUZVMVSA-N 1 0 455.643 4.740 20 0 JJADRO CC[C@@H](C)[N@H+](CCC(=O)Nc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459690859 1067385006 /nfs/dbraw/zinc/38/50/06/1067385006.db2.gz ALWJKQLDBKPTQK-OAHLLOKOSA-N 1 0 457.372 4.727 20 0 JJADRO O=C(C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)Nc1cc(F)ccc1F ZINC001459692333 1067385415 /nfs/dbraw/zinc/38/54/15/1067385415.db2.gz AYFHYXFCPFMOIZ-UHFFFAOYSA-N 1 0 452.501 4.778 20 0 JJADRO CCCCNC(=O)C1([NH2+]CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CCCCC1 ZINC001459702228 1067388328 /nfs/dbraw/zinc/38/83/28/1067388328.db2.gz LHRKNOVDQMVLAV-RUZDIDTESA-N 1 0 453.602 4.582 20 0 JJADRO COc1ccc(NC(=O)C2([NH2+]Cc3cccc(OCC(F)(F)F)c3)CCCC2)cc1OC ZINC001459706097 1067389433 /nfs/dbraw/zinc/38/94/33/1067389433.db2.gz HRYQUGDKQAFBHO-UHFFFAOYSA-N 1 0 452.473 4.686 20 0 JJADRO Cc1cccc(C[N@H+](Cc2ccccn2)C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)c1 ZINC001459707479 1067389929 /nfs/dbraw/zinc/38/99/29/1067389929.db2.gz ORXWJJFZXUTRRR-NDEPHWFRSA-N 1 0 459.590 4.556 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC001459707632 1067390222 /nfs/dbraw/zinc/39/02/22/1067390222.db2.gz QLTBPCKCBFBADA-UHFFFAOYSA-N 1 0 455.400 4.801 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001459710093 1067391389 /nfs/dbraw/zinc/39/13/89/1067391389.db2.gz XYJNJZCWYGUURN-AZSVPQILSA-N 1 0 457.659 4.879 20 0 JJADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001459711881 1067392132 /nfs/dbraw/zinc/39/21/32/1067392132.db2.gz YYLAIJYDTZTHID-HNNXBMFYSA-N 1 0 454.514 4.639 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC001459724844 1067396777 /nfs/dbraw/zinc/39/67/77/1067396777.db2.gz ZBOIRNSUQKUVPT-CMCWBKRRSA-N 1 0 457.659 4.756 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC001459724849 1067396808 /nfs/dbraw/zinc/39/68/08/1067396808.db2.gz ZBOIRNSUQKUVPT-VKDGWMQASA-N 1 0 457.659 4.756 20 0 JJADRO C[N@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)N1CCc2sccc2C1 ZINC001459734768 1067399266 /nfs/dbraw/zinc/39/92/66/1067399266.db2.gz NLPROQXVFGXBOW-UHFFFAOYSA-N 1 0 454.615 4.897 20 0 JJADRO COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)CCC2)c1 ZINC001459740307 1067400838 /nfs/dbraw/zinc/40/08/38/1067400838.db2.gz GVKZFBFSNRGJPF-HXUWFJFHSA-N 1 0 458.002 4.781 20 0 JJADRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC001459746782 1067404497 /nfs/dbraw/zinc/40/44/97/1067404497.db2.gz ISZFNXFQFPGXAM-UHFFFAOYSA-N 1 0 455.599 4.556 20 0 JJADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(OC)ncc2Br)[C@H]2CCCC[C@H]12 ZINC001459758288 1067409860 /nfs/dbraw/zinc/40/98/60/1067409860.db2.gz YBXVDAKBOUOTCS-BHSWOKAISA-N 1 0 452.437 4.537 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[N@H+](Cc3ccccc3)CC3(O)CCCC3)C2)CC1 ZINC001459757872 1067409916 /nfs/dbraw/zinc/40/99/16/1067409916.db2.gz ANLSKMMQYVLXKD-HSZRJFAPSA-N 1 0 458.643 4.600 20 0 JJADRO CCn1c(C[NH2+][C@H](c2ccccc2)C2CCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001459770793 1067415082 /nfs/dbraw/zinc/41/50/82/1067415082.db2.gz QPVBBAXBSJWSTL-RUZDIDTESA-N 1 0 454.640 4.718 20 0 JJADRO CN(CCC1CC[NH+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)CC1)C(=O)OC(C)(C)C ZINC001459774916 1067416767 /nfs/dbraw/zinc/41/67/67/1067416767.db2.gz QMPMAOZVMFGVOZ-UHFFFAOYSA-N 1 0 459.675 4.612 20 0 JJADRO CCN(CCOC)c1cccc(C[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC001459782414 1067419528 /nfs/dbraw/zinc/41/95/28/1067419528.db2.gz YTDVZSJNGDHNSA-OAQYLSRUSA-N 1 0 455.647 4.830 20 0 JJADRO CCCCc1ccc([C@H]([NH2+]CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C(C)C)cc1 ZINC001459783671 1067420434 /nfs/dbraw/zinc/42/04/34/1067420434.db2.gz FALKWBSLEGBOTM-WXVAWEFUSA-N 1 0 455.687 4.813 20 0 JJADRO CCC[C@H]1CN(CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)CC[N@@H+]1CCOC ZINC001459783565 1067420458 /nfs/dbraw/zinc/42/04/58/1067420458.db2.gz CMSIJBIOOJPNDP-QHCPKHFHSA-N 1 0 455.668 4.826 20 0 JJADRO CCC[C@@H]1CN(Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC001459786299 1067421634 /nfs/dbraw/zinc/42/16/34/1067421634.db2.gz PFWGPKKHKFXFNB-HXUWFJFHSA-N 1 0 454.640 4.613 20 0 JJADRO CCC[N@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459790489 1067424011 /nfs/dbraw/zinc/42/40/11/1067424011.db2.gz DZGSRZUQZBAXRH-UHFFFAOYSA-N 1 0 458.002 4.694 20 0 JJADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c1 ZINC001459795041 1067427052 /nfs/dbraw/zinc/42/70/52/1067427052.db2.gz FFNJFOJRKRWEFQ-KCWPFWIISA-N 1 0 451.994 4.724 20 0 JJADRO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c1 ZINC001459795048 1067427107 /nfs/dbraw/zinc/42/71/07/1067427107.db2.gz FFNJFOJRKRWEFQ-WNCULLNHSA-N 1 0 451.994 4.724 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001546112041 1067434026 /nfs/dbraw/zinc/43/40/26/1067434026.db2.gz AJKKFBWDFYOFNB-DEOSSOPVSA-N 1 0 483.701 4.991 20 0 JJADRO CCC[C@@H]1CN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459815853 1067435390 /nfs/dbraw/zinc/43/53/90/1067435390.db2.gz UUVYWFDPORNZII-ISKFKSNPSA-N 1 0 457.565 4.770 20 0 JJADRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC001459816588 1067436088 /nfs/dbraw/zinc/43/60/88/1067436088.db2.gz HOWZQOMBCKWLOY-HXUWFJFHSA-N 1 0 454.430 4.999 20 0 JJADRO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H](COc1c(C)cccc1C)c1ccccc1 ZINC001459817611 1067436540 /nfs/dbraw/zinc/43/65/40/1067436540.db2.gz MSABXXLSOZFJPB-HSZRJFAPSA-N 1 0 452.982 4.992 20 0 JJADRO COc1ccc(-c2nc(NC(=O)C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)sc2C)cc1 ZINC001459818442 1067437191 /nfs/dbraw/zinc/43/71/91/1067437191.db2.gz RTJGWFYMHSAPCO-AVRDEDQJSA-N 1 0 451.592 4.823 20 0 JJADRO CCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC001459828943 1067442512 /nfs/dbraw/zinc/44/25/12/1067442512.db2.gz TXLDNBXXGXDXLD-ZWKOTPCHSA-N 1 0 451.592 4.999 20 0 JJADRO COc1ccc(NC(=O)C[N@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)c(OC)c1 ZINC001459831387 1067444282 /nfs/dbraw/zinc/44/42/82/1067444282.db2.gz CRRDNYPFJXCVGQ-GCJKJVERSA-N 1 0 456.583 4.740 20 0 JJADRO COc1ccc(NC(=O)C[N@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)c(OC)c1 ZINC001459831396 1067444331 /nfs/dbraw/zinc/44/43/31/1067444331.db2.gz CRRDNYPFJXCVGQ-XMSQKQJNSA-N 1 0 456.583 4.740 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[NH2+][C@@H](COc3ccccc3F)C(C)(C)C)C2)C1 ZINC001459842166 1067449058 /nfs/dbraw/zinc/44/90/58/1067449058.db2.gz ZBLSNKKITKOEAL-DHTSOJEISA-N 1 0 450.595 4.625 20 0 JJADRO C[N@H+](C[C@@H](O)CN[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br)C1CC1 ZINC001459842188 1067449142 /nfs/dbraw/zinc/44/91/42/1067449142.db2.gz FUBANWLUGOTIPN-YCRPNKLZSA-N 1 0 455.799 4.570 20 0 JJADRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1-c1ccc(Cl)cc1 ZINC001459845133 1067451174 /nfs/dbraw/zinc/45/11/74/1067451174.db2.gz QWJSVSUXJLWXMS-AWEZNQCLSA-N 1 0 453.995 4.945 20 0 JJADRO COc1cc([C@H](C)[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)ccc1OCCC(C)C ZINC001459846605 1067452067 /nfs/dbraw/zinc/45/20/67/1067452067.db2.gz YPPBNCLBXLOUPM-UQBPGWFLSA-N 1 0 450.620 4.533 20 0 JJADRO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850118 1067455186 /nfs/dbraw/zinc/45/51/86/1067455186.db2.gz ZTPNSZYRONBTRT-HRAATJIYSA-N 1 0 451.945 4.545 20 0 JJADRO C[C@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC001459850795 1067455632 /nfs/dbraw/zinc/45/56/32/1067455632.db2.gz LMYKHSXQFYUWAR-HOTGVXAUSA-N 1 0 459.468 4.906 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)c(Br)c1 ZINC001459851647 1067456798 /nfs/dbraw/zinc/45/67/98/1067456798.db2.gz RIYHANXNCZQEBO-RQJHMYQMSA-N 1 0 455.196 4.962 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(Br)cc3)n2CC[NH+]2CCCC2)C1 ZINC001546112274 1067457217 /nfs/dbraw/zinc/45/72/17/1067457217.db2.gz KPQZSZANSWTUJF-UHFFFAOYSA-N 1 0 476.463 4.732 20 0 JJADRO COc1cc([C@H](C)[NH2+][C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)ccc1OC(C)C ZINC001459853552 1067457742 /nfs/dbraw/zinc/45/77/42/1067457742.db2.gz PFBWPCOSXMXHSA-GERBCZOESA-N 1 0 456.583 4.990 20 0 JJADRO COc1cc([C@H](C)[NH2+][C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)ccc1OC(C)C ZINC001459853554 1067458281 /nfs/dbraw/zinc/45/82/81/1067458281.db2.gz PFBWPCOSXMXHSA-REIDKSKDSA-N 1 0 456.583 4.990 20 0 JJADRO C[C@@H]([NH2+]CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1)C1CCOCC1 ZINC001459853883 1067458365 /nfs/dbraw/zinc/45/83/65/1067458365.db2.gz UODMPMRDOXMQFI-GOSISDBHSA-N 1 0 453.583 4.887 20 0 JJADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001459857502 1067459960 /nfs/dbraw/zinc/45/99/60/1067459960.db2.gz HWUZTVBKDJNRFK-MRXNPFEDSA-N 1 0 452.942 4.675 20 0 JJADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(Br)c2)cc1 ZINC001459863798 1067462527 /nfs/dbraw/zinc/46/25/27/1067462527.db2.gz KTWHSAAHAAUUCH-CQSZACIVSA-N 1 0 459.837 4.984 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459865752 1067463668 /nfs/dbraw/zinc/46/36/68/1067463668.db2.gz YROVUKJTIHHNLX-CABCVRRESA-N 1 0 450.377 4.839 20 0 JJADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC001459868912 1067465718 /nfs/dbraw/zinc/46/57/18/1067465718.db2.gz QUZWUEDETYCYDM-QGZVFWFLSA-N 1 0 451.954 4.694 20 0 JJADRO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC001459869839 1067466297 /nfs/dbraw/zinc/46/62/97/1067466297.db2.gz MQSVYGILOLWFOH-YLJYHZDGSA-N 1 0 459.468 4.909 20 0 JJADRO COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459871316 1067467859 /nfs/dbraw/zinc/46/78/59/1067467859.db2.gz REVYSOUHTAZJPY-HSALFYBXSA-N 1 0 453.501 4.730 20 0 JJADRO O=C(C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)NCCc1nc2ccccc2s1 ZINC001459875128 1067468931 /nfs/dbraw/zinc/46/89/31/1067468931.db2.gz HECRLFFEHCSZNR-JOCHJYFZSA-N 1 0 451.542 4.807 20 0 JJADRO CCC[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC001459877986 1067470374 /nfs/dbraw/zinc/47/03/74/1067470374.db2.gz OAUTTXANXXFTPC-KRWDZBQOSA-N 1 0 452.338 4.544 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1nc2c(cccc2Br)s1 ZINC001459879003 1067470810 /nfs/dbraw/zinc/47/08/10/1067470810.db2.gz FPPCBFFZLQYYEO-UHFFFAOYSA-N 1 0 459.413 4.600 20 0 JJADRO CC(C)c1ccc([C@H]2CCCC[N@@H+]2CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC001459887376 1067473632 /nfs/dbraw/zinc/47/36/32/1067473632.db2.gz ATSCQASYTPYEEZ-AREMUKBSSA-N 1 0 453.671 4.978 20 0 JJADRO CC[C@H]1C[N@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459893116 1067476270 /nfs/dbraw/zinc/47/62/70/1067476270.db2.gz UAHNTHFMQKRCQN-XUZZJYLKSA-N 1 0 457.659 4.926 20 0 JJADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CC(=O)N(C)c1nccs1 ZINC001459899564 1067479320 /nfs/dbraw/zinc/47/93/20/1067479320.db2.gz ULSLGHODSLWCGR-NSHDSACASA-N 1 0 451.415 4.651 20 0 JJADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459909864 1067485186 /nfs/dbraw/zinc/48/51/86/1067485186.db2.gz ZFODAYAIGLMAAO-PKOBYXMFSA-N 1 0 452.599 4.646 20 0 JJADRO COc1ccc(NC(=O)c2c(NC(=O)C[NH2+][C@@H]3CCCC[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459916014 1067488911 /nfs/dbraw/zinc/48/89/11/1067488911.db2.gz UTPPXZBTYIFVEG-OXJNMPFZSA-N 1 0 455.624 4.995 20 0 JJADRO COC(=O)Nc1cccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)c1 ZINC001459941421 1067500616 /nfs/dbraw/zinc/50/06/16/1067500616.db2.gz OMUZVFCCNXPNFE-IZZNHLLZSA-N 1 0 457.574 4.705 20 0 JJADRO CC(C)N1C(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459954311 1067505804 /nfs/dbraw/zinc/50/58/04/1067505804.db2.gz YVVSOHHNZQNRKI-NQZBTDCJSA-N 1 0 452.357 4.800 20 0 JJADRO CC(C)N1C(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459954305 1067505909 /nfs/dbraw/zinc/50/59/09/1067505909.db2.gz YVVSOHHNZQNRKI-DRWCTHJISA-N 1 0 452.357 4.800 20 0 JJADRO CCN(CC)c1nc2sc(C(=O)NCc3ccc(OC4CC[NH+](C)CC4)cc3)cc2s1 ZINC001459956562 1067506665 /nfs/dbraw/zinc/50/66/65/1067506665.db2.gz BLYPSNNELJQBKD-UHFFFAOYSA-N 1 0 458.653 4.607 20 0 JJADRO COc1ccc(C(NC(=O)C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC001459958174 1067507034 /nfs/dbraw/zinc/50/70/34/1067507034.db2.gz AWDDDZSKDMYDQS-IGKIAQTJSA-N 1 0 458.602 4.910 20 0 JJADRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001459957891 1067507241 /nfs/dbraw/zinc/50/72/41/1067507241.db2.gz GMWLJVQFWDXEBI-QGZVFWFLSA-N 1 0 450.501 4.553 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001459961877 1067508836 /nfs/dbraw/zinc/50/88/36/1067508836.db2.gz JACOQZIEPFMHSB-AZGAKELHSA-N 1 0 455.602 4.865 20 0 JJADRO CC[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1cc(F)cc(Br)c1 ZINC001459963446 1067509307 /nfs/dbraw/zinc/50/93/07/1067509307.db2.gz OZWLSKGPNPGDIH-MRXNPFEDSA-N 1 0 450.377 4.598 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3csc(Cc4ccc(Cl)cc4)n3)cc2)CC1 ZINC001459967805 1067510424 /nfs/dbraw/zinc/51/04/24/1067510424.db2.gz YSQKKDQAALDODI-UHFFFAOYSA-N 1 0 456.011 4.790 20 0 JJADRO CCOc1ccc(CCCC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OCC ZINC001459977024 1067512930 /nfs/dbraw/zinc/51/29/30/1067512930.db2.gz GSZWNOLFAVWGJF-NDEPHWFRSA-N 1 0 450.623 4.931 20 0 JJADRO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459990746 1067517529 /nfs/dbraw/zinc/51/75/29/1067517529.db2.gz DIEGMIBKCVTCSY-LAJNKCICSA-N 1 0 455.318 4.655 20 0 JJADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001459991998 1067518085 /nfs/dbraw/zinc/51/80/85/1067518085.db2.gz FASGZZVZCVNVMW-FOIQADDNSA-N 1 0 456.414 4.504 20 0 JJADRO CCOC(=O)N1CCC([C@H](C)[NH2+]CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)CC1 ZINC001459996579 1067519772 /nfs/dbraw/zinc/51/97/72/1067519772.db2.gz LVVMZVQOELBCEW-SFHVURJKSA-N 1 0 458.628 4.520 20 0 JJADRO CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C(C)(C)C1(C)C ZINC001546113178 1067521935 /nfs/dbraw/zinc/52/19/35/1067521935.db2.gz RHTMCHZALKUYEF-FDFHNCONSA-N 1 0 454.655 4.797 20 0 JJADRO CC(C)[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(C(C)(C)C)cc1 ZINC001460008060 1067525281 /nfs/dbraw/zinc/52/52/81/1067525281.db2.gz SLGXVEDYOUBOBY-SANMLTNESA-N 1 0 455.687 4.912 20 0 JJADRO COc1cc(OC)cc(C2(F)CC[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC2)c1 ZINC001460013718 1067527196 /nfs/dbraw/zinc/52/71/96/1067527196.db2.gz BIDWNUGTGDJTNW-UHFFFAOYSA-N 1 0 452.526 4.688 20 0 JJADRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460018861 1067530141 /nfs/dbraw/zinc/53/01/41/1067530141.db2.gz KLMHRPMAIJLLHK-CLOONOSVSA-N 1 0 455.624 4.612 20 0 JJADRO CCC[N@H+](CCOc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC001460020129 1067531168 /nfs/dbraw/zinc/53/11/68/1067531168.db2.gz UMFQPHDZNRWCLJ-KRWDZBQOSA-N 1 0 459.805 4.585 20 0 JJADRO C[C@@H]1CCc2c(sc3nc(C[NH2+][C@H]4CCN(C(=O)OC(C)(C)C)CC4(C)C)nc(N)c32)C1 ZINC001460024526 1067532376 /nfs/dbraw/zinc/53/23/76/1067532376.db2.gz XAMLXLBOBVSQLO-PBHICJAKSA-N 1 0 459.660 4.524 20 0 JJADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C3CCCC3)cs2)c1 ZINC001460030494 1067533922 /nfs/dbraw/zinc/53/39/22/1067533922.db2.gz NCGXEBRFLKMOEM-HXUWFJFHSA-N 1 0 459.612 4.770 20 0 JJADRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042105 1067536919 /nfs/dbraw/zinc/53/69/19/1067536919.db2.gz RDYPNKHCKMNTLC-CDIGIKMISA-N 1 0 453.652 4.964 20 0 JJADRO C[C@H](NC(=O)C[NH2+][C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccc(Cl)cc1Cl ZINC001460062317 1067542860 /nfs/dbraw/zinc/54/28/60/1067542860.db2.gz OYYVDVVALIOLIP-VPCSNGCSSA-N 1 0 458.430 4.794 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001460063175 1067542958 /nfs/dbraw/zinc/54/29/58/1067542958.db2.gz SGHWDYRFGBENJU-RNHFSVANSA-N 1 0 451.611 4.840 20 0 JJADRO Cc1cc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c(C)cc1I ZINC001460066066 1067544053 /nfs/dbraw/zinc/54/40/53/1067544053.db2.gz RAIKBFLBDSZPOZ-FUHWJXTLSA-N 1 0 453.389 4.909 20 0 JJADRO FC(F)(F)c1ccc(C[C@]2([NH2+]Cc3cc4c(cc3Br)OCO4)CCOC2)cc1 ZINC001460068469 1067545067 /nfs/dbraw/zinc/54/50/67/1067545067.db2.gz IDYIJHOSAZPKHM-LJQANCHMSA-N 1 0 458.274 4.688 20 0 JJADRO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC001460072666 1067546484 /nfs/dbraw/zinc/54/64/84/1067546484.db2.gz CCDYQBWTSOUUQI-HSZRJFAPSA-N 1 0 453.970 4.716 20 0 JJADRO CCOc1cccc(/C=C\C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)c1 ZINC001460096369 1067553940 /nfs/dbraw/zinc/55/39/40/1067553940.db2.gz RJZGCVLLGOCEEI-NLZINVLXSA-N 1 0 458.400 4.640 20 0 JJADRO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 ZINC001460098636 1067554918 /nfs/dbraw/zinc/55/49/18/1067554918.db2.gz JHQUTUIHLANSRZ-QHCPKHFHSA-N 1 0 457.500 4.668 20 0 JJADRO CCC1(CC)CN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC[NH+](C)C)c2)CCS1 ZINC001546113938 1067557743 /nfs/dbraw/zinc/55/77/43/1067557743.db2.gz PDONZVXXECRROH-UHFFFAOYSA-N 1 0 459.704 4.676 20 0 JJADRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccc(Cl)cc1 ZINC001460113642 1067557899 /nfs/dbraw/zinc/55/78/99/1067557899.db2.gz VJNCQFUCXFVLPB-RTWAWAEBSA-N 1 0 454.920 4.807 20 0 JJADRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccc(Cl)cc1 ZINC001460113640 1067557958 /nfs/dbraw/zinc/55/79/58/1067557958.db2.gz VJNCQFUCXFVLPB-NHCUHLMSSA-N 1 0 454.920 4.807 20 0 JJADRO C[C@H](NC(=O)C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001460130113 1067560882 /nfs/dbraw/zinc/56/08/82/1067560882.db2.gz ZVGBXNZPUIEQMC-ORYQWCPZSA-N 1 0 450.501 4.736 20 0 JJADRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC001460130962 1067561309 /nfs/dbraw/zinc/56/13/09/1067561309.db2.gz LKBVHQGQAZJMBZ-UHFFFAOYSA-N 1 0 458.558 4.697 20 0 JJADRO O=C1[C@@H]([NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)CCN1c1ccc(F)c(Cl)c1 ZINC001460135418 1067561958 /nfs/dbraw/zinc/56/19/58/1067561958.db2.gz AFKNGRBATFEVDR-FQEVSTJZSA-N 1 0 455.332 4.758 20 0 JJADRO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1 ZINC001460149074 1067565277 /nfs/dbraw/zinc/56/52/77/1067565277.db2.gz SRWHBARQYXUYNV-CYFREDJKSA-N 1 0 450.558 4.815 20 0 JJADRO O=C(C[N@H+](Cc1ccccc1)C1(CO)CCCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001460156233 1067566332 /nfs/dbraw/zinc/56/63/32/1067566332.db2.gz AWWCNFVVGVCSLB-UHFFFAOYSA-N 1 0 457.546 4.834 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155689 1067566440 /nfs/dbraw/zinc/56/64/40/1067566440.db2.gz AWHHSHIFNXPCNC-IRXDYDNUSA-N 1 0 453.986 4.777 20 0 JJADRO Cc1ccc2nc(-c3ccc(NC(=O)CN(CC[NH+](C)C)Cc4ccccn4)cc3)sc2c1 ZINC001460157281 1067566858 /nfs/dbraw/zinc/56/68/58/1067566858.db2.gz KBKZMWOAQYSJKC-UHFFFAOYSA-N 1 0 459.619 4.669 20 0 JJADRO COC(=O)c1cc2cc(C[N@H+](CCc3ccc(Cl)cc3)C[C@@H](O)C(F)(F)F)ccc2o1 ZINC001460174428 1067570598 /nfs/dbraw/zinc/57/05/98/1067570598.db2.gz IYVAPGDADNKGGM-HXUWFJFHSA-N 1 0 455.860 4.841 20 0 JJADRO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC001460178373 1067571802 /nfs/dbraw/zinc/57/18/02/1067571802.db2.gz DMKGRJWRIHTIJU-DEOSSOPVSA-N 1 0 452.396 4.723 20 0 JJADRO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC001460178379 1067571850 /nfs/dbraw/zinc/57/18/50/1067571850.db2.gz DMKGRJWRIHTIJU-XMMPIXPASA-N 1 0 452.396 4.723 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1 ZINC001460177659 1067571931 /nfs/dbraw/zinc/57/19/31/1067571931.db2.gz IUKMIGXUEYNXJM-MZURWIMNSA-N 1 0 471.642 4.707 20 0 JJADRO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCN(Cc1ccccc1)S(C)(=O)=O ZINC001460182259 1067573072 /nfs/dbraw/zinc/57/30/72/1067573072.db2.gz WBKQEHHVLYWHLO-NRFANRHFSA-N 1 0 456.574 4.714 20 0 JJADRO CC(=O)N(c1nc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)cs1)c1cccc(C(F)(F)F)c1 ZINC001460181512 1067573092 /nfs/dbraw/zinc/57/30/92/1067573092.db2.gz MSPRSMFLWYADHT-HNNXBMFYSA-N 1 0 452.546 4.763 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@H](CN[C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184440 1067573820 /nfs/dbraw/zinc/57/38/20/1067573820.db2.gz XVJXWNVQCBCEPW-ZCYQVOJMSA-N 1 0 453.424 4.988 20 0 JJADRO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccccc1 ZINC001460189154 1067574920 /nfs/dbraw/zinc/57/49/20/1067574920.db2.gz XEIVRDNWPVQUBY-OAQYLSRUSA-N 1 0 455.603 4.573 20 0 JJADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3ccc(Sc4cc(C)ccc4C)cc3)[C@H]2C1 ZINC001460198155 1067576977 /nfs/dbraw/zinc/57/69/77/1067576977.db2.gz VTUAXFSBDGJKHC-NKKJXINNSA-N 1 0 451.636 4.630 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001460215870 1067581349 /nfs/dbraw/zinc/58/13/49/1067581349.db2.gz RKOGKNGTNCMZNI-OXJNMPFZSA-N 1 0 453.986 4.919 20 0 JJADRO O=C(CC[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1)Nc1ccccc1Br ZINC001460223278 1067583569 /nfs/dbraw/zinc/58/35/69/1067583569.db2.gz HRYVOHUZDBWODR-OAQYLSRUSA-N 1 0 453.327 4.502 20 0 JJADRO CN(CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001460231611 1067585429 /nfs/dbraw/zinc/58/54/29/1067585429.db2.gz ZPXYOBKEHCCQEG-JOCHJYFZSA-N 1 0 453.593 4.996 20 0 JJADRO CC1(C)CN(C(=O)c2ccc(N=S(C)(C)=O)cc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460233293 1067586179 /nfs/dbraw/zinc/58/61/79/1067586179.db2.gz ZCHJXMAELRXYCQ-DEOSSOPVSA-N 1 0 453.652 4.809 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)C1 ZINC001460238959 1067588323 /nfs/dbraw/zinc/58/83/23/1067588323.db2.gz JNSLCIYSSVKORY-REWPJTCUSA-N 1 0 459.562 4.765 20 0 JJADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC001460239908 1067588544 /nfs/dbraw/zinc/58/85/44/1067588544.db2.gz HQBMOVGSNUDFEB-HSZRJFAPSA-N 1 0 456.652 4.685 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1(C)C ZINC001460240014 1067588692 /nfs/dbraw/zinc/58/86/92/1067588692.db2.gz MLYUPXCTTUUXMU-AWEZNQCLSA-N 1 0 450.794 4.963 20 0 JJADRO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC001460252719 1067591989 /nfs/dbraw/zinc/59/19/89/1067591989.db2.gz TWPBCMTZBYHPLX-AWEZNQCLSA-N 1 0 450.988 4.731 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CCC1 ZINC001460256269 1067592264 /nfs/dbraw/zinc/59/22/64/1067592264.db2.gz OBWFLKASSIGISM-QFIPXVFZSA-N 1 0 455.643 4.585 20 0 JJADRO Brc1ccccc1C[C@H]1CCC[N@@H+]1CCCCCn1nnc(-c2ccccc2)n1 ZINC001460271285 1067594894 /nfs/dbraw/zinc/59/48/94/1067594894.db2.gz SDVXJNZHIASXHA-OAQYLSRUSA-N 1 0 454.416 4.980 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)C[C@H]1c1ccc(Br)cc1 ZINC001460279982 1067597045 /nfs/dbraw/zinc/59/70/45/1067597045.db2.gz WEXCCXHVPWBNOC-VQTJNVASSA-N 1 0 461.787 4.946 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[N@@H+]3CCC[C@H](O)[C@H]3CCc3ccccc3)cccc2C1 ZINC001460295325 1067600621 /nfs/dbraw/zinc/60/06/21/1067600621.db2.gz KNFXNIHHKJOEBJ-FTJBHMTQSA-N 1 0 450.623 4.938 20 0 JJADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)[C@@H]1SC ZINC001460297955 1067600937 /nfs/dbraw/zinc/60/09/37/1067600937.db2.gz ZYQXQCKLQWOBPT-OASJLCFRSA-N 1 0 478.662 4.902 20 0 JJADRO COc1cc(NC(=O)CC[NH2+]C2(CC(=O)OC(C)(C)C)CCCCC2)c(OC)cc1Cl ZINC001460308167 1067604190 /nfs/dbraw/zinc/60/41/90/1067604190.db2.gz GTNPGUCFINZTOI-UHFFFAOYSA-N 1 0 454.995 4.710 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001460315476 1067605839 /nfs/dbraw/zinc/60/58/39/1067605839.db2.gz YQOUVQJQFMGEFP-LOSJGSFVSA-N 1 0 462.977 4.762 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC001460317100 1067606261 /nfs/dbraw/zinc/60/62/61/1067606261.db2.gz JIPJYCDCNULWTC-YFVAEKQCSA-N 1 0 456.986 4.785 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317539 1067606393 /nfs/dbraw/zinc/60/63/93/1067606393.db2.gz LQGMPGSYHFWYAO-CZAAIQMYSA-N 1 0 456.986 4.785 20 0 JJADRO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001460325018 1067608513 /nfs/dbraw/zinc/60/85/13/1067608513.db2.gz FOLIYTIPTJAPHK-TZYHBYERSA-N 1 0 451.611 4.886 20 0 JJADRO CC(C)c1n[nH]c(CC2CC[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC2)n1 ZINC001460331921 1067609944 /nfs/dbraw/zinc/60/99/44/1067609944.db2.gz HMMFKWDHNUPVFD-XMMPIXPASA-N 1 0 451.640 4.540 20 0 JJADRO CC(C)c1ccc(CN2CCN(C(=O)C[N@@H+]3CCc4ccc(Cl)cc4[C@@H](C)C3)CC2)cc1 ZINC001460335573 1067611014 /nfs/dbraw/zinc/61/10/14/1067611014.db2.gz HFZALTGLQREITP-NRFANRHFSA-N 1 0 454.058 4.769 20 0 JJADRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460338343 1067611379 /nfs/dbraw/zinc/61/13/79/1067611379.db2.gz MGJAYJKLFPHYRH-MGPUTAFESA-N 1 0 451.430 4.926 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460341865 1067612351 /nfs/dbraw/zinc/61/23/51/1067612351.db2.gz IESJFFBPTFYUSZ-OFNKIYASSA-N 1 0 451.611 4.660 20 0 JJADRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001460356854 1067616483 /nfs/dbraw/zinc/61/64/83/1067616483.db2.gz RWUMKSZJGQEJKU-GOTSBHOMSA-N 1 0 458.606 4.611 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)C12CCCC2 ZINC001460360633 1067618319 /nfs/dbraw/zinc/61/83/19/1067618319.db2.gz DCRSSYMDCQGLMT-HXUWFJFHSA-N 1 0 451.007 4.956 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362405 1067618653 /nfs/dbraw/zinc/61/86/53/1067618653.db2.gz OWSONFACWFNPFA-LOSJGSFVSA-N 1 0 452.645 4.805 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC001460366875 1067619333 /nfs/dbraw/zinc/61/93/33/1067619333.db2.gz MPAJIZHOILJCKR-ILZDJORESA-N 1 0 456.599 4.841 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C12CCCC2 ZINC001460369975 1067620552 /nfs/dbraw/zinc/62/05/52/1067620552.db2.gz SVASZTRLFFQMFC-PMACEKPBSA-N 1 0 451.652 4.935 20 0 JJADRO O=C(N1C[C@H]([NH2+]CCOc2ccc(Oc3ccccc3)cc2)Cc2ccccc21)C(F)(F)F ZINC001460376561 1067621653 /nfs/dbraw/zinc/62/16/53/1067621653.db2.gz WEOPAEMZVBEGRV-LJQANCHMSA-N 1 0 456.464 4.968 20 0 JJADRO O=C(N1C[C@@H]([NH2+]CCOc2ccc(Oc3ccccc3)cc2)Cc2ccccc21)C(F)(F)F ZINC001460376558 1067621709 /nfs/dbraw/zinc/62/17/09/1067621709.db2.gz WEOPAEMZVBEGRV-IBGZPJMESA-N 1 0 456.464 4.968 20 0 JJADRO O=C(N1C[C@H]([NH2+]Cc2nc(-c3c(F)cccc3F)cs2)Cc2ccccc21)C(F)(F)F ZINC001460376638 1067621726 /nfs/dbraw/zinc/62/17/26/1067621726.db2.gz WTJPZKARVOGNOG-CYBMUJFWSA-N 1 0 453.436 4.698 20 0 JJADRO COC(=O)c1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c(C)s1 ZINC001460390252 1067624444 /nfs/dbraw/zinc/62/44/44/1067624444.db2.gz MOFMIHSCLQLWQA-WOJBJXKFSA-N 1 0 462.587 4.865 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@@H](O)c2cccc(C)c2)cc1 ZINC001460391270 1067624959 /nfs/dbraw/zinc/62/49/59/1067624959.db2.gz POTOLBHHTIKXHR-CCDWMCETSA-N 1 0 454.611 4.810 20 0 JJADRO CC(C)(C)OC(=O)CCC1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC001460391862 1067624961 /nfs/dbraw/zinc/62/49/61/1067624961.db2.gz SEZBPZQNXDKCNU-UHFFFAOYSA-N 1 0 454.405 4.944 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)cc1 ZINC001460392974 1067625254 /nfs/dbraw/zinc/62/52/54/1067625254.db2.gz UVAIRKJQEVPCMO-LJYZBVLISA-N 1 0 454.611 4.542 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+][C@@H](C)C(=O)Nc2ccccc2)cc1F ZINC001460393566 1067625301 /nfs/dbraw/zinc/62/53/01/1067625301.db2.gz QWUQVUCRFOLNQJ-XJABCFGWSA-N 1 0 471.573 4.544 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC001460393598 1067625777 /nfs/dbraw/zinc/62/57/77/1067625777.db2.gz VQVUCFWDUPHVEZ-ZEQRLZLVSA-N 1 0 454.615 4.501 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C2(c3ccc(Br)cc3)CCCCC2)C1 ZINC001460408651 1067629168 /nfs/dbraw/zinc/62/91/68/1067629168.db2.gz JFMDNXKCOJLYST-IBGZPJMESA-N 1 0 453.421 4.834 20 0 JJADRO O=C(C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1)NCC1(c2ccc(F)cc2)CCCC1 ZINC001460411601 1067629613 /nfs/dbraw/zinc/62/96/13/1067629613.db2.gz RDPQCJMYNVKJGJ-AREMUKBSSA-N 1 0 459.005 4.789 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC001546116200 1067632155 /nfs/dbraw/zinc/63/21/55/1067632155.db2.gz LFLOFSZRQWJKAB-OAQYLSRUSA-N 1 0 488.105 4.747 20 0 JJADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(Cl)cc1Cl ZINC001460478673 1067641714 /nfs/dbraw/zinc/64/17/14/1067641714.db2.gz BJVBGRDQYOVQGG-KBXCAEBGSA-N 1 0 456.414 4.692 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC[N@H+](C)C(C)C)CCS1 ZINC001546116562 1067642255 /nfs/dbraw/zinc/64/22/55/1067642255.db2.gz ZYNBSXPENICGJU-UHFFFAOYSA-N 1 0 481.714 4.973 20 0 JJADRO CCOC(=O)c1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)sc2c1CCCC2 ZINC001460482114 1067642776 /nfs/dbraw/zinc/64/27/76/1067642776.db2.gz SLAYXNWBJGLWNT-JKSUJKDBSA-N 1 0 456.608 4.806 20 0 JJADRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CCC(Oc4cccc(F)c4)CC3)ccc2c1 ZINC001460490850 1067644872 /nfs/dbraw/zinc/64/48/72/1067644872.db2.gz OTJJNORKFVVVFY-LJQANCHMSA-N 1 0 450.554 4.878 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2cc([C@@H]3CCC[N@H+](CC4CCC(C)(C)CC4)C3)[nH]n2)CC1 ZINC001460502456 1067645833 /nfs/dbraw/zinc/64/58/33/1067645833.db2.gz FVIMKCNDXJTGPR-OAQYLSRUSA-N 1 0 459.679 4.863 20 0 JJADRO COc1cc(OC)c(C2CC[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1 ZINC001460517009 1067647553 /nfs/dbraw/zinc/64/75/53/1067647553.db2.gz ZVPKKMWJOFCART-IBGZPJMESA-N 1 0 453.501 4.514 20 0 JJADRO CC(C)[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)[C@H](O)c1ccc(Cl)cc1 ZINC001460525514 1067650180 /nfs/dbraw/zinc/65/01/80/1067650180.db2.gz JUJUPCSDSOVPOI-HSALFYBXSA-N 1 0 451.792 4.704 20 0 JJADRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC001460526036 1067650208 /nfs/dbraw/zinc/65/02/08/1067650208.db2.gz MEJIFXJTMDFAKO-WQTXXOFMSA-N 1 0 453.410 4.567 20 0 JJADRO CCc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)[NH+](CC)CC)cc1 ZINC001460556382 1067655127 /nfs/dbraw/zinc/65/51/27/1067655127.db2.gz ODRCGCPADJXDEG-QPPBQGQZSA-N 1 0 453.652 4.523 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)[NH+](CC)CC)cc1 ZINC001460556406 1067655920 /nfs/dbraw/zinc/65/59/20/1067655920.db2.gz ODRCGCPADJXDEG-ZJSXRUAMSA-N 1 0 453.652 4.523 20 0 JJADRO Cc1ccccc1[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001460562968 1067656463 /nfs/dbraw/zinc/65/64/63/1067656463.db2.gz XKCDQKBDXZYYBU-HXUWFJFHSA-N 1 0 457.640 4.580 20 0 JJADRO CO[C@@H](C[NH+]1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 ZINC001460569215 1067657616 /nfs/dbraw/zinc/65/76/16/1067657616.db2.gz RLDDTOGOIJZKIJ-YADHBBJMSA-N 1 0 453.023 4.766 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C1 ZINC001460566625 1067657676 /nfs/dbraw/zinc/65/76/76/1067657676.db2.gz LAEQQGHVYSJMTI-NSISKUIASA-N 1 0 453.421 4.594 20 0 JJADRO CCC1(CC)CN(c2nnc(CC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)CCS1 ZINC001546117340 1067658733 /nfs/dbraw/zinc/65/87/33/1067658733.db2.gz CZJCCTKCSKJLCO-UHFFFAOYSA-N 1 0 456.704 4.900 20 0 JJADRO CCC1(CC)CN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCS1 ZINC001546117398 1067659736 /nfs/dbraw/zinc/65/97/36/1067659736.db2.gz FGWKCOPTHGGVPC-PCCBWWKXSA-N 1 0 463.736 4.651 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccc(Br)cc1F ZINC001460581705 1067661231 /nfs/dbraw/zinc/66/12/31/1067661231.db2.gz TZCGCECQQMUZRZ-UHFFFAOYSA-N 1 0 459.363 4.851 20 0 JJADRO Cc1cc(CC(C)(C)NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)ccc1Br ZINC001460587624 1067663175 /nfs/dbraw/zinc/66/31/75/1067663175.db2.gz WJVLXYWQZFYQFJ-UKTHLTGXSA-N 1 0 459.428 4.849 20 0 JJADRO CC[C@](C)([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1 ZINC001460598586 1067666039 /nfs/dbraw/zinc/66/60/39/1067666039.db2.gz NQNCSLKBKAKOFN-QFIPXVFZSA-N 1 0 453.480 4.535 20 0 JJADRO Cc1cc(NC(=O)CN2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)ccc1Br ZINC001460644457 1067684146 /nfs/dbraw/zinc/68/41/46/1067684146.db2.gz TXRNRXVBOALNHW-DNQXCXABSA-N 1 0 456.428 4.540 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647533 1067685294 /nfs/dbraw/zinc/68/52/94/1067685294.db2.gz ACEYUVUWDQNDRO-JYFHCDHNSA-N 1 0 458.549 4.743 20 0 JJADRO O=C(CC[NH+]1CCC(NC(=O)OCc2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC001460655113 1067689274 /nfs/dbraw/zinc/68/92/74/1067689274.db2.gz HTDHODMJIATUTK-UHFFFAOYSA-N 1 0 450.366 4.713 20 0 JJADRO Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654865 1067689296 /nfs/dbraw/zinc/68/92/96/1067689296.db2.gz GYKMFBWMVDVSQL-DLBZAZTESA-N 1 0 455.546 4.979 20 0 JJADRO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001460659422 1067691352 /nfs/dbraw/zinc/69/13/52/1067691352.db2.gz HQPXIRFDOREJIS-BKMJKUGQSA-N 1 0 451.588 4.623 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC001460674760 1067696624 /nfs/dbraw/zinc/69/66/24/1067696624.db2.gz FCFBFSLWCKWLMQ-PGRDOPGGSA-N 1 0 455.437 4.745 20 0 JJADRO O=C(Cc1csc(Cc2ccc(F)cc2)n1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001460678208 1067698088 /nfs/dbraw/zinc/69/80/88/1067698088.db2.gz AWMRMJHOALKKED-JOCHJYFZSA-N 1 0 451.611 4.834 20 0 JJADRO Cc1ccc([C@H]2CC[N@H+](CC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697443 1067703642 /nfs/dbraw/zinc/70/36/42/1067703642.db2.gz OZUKFHUQKZHWMT-NQIIRXRSSA-N 1 0 459.512 4.869 20 0 JJADRO COC(=O)c1coc(/C=C\C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001460730147 1067711216 /nfs/dbraw/zinc/71/12/16/1067711216.db2.gz UQFFSTPNLRYDMZ-OKFWSBNLSA-N 1 0 450.579 4.763 20 0 JJADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC001460739944 1067712859 /nfs/dbraw/zinc/71/28/59/1067712859.db2.gz CCNUEWCHHASASI-MRXNPFEDSA-N 1 0 456.425 4.793 20 0 JJADRO O=C1[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)CCN1c1ccc(C(F)(F)F)cc1 ZINC001460746339 1067714579 /nfs/dbraw/zinc/71/45/79/1067714579.db2.gz AIRVKTWBBUXFPJ-IAGOWNOFSA-N 1 0 455.274 4.687 20 0 JJADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001460773074 1067720542 /nfs/dbraw/zinc/72/05/42/1067720542.db2.gz RZKMIELRUCHLAL-UHFFFAOYSA-N 1 0 453.299 4.873 20 0 JJADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC001460773834 1067721113 /nfs/dbraw/zinc/72/11/13/1067721113.db2.gz VMYWNJZJQIPXAD-UHFFFAOYSA-N 1 0 450.539 4.808 20 0 JJADRO Cc1ccc(CN(C(=O)C[N@@H+]2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C2CC2)cc1 ZINC001460778269 1067721591 /nfs/dbraw/zinc/72/15/91/1067721591.db2.gz NYGCPOMJNXSUEA-HHHXNRCGSA-N 1 0 455.643 4.599 20 0 JJADRO COC(=O)[C@@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001460779609 1067722086 /nfs/dbraw/zinc/72/20/86/1067722086.db2.gz ITCUBSBEJXBQQP-QRVBRYPASA-N 1 0 460.418 4.572 20 0 JJADRO O=[S@](CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC001460782757 1067722468 /nfs/dbraw/zinc/72/24/68/1067722468.db2.gz YWYRXTHZPXICCN-PCNYRWPCSA-N 1 0 465.368 4.754 20 0 JJADRO Cc1cc(Cl)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Br ZINC001460780844 1067722490 /nfs/dbraw/zinc/72/24/90/1067722490.db2.gz DZICGSISHGPRER-HZPDHXFCSA-N 1 0 453.812 4.597 20 0 JJADRO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](CC)c1cccc2ccccc21 ZINC001460792005 1067724023 /nfs/dbraw/zinc/72/40/23/1067724023.db2.gz HZRBYJCZFDOQKP-DEOSSOPVSA-N 1 0 456.546 4.882 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]([NH2+][C@@H](CC)CO)c1ccccc1 ZINC001460797008 1067725421 /nfs/dbraw/zinc/72/54/21/1067725421.db2.gz ZGHZOQAUQMIVCM-SIKLNZKXSA-N 1 0 452.576 4.632 20 0 JJADRO C[N@@H+](Cc1cc(F)ccc1Oc1ccc(Br)cc1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC001460800025 1067726595 /nfs/dbraw/zinc/72/65/95/1067726595.db2.gz HEXYYFSZPSVWMR-KNQAVFIVSA-N 1 0 452.364 4.724 20 0 JJADRO OC[C@H]([NH2+]Cc1ccc(I)c(Cl)c1)c1ccccc1C(F)(F)F ZINC001460840301 1067732827 /nfs/dbraw/zinc/73/28/27/1067732827.db2.gz YDMXUSMGYGIKCD-HNNXBMFYSA-N 1 0 455.645 4.787 20 0 JJADRO CC(C)(C)OC(=O)NCC1([C@@H]2CCCC[N@@H+]2Cc2cccc(CN3CCOCC3)c2)CCC1 ZINC001460851432 1067734687 /nfs/dbraw/zinc/73/46/87/1067734687.db2.gz VEAZFDXEWCTNPT-DEOSSOPVSA-N 1 0 457.659 4.568 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCS1 ZINC001546119565 1067734714 /nfs/dbraw/zinc/73/47/14/1067734714.db2.gz HWFCSIQGPWVMSR-QFIPXVFZSA-N 1 0 470.731 4.744 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC001460857236 1067735418 /nfs/dbraw/zinc/73/54/18/1067735418.db2.gz XCYIKJFVXBTWQY-MRXNPFEDSA-N 1 0 457.537 4.761 20 0 JJADRO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460879688 1067740731 /nfs/dbraw/zinc/74/07/31/1067740731.db2.gz AEWUMQCTSJCBFE-KCZVDYSFSA-N 1 0 467.610 4.685 20 0 JJADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460884589 1067742258 /nfs/dbraw/zinc/74/22/58/1067742258.db2.gz ZKVXEMOPIFXAAP-SJLPKXTDSA-N 1 0 455.437 4.873 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)[NH+](C)C)CCS1 ZINC001546119932 1067743029 /nfs/dbraw/zinc/74/30/29/1067743029.db2.gz VOIPMMDWTABYMX-QHCPKHFHSA-N 1 0 464.683 4.679 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)[NH+](C)C)CCS1 ZINC001546119931 1067743123 /nfs/dbraw/zinc/74/31/23/1067743123.db2.gz VOIPMMDWTABYMX-HSZRJFAPSA-N 1 0 464.683 4.679 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CCS1 ZINC001546119942 1067743463 /nfs/dbraw/zinc/74/34/63/1067743463.db2.gz VYUCPBJWNFVYRI-DEOSSOPVSA-N 1 0 494.709 4.687 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001460944227 1067751870 /nfs/dbraw/zinc/75/18/70/1067751870.db2.gz FMBIWZXDAJVWLK-VWLOTQADSA-N 1 0 451.652 4.889 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001460944226 1067751979 /nfs/dbraw/zinc/75/19/79/1067751979.db2.gz FMBIWZXDAJVWLK-RUZDIDTESA-N 1 0 451.652 4.889 20 0 JJADRO COCC[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c2ccccc21 ZINC001460949026 1067752249 /nfs/dbraw/zinc/75/22/49/1067752249.db2.gz GZUAKOFTHQCRRR-NLFFAJNJSA-N 1 0 456.030 4.624 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@@H]1CCCC2 ZINC001460970052 1067754677 /nfs/dbraw/zinc/75/46/77/1067754677.db2.gz GOKZMVCGFOAKRL-NYHFZMIOSA-N 1 0 456.414 4.949 20 0 JJADRO Cc1sc2nc(C[NH+]3CCC4(CCC[C@@H]4CNC(=O)OC(C)(C)C)CC3)nc(N)c2c1C ZINC001460972888 1067755202 /nfs/dbraw/zinc/75/52/02/1067755202.db2.gz BYXXGNZPRZFKHH-QGZVFWFLSA-N 1 0 459.660 4.797 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(OCc3ccc(Br)cc3)CC2)C1 ZINC001460976377 1067755693 /nfs/dbraw/zinc/75/56/93/1067755693.db2.gz SMZYHWNYTQCMBX-GOSISDBHSA-N 1 0 453.421 4.687 20 0 JJADRO COc1ccccc1[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1)N1CCCC1 ZINC001461000066 1067760628 /nfs/dbraw/zinc/76/06/28/1067760628.db2.gz GJIWLZWLWUCDTP-NRFANRHFSA-N 1 0 455.400 4.775 20 0 JJADRO CCOc1c(Br)cc(C[NH2+]C[C@H]2COc3ccccc3C2)cc1Br ZINC001461005996 1067761220 /nfs/dbraw/zinc/76/12/20/1067761220.db2.gz PUKOVEXOELBPMR-AWEZNQCLSA-N 1 0 455.190 4.951 20 0 JJADRO CSc1ccc(Oc2ccc(F)cc2C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC001461008005 1067761575 /nfs/dbraw/zinc/76/15/75/1067761575.db2.gz VXCFKLDJUKYPNS-UHFFFAOYSA-N 1 0 457.571 4.684 20 0 JJADRO COc1ccc([C@H](C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)N2CCCCC2)cc1 ZINC001461014112 1067762297 /nfs/dbraw/zinc/76/22/97/1067762297.db2.gz PKEZTJUJOKICDN-SANMLTNESA-N 1 0 451.611 4.613 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC001461019468 1067762974 /nfs/dbraw/zinc/76/29/74/1067762974.db2.gz QEQQVMLCPZAOLY-UHFFFAOYSA-N 1 0 453.384 4.972 20 0 JJADRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2cc(Br)cc(Br)c2)cc1 ZINC001461019569 1067763032 /nfs/dbraw/zinc/76/30/32/1067763032.db2.gz PAGFUULYIDOGSS-UHFFFAOYSA-N 1 0 454.206 4.983 20 0 JJADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC001461027454 1067764777 /nfs/dbraw/zinc/76/47/77/1067764777.db2.gz MOMJGOMZOBDHAW-UHFFFAOYSA-N 1 0 450.366 4.988 20 0 JJADRO COc1cc(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)ccc1OCC(F)(F)F ZINC001461030631 1067765559 /nfs/dbraw/zinc/76/55/59/1067765559.db2.gz KEOIBQKOQABAKA-UHFFFAOYSA-N 1 0 458.278 4.645 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)CCS1 ZINC001546120964 1067765888 /nfs/dbraw/zinc/76/58/88/1067765888.db2.gz GDCYKAJQHGLAGM-UHFFFAOYSA-N 1 0 475.678 4.984 20 0 JJADRO C[C@@H]1CN([C@H](C[NH2+]Cc2c(F)cccc2Br)c2c(F)cccc2Cl)CCO1 ZINC001461050622 1067769971 /nfs/dbraw/zinc/76/99/71/1067769971.db2.gz LVIYVQREYRULPH-BFUOFWGJSA-N 1 0 459.762 4.932 20 0 JJADRO COc1c(Br)cc(C[NH2+]CCOc2ccc3c(c2)CCC3)cc1Br ZINC001461087015 1067779100 /nfs/dbraw/zinc/77/91/00/1067779100.db2.gz HQCYNCFDCCNTQV-UHFFFAOYSA-N 1 0 455.190 4.878 20 0 JJADRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)N2CCOCC2)cc1 ZINC001461086902 1067779220 /nfs/dbraw/zinc/77/92/20/1067779220.db2.gz ZEQCPAMCUOXUPZ-HXUWFJFHSA-N 1 0 457.334 4.939 20 0 JJADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001461090109 1067779909 /nfs/dbraw/zinc/77/99/09/1067779909.db2.gz WMWMAPBNOFHXLG-KNQAVFIVSA-N 1 0 459.631 4.710 20 0 JJADRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)c(OCc2cccnc2)c1 ZINC001461089094 1067779977 /nfs/dbraw/zinc/77/99/77/1067779977.db2.gz NRCIRWHULBWRGH-UHFFFAOYSA-N 1 0 454.530 4.606 20 0 JJADRO Cc1cc(Br)c(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1Cl ZINC001461096135 1067781394 /nfs/dbraw/zinc/78/13/94/1067781394.db2.gz HSXRJMCADDAFJZ-UHFFFAOYSA-N 1 0 452.776 4.978 20 0 JJADRO CC(C)N(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461116398 1067784437 /nfs/dbraw/zinc/78/44/37/1067784437.db2.gz RWXQSNFLPJFTJR-HXUWFJFHSA-N 1 0 458.484 4.881 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]C[C@H]3CCN(c4ccc(F)c(F)c4)C3)cccc2C1 ZINC001461119106 1067784840 /nfs/dbraw/zinc/78/48/40/1067784840.db2.gz CKUXJEOINNOGDU-GOSISDBHSA-N 1 0 457.565 4.874 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001461122692 1067785668 /nfs/dbraw/zinc/78/56/68/1067785668.db2.gz ULMVIBSSBICBFS-NRFANRHFSA-N 1 0 453.428 4.945 20 0 JJADRO CCOCCOc1ccc(Br)cc1CNC1CC[NH+](CC2CCCCC2)CC1 ZINC001461132875 1067787556 /nfs/dbraw/zinc/78/75/56/1067787556.db2.gz SCWRKNJRFMSWJS-UHFFFAOYSA-N 1 0 453.465 4.999 20 0 JJADRO CC[C@H](C)[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146110 1067789026 /nfs/dbraw/zinc/78/90/26/1067789026.db2.gz AUTBRPKNVJAXSS-XDHUDOTRSA-N 1 0 450.558 4.823 20 0 JJADRO CC[C@@H](C)[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146103 1067789196 /nfs/dbraw/zinc/78/91/96/1067789196.db2.gz AUTBRPKNVJAXSS-OSPHWJPCSA-N 1 0 450.558 4.823 20 0 JJADRO C[C@@H]([NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001461151356 1067789914 /nfs/dbraw/zinc/78/99/14/1067789914.db2.gz UQUWHAFVPWEJNO-ZRKSWWEUSA-N 1 0 450.604 4.880 20 0 JJADRO C[C@H]([NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001461151343 1067789982 /nfs/dbraw/zinc/78/99/82/1067789982.db2.gz UQUWHAFVPWEJNO-MAIVGLDJSA-N 1 0 450.604 4.880 20 0 JJADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cc3cccc(C)c3nc2Cl)s1 ZINC001461162502 1067791307 /nfs/dbraw/zinc/79/13/07/1067791307.db2.gz TUDNDDRIWYFVJI-UHFFFAOYSA-N 1 0 452.045 4.621 20 0 JJADRO Cc1ccc(OCc2nc(C[NH2+]C[C@@H](c3cccc(Cl)c3)N3CCOCC3)cs2)cc1 ZINC001461171762 1067792434 /nfs/dbraw/zinc/79/24/34/1067792434.db2.gz CJKHGRPJBXIOGG-QHCPKHFHSA-N 1 0 458.027 4.847 20 0 JJADRO COc1cc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)ccc1OC(F)F ZINC001461177653 1067793497 /nfs/dbraw/zinc/79/34/97/1067793497.db2.gz LQBUEPRIXNUEDV-IBGZPJMESA-N 1 0 454.945 4.892 20 0 JJADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC001461193571 1067796789 /nfs/dbraw/zinc/79/67/89/1067796789.db2.gz CTJZKPPKJQNDKN-OAHLLOKOSA-N 1 0 457.185 4.692 20 0 JJADRO Cc1cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)ccc1Br ZINC001461197561 1067797574 /nfs/dbraw/zinc/79/75/74/1067797574.db2.gz XHKVCAVSSVGOIR-UHFFFAOYSA-N 1 0 454.206 4.658 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)C[C@H]2C1 ZINC001461201474 1067798313 /nfs/dbraw/zinc/79/83/13/1067798313.db2.gz GDTXESCKGZPHNB-ZULIPRJHSA-N 1 0 453.549 4.909 20 0 JJADRO Fc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2I)cc1 ZINC001461202211 1067798502 /nfs/dbraw/zinc/79/85/02/1067798502.db2.gz LEEDLZDFVREHQD-WFXMLNOXSA-N 1 0 450.339 4.736 20 0 JJADRO COc1ccc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)cc1OCc1cccnc1 ZINC001461204290 1067798595 /nfs/dbraw/zinc/79/85/95/1067798595.db2.gz GAFCVRPSRYWBCE-UHFFFAOYSA-N 1 0 450.926 4.705 20 0 JJADRO Cc1c(Br)cc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)cc1Br ZINC001461207092 1067799401 /nfs/dbraw/zinc/79/94/01/1067799401.db2.gz MXNABYOEWSTXFR-UHFFFAOYSA-N 1 0 458.238 4.791 20 0 JJADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC001461223365 1067802978 /nfs/dbraw/zinc/80/29/78/1067802978.db2.gz ANRVIPKYIPNHAZ-SJLPKXTDSA-N 1 0 455.407 4.691 20 0 JJADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC001461223363 1067803070 /nfs/dbraw/zinc/80/30/70/1067803070.db2.gz ANRVIPKYIPNHAZ-AEFFLSMTSA-N 1 0 455.407 4.691 20 0 JJADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCc2cccc(C(=O)NC)c2)cc1 ZINC001461233957 1067805861 /nfs/dbraw/zinc/80/58/61/1067805861.db2.gz VKVTVPHXODUVOQ-UHFFFAOYSA-N 1 0 452.602 4.853 20 0 JJADRO COc1cc(C[NH2+][C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc(OC)c1OCC(F)F ZINC001461237889 1067807073 /nfs/dbraw/zinc/80/70/73/1067807073.db2.gz FSJYGNWVLYCLSD-WLRWDXFRSA-N 1 0 450.309 4.866 20 0 JJADRO COc1cc(C[NH2+][C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc(OC)c1OCC(F)F ZINC001461237884 1067807097 /nfs/dbraw/zinc/80/70/97/1067807097.db2.gz FSJYGNWVLYCLSD-JEOXALJRSA-N 1 0 450.309 4.866 20 0 JJADRO C[C@@H]([NH2+]Cc1cccc(F)c1I)[C@H](O)c1c(Cl)cccc1Cl ZINC001461240087 1067807300 /nfs/dbraw/zinc/80/73/00/1067807300.db2.gz SQCFQXQXVBPJKJ-ABKXIKBNSA-N 1 0 454.110 4.949 20 0 JJADRO CN(C)c1ccc(N2CCC([NH2+]Cc3cc(OC(F)F)ccc3Br)CC2)cc1 ZINC001461242771 1067808103 /nfs/dbraw/zinc/80/81/03/1067808103.db2.gz RFRQJVSDFJPYBU-UHFFFAOYSA-N 1 0 454.359 4.875 20 0 JJADRO CC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@H](O)c1c(F)cccc1F ZINC001461258093 1067812434 /nfs/dbraw/zinc/81/24/34/1067812434.db2.gz PLBSMQUBWXDDJA-RXVVDRJESA-N 1 0 450.327 4.823 20 0 JJADRO C[C@H]1C[C@H](NCc2c(F)ccc(I)c2F)CC[N@@H+]1Cc1ccccc1 ZINC001461262407 1067813388 /nfs/dbraw/zinc/81/33/88/1067813388.db2.gz GZUUZYHNIHAHJJ-GOEBONIOSA-N 1 0 456.318 4.712 20 0 JJADRO CC(C)(C)C(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC001461269607 1067815007 /nfs/dbraw/zinc/81/50/07/1067815007.db2.gz WGKXVGUGYVVTMI-UHFFFAOYSA-N 1 0 455.400 4.554 20 0 JJADRO Cc1ccc(COc2ccc(C[NH2+]C[C@H](O)COc3ccccc3Br)cc2)cc1 ZINC001461282005 1067817621 /nfs/dbraw/zinc/81/76/21/1067817621.db2.gz ASQPQUFJKRGIBW-NRFANRHFSA-N 1 0 456.380 4.866 20 0 JJADRO COc1ncc(Br)cc1C[NH2+]Cc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001461288037 1067818895 /nfs/dbraw/zinc/81/88/95/1067818895.db2.gz YWNTUBNTYYDLLZ-CQSZACIVSA-N 1 0 450.377 4.728 20 0 JJADRO CC(C)c1[nH+]c(CNc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c2ccccn21 ZINC001461306986 1067824763 /nfs/dbraw/zinc/82/47/63/1067824763.db2.gz ITEJNJVIDNZIJM-UHFFFAOYSA-N 1 0 450.587 4.522 20 0 JJADRO OC[C@H](C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)Cc1ccccc1C(F)(F)F ZINC001461316884 1067826662 /nfs/dbraw/zinc/82/66/62/1067826662.db2.gz UIGSTWBFIFKLCI-INIZCTEOSA-N 1 0 457.418 4.851 20 0 JJADRO CSc1ccc(N2C[C@H](C(=O)Nc3ccc(SCC[NH+]4CCCC4)cc3)CC2=O)cc1 ZINC001461317675 1067827276 /nfs/dbraw/zinc/82/72/76/1067827276.db2.gz YKYDGCPDPGPOAJ-GOSISDBHSA-N 1 0 455.649 4.588 20 0 JJADRO COc1cc(CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OCC(F)F ZINC001461325204 1067828493 /nfs/dbraw/zinc/82/84/93/1067828493.db2.gz ZSCMGXZDXQUMMI-IRXDYDNUSA-N 1 0 450.526 4.569 20 0 JJADRO COc1cc(CNc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OCC(F)F ZINC001461325202 1067828510 /nfs/dbraw/zinc/82/85/10/1067828510.db2.gz ZSCMGXZDXQUMMI-CALCHBBNSA-N 1 0 450.526 4.569 20 0 JJADRO C[C@H]([NH2+]Cc1ccc(I)s1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001461360046 1067838172 /nfs/dbraw/zinc/83/81/72/1067838172.db2.gz UWNXYZKNECQKBF-IFXJQAMLSA-N 1 0 457.377 4.768 20 0 JJADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](C)[C@H](OC3CCOCC3)c3ccccc3)cnc12 ZINC001461360672 1067838450 /nfs/dbraw/zinc/83/84/50/1067838450.db2.gz WZYAFEIMYCXBAU-JTSKRJEESA-N 1 0 458.400 4.820 20 0 JJADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](C)[C@@H](OC3CCOCC3)c3ccccc3)cnc12 ZINC001461360668 1067838498 /nfs/dbraw/zinc/83/84/98/1067838498.db2.gz WZYAFEIMYCXBAU-HTAPYJJXSA-N 1 0 458.400 4.820 20 0 JJADRO Cn1cc(C[NH2+]CC2(c3ccc(C(C)(C)C)cc3)CCCC2)c(I)n1 ZINC001461373127 1067840709 /nfs/dbraw/zinc/84/07/09/1067840709.db2.gz DDNCKLBXRKNHMZ-UHFFFAOYSA-N 1 0 451.396 4.924 20 0 JJADRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc(Br)cc(Br)c2N)cc1 ZINC001461379959 1067842260 /nfs/dbraw/zinc/84/22/60/1067842260.db2.gz KWFNHNOIMPMKIS-BBATYDOGSA-N 1 0 458.194 4.668 20 0 JJADRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(Br)cc(Br)c2N)cc1 ZINC001461379963 1067842278 /nfs/dbraw/zinc/84/22/78/1067842278.db2.gz KWFNHNOIMPMKIS-ZMZPIMSZSA-N 1 0 458.194 4.668 20 0 JJADRO COc1cc(Br)c(C[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC001461380348 1067842443 /nfs/dbraw/zinc/84/24/43/1067842443.db2.gz RWJSXRZJFACKCS-UHFFFAOYSA-N 1 0 457.409 4.593 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001461403019 1067847181 /nfs/dbraw/zinc/84/71/81/1067847181.db2.gz PWFCBHKNSBIHLV-FQEVSTJZSA-N 1 0 452.755 4.867 20 0 JJADRO COc1ccc(C[C@@H](C)C[NH2+]Cc2cc(Cl)ccc2I)cc1OC ZINC001461405107 1067847526 /nfs/dbraw/zinc/84/75/26/1067847526.db2.gz HUGZGIUFRVGQGJ-CYBMUJFWSA-N 1 0 459.755 4.930 20 0 JJADRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc(Br)c1OC(F)F ZINC001461407425 1067848295 /nfs/dbraw/zinc/84/82/95/1067848295.db2.gz IUAZFTNHQUMTIC-GOSISDBHSA-N 1 0 450.707 4.710 20 0 JJADRO CCOc1cc(C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)ccc1OCC(=O)N1CCCCC1 ZINC001461412455 1067849516 /nfs/dbraw/zinc/84/95/16/1067849516.db2.gz VMECPPLJRNVMDD-LJQANCHMSA-N 1 0 456.631 4.587 20 0 JJADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cnc(-c4ccncc4)s3)C2=O)ccc1Br ZINC001461416142 1067850831 /nfs/dbraw/zinc/85/08/31/1067850831.db2.gz DYPXMMVJMUNLMB-IBGZPJMESA-N 1 0 457.397 4.561 20 0 JJADRO Cc1noc(C[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nc2C)c2ccccc2)n1 ZINC001461430850 1067854444 /nfs/dbraw/zinc/85/44/44/1067854444.db2.gz BIDSHISQDMDFKG-FQEVSTJZSA-N 1 0 452.356 4.708 20 0 JJADRO CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC001461435041 1067855950 /nfs/dbraw/zinc/85/59/50/1067855950.db2.gz VMSCUYAUAPASGA-QGZVFWFLSA-N 1 0 457.206 4.612 20 0 JJADRO CN(C)C(=O)COc1ccccc1C[NH2+][C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001461451734 1067859986 /nfs/dbraw/zinc/85/99/86/1067859986.db2.gz AXQIOWHOLCSYBC-JOCHJYFZSA-N 1 0 453.583 4.668 20 0 JJADRO CCOc1cc(C[NH2+]CC(C)(C)c2cccc(Cl)c2F)ccc1O[C@@H](C)C(=O)N(C)C ZINC001461455870 1067860940 /nfs/dbraw/zinc/86/09/40/1067860940.db2.gz FAULCZXBKLOIKN-INIZCTEOSA-N 1 0 450.982 4.801 20 0 JJADRO COC[C@H](C)Oc1ccc(C[NH2+][C@@H](C)CCc2ccc(I)cc2)cc1 ZINC001461459770 1067862206 /nfs/dbraw/zinc/86/22/06/1067862206.db2.gz JDAVXHXULMZXLP-IRXDYDNUSA-N 1 0 453.364 4.816 20 0 JJADRO Fc1cccc([C@H]2C[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3OCCN3CCOCC3)C2)c1 ZINC001461463066 1067862742 /nfs/dbraw/zinc/86/27/42/1067862742.db2.gz NLQKHCNPWCAHNA-CYWCHRQTSA-N 1 0 453.385 4.879 20 0 JJADRO COc1cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461465017 1067863034 /nfs/dbraw/zinc/86/30/34/1067863034.db2.gz QKMRQTBDCGLCTB-DHIUTWEWSA-N 1 0 455.639 4.923 20 0 JJADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001461464251 1067863232 /nfs/dbraw/zinc/86/32/32/1067863232.db2.gz PIHIFLJPHQEMMH-GPZRYRNASA-N 1 0 451.311 4.849 20 0 JJADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001461465600 1067863766 /nfs/dbraw/zinc/86/37/66/1067863766.db2.gz VWPVBAKQTVQNGI-MRXNPFEDSA-N 1 0 452.498 4.812 20 0 JJADRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CCN1C(=O)OC(C)(C)C ZINC001461476272 1067868463 /nfs/dbraw/zinc/86/84/63/1067868463.db2.gz XXNAHVSNQGDIPX-PGRDOPGGSA-N 1 0 459.631 4.857 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC001461478579 1067869641 /nfs/dbraw/zinc/86/96/41/1067869641.db2.gz DJAMRSBGFXGVAP-UHFFFAOYSA-N 1 0 451.394 4.678 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001461481867 1067871313 /nfs/dbraw/zinc/87/13/13/1067871313.db2.gz UITIPYLOAMWXRV-QHCPKHFHSA-N 1 0 456.030 4.563 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC001461483692 1067871689 /nfs/dbraw/zinc/87/16/89/1067871689.db2.gz ZTWYAZRODFTVFJ-HXUWFJFHSA-N 1 0 452.599 4.957 20 0 JJADRO Fc1ccc(Oc2ccc(F)cc2C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c(Cl)c1 ZINC001461489809 1067874095 /nfs/dbraw/zinc/87/40/95/1067874095.db2.gz ZUXQSCCZQBWJQF-LJQANCHMSA-N 1 0 450.835 4.763 20 0 JJADRO CC(C)(C[NH2+]Cc1ncc(Br)cc1Br)Oc1cc(F)cc(F)c1 ZINC001461493957 1067875559 /nfs/dbraw/zinc/87/55/59/1067875559.db2.gz KNZHIGHOASYKCC-UHFFFAOYSA-N 1 0 450.121 4.832 20 0 JJADRO C[C@](CO)([NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)c1ccc(Br)cc1 ZINC001461497109 1067876466 /nfs/dbraw/zinc/87/64/66/1067876466.db2.gz CFYFQZWWRVZXCM-GOSISDBHSA-N 1 0 456.153 4.829 20 0 JJADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC001461499609 1067876702 /nfs/dbraw/zinc/87/67/02/1067876702.db2.gz AHOMXZIZVGKHNJ-UHFFFAOYSA-N 1 0 459.615 4.854 20 0 JJADRO CCOc1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)ccc1OCc1c(Cl)cccc1Cl ZINC001461499632 1067876970 /nfs/dbraw/zinc/87/69/70/1067876970.db2.gz CDHDZRBSXFKBQY-INIZCTEOSA-N 1 0 458.407 4.638 20 0 JJADRO Cc1ccc(C(=O)N[C@H](CC(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)c2ccccc2)cc1 ZINC001461500882 1067877239 /nfs/dbraw/zinc/87/72/39/1067877239.db2.gz BSQDJRIPGODTDA-IZZNHLLZSA-N 1 0 455.602 4.766 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CCOc3ccc(Cl)c(F)c3)o2)C1 ZINC001461502877 1067877754 /nfs/dbraw/zinc/87/77/54/1067877754.db2.gz VNHFRBPWLPEYAS-MRXNPFEDSA-N 1 0 452.954 4.799 20 0 JJADRO OC1CCN(CC[NH2+]Cc2ccc(Br)cc2Oc2ccc(F)c(Cl)c2)CC1 ZINC001461508561 1067878838 /nfs/dbraw/zinc/87/88/38/1067878838.db2.gz BQCFBHSDFZITPJ-UHFFFAOYSA-N 1 0 457.771 4.580 20 0 JJADRO CCOc1c(Cl)cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)cc1OC ZINC001461509838 1067879150 /nfs/dbraw/zinc/87/91/50/1067879150.db2.gz BZAAXMHPOQXPNU-MRXNPFEDSA-N 1 0 456.808 4.759 20 0 JJADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001461512615 1067879553 /nfs/dbraw/zinc/87/95/53/1067879553.db2.gz GSPRWPGRSOYMOJ-UHFFFAOYSA-N 1 0 456.306 4.566 20 0 JJADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC001461511310 1067879739 /nfs/dbraw/zinc/87/97/39/1067879739.db2.gz HTUVSPXXFRDCBS-CYBMUJFWSA-N 1 0 453.427 4.584 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1=O ZINC001461529015 1067881764 /nfs/dbraw/zinc/88/17/64/1067881764.db2.gz DLFCVSWRZBZRMM-FDDCHVKYSA-N 1 0 455.574 4.692 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@H]3CCN(c4ccccc4F)C3)o2)C1 ZINC001461537443 1067883899 /nfs/dbraw/zinc/88/38/99/1067883899.db2.gz AXZUYIKZFRKFCK-UXHICEINSA-N 1 0 457.590 4.593 20 0 JJADRO COC(=O)c1cc(C[NH2+][C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)n2c1CCCC2 ZINC001461539745 1067884210 /nfs/dbraw/zinc/88/42/10/1067884210.db2.gz NCHJLXROUIXZMZ-QFIPXVFZSA-N 1 0 455.599 4.747 20 0 JJADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)ccc1OCC(F)(F)F ZINC001461538763 1067884418 /nfs/dbraw/zinc/88/44/18/1067884418.db2.gz RIMLOINGUUSSIL-INIZCTEOSA-N 1 0 451.489 4.797 20 0 JJADRO COc1cc(Br)c(C[NH2+]CCc2cnc(SC3CCCC3)nc2)c(OC)c1 ZINC001461540144 1067884763 /nfs/dbraw/zinc/88/47/63/1067884763.db2.gz NQORGFPZQDLMCU-UHFFFAOYSA-N 1 0 452.418 4.623 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC3(C[C@H]1F)OCCO3)CC(C)(C)O2 ZINC001461542543 1067885146 /nfs/dbraw/zinc/88/51/46/1067885146.db2.gz VXTVRZGZFQIPHF-CEXWTWQISA-N 1 0 450.551 4.859 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2cccc(I)c2)CC1 ZINC001461553027 1067886913 /nfs/dbraw/zinc/88/69/13/1067886913.db2.gz RBRSQFWBEYVBOF-WKILWMFISA-N 1 0 458.384 4.712 20 0 JJADRO CN(C(=O)c1ccc(NCc2c(Cl)n(C)nc2-c2ccccc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001461567071 1067890242 /nfs/dbraw/zinc/89/02/42/1067890242.db2.gz YYDNPSVYEXFZOW-NRFANRHFSA-N 1 0 452.002 4.519 20 0 JJADRO CC(C)CCOc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)nn1 ZINC001461570736 1067891172 /nfs/dbraw/zinc/89/11/72/1067891172.db2.gz OJTSITAVRLAIMO-NHCUHLMSSA-N 1 0 450.608 4.817 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CC1(c3c(F)cccc3F)CCC1)CCO2 ZINC001461577157 1067892424 /nfs/dbraw/zinc/89/24/24/1067892424.db2.gz NWEGCIMXOUXXEQ-GOSISDBHSA-N 1 0 450.570 4.925 20 0 JJADRO COc1cc(OCC[NH+](C)C)ccc1NCc1cn(-c2ccccc2Br)nc1C ZINC001461581509 1067893526 /nfs/dbraw/zinc/89/35/26/1067893526.db2.gz IHMQCPKFFUHRNC-UHFFFAOYSA-N 1 0 459.388 4.504 20 0 JJADRO Oc1ccc(Br)c(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC001461582910 1067893822 /nfs/dbraw/zinc/89/38/22/1067893822.db2.gz QATHCOBHDIZJFG-UHFFFAOYSA-N 1 0 454.206 4.671 20 0 JJADRO CCOc1cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)ccc1OCc1c(Cl)cccc1Cl ZINC001461583583 1067894064 /nfs/dbraw/zinc/89/40/64/1067894064.db2.gz VMCXBQFMRDAJLO-LAUBAEHRSA-N 1 0 454.394 4.848 20 0 JJADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001461583847 1067894382 /nfs/dbraw/zinc/89/43/82/1067894382.db2.gz SDWWNEKBADFGOR-NQIIRXRSSA-N 1 0 459.606 4.787 20 0 JJADRO Ic1cnc(CNc2ccc(SCC[NH+]3CCCCC3)cc2)s1 ZINC001461590124 1067895259 /nfs/dbraw/zinc/89/52/59/1067895259.db2.gz SBEQJRNUQYHUHA-UHFFFAOYSA-N 1 0 459.422 4.938 20 0 JJADRO Cc1ccc(O[C@@H](C)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c(Br)c1 ZINC001461593381 1067896480 /nfs/dbraw/zinc/89/64/80/1067896480.db2.gz AHGXZHKOMQEPHU-SIKLNZKXSA-N 1 0 459.428 4.894 20 0 JJADRO COc1ccc(CCC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)c(Br)c1 ZINC001461595198 1067896969 /nfs/dbraw/zinc/89/69/69/1067896969.db2.gz FQILAQXJXJSAFV-QHCPKHFHSA-N 1 0 459.428 4.759 20 0 JJADRO CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2SC)cc1Br ZINC001461596744 1067897342 /nfs/dbraw/zinc/89/73/42/1067897342.db2.gz WZIJLQZVBUFPFV-FMKPAKJESA-N 1 0 453.240 4.609 20 0 JJADRO CCC(CC)(C[NH2+]Cc1c(Br)cncc1Br)C(=O)OC(C)(C)C ZINC001461596887 1067897479 /nfs/dbraw/zinc/89/74/79/1067897479.db2.gz YDUNIYKFWKPROV-UHFFFAOYSA-N 1 0 450.215 4.844 20 0 JJADRO CC(C)[C@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC[N@@H+]1Cc1ccccc1 ZINC001461597496 1067898134 /nfs/dbraw/zinc/89/81/34/1067898134.db2.gz KNOXIPPSVFBJFK-HSZRJFAPSA-N 1 0 453.533 4.921 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCS[C@H]2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001461622401 1067903727 /nfs/dbraw/zinc/90/37/27/1067903727.db2.gz DMUGHTKOTRACSF-WMLDXEAASA-N 1 0 454.514 4.715 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2nc3ccccc3o2)cc1F ZINC001461624425 1067904130 /nfs/dbraw/zinc/90/41/30/1067904130.db2.gz GXCKXEQHUUUAJJ-PXNSSMCTSA-N 1 0 455.530 4.858 20 0 JJADRO CCc1c(Br)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1Br ZINC001461632426 1067906167 /nfs/dbraw/zinc/90/61/67/1067906167.db2.gz MNZRBTFRGFABHP-HNNXBMFYSA-N 1 0 458.238 4.911 20 0 JJADRO O=[S@@](CC[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)CC(F)(F)F ZINC001461634201 1067906567 /nfs/dbraw/zinc/90/65/67/1067906567.db2.gz ZCWTUSQUXDZZMU-PMERELPUSA-N 1 0 455.933 4.652 20 0 JJADRO COCC[C@H](C[NH2+][C@@H]1CCCSc2ccc(Br)cc21)NC(=O)OC(C)(C)C ZINC001461643690 1067908008 /nfs/dbraw/zinc/90/80/08/1067908008.db2.gz LFLKLFQGSPPZLH-NVXWUHKLSA-N 1 0 459.450 4.896 20 0 JJADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c1 ZINC001461657353 1067911741 /nfs/dbraw/zinc/91/17/41/1067911741.db2.gz ZFFZBKAQIAHHME-RXFWQSSRSA-N 1 0 457.574 4.811 20 0 JJADRO CCCOc1c(Br)cc(Br)cc1C[NH2+]CCc1ccc(OC)nc1 ZINC001461675724 1067915831 /nfs/dbraw/zinc/91/58/31/1067915831.db2.gz NSIPWOZRMGVEMY-UHFFFAOYSA-N 1 0 458.194 4.736 20 0 JJADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1C ZINC001461680629 1067916897 /nfs/dbraw/zinc/91/68/97/1067916897.db2.gz ATBZKALBXJYEEM-JOCHJYFZSA-N 1 0 454.500 4.700 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001461691724 1067919061 /nfs/dbraw/zinc/91/90/61/1067919061.db2.gz ULNULJQFGASLQC-MAEOIBBWSA-N 1 0 453.414 4.940 20 0 JJADRO Cc1ccc(CN2CCO[C@@H](C[NH2+]Cc3cccc(OCc4ccc(F)cc4F)c3)C2)cc1 ZINC001461693810 1067919556 /nfs/dbraw/zinc/91/95/56/1067919556.db2.gz GKACBNBYPQFZIJ-SANMLTNESA-N 1 0 452.545 4.843 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1 ZINC001461694797 1067919966 /nfs/dbraw/zinc/91/99/66/1067919966.db2.gz NIWXXTFWXKZZJS-DEOSSOPVSA-N 1 0 452.574 4.686 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1CN(Cc2cccc(C)c2)CCO1 ZINC001461694063 1067919982 /nfs/dbraw/zinc/91/99/82/1067919982.db2.gz HHCYHLWVYPXTKN-JOCHJYFZSA-N 1 0 459.421 4.787 20 0 JJADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001461697715 1067920871 /nfs/dbraw/zinc/92/08/71/1067920871.db2.gz AUOIENHLKFYETH-KXBFYZLASA-N 1 0 450.446 4.836 20 0 JJADRO COC(=O)c1cc(C[NH2+]Cc2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)n(C)c1C ZINC001461709349 1067922794 /nfs/dbraw/zinc/92/27/94/1067922794.db2.gz XPMLQSBRJPGDNB-UHFFFAOYSA-N 1 0 456.590 4.939 20 0 JJADRO CCCOc1c(Cl)cc(C[NH2+]C[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1OCC ZINC001461736888 1067927730 /nfs/dbraw/zinc/92/77/30/1067927730.db2.gz RQDAYFRURRZZKY-QHCPKHFHSA-N 1 0 457.011 4.643 20 0 JJADRO COc1cc(C[NH2+]Cc2ccc3oc(=O)[nH]c3c2)ccc1OCCOc1ccccc1Cl ZINC001461737168 1067927839 /nfs/dbraw/zinc/92/78/39/1067927839.db2.gz UNTQRCGIFWSZIJ-UHFFFAOYSA-N 1 0 454.910 4.943 20 0 JJADRO FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001461753344 1067930669 /nfs/dbraw/zinc/93/06/69/1067930669.db2.gz HXWDHXVVGRRBCR-NHCUHLMSSA-N 1 0 479.344 4.787 20 0 JJADRO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc2c(c1)ncn2C ZINC001461760958 1067932222 /nfs/dbraw/zinc/93/22/22/1067932222.db2.gz HSMBTQFVKZTBCA-UHFFFAOYSA-N 1 0 453.178 4.787 20 0 JJADRO Cc1ccc(Oc2cc(Cl)ccc2C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c(C)c1 ZINC001461760658 1067932237 /nfs/dbraw/zinc/93/22/37/1067932237.db2.gz ODYTUXFVLNNVBO-UHFFFAOYSA-N 1 0 459.011 4.958 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001461766822 1067933033 /nfs/dbraw/zinc/93/30/33/1067933033.db2.gz QJOPMZYWGPINTF-SJLPKXTDSA-N 1 0 465.660 4.634 20 0 JJADRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccc(C)c1)C(F)(F)F ZINC001461772516 1067934550 /nfs/dbraw/zinc/93/45/50/1067934550.db2.gz FJCYWRRRKMHPKO-JHUUHBRDSA-N 1 0 459.512 4.840 20 0 JJADRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccc(C)c1)C(F)(F)F ZINC001461772517 1067934597 /nfs/dbraw/zinc/93/45/97/1067934597.db2.gz FJCYWRRRKMHPKO-JPFBCYGGSA-N 1 0 459.512 4.840 20 0 JJADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@]2(c3ccccc3)CCCO2)CC1 ZINC001461779776 1067935668 /nfs/dbraw/zinc/93/56/68/1067935668.db2.gz YEMMZSIFQSAMFK-XMMPIXPASA-N 1 0 457.412 4.658 20 0 JJADRO OC1(C2(C[NH2+]Cc3cc(F)ccc3Oc3ccc(Br)cc3)CC2)CCOCC1 ZINC001461780187 1067936138 /nfs/dbraw/zinc/93/61/38/1067936138.db2.gz ZEQGMJFYBROBPR-UHFFFAOYSA-N 1 0 450.348 4.792 20 0 JJADRO CSc1ccc(Br)cc1CC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC001461785441 1067936903 /nfs/dbraw/zinc/93/69/03/1067936903.db2.gz HCHMWDNPIAFWEE-UHFFFAOYSA-N 1 0 455.219 4.914 20 0 JJADRO CCOC(=O)C1(C[NH2+]Cc2cc(Br)c(OC(F)F)c(OCC)c2)CCCC1 ZINC001461789969 1067937533 /nfs/dbraw/zinc/93/75/33/1067937533.db2.gz PKRXELOXTPEADC-UHFFFAOYSA-N 1 0 450.320 4.662 20 0 JJADRO COC(=O)c1cnc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)s1 ZINC001461789521 1067937569 /nfs/dbraw/zinc/93/75/69/1067937569.db2.gz LBUVLJIAHAYMAE-UHFFFAOYSA-N 1 0 452.967 4.768 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CO1 ZINC001461790793 1067937633 /nfs/dbraw/zinc/93/76/33/1067937633.db2.gz ACDRPNUKXYKZRC-HXUWFJFHSA-N 1 0 454.958 4.833 20 0 JJADRO CC1(C)CCC[C@@H](C[NH2+]Cc2cc(I)c(Br)cc2F)O1 ZINC001461792735 1067937925 /nfs/dbraw/zinc/93/79/25/1067937925.db2.gz GZAXHZZIRBJBLG-NSHDSACASA-N 1 0 456.137 4.630 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)CCCOCCc2ccccc2)C1 ZINC001461825774 1067942386 /nfs/dbraw/zinc/94/23/86/1067942386.db2.gz CCGFXPZHQPLFPR-JOCHJYFZSA-N 1 0 459.428 4.698 20 0 JJADRO CCO[C@@H](C)c1ncc(C(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)s1 ZINC001461827785 1067942756 /nfs/dbraw/zinc/94/27/56/1067942756.db2.gz GSLXTEHLNLPLEY-BBRMVZONSA-N 1 0 452.418 4.526 20 0 JJADRO C/C=C\COc1cccc(CC(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)c1 ZINC001461836197 1067943978 /nfs/dbraw/zinc/94/39/78/1067943978.db2.gz LJMVNGBITBLYDS-OLEQZPESSA-N 1 0 457.412 4.856 20 0 JJADRO Cc1cc(=O)[nH]c2cc(C(=O)N3C[C@@H]([NH+](C)C)CCc4cc(Br)ccc43)ccc12 ZINC001461839024 1067945024 /nfs/dbraw/zinc/94/50/24/1067945024.db2.gz QNLTZYMETBLZMC-SFHVURJKSA-N 1 0 454.368 4.535 20 0 JJADRO COC(=O)c1cc(CN2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)n(C)c1C ZINC001461855876 1067948169 /nfs/dbraw/zinc/94/81/69/1067948169.db2.gz VSCDLJWUPMQFEX-RUZDIDTESA-N 1 0 451.998 4.681 20 0 JJADRO Cc1c(Br)cc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cc1Br ZINC001461906820 1067958831 /nfs/dbraw/zinc/95/88/31/1067958831.db2.gz LVDFGCPIZDRWFH-QGZVFWFLSA-N 1 0 457.206 4.530 20 0 JJADRO COc1ccc(OC)c(CN2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC001461913303 1067960069 /nfs/dbraw/zinc/96/00/69/1067960069.db2.gz OZZMTVMSWHFFJC-UHFFFAOYSA-N 1 0 452.545 4.932 20 0 JJADRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001461956641 1067968798 /nfs/dbraw/zinc/96/87/98/1067968798.db2.gz GUGNQHHIYJCXJU-HSZRJFAPSA-N 1 0 457.659 4.888 20 0 JJADRO CCc1ccc(C[NH+]2CCN(Cc3c[nH]nc3-c3ccc(Br)s3)CC2)s1 ZINC001461969191 1067971343 /nfs/dbraw/zinc/97/13/43/1067971343.db2.gz OCROSILBBDUVRX-UHFFFAOYSA-N 1 0 451.459 4.842 20 0 JJADRO C[C@@H]1C[C@H](N(C)Cc2cccc(F)c2I)CC[N@@H+]1Cc1ccccc1 ZINC001461989080 1067976191 /nfs/dbraw/zinc/97/61/91/1067976191.db2.gz ZALZWDNGMCFPHR-VQIMIIECSA-N 1 0 452.355 4.915 20 0 JJADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC001462045226 1067988317 /nfs/dbraw/zinc/98/83/17/1067988317.db2.gz BZBLKBYTZDTYDW-HXOBKFHXSA-N 1 0 450.970 4.608 20 0 JJADRO CC(=O)N(c1nc(CN[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001462045772 1067988835 /nfs/dbraw/zinc/98/88/35/1067988835.db2.gz FICHXWBQXNDRFA-AOMKIAJQSA-N 1 0 456.562 4.716 20 0 JJADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)COC1(C)C ZINC001462047126 1067989380 /nfs/dbraw/zinc/98/93/80/1067989380.db2.gz IITZWYMSPPXLQP-RBUKOAKNSA-N 1 0 457.640 4.877 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](CC(N)=O)c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC001462064671 1067994502 /nfs/dbraw/zinc/99/45/02/1067994502.db2.gz QUCAOZPQCALUSP-NYVOZVTQSA-N 1 0 458.002 4.987 20 0 JJADRO OC[C@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)Cc1cccc(Br)c1 ZINC001462082983 1067998219 /nfs/dbraw/zinc/99/82/19/1067998219.db2.gz KJZISYAPSSSPLS-FVWXCPNNSA-N 1 0 453.218 4.898 20 0 JJADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC001462081646 1067998290 /nfs/dbraw/zinc/99/82/90/1067998290.db2.gz GZQJCYZBHNSQTH-PXNSSMCTSA-N 1 0 455.234 4.974 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cnc(OC(C)C)c(Cl)c2)cc1 ZINC001462109400 1068006053 /nfs/dbraw/zinc/00/60/53/1068006053.db2.gz QKESCQDIJPDVSN-UKILVPOCSA-N 1 0 480.008 4.929 20 0 JJADRO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001462118294 1068007897 /nfs/dbraw/zinc/00/78/97/1068007897.db2.gz CFQQTGYBAUWTMB-IAGOWNOFSA-N 1 0 450.514 4.771 20 0 JJADRO Cn1cc([C@H]([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)c2ccc(F)cc2)cn1 ZINC001462119326 1068008286 /nfs/dbraw/zinc/00/82/86/1068008286.db2.gz SBWDYPRTSPTSNP-YTFSRNRJSA-N 1 0 457.391 4.836 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001462121612 1068009155 /nfs/dbraw/zinc/00/91/55/1068009155.db2.gz KSIANXOXUNLRCF-GOEBONIOSA-N 1 0 451.792 4.609 20 0 JJADRO CC[NH+]1CCN(c2cccc(N[C@@H]3CCN(C)[C@@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122790 1068010066 /nfs/dbraw/zinc/01/00/66/1068010066.db2.gz AQVDTXFWFHHJON-ISKFKSNPSA-N 1 0 457.460 4.838 20 0 JJADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462153823 1068017843 /nfs/dbraw/zinc/01/78/43/1068017843.db2.gz DJJOTCSNXYCLIE-XIKOKIGWSA-N 1 0 458.183 4.918 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC001462154587 1068018126 /nfs/dbraw/zinc/01/81/26/1068018126.db2.gz IZXZIADUXQMOEH-QFIPXVFZSA-N 1 0 458.400 4.594 20 0 JJADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462158845 1068018857 /nfs/dbraw/zinc/01/88/57/1068018857.db2.gz RTGCDWGSAYMWTJ-UGSOOPFHSA-N 1 0 452.190 4.538 20 0 JJADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462159436 1068018958 /nfs/dbraw/zinc/01/89/58/1068018958.db2.gz WVVOKSWDPWUQEE-LIRRHRJNSA-N 1 0 453.327 4.767 20 0 JJADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001462166019 1068020658 /nfs/dbraw/zinc/02/06/58/1068020658.db2.gz YWOBWDLNILHOOK-QGZVFWFLSA-N 1 0 456.384 4.784 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCO[C@H](c2ccccc2OC)C1)c1cccc(C(F)(F)F)c1 ZINC001462166996 1068020775 /nfs/dbraw/zinc/02/07/75/1068020775.db2.gz KWKALJRRYWGFLM-FCHUYYIVSA-N 1 0 450.501 4.697 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]C3CC(N4CCC(C(F)(F)F)CC4)C3)CC[C@@H]21 ZINC001462175890 1068022306 /nfs/dbraw/zinc/02/23/06/1068022306.db2.gz FFBDBDSOIUBPIK-IUDHNKCCSA-N 1 0 459.597 4.950 20 0 JJADRO O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001462183875 1068024370 /nfs/dbraw/zinc/02/43/70/1068024370.db2.gz DMRNQDSOICSVLO-RTBURBONSA-N 1 0 459.493 4.742 20 0 JJADRO C[NH+](C)CCN(Cc1c[nH]nc1-c1ccc(Br)s1)Cc1ccc(F)cc1F ZINC001462189040 1068025694 /nfs/dbraw/zinc/02/56/94/1068025694.db2.gz LUBYEOLOISRLRQ-UHFFFAOYSA-N 1 0 455.372 4.743 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)Cc3cccc(F)c3Br)CC2)c1C ZINC001462198776 1068027275 /nfs/dbraw/zinc/02/72/75/1068027275.db2.gz FUCMGESUDNTGNC-UHFFFAOYSA-N 1 0 450.396 4.705 20 0 JJADRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)c(Br)c1 ZINC001462200955 1068027852 /nfs/dbraw/zinc/02/78/52/1068027852.db2.gz SFTVYUPGQXQBKW-NSHDSACASA-N 1 0 459.153 4.858 20 0 JJADRO CCc1ccccc1Oc1ccc(Cl)cc1C[NH+]1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC001462208644 1068029386 /nfs/dbraw/zinc/02/93/86/1068029386.db2.gz CQBOASNGZBJQGV-UHFFFAOYSA-N 1 0 456.030 4.681 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001462226481 1068033079 /nfs/dbraw/zinc/03/30/79/1068033079.db2.gz XVPKPIYBOWXUSL-HUJIQXBTSA-N 1 0 451.652 4.646 20 0 JJADRO Fc1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(I)c1 ZINC001462227505 1068033210 /nfs/dbraw/zinc/03/32/10/1068033210.db2.gz UJVSHRRPSQQTNU-NRFANRHFSA-N 1 0 450.339 4.528 20 0 JJADRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H](C)CC(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC001462245799 1068036901 /nfs/dbraw/zinc/03/69/01/1068036901.db2.gz FQFLFKOBZATVKK-GOSISDBHSA-N 1 0 457.018 4.578 20 0 JJADRO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC001462281495 1068042828 /nfs/dbraw/zinc/04/28/28/1068042828.db2.gz UYVCYCCEWYDJMY-UHFFFAOYSA-N 1 0 451.611 4.519 20 0 JJADRO C[NH+](C)C1(C)CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC001462287011 1068043957 /nfs/dbraw/zinc/04/39/57/1068043957.db2.gz COGBEAORBCFSCO-WUZYXKQASA-N 1 0 457.537 4.650 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001462335718 1068053665 /nfs/dbraw/zinc/05/36/65/1068053665.db2.gz UXILTRUYYPKHGT-DEOSSOPVSA-N 1 0 451.652 4.747 20 0 JJADRO C[C@H]1C[C@@H](C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001462336841 1068053689 /nfs/dbraw/zinc/05/36/89/1068053689.db2.gz XAQYTHWXFJEYRZ-JYAXBFRTSA-N 1 0 455.565 4.642 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001462337602 1068054144 /nfs/dbraw/zinc/05/41/44/1068054144.db2.gz BZJHWXOLBNAXIC-WOJBJXKFSA-N 1 0 453.421 4.733 20 0 JJADRO CCCC1(C[NH2+]C[C@H](O)c2ccccc2Br)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462339799 1068054758 /nfs/dbraw/zinc/05/47/58/1068054758.db2.gz RZNAWMQLMLUBKV-IBGZPJMESA-N 1 0 455.437 4.890 20 0 JJADRO C[C@@H]1[C@H]([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001462354930 1068057832 /nfs/dbraw/zinc/05/78/32/1068057832.db2.gz FDKUGACAHMQLEE-UMSONDCASA-N 1 0 466.464 4.962 20 0 JJADRO C[C@@H]1[C@H]([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001462354926 1068057948 /nfs/dbraw/zinc/05/79/48/1068057948.db2.gz FDKUGACAHMQLEE-RCOXNQKVSA-N 1 0 466.464 4.962 20 0 JJADRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)c(C)c1 ZINC001462360913 1068059518 /nfs/dbraw/zinc/05/95/18/1068059518.db2.gz LDBOLUGJKUQIEO-AWEZNQCLSA-N 1 0 452.780 4.665 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)C1(C)C ZINC001462363477 1068059998 /nfs/dbraw/zinc/05/99/98/1068059998.db2.gz ASDPWTXCDZMXJH-MFKWGIFDSA-N 1 0 451.652 4.836 20 0 JJADRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001462371892 1068061487 /nfs/dbraw/zinc/06/14/87/1068061487.db2.gz HPHGSLQBBJAETQ-UHFFFAOYSA-N 1 0 453.901 4.785 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001462380205 1068063228 /nfs/dbraw/zinc/06/32/28/1068063228.db2.gz GAVHWWDWTMXSKX-SLFFLAALSA-N 1 0 466.569 4.688 20 0 JJADRO CC(C)(C)[C@]1(CNc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001462388948 1068064445 /nfs/dbraw/zinc/06/44/45/1068064445.db2.gz AESKNIIRSCPIDN-VWLOTQADSA-N 1 0 459.631 4.617 20 0 JJADRO CC(C)(C)OC(=O)NCC1(CC[NH2+][C@@H]2CC[C@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001462403311 1068066737 /nfs/dbraw/zinc/06/67/37/1068066737.db2.gz JDVJPNIKEREJJR-AQNXPRMDSA-N 1 0 451.652 4.839 20 0 JJADRO CNC(=O)[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406080 1068067231 /nfs/dbraw/zinc/06/72/31/1068067231.db2.gz AWQQHHGOLDFTPF-ODGPQVTHSA-N 1 0 459.556 4.568 20 0 JJADRO Cc1ccc(-n2c(Cl)c(CN3CC[C@H]([N@H+](C)CCc4ccccc4)C3)nc2N(C)C)cc1 ZINC001462411249 1068068723 /nfs/dbraw/zinc/06/87/23/1068068723.db2.gz FGPIIAOQPPJYKB-QHCPKHFHSA-N 1 0 452.046 4.649 20 0 JJADRO COc1cc(C[NH2+]C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c(Br)cc1O ZINC001462410981 1068068758 /nfs/dbraw/zinc/06/87/58/1068068758.db2.gz MPOPTOJUUMWIER-HNNXBMFYSA-N 1 0 459.425 4.973 20 0 JJADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)C1 ZINC001462413693 1068069835 /nfs/dbraw/zinc/06/98/35/1068069835.db2.gz VBSMSBSETBJVCK-VQTJNVASSA-N 1 0 454.558 4.900 20 0 JJADRO C[C@H]1CN(c2ccccc2C[N@@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001462424775 1068071867 /nfs/dbraw/zinc/07/18/67/1068071867.db2.gz GLTUSPSQGZAGAP-JTHBVZDNSA-N 1 0 457.659 4.771 20 0 JJADRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]C[C@H](O)c2cccc3ccccc32)CC1 ZINC001462431084 1068073280 /nfs/dbraw/zinc/07/32/80/1068073280.db2.gz XLSXNOGVRLDEIN-BAWHURIHSA-N 1 0 452.982 4.623 20 0 JJADRO C[C@@H]1C[N@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1C(=O)OC(C)(C)C ZINC001462442324 1068075126 /nfs/dbraw/zinc/07/51/26/1068075126.db2.gz QROFWFJITDBHMD-APWZRJJASA-N 1 0 450.645 4.841 20 0 JJADRO Cc1scc(C[N@@H+]2CCC[C@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)c1C ZINC001462454895 1068078421 /nfs/dbraw/zinc/07/84/21/1068078421.db2.gz YGVRHJFQBBPXIO-IBGZPJMESA-N 1 0 459.660 4.525 20 0 JJADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462460294 1068078865 /nfs/dbraw/zinc/07/88/65/1068078865.db2.gz RUAQGDWXSOCCMP-FOIQADDNSA-N 1 0 453.371 4.972 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460713 1068079157 /nfs/dbraw/zinc/07/91/57/1068079157.db2.gz ZHAFOBITZZTWHB-FQEVSTJZSA-N 1 0 455.496 4.655 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+][C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)C1 ZINC001462477023 1068081752 /nfs/dbraw/zinc/08/17/52/1068081752.db2.gz CTJIAVPKIJKUKA-LLBQEJIASA-N 1 0 451.652 4.647 20 0 JJADRO COc1cccc([C@H](O)C2CC[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC2)c1 ZINC001462477824 1068081846 /nfs/dbraw/zinc/08/18/46/1068081846.db2.gz GTMULDQPOLLRKU-XMMPIXPASA-N 1 0 459.512 4.904 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)C12CCOCC2 ZINC001462483952 1068082872 /nfs/dbraw/zinc/08/28/72/1068082872.db2.gz HXWYKWWKJKGMMA-UXHICEINSA-N 1 0 451.970 4.555 20 0 JJADRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)o1 ZINC001462497774 1068085544 /nfs/dbraw/zinc/08/55/44/1068085544.db2.gz VKJBKCVAINKEJB-YVCBRDFCSA-N 1 0 454.567 4.999 20 0 JJADRO COC(=O)c1ccc(Cl)c(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)c1 ZINC001462509498 1068087920 /nfs/dbraw/zinc/08/79/20/1068087920.db2.gz SDYTZBGKOOQEJE-AZGAKELHSA-N 1 0 464.993 4.893 20 0 JJADRO CCOc1cc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462515785 1068089476 /nfs/dbraw/zinc/08/94/76/1068089476.db2.gz NSRQQCUXLUKMRC-NRFANRHFSA-N 1 0 457.567 4.968 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OCc3ccccc3)C1)C2 ZINC001462523964 1068091229 /nfs/dbraw/zinc/09/12/29/1068091229.db2.gz STMNPXQKWNTMES-GPJHCHHRSA-N 1 0 457.615 4.555 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538854 1068094573 /nfs/dbraw/zinc/09/45/73/1068094573.db2.gz ZQHQCHNENIWWKR-ZHRRBRCNSA-N 1 0 451.355 4.593 20 0 JJADRO CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC001462544048 1068095610 /nfs/dbraw/zinc/09/56/10/1068095610.db2.gz FFZHQTYRNLABNP-HSALFYBXSA-N 1 0 451.652 4.791 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001462553583 1068097195 /nfs/dbraw/zinc/09/71/95/1068097195.db2.gz KYSBTHVESYOCPG-GZMOKQHVSA-N 1 0 456.608 4.856 20 0 JJADRO COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001462561089 1068098329 /nfs/dbraw/zinc/09/83/29/1068098329.db2.gz VULLXFWIHUIUIJ-YKSBVNFPSA-N 1 0 454.611 4.594 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@@H+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)C1)C1CCCC1 ZINC001462561495 1068098476 /nfs/dbraw/zinc/09/84/76/1068098476.db2.gz CMFPNQRZKUJHIR-VXSCBNMQSA-N 1 0 454.627 4.806 20 0 JJADRO CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)[nH]n1 ZINC001462562012 1068098782 /nfs/dbraw/zinc/09/87/82/1068098782.db2.gz KNKGEPNGLSYYNB-IBGZPJMESA-N 1 0 457.619 4.563 20 0 JJADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](C[C@H](C)c1ccc(C(F)(F)F)cc1)C2 ZINC001462575838 1068102405 /nfs/dbraw/zinc/10/24/05/1068102405.db2.gz FBAMCQVABKQJIA-NSNOHRKYSA-N 1 0 470.532 4.587 20 0 JJADRO C[C@@H](CCc1cncc2ccccc21)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001462575846 1068102427 /nfs/dbraw/zinc/10/24/27/1068102427.db2.gz HCNWVKZBADUCED-NZQKXSOJSA-N 1 0 453.627 4.952 20 0 JJADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001462580445 1068103989 /nfs/dbraw/zinc/10/39/89/1068103989.db2.gz YIBAILROUABDDJ-IXDOHACOSA-N 1 0 468.436 4.649 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[NH+]2CCC(CCc3ccccc3)CC2)C1 ZINC001462585575 1068105131 /nfs/dbraw/zinc/10/51/31/1068105131.db2.gz HTYVPZDKMNFBDQ-HSZRJFAPSA-N 1 0 453.631 4.695 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC001462590331 1068106557 /nfs/dbraw/zinc/10/65/57/1068106557.db2.gz YXFOSGNNYSHZNH-AREMUKBSSA-N 1 0 458.549 4.809 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 ZINC001462595448 1068107675 /nfs/dbraw/zinc/10/76/75/1068107675.db2.gz NFAZKSWZGOKTRI-FVTFTPSCSA-N 1 0 459.631 4.625 20 0 JJADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)c1 ZINC001462604311 1068110174 /nfs/dbraw/zinc/11/01/74/1068110174.db2.gz NADNQIUNDINLFY-XAJLNHFYSA-N 1 0 451.611 4.927 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462623230 1068115052 /nfs/dbraw/zinc/11/50/52/1068115052.db2.gz LDGIWHPFKSLQML-NVXWUHKLSA-N 1 0 463.420 4.536 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001462634875 1068119424 /nfs/dbraw/zinc/11/94/24/1068119424.db2.gz NNDFWZYWNQCIJS-VXKWHMMOSA-N 1 0 459.631 4.580 20 0 JJADRO Cc1sc(C[NH+]2CCC3(CO[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1Br ZINC001462634236 1068119567 /nfs/dbraw/zinc/11/95/67/1068119567.db2.gz MTDCRRVVOAQVID-OAHLLOKOSA-N 1 0 459.450 4.715 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cnc(-c3cccc(Cl)c3)s2)CCOCC1 ZINC001462645666 1068122892 /nfs/dbraw/zinc/12/28/92/1068122892.db2.gz RIUKSNBHCLKQGE-UHFFFAOYSA-N 1 0 456.011 4.875 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)CCCn2ccc3cc(Cl)ccc32)CCOCC1 ZINC001462648068 1068123851 /nfs/dbraw/zinc/12/38/51/1068123851.db2.gz QFCQYGJPMXFKFW-UHFFFAOYSA-N 1 0 454.014 4.872 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc(C3SCCCS3)cc2)CCOCC1 ZINC001462650305 1068123962 /nfs/dbraw/zinc/12/39/62/1068123962.db2.gz VXRRJFMOQIDZBG-UHFFFAOYSA-N 1 0 456.677 4.966 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC001462732535 1068147261 /nfs/dbraw/zinc/14/72/61/1068147261.db2.gz MJPLBFXUCKHTFO-UHFFFAOYSA-N 1 0 451.441 4.596 20 0 JJADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2cccc3c2cccc3N(C)C)c2cccs2)CC1 ZINC001462734907 1068148204 /nfs/dbraw/zinc/14/82/04/1068148204.db2.gz UPWRNDDGCXUSTR-QFIPXVFZSA-N 1 0 457.665 4.719 20 0 JJADRO CC1CC[NH+]([C@H](CNS(=O)(=O)c2cccc3c2cccc3N(C)C)c2cccs2)CC1 ZINC001462734900 1068148353 /nfs/dbraw/zinc/14/83/53/1068148353.db2.gz UPWRNDDGCXUSTR-JOCHJYFZSA-N 1 0 457.665 4.719 20 0 JJADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccccc1 ZINC001462737717 1068149541 /nfs/dbraw/zinc/14/95/41/1068149541.db2.gz CUFIFLWEWNWKJW-IBGZPJMESA-N 1 0 459.837 4.605 20 0 JJADRO Cc1cnc(Cl)c(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001462799902 1068171088 /nfs/dbraw/zinc/17/10/88/1068171088.db2.gz STJQCOGNKHNMPX-UHFFFAOYSA-N 1 0 456.011 4.785 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)c3c4ncsc4ccc3Cl)cc2)C1 ZINC001462827586 1068179582 /nfs/dbraw/zinc/17/95/82/1068179582.db2.gz BWGSKDFBRYFTCD-HNNXBMFYSA-N 1 0 450.029 4.660 20 0 JJADRO COc1ccc2c(c1)CCC(S(=O)(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)=C2 ZINC001462830002 1068181430 /nfs/dbraw/zinc/18/14/30/1068181430.db2.gz IOVIRLVLFFHDSU-BGYRXZFFSA-N 1 0 454.636 4.580 20 0 JJADRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899357 1068208293 /nfs/dbraw/zinc/20/82/93/1068208293.db2.gz XHQBJWUMXCIDAX-UGKGYDQZSA-N 1 0 457.640 4.517 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001462919611 1068214224 /nfs/dbraw/zinc/21/42/24/1068214224.db2.gz GOKDCNYSSLWRJO-UHFFFAOYSA-N 1 0 455.329 4.553 20 0 JJADRO COc1cc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)ccc1OCc1ccc(Cl)cc1 ZINC001462932336 1068219830 /nfs/dbraw/zinc/21/98/30/1068219830.db2.gz RILHOEHANSGDRW-QFIPXVFZSA-N 1 0 453.970 4.745 20 0 JJADRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2cccc3c2cccc3N(C)C)CCCC1)c1ccccc1 ZINC001463035660 1068258796 /nfs/dbraw/zinc/25/87/96/1068258796.db2.gz NHZNJRCTCGVSSN-HXUWFJFHSA-N 1 0 451.636 4.848 20 0 JJADRO C[NH+](C)CCOc1ccc(CCC(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)cc1 ZINC001463120704 1068294518 /nfs/dbraw/zinc/29/45/18/1068294518.db2.gz GMSUMQCZVCQDLJ-QFIPXVFZSA-N 1 0 459.428 4.556 20 0 JJADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001463226010 1068326936 /nfs/dbraw/zinc/32/69/36/1068326936.db2.gz QIARGQFRBWYLDD-OAQYLSRUSA-N 1 0 456.505 4.521 20 0 JJADRO CCOc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1C(C)C ZINC001463227127 1068327139 /nfs/dbraw/zinc/32/71/39/1068327139.db2.gz XRRZJVPEDJMEHZ-AREMUKBSSA-N 1 0 456.652 4.886 20 0 JJADRO CCOc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1C(C)C ZINC001463227128 1068327295 /nfs/dbraw/zinc/32/72/95/1068327295.db2.gz XRRZJVPEDJMEHZ-SANMLTNESA-N 1 0 456.652 4.886 20 0 JJADRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC001463269841 1068340049 /nfs/dbraw/zinc/34/00/49/1068340049.db2.gz VMGDSYISHDDCJR-UHFFFAOYSA-N 1 0 453.446 4.858 20 0 JJADRO CCCOc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1CC ZINC001463278442 1068342183 /nfs/dbraw/zinc/34/21/83/1068342183.db2.gz GLHNJVHCTLANMD-ZCYQVOJMSA-N 1 0 456.652 4.713 20 0 JJADRO Cc1ccc(I)cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463341433 1068363107 /nfs/dbraw/zinc/36/31/07/1068363107.db2.gz CRLJVVIIOFCMIU-SVFBPWRDSA-N 1 0 474.386 4.630 20 0 JJADRO Cc1c(I)cccc1C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463345227 1068365014 /nfs/dbraw/zinc/36/50/14/1068365014.db2.gz VJTYBYDOPSJEOR-AABGKKOBSA-N 1 0 474.386 4.630 20 0 JJADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001463345200 1068365117 /nfs/dbraw/zinc/36/51/17/1068365117.db2.gz VJJQMQKUHYJYTM-MWIHYIROSA-N 1 0 451.636 4.543 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001463412849 1068389494 /nfs/dbraw/zinc/38/94/94/1068389494.db2.gz LTUZXDDMXUHYOZ-YIXXDRMTSA-N 1 0 455.643 4.681 20 0 JJADRO COc1cccc([C@H](CNC(=O)C(F)(F)c2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC001463553942 1068439506 /nfs/dbraw/zinc/43/95/06/1068439506.db2.gz AREJLAAZFBIGPF-IBGZPJMESA-N 1 0 453.327 4.503 20 0 JJADRO CC(C)(CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)[NH+]1CCCCC1 ZINC001463554863 1068439549 /nfs/dbraw/zinc/43/95/49/1068439549.db2.gz MVWRQKGQKVMZEK-UHFFFAOYSA-N 1 0 459.432 4.508 20 0 JJADRO Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463561762 1068444339 /nfs/dbraw/zinc/44/43/39/1068444339.db2.gz AXIXANRWZSKWSC-UHFFFAOYSA-N 1 0 454.939 4.658 20 0 JJADRO C[C@H](CCc1ccc(I)cc1)CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC001463562853 1068445047 /nfs/dbraw/zinc/44/50/47/1068445047.db2.gz HSFBQNDZNMTWPX-QGZVFWFLSA-N 1 0 456.412 4.631 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2cc3c([nH]2)c(C)ccc3Br)[NH+]2CCCC2)c1 ZINC001463564234 1068445693 /nfs/dbraw/zinc/44/56/93/1068445693.db2.gz YQQGAYZJMBFHCC-OAQYLSRUSA-N 1 0 456.384 4.814 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)Cc1ccccc1 ZINC001463565798 1068447577 /nfs/dbraw/zinc/44/75/77/1068447577.db2.gz CWVHTWDCWULGCG-HSZRJFAPSA-N 1 0 457.659 4.818 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1ccccc1CSC1=NCCS1)[NH+]1CCCC1 ZINC001463573777 1068451820 /nfs/dbraw/zinc/45/18/20/1068451820.db2.gz QURUTCMQUPGXDJ-OAQYLSRUSA-N 1 0 455.649 4.598 20 0 JJADRO CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001463577298 1068453223 /nfs/dbraw/zinc/45/32/23/1068453223.db2.gz VNECGCJEVQDOPZ-YSIASYRMSA-N 1 0 451.677 4.967 20 0 JJADRO O=S(=O)(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(OCC(F)F)c2ccccc21 ZINC001463614741 1068467032 /nfs/dbraw/zinc/46/70/32/1068467032.db2.gz VXWGOZNOPAWWEE-SFHVURJKSA-N 1 0 452.567 4.559 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001463623886 1068470762 /nfs/dbraw/zinc/47/07/62/1068470762.db2.gz IAENSALCANGTEJ-UHFFFAOYSA-N 1 0 459.537 4.853 20 0 JJADRO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC001463646104 1068479521 /nfs/dbraw/zinc/47/95/21/1068479521.db2.gz GZAMGMDJQINLDS-MRXNPFEDSA-N 1 0 453.992 4.790 20 0 JJADRO COc1cccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)NCC[NH+](C)C)c1OC ZINC001463658982 1068485696 /nfs/dbraw/zinc/48/56/96/1068485696.db2.gz ONJVLOYCERIIOE-GMQRBVGNSA-N 1 0 459.590 4.666 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)c3nc(-c4cccc(C(F)(F)F)c4)[nH]c3C)cc2)CC1 ZINC001463715334 1068503302 /nfs/dbraw/zinc/50/33/02/1068503302.db2.gz XYURKMQRAXMGPR-UHFFFAOYSA-N 1 0 457.500 4.798 20 0 JJADRO C[C@H](CCc1ccc(I)cc1)CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001463722390 1068504721 /nfs/dbraw/zinc/50/47/21/1068504721.db2.gz BGHGJHFCMDKTAZ-MSOLQXFVSA-N 1 0 456.412 4.631 20 0 JJADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001463722399 1068504855 /nfs/dbraw/zinc/50/48/55/1068504855.db2.gz BGHGJHFCMDKTAZ-ZWKOTPCHSA-N 1 0 456.412 4.631 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C(C)(C)C ZINC001463723769 1068504961 /nfs/dbraw/zinc/50/49/61/1068504961.db2.gz ITMWOPAUOYPJHK-QHCPKHFHSA-N 1 0 453.627 4.814 20 0 JJADRO O=C(N[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1)OCc1ccccc1 ZINC001463759246 1068514893 /nfs/dbraw/zinc/51/48/93/1068514893.db2.gz BZGADPMHSIDWAB-IZZNHLLZSA-N 1 0 457.574 4.607 20 0 JJADRO CCc1ccc([C@H](CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)[NH+](C)C)cc1 ZINC001463760058 1068515246 /nfs/dbraw/zinc/51/52/46/1068515246.db2.gz FZLWGEJPFMZWPY-QHCPKHFHSA-N 1 0 455.961 4.724 20 0 JJADRO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)cc12 ZINC001463767805 1068517695 /nfs/dbraw/zinc/51/76/95/1068517695.db2.gz DHJZJVYACRGLMY-GOSISDBHSA-N 1 0 453.011 4.952 20 0 JJADRO O=S(=O)(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC001463768579 1068518192 /nfs/dbraw/zinc/51/81/92/1068518192.db2.gz OZNKCHMWLOZIJI-YQQQUEKLSA-N 1 0 456.505 4.709 20 0 JJADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(F)(F)c1cccc(Br)c1 ZINC001463793212 1068526352 /nfs/dbraw/zinc/52/63/52/1068526352.db2.gz BUXADIZCMAUDHR-UHFFFAOYSA-N 1 0 457.746 4.975 20 0 JJADRO Cc1nc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nn1-c1ccccc1C(C)C ZINC001463795987 1068527306 /nfs/dbraw/zinc/52/73/06/1068527306.db2.gz OJTFMKZUUQOWPP-UHFFFAOYSA-N 1 0 452.002 4.747 20 0 JJADRO O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463826664 1068538856 /nfs/dbraw/zinc/53/88/56/1068538856.db2.gz VCRUKXQQZADSQH-HXUWFJFHSA-N 1 0 459.377 4.929 20 0 JJADRO CCCc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC2=O)cc1 ZINC001463827037 1068538959 /nfs/dbraw/zinc/53/89/59/1068538959.db2.gz YUIRZNPQOUJGQA-GBXCKJPGSA-N 1 0 454.014 4.599 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)Cc1ccccc1 ZINC001463836210 1068541631 /nfs/dbraw/zinc/54/16/31/1068541631.db2.gz PIOFOZVMIYRNBC-HXUWFJFHSA-N 1 0 455.400 4.522 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)Cc1ccccc1 ZINC001463836205 1068541773 /nfs/dbraw/zinc/54/17/73/1068541773.db2.gz PIOFOZVMIYRNBC-FQEVSTJZSA-N 1 0 455.400 4.522 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1(C)C ZINC001463838714 1068542987 /nfs/dbraw/zinc/54/29/87/1068542987.db2.gz RNSZEKHLFJYINS-YSIASYRMSA-N 1 0 450.023 4.533 20 0 JJADRO CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463839954 1068543495 /nfs/dbraw/zinc/54/34/95/1068543495.db2.gz ZDIMRSGADMPBQX-IOMROCGXSA-N 1 0 452.039 4.923 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001463894889 1068558340 /nfs/dbraw/zinc/55/83/40/1068558340.db2.gz GERKXHTWGBLRCE-HXUWFJFHSA-N 1 0 457.640 4.854 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC001463900955 1068560523 /nfs/dbraw/zinc/56/05/23/1068560523.db2.gz QUNHGHOACGIPDY-KRWDZBQOSA-N 1 0 457.537 4.697 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1)c1ccccc1Cl ZINC001463915545 1068564233 /nfs/dbraw/zinc/56/42/33/1068564233.db2.gz RHRXTEIVDOPFOS-QFIPXVFZSA-N 1 0 456.974 4.560 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC001463917493 1068565381 /nfs/dbraw/zinc/56/53/81/1068565381.db2.gz PPKOYYUGQBYIHV-QHCPKHFHSA-N 1 0 455.599 4.784 20 0 JJADRO COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC001463979561 1068580967 /nfs/dbraw/zinc/58/09/67/1068580967.db2.gz VXVKFIPLDPPROF-UHFFFAOYSA-N 1 0 454.574 4.848 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[C@H](C4CC4)N3C(=O)OC(C)(C)C)cc2)CC1 ZINC001464016326 1068590051 /nfs/dbraw/zinc/59/00/51/1068590051.db2.gz AUTLADKXYFWELC-DNQXCXABSA-N 1 0 455.643 4.713 20 0 JJADRO CCc1nc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)nn1-c1c(Cl)cccc1Cl ZINC001464100194 1068615255 /nfs/dbraw/zinc/61/52/55/1068615255.db2.gz MGPKYPUCTCBNLA-UHFFFAOYSA-N 1 0 458.393 4.662 20 0 JJADRO CC[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001464103364 1068616694 /nfs/dbraw/zinc/61/66/94/1068616694.db2.gz YIOOIWWBVOWOGW-DNQXCXABSA-N 1 0 451.611 4.514 20 0 JJADRO CC[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001464103085 1068616737 /nfs/dbraw/zinc/61/67/37/1068616737.db2.gz XGKUSUIODUXEIM-ZEQRLZLVSA-N 1 0 457.659 4.803 20 0 JJADRO CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001464125398 1068624303 /nfs/dbraw/zinc/62/43/03/1068624303.db2.gz NACXTOYYRPAKIL-HHHXNRCGSA-N 1 0 457.618 4.791 20 0 JJADRO CCN(C)[C@H](C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1)c1ccccc1 ZINC001464131385 1068627675 /nfs/dbraw/zinc/62/76/75/1068627675.db2.gz BYHKILWHEFWYIX-NDEPHWFRSA-N 1 0 456.634 4.949 20 0 JJADRO Cc1[nH]nc(C(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)c1C(F)(F)F ZINC001464131980 1068627882 /nfs/dbraw/zinc/62/78/82/1068627882.db2.gz GKGHKNXOAGYNPD-UHFFFAOYSA-N 1 0 457.500 4.620 20 0 JJADRO CC(C)[C@H](CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2)[NH+]1CCC(C)CC1 ZINC001464139887 1068631725 /nfs/dbraw/zinc/63/17/25/1068631725.db2.gz WCWDXRJUPIJSRE-QHCPKHFHSA-N 1 0 453.652 4.975 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001464157979 1068636952 /nfs/dbraw/zinc/63/69/52/1068636952.db2.gz NXFCNKISYHMKRT-AMGIVPHBSA-N 1 0 455.602 4.849 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3csc(-c4ccc(Cl)cc4)n3)cc2)CC1 ZINC001464160019 1068638288 /nfs/dbraw/zinc/63/82/88/1068638288.db2.gz OOBMIUGXIVQFCC-UHFFFAOYSA-N 1 0 455.027 4.531 20 0 JJADRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464162398 1068638868 /nfs/dbraw/zinc/63/88/68/1068638868.db2.gz WTLPJWBRFCHEDO-FDDCHVKYSA-N 1 0 452.624 4.725 20 0 JJADRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1C(F)(F)F ZINC001464163116 1068639072 /nfs/dbraw/zinc/63/90/72/1068639072.db2.gz IKLAXKANTKDDHL-LJQANCHMSA-N 1 0 452.542 4.594 20 0 JJADRO COC(=O)c1cc(Br)cc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC001464175391 1068643550 /nfs/dbraw/zinc/64/35/50/1068643550.db2.gz RFLQTTCPWXPJIH-INIZCTEOSA-N 1 0 459.384 4.540 20 0 JJADRO CC(C)NC(=O)Nc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1 ZINC001464178484 1068644144 /nfs/dbraw/zinc/64/41/44/1068644144.db2.gz DOVPGBRBILLVCC-DNQXCXABSA-N 1 0 476.646 4.810 20 0 JJADRO CCCCCNC(=O)C1CCN(C(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)CC1 ZINC001464179577 1068644918 /nfs/dbraw/zinc/64/49/18/1068644918.db2.gz BUPQXCYAUJXHLL-OAQYLSRUSA-N 1 0 455.565 4.633 20 0 JJADRO CCn1c2ccccc2nc1SCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001464192052 1068650244 /nfs/dbraw/zinc/65/02/44/1068650244.db2.gz GWBAQEDSEOFCIC-WOJBJXKFSA-N 1 0 450.652 4.943 20 0 JJADRO CSCc1nc2ccccc2n1CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001464194368 1068651422 /nfs/dbraw/zinc/65/14/22/1068651422.db2.gz MXZBHLSUWOOKHF-PMACEKPBSA-N 1 0 450.652 4.694 20 0 JJADRO COc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)s2)cc1 ZINC001464197406 1068652710 /nfs/dbraw/zinc/65/27/10/1068652710.db2.gz BIQWGHQFAHJOQN-UHFFFAOYSA-N 1 0 451.592 4.779 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)cc1 ZINC001464197464 1068652838 /nfs/dbraw/zinc/65/28/38/1068652838.db2.gz BRVDQYHMOBIJKO-BKMJKUGQSA-N 1 0 459.631 4.916 20 0 JJADRO C[C@H](CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)[N@@H+]1CCCC[C@H]1C ZINC001464201011 1068654119 /nfs/dbraw/zinc/65/41/19/1068654119.db2.gz QVYUPXOLIZGDEF-IAGOWNOFSA-N 1 0 458.400 4.694 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1csc2ccccc12 ZINC001464201556 1068655016 /nfs/dbraw/zinc/65/50/16/1068655016.db2.gz YDWKFIZMKXCJPE-NRFANRHFSA-N 1 0 453.608 4.543 20 0 JJADRO CC(C)[C@H](C(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)[NH+](C)C ZINC001464205852 1068656165 /nfs/dbraw/zinc/65/61/65/1068656165.db2.gz IPRFQMQESLNYFC-TZIWHRDSSA-N 1 0 454.467 4.857 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccnc(Cl)c2Br)C1 ZINC001464206137 1068656609 /nfs/dbraw/zinc/65/66/09/1068656609.db2.gz VZXPQNAVYGLGCA-GJZGRUSLSA-N 1 0 450.808 4.905 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001464215116 1068660521 /nfs/dbraw/zinc/66/05/21/1068660521.db2.gz IOKZTALGCDQBGX-UEXGIBASSA-N 1 0 452.039 4.780 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(NC(=O)N(C)C)cc3Cl)cc2)C1 ZINC001464216007 1068660986 /nfs/dbraw/zinc/66/09/86/1068660986.db2.gz XUHQOCGOFPGFKH-ROUUACIJSA-N 1 0 457.018 4.841 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001464220057 1068662509 /nfs/dbraw/zinc/66/25/09/1068662509.db2.gz SJDZUGCUISTNSJ-OYRHEFFESA-N 1 0 457.659 4.510 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)C1 ZINC001464221705 1068663789 /nfs/dbraw/zinc/66/37/89/1068663789.db2.gz XMMWQNXLMFZLKC-VIZSFHNOSA-N 1 0 457.659 4.729 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001464231897 1068667015 /nfs/dbraw/zinc/66/70/15/1068667015.db2.gz NWGAZXZGDKKELG-RRPNLBNLSA-N 1 0 478.658 4.939 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001464236369 1068669242 /nfs/dbraw/zinc/66/92/42/1068669242.db2.gz MNYBECNZRKTYHY-IZZNHLLZSA-N 1 0 477.649 4.726 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC3(F)F)cc2)CC1 ZINC001464250370 1068675782 /nfs/dbraw/zinc/67/57/82/1068675782.db2.gz VRUQUQXPCXSGHP-FQEVSTJZSA-N 1 0 451.558 4.749 20 0 JJADRO COc1ccc2cc(/C=C/C(=O)NCCCC[NH+]3CCN(Cc4ccccc4)CC3)ccc2c1 ZINC001464280234 1068688486 /nfs/dbraw/zinc/68/84/86/1068688486.db2.gz HIWKERQEBGZNME-GXDHUFHOSA-N 1 0 457.618 4.576 20 0 JJADRO COc1ccc2cc(/C=C\C(=O)NCCCC[NH+]3CCN(Cc4ccccc4)CC3)ccc2c1 ZINC001464280238 1068688521 /nfs/dbraw/zinc/68/85/21/1068688521.db2.gz HIWKERQEBGZNME-UVTDQMKNSA-N 1 0 457.618 4.576 20 0 JJADRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CC(=O)Nc3ccccc3F)Cc3ccc(Cl)cc3)C[N@@H+]2C1 ZINC001464280824 1068689305 /nfs/dbraw/zinc/68/93/05/1068689305.db2.gz JPVNFQURWWBGAV-YFVAEKQCSA-N 1 0 457.977 4.567 20 0 JJADRO Cc1cccc(COc2cccc(C(=O)NCCCC[NH+]3CCN(c4ccccc4)CC3)c2)c1 ZINC001464283630 1068690766 /nfs/dbraw/zinc/69/07/66/1068690766.db2.gz YKEQJDZDGGFKAQ-UHFFFAOYSA-N 1 0 457.618 4.906 20 0 JJADRO CC(C)(C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1csc(-c2c(F)cccc2F)n1 ZINC001464312267 1068701206 /nfs/dbraw/zinc/70/12/06/1068701206.db2.gz SHAGGEGBECOERY-UHFFFAOYSA-N 1 0 456.562 4.542 20 0 JJADRO CCC1(Cn2c(CC(C)C)nnc2N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC001546146576 1068728230 /nfs/dbraw/zinc/72/82/30/1068728230.db2.gz WTNKEWRTAHEKSM-DEOSSOPVSA-N 1 0 453.675 4.784 20 0 JJADRO CO[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1ccc(Br)s1 ZINC001464395038 1068730225 /nfs/dbraw/zinc/73/02/25/1068730225.db2.gz AQQPKJVCNQPWCW-FXAWDEMLSA-N 1 0 451.430 4.788 20 0 JJADRO CC[C@H](C)n1c(SCC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)nnc1-c1ccccc1 ZINC001464458307 1068753848 /nfs/dbraw/zinc/75/38/48/1068753848.db2.gz AYYBKZSUGAYBQM-ZCNNSNEGSA-N 1 0 457.688 4.881 20 0 JJADRO O=C(c1cc(Cl)ccc1Sc1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001464460891 1068754981 /nfs/dbraw/zinc/75/49/81/1068754981.db2.gz NIJDTUOPYLPKIZ-MRXNPFEDSA-N 1 0 451.419 4.939 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc4cc(OC)c(OC)cc4[nH]3)cc2Cl)CC1 ZINC001464469695 1068758502 /nfs/dbraw/zinc/75/85/02/1068758502.db2.gz RHERMPCRIVLKJL-UHFFFAOYSA-N 1 0 456.974 4.623 20 0 JJADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001464472771 1068759652 /nfs/dbraw/zinc/75/96/52/1068759652.db2.gz OLUJNFLBVKUYSP-ICSRJNTNSA-N 1 0 455.027 4.878 20 0 JJADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001464476115 1068760173 /nfs/dbraw/zinc/76/01/73/1068760173.db2.gz JPJWERQAHGTEOD-UHFFFAOYSA-N 1 0 451.327 4.932 20 0 JJADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O2 ZINC001464488396 1068764062 /nfs/dbraw/zinc/76/40/62/1068764062.db2.gz QAWJVMXVYMEHAY-BHDDXSALSA-N 1 0 471.642 4.564 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC(=O)c1ccc(Cl)cn1 ZINC001464491011 1068764648 /nfs/dbraw/zinc/76/46/48/1068764648.db2.gz IBMSNBFYRDUJOX-UHFFFAOYSA-N 1 0 456.801 4.985 20 0 JJADRO CC(=O)N/C(=C/c1cccs1)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC001464493376 1068765710 /nfs/dbraw/zinc/76/57/10/1068765710.db2.gz QVXFYONQLRUERW-DEDYPNTBSA-N 1 0 454.423 4.512 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1nnc(C2CCCC2)o1)c1ccc(C(F)(F)F)cc1 ZINC001464503422 1068768091 /nfs/dbraw/zinc/76/80/91/1068768091.db2.gz ZQPPGYHUENATCE-IBGZPJMESA-N 1 0 452.521 4.878 20 0 JJADRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC001464544341 1068777769 /nfs/dbraw/zinc/77/77/69/1068777769.db2.gz YGCFGVXXHKHRNS-GBXCKJPGSA-N 1 0 451.014 4.972 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C\COC1CCOCC1)[NH+](C)C ZINC001464544620 1068777914 /nfs/dbraw/zinc/77/79/14/1068777914.db2.gz OCSWRLBKUOKDLZ-QJKPHDSHSA-N 1 0 457.442 4.660 20 0 JJADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464552838 1068779473 /nfs/dbraw/zinc/77/94/73/1068779473.db2.gz OLBBOEVOALQXRY-KRWDZBQOSA-N 1 0 454.924 4.584 20 0 JJADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cnc2ncc(Br)cc2c1 ZINC001464593303 1068793120 /nfs/dbraw/zinc/79/31/20/1068793120.db2.gz BDOYGUXBKWQMJY-UHFFFAOYSA-N 1 0 453.384 4.698 20 0 JJADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001464595809 1068794249 /nfs/dbraw/zinc/79/42/49/1068794249.db2.gz LKDMEBSQIOSVKP-UHFFFAOYSA-N 1 0 458.393 4.880 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)[NH+]2CCCC2)cc1 ZINC001464598780 1068794862 /nfs/dbraw/zinc/79/48/62/1068794862.db2.gz UFIMEQHIEUKGGE-FXAWDEMLSA-N 1 0 458.628 4.604 20 0 JJADRO CCC1(C)CCN(C(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001464617863 1068801023 /nfs/dbraw/zinc/80/10/23/1068801023.db2.gz KGYQOPSOXRDQRX-UHFFFAOYSA-N 1 0 457.659 4.975 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001464637904 1068806720 /nfs/dbraw/zinc/80/67/20/1068806720.db2.gz GPNLCCUOKSCJQE-NRFANRHFSA-N 1 0 458.002 4.769 20 0 JJADRO CSc1ncc(Cl)c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)n1 ZINC001464640463 1068808081 /nfs/dbraw/zinc/80/80/81/1068808081.db2.gz YJYWQSRVGZDOHJ-UHFFFAOYSA-N 1 0 459.830 4.897 20 0 JJADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cc1Br ZINC001464642114 1068809405 /nfs/dbraw/zinc/80/94/05/1068809405.db2.gz OOJWNRIHMJGHNI-UHFFFAOYSA-N 1 0 459.306 4.681 20 0 JJADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC001464661758 1068815546 /nfs/dbraw/zinc/81/55/46/1068815546.db2.gz XRUMNIUJUBKEPD-UHFFFAOYSA-N 1 0 457.416 4.808 20 0 JJADRO CN(C(=O)c1ccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1)c1ccccc1 ZINC001464661946 1068815965 /nfs/dbraw/zinc/81/59/65/1068815965.db2.gz BDMZWASUMLOUND-UHFFFAOYSA-N 1 0 455.602 4.744 20 0 JJADRO CCCN(C(=O)c1n[nH]c2ccc(Br)cc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464674365 1068820341 /nfs/dbraw/zinc/82/03/41/1068820341.db2.gz KDRLMPFHDMXRDI-IBGZPJMESA-N 1 0 455.400 4.842 20 0 JJADRO CCCN(C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464675490 1068821169 /nfs/dbraw/zinc/82/11/69/1068821169.db2.gz NVJGDHLZSGNTCA-DNQXCXABSA-N 1 0 454.014 4.596 20 0 JJADRO CCCN(C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464679139 1068822048 /nfs/dbraw/zinc/82/20/48/1068822048.db2.gz YRPHDBBWYIMGAM-YFVAEKQCSA-N 1 0 463.548 4.707 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2Br)[NH+]2CCCC2)o1 ZINC001464686600 1068825598 /nfs/dbraw/zinc/82/55/98/1068825598.db2.gz VYAGWECKANDORS-MRXNPFEDSA-N 1 0 456.178 4.680 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)C1 ZINC001464689974 1068826464 /nfs/dbraw/zinc/82/64/64/1068826464.db2.gz OYRBORKPQSKQJH-DENIHFKCSA-N 1 0 472.630 4.523 20 0 JJADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464710330 1068834003 /nfs/dbraw/zinc/83/40/03/1068834003.db2.gz VZTDJFBDHUPASA-BJKOFHAPSA-N 1 0 468.594 4.559 20 0 JJADRO F[C@@]1(N2CCC3(CCCC[NH2+]3)CC2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164387744 718803327 /nfs/dbraw/zinc/80/33/27/718803327.db2.gz NWNHXVZVHUIGIA-HSZRJFAPSA-N 1 0 464.416 4.530 20 0 JJADRO FC(F)(F)[C@H]1N(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)CCC12CC[NH2+]CC2 ZINC001164389274 718814693 /nfs/dbraw/zinc/81/46/93/718814693.db2.gz UOQGPOAIGCPIQQ-AWEZNQCLSA-N 1 0 455.258 4.992 20 0 JJADRO FC(F)(F)[C@H]1N(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CCC12CC[NH2+]CC2 ZINC001164388893 718814756 /nfs/dbraw/zinc/81/47/56/718814756.db2.gz RHXSRAXNQUXHOE-AWEZNQCLSA-N 1 0 455.258 4.992 20 0 JJADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4C(=O)c5ccccc5[C@H]4C3)c21 ZINC001164405596 718848118 /nfs/dbraw/zinc/84/81/18/718848118.db2.gz LVJOSLVHARZBQK-YADHBBJMSA-N 1 0 499.998 4.813 20 0 JJADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)cnc1Cl ZINC001164406354 718865212 /nfs/dbraw/zinc/86/52/12/718865212.db2.gz GMPAQWCYOKIHEV-ACJLOTCBSA-N 1 0 461.862 4.780 20 0 JJADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164414161 718880883 /nfs/dbraw/zinc/88/08/83/718880883.db2.gz QZYMLVHTCZBWAH-GOSISDBHSA-N 1 0 479.616 4.819 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164620636 719010411 /nfs/dbraw/zinc/01/04/11/719010411.db2.gz ZDFAPYVVOFSTRA-PGRDOPGGSA-N 1 0 497.011 4.553 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4scc(-c5ccc(OC)cc5)c43)CC2)CC1 ZINC001164616394 719031277 /nfs/dbraw/zinc/03/12/77/719031277.db2.gz BFNCWEWHBIZBFO-UHFFFAOYSA-N 1 0 480.634 4.611 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)CC2)CC1 ZINC001164618111 719036088 /nfs/dbraw/zinc/03/60/88/719036088.db2.gz SFPPVCOUMFSKPZ-UHFFFAOYSA-N 1 0 492.998 4.894 20 0 JJADRO c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2nc(CN4CCCCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164621324 719047939 /nfs/dbraw/zinc/04/79/39/719047939.db2.gz IOSXPNQZAUKYGW-DFHRPNOPSA-N 1 0 473.690 4.749 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627373 719095736 /nfs/dbraw/zinc/09/57/36/719095736.db2.gz JYMFQSFXLLOTDE-UXHICEINSA-N 1 0 455.940 4.838 20 0 JJADRO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164638326 719260860 /nfs/dbraw/zinc/26/08/60/719260860.db2.gz OLBBQUMAHMNDNX-ICTDUYRTSA-N 1 0 469.633 4.910 20 0 JJADRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@@H]3O2)n1 ZINC001164634981 719263981 /nfs/dbraw/zinc/26/39/81/719263981.db2.gz HGPPRMKWWQYYMI-HSQYWUDLSA-N 1 0 489.998 4.927 20 0 JJADRO c1sc([C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3O2)nc1C1CC1 ZINC001164645068 719288377 /nfs/dbraw/zinc/28/83/77/719288377.db2.gz BGJQFYFGKUXVLC-GVXSCFBNSA-N 1 0 458.631 4.940 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)nc1 ZINC001164682499 719594273 /nfs/dbraw/zinc/59/42/73/719594273.db2.gz BYJMKIVQWSWWMP-QFIPXVFZSA-N 1 0 453.656 4.555 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4ccc(F)cc43)CC2)c2ccccc21 ZINC001164681732 719659352 /nfs/dbraw/zinc/65/93/52/719659352.db2.gz QNMODJADGMWSTO-GOSISDBHSA-N 1 0 496.030 4.516 20 0 JJADRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2ccccc12 ZINC001164684510 719666694 /nfs/dbraw/zinc/66/66/94/719666694.db2.gz UKDKZYSAHAMZBN-JOCHJYFZSA-N 1 0 456.634 4.637 20 0 JJADRO CSc1ccnc(Cl)c1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684216 719672976 /nfs/dbraw/zinc/67/29/76/719672976.db2.gz SPJKUIWJJRTBIP-GOSISDBHSA-N 1 0 473.086 4.550 20 0 JJADRO Cc1cccc2nc(Cl)nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164686862 719674675 /nfs/dbraw/zinc/67/46/75/719674675.db2.gz YNCXETRVFBVSIK-FQEVSTJZSA-N 1 0 492.067 4.685 20 0 JJADRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(-c2ccsc2)n1 ZINC001164681970 719679592 /nfs/dbraw/zinc/67/95/92/719679592.db2.gz ORKAPMZXSZWCAI-JOCHJYFZSA-N 1 0 489.689 4.607 20 0 JJADRO COc1cc2nc(Cl)nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2cc1OC ZINC001164692446 719807061 /nfs/dbraw/zinc/80/70/61/719807061.db2.gz HGMUESMQENZXQV-UHFFFAOYSA-N 1 0 474.030 4.700 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)cnc43)CC2)nc1 ZINC001164695063 719830644 /nfs/dbraw/zinc/83/06/44/719830644.db2.gz ATFXVYLGJNMJOC-XMMPIXPASA-N 1 0 484.648 4.533 20 0 JJADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694686 719891577 /nfs/dbraw/zinc/89/15/77/719891577.db2.gz CGUZLRSLZMNSEL-UHFFFAOYSA-N 1 0 464.969 4.761 20 0 JJADRO Clc1cccc(COc2cncc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164706270 719906933 /nfs/dbraw/zinc/90/69/33/719906933.db2.gz GPDLMZYRACWRBC-UHFFFAOYSA-N 1 0 471.026 4.642 20 0 JJADRO COc1cc2c(cc(Cl)nc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1F ZINC001164707719 719909853 /nfs/dbraw/zinc/90/98/53/719909853.db2.gz WFNZAMWMDKJZKK-UHFFFAOYSA-N 1 0 461.990 4.969 20 0 JJADRO CCO[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@@H]2CCCO[C@H]12 ZINC001164715197 720063131 /nfs/dbraw/zinc/06/31/31/720063131.db2.gz RYHLOHCVYRFLSE-OYRHQHFDSA-N 1 0 484.040 4.529 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(OC)cc3)nc3ccc(F)cc31)C2 ZINC001164809757 720094189 /nfs/dbraw/zinc/09/41/89/720094189.db2.gz JYKNMLMYRRDXDZ-KMRXNPHXSA-N 1 0 476.596 4.629 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164710325 720097412 /nfs/dbraw/zinc/09/74/12/720097412.db2.gz IQVYMLFRERSLSD-KRWDZBQOSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164710327 720098615 /nfs/dbraw/zinc/09/86/15/720098615.db2.gz IQVYMLFRERSLSD-QGZVFWFLSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164710704 720099279 /nfs/dbraw/zinc/09/92/79/720099279.db2.gz LFYFBPFDUFTVOD-KRWDZBQOSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164806712 720100197 /nfs/dbraw/zinc/10/01/97/720100197.db2.gz DAZPDCKURDNZPT-IERDGZPVSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164710249 720102099 /nfs/dbraw/zinc/10/20/99/720102099.db2.gz HUXFZYXPOFUCAF-HXUWFJFHSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164712639 720104273 /nfs/dbraw/zinc/10/42/73/720104273.db2.gz XKTOWSYQDMDWOM-HXUWFJFHSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164712027 720105837 /nfs/dbraw/zinc/10/58/37/720105837.db2.gz UHWFHQCHYIDSSA-HSZRJFAPSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164714098 720108029 /nfs/dbraw/zinc/10/80/29/720108029.db2.gz AAVNKXYEVWDBDJ-OAQYLSRUSA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164719680 720110997 /nfs/dbraw/zinc/11/09/97/720110997.db2.gz ZYJKARZMYFKIQK-IBGZPJMESA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)CC2 ZINC001164719008 720117013 /nfs/dbraw/zinc/11/70/13/720117013.db2.gz URGBGCVTTLQSOT-TZIWHRDSSA-N 1 0 477.678 4.719 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164816142 720123711 /nfs/dbraw/zinc/12/37/11/720123711.db2.gz XSOALVWGGURBCS-IERDGZPVSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(SC)c(Cl)n1)CC2 ZINC001164717370 720124051 /nfs/dbraw/zinc/12/40/51/720124051.db2.gz NVSHAHLDGBCWHU-GOSISDBHSA-N 1 0 483.028 4.904 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164812539 720124442 /nfs/dbraw/zinc/12/44/42/720124442.db2.gz PHLIMYYUGJLJMN-VFNWGFHPSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3F)nc3ccc(C)cc31)C2 ZINC001164806979 720131376 /nfs/dbraw/zinc/13/13/76/720131376.db2.gz ADBFZMCALFBGAM-KMRXNPHXSA-N 1 0 460.597 4.929 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164713574 720131880 /nfs/dbraw/zinc/13/18/80/720131880.db2.gz SDNYYMMWQMBXKW-XMMPIXPASA-N 1 0 478.040 4.623 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)C2 ZINC001164810493 720131911 /nfs/dbraw/zinc/13/19/11/720131911.db2.gz JXOMPBQKIMIDSJ-SVEHJYQDSA-N 1 0 457.618 4.999 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Oc3ccc(SC)cc3)ncn1)CC2 ZINC001164714782 720133807 /nfs/dbraw/zinc/13/38/07/720133807.db2.gz ZAQKHDMRBRAFPB-JOCHJYFZSA-N 1 0 491.661 4.893 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164710519 720135579 /nfs/dbraw/zinc/13/55/79/720135579.db2.gz CBLZRWIAKRWXJR-IBGZPJMESA-N 1 0 475.971 4.664 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(SC)cnc1Cl)CC2 ZINC001164712526 720137143 /nfs/dbraw/zinc/13/71/43/720137143.db2.gz NDYOISPCCGQFIK-GOSISDBHSA-N 1 0 483.028 4.904 20 0 JJADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713087 720152951 /nfs/dbraw/zinc/15/29/51/720152951.db2.gz QOFZNHVUEHLIAW-GHTZIAJQSA-N 1 0 458.050 4.854 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)C2 ZINC001164816258 720167016 /nfs/dbraw/zinc/16/70/16/720167016.db2.gz KNCBNBNKCBZRLE-DCFHFQCYSA-N 1 0 464.560 4.760 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164815634 720173004 /nfs/dbraw/zinc/17/30/04/720173004.db2.gz IQBSBPMVPMBWFW-WMZHIEFXSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164817749 720173009 /nfs/dbraw/zinc/17/30/09/720173009.db2.gz QEAIQFYCTADJFH-IIBYNOLFSA-N 1 0 469.001 4.588 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164815629 720173096 /nfs/dbraw/zinc/17/30/96/720173096.db2.gz IQBSBPMVPMBWFW-AUSIDOKSSA-N 1 0 462.972 4.527 20 0 JJADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164812428 720183313 /nfs/dbraw/zinc/18/33/13/720183313.db2.gz ANYPVHXUQYAJHE-ZBLYBZFDSA-N 1 0 478.662 4.689 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816891 720186739 /nfs/dbraw/zinc/18/67/39/720186739.db2.gz NOSFGRDYSLWKBA-DWACAAAGSA-N 1 0 491.705 4.605 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816889 720187774 /nfs/dbraw/zinc/18/77/74/720187774.db2.gz NOSFGRDYSLWKBA-DFHRPNOPSA-N 1 0 491.705 4.605 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)C2 ZINC001164815436 720203730 /nfs/dbraw/zinc/20/37/30/720203730.db2.gz ZGBUOYOLLFAZMG-CYFREDJKSA-N 1 0 492.998 4.535 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164815186 720203899 /nfs/dbraw/zinc/20/38/99/720203899.db2.gz WUWBSXSAJIBRHQ-WZONZLPQSA-N 1 0 480.962 4.666 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1 ZINC001164814715 720226885 /nfs/dbraw/zinc/22/68/85/720226885.db2.gz WLDDSCMQRQSFEO-UHFFFAOYSA-N 1 0 486.595 4.552 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)CC1 ZINC001164818935 720306266 /nfs/dbraw/zinc/30/62/66/720306266.db2.gz BTVLRUVVYLWPJW-XZOQPEGZSA-N 1 0 489.010 4.858 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001164832961 720316954 /nfs/dbraw/zinc/31/69/54/720316954.db2.gz VBTIWVDJFJUDRN-JWQCQUIFSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC001164824694 720325254 /nfs/dbraw/zinc/32/52/54/720325254.db2.gz CTQGMXKGKZWREE-DQEYMECFSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccccc3)nc3ccc(Cl)cc32)CC1 ZINC001164823859 720325332 /nfs/dbraw/zinc/32/53/32/720325332.db2.gz BMFYCUDTTFQZGG-DQEYMECFSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC001164821489 720338752 /nfs/dbraw/zinc/33/87/52/720338752.db2.gz AMJOQTXARQQHKB-VXKWHMMOSA-N 1 0 496.080 4.923 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)s1 ZINC001164829622 720343031 /nfs/dbraw/zinc/34/30/31/720343031.db2.gz SVJHCUQAEVKJOY-XZOQPEGZSA-N 1 0 475.662 4.578 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3ccccc3)nc(-c3cccs3)n2)CC1 ZINC001164831688 720344681 /nfs/dbraw/zinc/34/46/81/720344681.db2.gz ZNSYAXFMPYZWBM-RPWUZVMVSA-N 1 0 487.673 4.784 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1 ZINC001164831614 720345374 /nfs/dbraw/zinc/34/53/74/720345374.db2.gz ZBYXTJAAXUIGLC-NSOVKSMOSA-N 1 0 481.644 4.722 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1 ZINC001164825827 720346348 /nfs/dbraw/zinc/34/63/48/720346348.db2.gz JTBMDRXRMCYQEK-DQEYMECFSA-N 1 0 494.083 4.587 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC001164829396 720350340 /nfs/dbraw/zinc/35/03/40/720350340.db2.gz SBBHGFRQJXCOBO-PMACEKPBSA-N 1 0 492.426 4.501 20 0 JJADRO Cc1nc2c(cc(-c3nc(N4CC[C@@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730997 720385531 /nfs/dbraw/zinc/38/55/31/720385531.db2.gz XSHDXGOUZCBFCT-PKTZIBPZSA-N 1 0 489.574 4.909 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164732423 720439379 /nfs/dbraw/zinc/43/93/79/720439379.db2.gz NHMOEJSFVWQWNN-FCHUYYIVSA-N 1 0 462.667 4.542 20 0 JJADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164730959 720440323 /nfs/dbraw/zinc/44/03/23/720440323.db2.gz KLGSXVRMXCUUMW-FCHUYYIVSA-N 1 0 499.640 4.625 20 0 JJADRO O[C@@H]1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@@H]1Cc1ccccc1 ZINC001164834761 720491273 /nfs/dbraw/zinc/49/12/73/720491273.db2.gz UPFCQBWLFBOUCJ-CLJLJLNGSA-N 1 0 490.047 4.939 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725777 720497030 /nfs/dbraw/zinc/49/70/30/720497030.db2.gz KDZVELVOFGFTBO-QIDLSXJSSA-N 1 0 482.644 4.882 20 0 JJADRO COc1cc(Oc2ccnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2)ccc1OCc1ccccc1 ZINC001164735132 720520908 /nfs/dbraw/zinc/52/09/08/720520908.db2.gz UOTJJSLSPWQKCO-QHCPKHFHSA-N 1 0 499.615 4.856 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)C1 ZINC001164735536 720535535 /nfs/dbraw/zinc/53/55/35/720535535.db2.gz PCJYPUKOUSDXTA-OAHLLOKOSA-N 1 0 466.363 4.995 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164734896 720543746 /nfs/dbraw/zinc/54/37/46/720543746.db2.gz LBBWNBOKYNNWJQ-CQSZACIVSA-N 1 0 459.368 4.998 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)CC[C@@H]21 ZINC001164834226 720545276 /nfs/dbraw/zinc/54/52/76/720545276.db2.gz CWTZEDLOPMRACB-RRPUWOKSSA-N 1 0 497.018 4.701 20 0 JJADRO COc1ccccc1-c1cc(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c(Cl)nn1 ZINC001164732645 720548866 /nfs/dbraw/zinc/54/88/66/720548866.db2.gz BLVJQIONGWTWKD-INIZCTEOSA-N 1 0 480.987 4.867 20 0 JJADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)CC2 ZINC001164733766 720558045 /nfs/dbraw/zinc/55/80/45/720558045.db2.gz RZGXTGKRHJTKDT-UHFFFAOYSA-N 1 0 450.590 4.666 20 0 JJADRO Clc1ccc(-c2nc3ccccc3c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)cc1 ZINC001164729609 720563720 /nfs/dbraw/zinc/56/37/20/720563720.db2.gz RQFPCXQXAUXCQU-UHFFFAOYSA-N 1 0 458.997 4.805 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834201 720565136 /nfs/dbraw/zinc/56/51/36/720565136.db2.gz CQZZBNDRRSWOJO-PCCBWWKXSA-N 1 0 486.998 4.916 20 0 JJADRO Clc1ccc2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc(-c3ccccc3)c2c1 ZINC001164736365 720582307 /nfs/dbraw/zinc/58/23/07/720582307.db2.gz KQFOITOFNXCPOC-UHFFFAOYSA-N 1 0 458.997 4.805 20 0 JJADRO Cc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164736619 720589585 /nfs/dbraw/zinc/58/95/85/720589585.db2.gz PCTYSCGEOFIXEB-UHFFFAOYSA-N 1 0 464.617 4.974 20 0 JJADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164844213 720599971 /nfs/dbraw/zinc/59/99/71/720599971.db2.gz ZZLQGJYNGZIILE-CNNODRBYSA-N 1 0 482.028 4.639 20 0 JJADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164844219 720599976 /nfs/dbraw/zinc/59/99/76/720599976.db2.gz ZZLQGJYNGZIILE-XQBPLPMBSA-N 1 0 482.028 4.639 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839748 720603305 /nfs/dbraw/zinc/60/33/05/720603305.db2.gz OGLNHXCWZOMVEA-YSIASYRMSA-N 1 0 470.980 4.636 20 0 JJADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164840262 720605101 /nfs/dbraw/zinc/60/51/01/720605101.db2.gz POQBGAIMDIIBHP-UODIDJSMSA-N 1 0 483.664 4.671 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839213 720605804 /nfs/dbraw/zinc/60/58/04/720605804.db2.gz MFIBBNQCZLSFJU-QNWVGRARSA-N 1 0 499.688 4.816 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)CC[C@@H]21 ZINC001164835602 720608759 /nfs/dbraw/zinc/60/87/59/720608759.db2.gz BRZWGMIVJMRTLZ-ZWOKBUDYSA-N 1 0 476.959 4.509 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@@H]21 ZINC001164839323 720609372 /nfs/dbraw/zinc/60/93/72/720609372.db2.gz NGHZYHZDLHQDOL-UWVAXJGDSA-N 1 0 493.027 4.978 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835600 720610570 /nfs/dbraw/zinc/61/05/70/720610570.db2.gz BRZWGMIVJMRTLZ-FUHIMQAGSA-N 1 0 476.959 4.509 20 0 JJADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835301 720613601 /nfs/dbraw/zinc/61/36/01/720613601.db2.gz AYZBVAHCBLSHBL-YPAWHYETSA-N 1 0 451.018 4.680 20 0 JJADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835299 720614583 /nfs/dbraw/zinc/61/45/83/720614583.db2.gz AYZBVAHCBLSHBL-FDFHNCONSA-N 1 0 451.018 4.680 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC001164842194 720618285 /nfs/dbraw/zinc/61/82/85/720618285.db2.gz UJLLDCAPRFTSLK-GIVPXCGWSA-N 1 0 454.981 4.510 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843152 720633539 /nfs/dbraw/zinc/63/35/39/720633539.db2.gz WYQXNKORCIDRML-HLLBOEOZSA-N 1 0 477.909 4.873 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@@H]21 ZINC001164843153 720633946 /nfs/dbraw/zinc/63/39/46/720633946.db2.gz WYQXNKORCIDRML-VYDXJSESSA-N 1 0 477.909 4.873 20 0 JJADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164842762 720640620 /nfs/dbraw/zinc/64/06/20/720640620.db2.gz VMELROWVUSOTGC-RZUBCFFCSA-N 1 0 467.017 4.805 20 0 JJADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164842753 720641153 /nfs/dbraw/zinc/64/11/53/720641153.db2.gz VMELROWVUSOTGC-JAXLGGSGSA-N 1 0 467.017 4.805 20 0 JJADRO COc1ccc2nc(Cl)nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164838178 720656981 /nfs/dbraw/zinc/65/69/81/720656981.db2.gz GBXYVLOQJVFWKP-LJQANCHMSA-N 1 0 452.986 4.552 20 0 JJADRO COc1ccc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c(Cl)nc2c1 ZINC001164843646 720682398 /nfs/dbraw/zinc/68/23/98/720682398.db2.gz PTJIJZCQMAKUKD-LJQANCHMSA-N 1 0 452.986 4.552 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164845431 720682619 /nfs/dbraw/zinc/68/26/19/720682619.db2.gz ZQWWGELPGPOGHW-HSZRJFAPSA-N 1 0 463.025 4.981 20 0 JJADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839919 720683019 /nfs/dbraw/zinc/68/30/19/720683019.db2.gz CWBFIRWUJFDQPM-NRFANRHFSA-N 1 0 492.645 4.642 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164844788 720683633 /nfs/dbraw/zinc/68/36/33/720683633.db2.gz UULOINLDRUMAKH-QGZVFWFLSA-N 1 0 458.940 4.821 20 0 JJADRO COc1cccc2c1nc(Cl)nc2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842652 720689712 /nfs/dbraw/zinc/68/97/12/720689712.db2.gz MBCUNERRRPSQTK-LJQANCHMSA-N 1 0 452.986 4.552 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164841294 720696172 /nfs/dbraw/zinc/69/61/72/720696172.db2.gz IXWVRSJLEOMGIX-HSZRJFAPSA-N 1 0 455.046 4.591 20 0 JJADRO CCOC(=O)c1cc2c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164842759 720698181 /nfs/dbraw/zinc/69/81/81/720698181.db2.gz NDGXEQRLAAKTKF-JOCHJYFZSA-N 1 0 476.621 4.616 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164842897 720710004 /nfs/dbraw/zinc/71/00/04/720710004.db2.gz ZXQAPKLUCPPWJP-QGZVFWFLSA-N 1 0 458.393 4.592 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164842834 720711110 /nfs/dbraw/zinc/71/11/10/720711110.db2.gz ZETRCUNZFFPJPG-HSZRJFAPSA-N 1 0 465.601 4.952 20 0 JJADRO Cc1cc(OCc2ccccc2)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841007 720723377 /nfs/dbraw/zinc/72/33/77/720723377.db2.gz UHXIVDJRNLGSQY-RUZDIDTESA-N 1 0 458.606 4.624 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c(Cl)nn2)c1 ZINC001164843438 720740194 /nfs/dbraw/zinc/74/01/94/720740194.db2.gz JTWXXNVTCRUWKM-UHFFFAOYSA-N 1 0 472.971 4.899 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1Cl ZINC001164739207 720820415 /nfs/dbraw/zinc/82/04/15/720820415.db2.gz HSGBENPVIYIOPZ-HZSPNIEDSA-N 1 0 476.239 4.666 20 0 JJADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164737705 720826600 /nfs/dbraw/zinc/82/66/00/720826600.db2.gz CDRAZVYFMXSGIM-ZONZVBGPSA-N 1 0 491.643 4.782 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164742456 720834749 /nfs/dbraw/zinc/83/47/49/720834749.db2.gz GNJUHEUZKAERAA-UMTXDNHDSA-N 1 0 497.622 4.715 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164750279 720845838 /nfs/dbraw/zinc/84/58/38/720845838.db2.gz WYSCEFBHGBUKPJ-NLJOTIRTSA-N 1 0 479.632 4.576 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744608 720847704 /nfs/dbraw/zinc/84/77/04/720847704.db2.gz KVBNGQOKNQTWGT-SFHLNBCPSA-N 1 0 491.690 4.699 20 0 JJADRO CSc1nc2sccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754840 720874074 /nfs/dbraw/zinc/87/40/74/720874074.db2.gz TXHHRKBHZXESMF-NBGIEHNGSA-N 1 0 481.691 4.563 20 0 JJADRO c1ccc(-c2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cc1 ZINC001164748414 720880849 /nfs/dbraw/zinc/88/08/49/720880849.db2.gz DRCONFLDLLWKDM-LMSSTIIKSA-N 1 0 454.618 4.899 20 0 JJADRO Fc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164758823 720883699 /nfs/dbraw/zinc/88/36/99/720883699.db2.gz ZRHMTUJLRJBWNF-FNZWTVRRSA-N 1 0 482.003 4.572 20 0 JJADRO Fc1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cnc1Cl ZINC001164756823 720886970 /nfs/dbraw/zinc/88/69/70/720886970.db2.gz RFGNJTZADZSSRI-NFBKMPQASA-N 1 0 480.962 4.569 20 0 JJADRO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCCCC2 ZINC001164752511 720887575 /nfs/dbraw/zinc/88/75/75/720887575.db2.gz DVYLKYPPRROLML-AMGIVPHBSA-N 1 0 482.072 4.549 20 0 JJADRO Cc1sc2nc(C)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164750591 720888304 /nfs/dbraw/zinc/88/83/04/720888304.db2.gz BKIDDVRHBKPYBB-HOFKKMOUSA-N 1 0 477.678 4.767 20 0 JJADRO Clc1ncc(-c2ccccc2)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755365 720891238 /nfs/dbraw/zinc/89/12/38/720891238.db2.gz LLCVUVQUEGCZDJ-UFHPHHKVSA-N 1 0 490.051 4.947 20 0 JJADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754479 720891270 /nfs/dbraw/zinc/89/12/70/720891270.db2.gz JAPSTBIKVZTPTN-AMGIVPHBSA-N 1 0 478.040 4.742 20 0 JJADRO CSc1nc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755421 720894054 /nfs/dbraw/zinc/89/40/54/720894054.db2.gz MADBKXIFEYAJRS-CUNXSJBXSA-N 1 0 475.662 4.502 20 0 JJADRO Fc1cccc(Oc2cncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164756959 720898964 /nfs/dbraw/zinc/89/89/64/720898964.db2.gz SPJKESGYUFOUDB-NEKDWFFYSA-N 1 0 489.595 4.558 20 0 JJADRO Fc1cccc(Oc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164754010 720901655 /nfs/dbraw/zinc/90/16/55/720901655.db2.gz IDEITSKRSWUCHZ-QDPGVEIFSA-N 1 0 489.595 4.558 20 0 JJADRO CSc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754237 720905336 /nfs/dbraw/zinc/90/53/36/720905336.db2.gz VBCSCGVSQSSGGY-HYBUGGRVSA-N 1 0 459.059 4.607 20 0 JJADRO Cc1cccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164750828 720912849 /nfs/dbraw/zinc/91/28/49/720912849.db2.gz KRGKFKSEEIFLBS-GGXMVOPNSA-N 1 0 469.633 4.602 20 0 JJADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164749134 720917236 /nfs/dbraw/zinc/91/72/36/720917236.db2.gz HWVLUGKFZHARLR-YZNIXAGQSA-N 1 0 483.660 4.911 20 0 JJADRO Clc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(-c2ccccc2)n1 ZINC001164748085 720920207 /nfs/dbraw/zinc/92/02/07/720920207.db2.gz FUUCLUPMTJEEDV-CUBQBAPOSA-N 1 0 490.051 4.947 20 0 JJADRO Fc1cccc(F)c1-c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164753764 720921829 /nfs/dbraw/zinc/92/18/29/720921829.db2.gz SMMNCTFIPBUMJA-RBISFHTESA-N 1 0 491.586 4.572 20 0 JJADRO CCc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164747875 720921900 /nfs/dbraw/zinc/92/19/00/720921900.db2.gz DPHSJAISICEFML-OFSOJUDTSA-N 1 0 483.660 4.856 20 0 JJADRO CCN(c1ccccc1)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164749096 720924863 /nfs/dbraw/zinc/92/48/63/720924863.db2.gz HSGAXAWGICVWQU-PDDLMNHVSA-N 1 0 498.675 4.785 20 0 JJADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752905 720930692 /nfs/dbraw/zinc/93/06/92/720930692.db2.gz PIGPRRHVHWCZTK-YIXXDRMTSA-N 1 0 484.088 4.787 20 0 JJADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752903 720931472 /nfs/dbraw/zinc/93/14/72/720931472.db2.gz PIGPRRHVHWCZTK-WNCULLNHSA-N 1 0 484.088 4.787 20 0 JJADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755171 720932919 /nfs/dbraw/zinc/93/29/19/720932919.db2.gz ZHOBSEUNZAJXPT-OUTSHDOLSA-N 1 0 487.623 4.741 20 0 JJADRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1-c1ccccc1F ZINC001164746533 720935235 /nfs/dbraw/zinc/93/52/35/720935235.db2.gz BKKKLGNNJMIMLN-OUTSHDOLSA-N 1 0 487.623 4.741 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)[C@@H]2C ZINC001164859210 720944373 /nfs/dbraw/zinc/94/43/73/720944373.db2.gz LFHFOOOPTMTHLB-MRXNPFEDSA-N 1 0 460.960 4.960 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)[C@@H]2C ZINC001164859753 721003335 /nfs/dbraw/zinc/00/33/35/721003335.db2.gz MIEMWICNRICNSY-QGZVFWFLSA-N 1 0 473.650 4.860 20 0 JJADRO Cc1sc2nc(CN3CCCC3)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164862712 721004019 /nfs/dbraw/zinc/00/40/19/721004019.db2.gz UBBLJENOXBJADP-SFHVURJKSA-N 1 0 467.687 4.522 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccc(Cl)s3)nc3c1CCC3)[C@@H]2C ZINC001164856755 721012424 /nfs/dbraw/zinc/01/24/24/721012424.db2.gz BRXAHSOAQFYMFE-OAHLLOKOSA-N 1 0 457.047 4.965 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)[C@@H]2C ZINC001164864766 721013105 /nfs/dbraw/zinc/01/31/05/721013105.db2.gz ZIZBOJRFOPFQLX-MRXNPFEDSA-N 1 0 460.960 4.960 20 0 JJADRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164861511 721016464 /nfs/dbraw/zinc/01/64/64/721016464.db2.gz OVDMEWAHJTVVHE-IBGZPJMESA-N 1 0 453.034 4.956 20 0 JJADRO COc1cccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164858105 721020756 /nfs/dbraw/zinc/02/07/56/721020756.db2.gz GHQZIVLKXBKGCQ-INIZCTEOSA-N 1 0 456.978 4.549 20 0 JJADRO COC(=O)c1nc(Cl)c(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c(Cl)n1 ZINC001164759463 721046466 /nfs/dbraw/zinc/04/64/66/721046466.db2.gz MROOSBBGNOFEDQ-UHFFFAOYSA-N 1 0 463.409 4.761 20 0 JJADRO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866828 721066538 /nfs/dbraw/zinc/06/65/38/721066538.db2.gz FZWTXJYIIGOZDG-PKTZIBPZSA-N 1 0 470.951 4.822 20 0 JJADRO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867380 721068364 /nfs/dbraw/zinc/06/83/64/721068364.db2.gz IQYCDBUJCZCRPZ-RTWAWAEBSA-N 1 0 489.982 4.964 20 0 JJADRO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867382 721068644 /nfs/dbraw/zinc/06/86/44/721068644.db2.gz IQYCDBUJCZCRPZ-SFTDATJTSA-N 1 0 489.982 4.964 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164867688 721076997 /nfs/dbraw/zinc/07/69/97/721076997.db2.gz ZOGVEIPVXPDEIL-FGZHOGPDSA-N 1 0 457.603 4.541 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164772192 721101595 /nfs/dbraw/zinc/10/15/95/721101595.db2.gz USJGUILZEMCVQF-VQTJNVASSA-N 1 0 476.987 4.781 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164878900 721143197 /nfs/dbraw/zinc/14/31/97/721143197.db2.gz QTYGHDNZUXZVBZ-RPBOFIJWSA-N 1 0 465.601 4.788 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164874533 721144559 /nfs/dbraw/zinc/14/45/59/721144559.db2.gz KNLWMCRZMSGKCL-MOPGFXCFSA-N 1 0 463.632 4.603 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@H]3C2)cn1 ZINC001164763385 721154677 /nfs/dbraw/zinc/15/46/77/721154677.db2.gz FJEJLZFHFIZNQR-WOJBJXKFSA-N 1 0 476.987 4.781 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164870177 721192063 /nfs/dbraw/zinc/19/20/63/721192063.db2.gz UDOAMRKVFJQSLW-NHCUHLMSSA-N 1 0 485.966 4.525 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164766037 721196447 /nfs/dbraw/zinc/19/64/47/721196447.db2.gz IUVFLOQUEVWQFR-DNQXCXABSA-N 1 0 452.606 4.605 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c3ccccc32)cc1C ZINC001164766041 721197759 /nfs/dbraw/zinc/19/77/59/721197759.db2.gz IUVFLOQUEVWQFR-RPWUZVMVSA-N 1 0 452.606 4.605 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164761323 721217039 /nfs/dbraw/zinc/21/70/39/721217039.db2.gz AMAYJGBDJOTCEO-CLJLJLNGSA-N 1 0 450.590 4.502 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164765112 721219323 /nfs/dbraw/zinc/21/93/23/721219323.db2.gz HUHYXMAIBFBGPX-UYAOXDASSA-N 1 0 490.702 4.990 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@H]3C2)cn1 ZINC001164770799 721225287 /nfs/dbraw/zinc/22/52/87/721225287.db2.gz OMBPSBFESVQETO-RBUKOAKNSA-N 1 0 475.946 4.778 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164869150 721225481 /nfs/dbraw/zinc/22/54/81/721225481.db2.gz CGETZPHOVWWIJS-JWQCQUIFSA-N 1 0 493.696 4.505 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164766856 721227097 /nfs/dbraw/zinc/22/70/97/721227097.db2.gz VPEPKSNDDSIHHL-IZZNHLLZSA-N 1 0 456.638 4.883 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@H]3C2)cn1 ZINC001164761463 721249128 /nfs/dbraw/zinc/24/91/28/721249128.db2.gz IMXIDCLBSAKNES-IAGOWNOFSA-N 1 0 463.985 4.700 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164768246 721271073 /nfs/dbraw/zinc/27/10/73/721271073.db2.gz TWXRDUCKQJNDCR-UHFFFAOYSA-N 1 0 497.977 4.726 20 0 JJADRO Cc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777425 721329397 /nfs/dbraw/zinc/32/93/97/721329397.db2.gz NBTXUZLJCNYDMZ-CUNXSJBXSA-N 1 0 476.024 4.613 20 0 JJADRO Cc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164775902 721329410 /nfs/dbraw/zinc/32/94/10/721329410.db2.gz AOHIUXWAIPNAEK-FIPFOOKPSA-N 1 0 490.051 4.656 20 0 JJADRO Cc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777423 721329696 /nfs/dbraw/zinc/32/96/96/721329696.db2.gz NBTXUZLJCNYDMZ-AMGIVPHBSA-N 1 0 476.024 4.613 20 0 JJADRO Cc1sc2nc(CN3CCCC3)nc(N(c3cccc(C)c3)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164778395 721329791 /nfs/dbraw/zinc/32/97/91/721329791.db2.gz VCANJSAUQOSDBE-WXVAWEFUSA-N 1 0 477.678 4.871 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(C(C)(C)C)sc43)C2)C1 ZINC001164779499 721341913 /nfs/dbraw/zinc/34/19/13/721341913.db2.gz UHIFSTITNSIIME-VWLOTQADSA-N 1 0 469.655 4.713 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4cccc(Cl)c43)C2)C1 ZINC001164779081 721350298 /nfs/dbraw/zinc/35/02/98/721350298.db2.gz QIXWMBPZHTYWMS-QHCPKHFHSA-N 1 0 476.408 4.660 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@H]3COCc3ccncc3)C2)nc1 ZINC001164783175 721386826 /nfs/dbraw/zinc/38/68/26/721386826.db2.gz NVEHIBIMWUZSPI-WEWMWRJBSA-N 1 0 450.627 4.616 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C3)O2)CC1 ZINC001164887683 721405096 /nfs/dbraw/zinc/40/50/96/721405096.db2.gz MEYSSLWXWJUMNR-JPYJTQIMSA-N 1 0 499.433 4.852 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C3)O2)CC1 ZINC001164890752 721433235 /nfs/dbraw/zinc/43/32/35/721433235.db2.gz FANFCXODMYHYEZ-HFZDXXHNSA-N 1 0 498.096 4.777 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c3ccccc32)cc1C ZINC001164890248 721434021 /nfs/dbraw/zinc/43/40/21/721434021.db2.gz CSMJMXNTEQUHPQ-FYBSXPHGSA-N 1 0 485.676 4.679 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164890728 721441359 /nfs/dbraw/zinc/44/13/59/721441359.db2.gz DPYQSYAUDKNMDC-BHBYDHKZSA-N 1 0 483.660 4.576 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3sc(C(C)C)cc31)CC2 ZINC001164788727 721448673 /nfs/dbraw/zinc/44/86/73/721448673.db2.gz TUNYEWGNAODHMG-HXUWFJFHSA-N 1 0 458.672 4.549 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164788593 721452063 /nfs/dbraw/zinc/45/20/63/721452063.db2.gz RQNJALQUXNEWDE-GOSISDBHSA-N 1 0 478.411 4.667 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164786899 721457326 /nfs/dbraw/zinc/45/73/26/721457326.db2.gz OPMCBBRFFKMXPS-IBGZPJMESA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164782719 721458982 /nfs/dbraw/zinc/45/89/82/721458982.db2.gz BDBPKUIUTVKXTH-SFHVURJKSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164785732 721460395 /nfs/dbraw/zinc/46/03/95/721460395.db2.gz NERJVFGOUDLDMN-QFIPXVFZSA-N 1 0 471.045 4.531 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](NC(=O)NC)c4cc(C)ccc43)CC2)nc1 ZINC001164900942 721493026 /nfs/dbraw/zinc/49/30/26/721493026.db2.gz SPWSRZSYPKUZSK-RPBOFIJWSA-N 1 0 461.654 4.849 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164795485 721500122 /nfs/dbraw/zinc/50/01/22/721500122.db2.gz IVCOXRDWVXZLBL-UHFFFAOYSA-N 1 0 450.590 4.968 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)CC2 ZINC001164796623 721504077 /nfs/dbraw/zinc/50/40/77/721504077.db2.gz UQRZMSRKUAWYMU-UHFFFAOYSA-N 1 0 479.959 4.648 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164809569 721546416 /nfs/dbraw/zinc/54/64/16/721546416.db2.gz VLHDCFCTQTWYRL-JIMJEQGWSA-N 1 0 451.574 4.560 20 0 JJADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@@H+]3C2)c1 ZINC001164911937 721547989 /nfs/dbraw/zinc/54/79/89/721547989.db2.gz XORSCQCUODHQEA-AZGAKELHSA-N 1 0 475.564 4.665 20 0 JJADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[N@@H+]3C2)c1 ZINC001164906586 721553826 /nfs/dbraw/zinc/55/38/26/721553826.db2.gz KDFXYNJRRHPSJX-MJGOQNOKSA-N 1 0 458.896 4.542 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(OCc3ccccc3)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164801143 721571983 /nfs/dbraw/zinc/57/19/83/721571983.db2.gz GJQBIIOKPPQPMG-GVAUOCQISA-N 1 0 464.997 4.577 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164810783 721577987 /nfs/dbraw/zinc/57/79/87/721577987.db2.gz WEIVLNVKZTZMKV-CYXNTTPDSA-N 1 0 469.564 4.699 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164799363 721579486 /nfs/dbraw/zinc/57/94/86/721579486.db2.gz AZDFUEPYWXJBGJ-WXFUMESZSA-N 1 0 457.603 4.622 20 0 JJADRO Fc1cc2nc(Cl)c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2cc1F ZINC001164907482 721698791 /nfs/dbraw/zinc/69/87/91/721698791.db2.gz UERXQCCKKPZUHS-OAQYLSRUSA-N 1 0 465.882 4.694 20 0 JJADRO CCOc1cc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2cc1OCC ZINC001164908134 721705771 /nfs/dbraw/zinc/70/57/71/721705771.db2.gz VWQXHTYAVYYGKS-VWLOTQADSA-N 1 0 483.563 4.560 20 0 JJADRO FC1(F)CCN(c2ncnc3c2ccn3Cc2ccccc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908058 721709227 /nfs/dbraw/zinc/70/92/27/721709227.db2.gz UXQMTMKTVCGFLX-AREMUKBSSA-N 1 0 474.559 4.612 20 0 JJADRO FC1(F)CCN(c2ncnc3c2ccn3Cc2ccccc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908061 721709899 /nfs/dbraw/zinc/70/98/99/721709899.db2.gz UXQMTMKTVCGFLX-SANMLTNESA-N 1 0 474.559 4.612 20 0 JJADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908779 721713277 /nfs/dbraw/zinc/71/32/77/721713277.db2.gz ZCGLNZSKGNJZQF-NRFANRHFSA-N 1 0 479.909 4.961 20 0 JJADRO FC1(F)CCN(c2cccc(OCc3ccccc3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907284 721717571 /nfs/dbraw/zinc/71/75/71/721717571.db2.gz QKWOMYXQSVBGRW-RUZDIDTESA-N 1 0 450.533 4.793 20 0 JJADRO COC(=O)c1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164904238 721722171 /nfs/dbraw/zinc/72/21/71/721722171.db2.gz AUWXUEUYWZMUQX-HHHXNRCGSA-N 1 0 492.570 4.976 20 0 JJADRO CCc1nc2sc3c(c2c(N2CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907761 721722968 /nfs/dbraw/zinc/72/29/68/721722968.db2.gz TZSCZLNJFVRIPO-XMMPIXPASA-N 1 0 469.605 4.875 20 0 JJADRO FC1(F)CCN(c2ncccc2OCc2ccccc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906972 721723470 /nfs/dbraw/zinc/72/34/70/721723470.db2.gz PDGFGXWCTZHUGC-RUZDIDTESA-N 1 0 450.533 4.793 20 0 JJADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164910624 721726700 /nfs/dbraw/zinc/72/67/00/721726700.db2.gz GZWOLFFFQHSMIA-OAQYLSRUSA-N 1 0 479.909 4.961 20 0 JJADRO FC1(F)CCN(c2cc(-c3cccc(Cl)c3)ncn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911836 721726892 /nfs/dbraw/zinc/72/68/92/721726892.db2.gz KWDARJNECRUKEV-QHCPKHFHSA-N 1 0 455.940 4.930 20 0 JJADRO FC1(F)CCN(c2cc(SCc3ccccc3)ncn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912689 721732072 /nfs/dbraw/zinc/73/20/72/721732072.db2.gz PLRIYWPNGVAWKB-DEOSSOPVSA-N 1 0 467.589 4.902 20 0 JJADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913098 721735355 /nfs/dbraw/zinc/73/53/55/721735355.db2.gz SNNOIWZXHHHVID-SFHVURJKSA-N 1 0 479.305 4.946 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164910602 721737996 /nfs/dbraw/zinc/73/79/96/721737996.db2.gz GTKCYYNZDIKEFR-OAQYLSRUSA-N 1 0 468.926 4.901 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164910600 721738855 /nfs/dbraw/zinc/73/88/55/721738855.db2.gz GTKCYYNZDIKEFR-NRFANRHFSA-N 1 0 468.926 4.901 20 0 JJADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccc(F)cc3)nc3cc(Cl)ccc32)CC1 ZINC001165009568 721740334 /nfs/dbraw/zinc/74/03/34/721740334.db2.gz FXDMNEUOPLQAFJ-UHFFFAOYSA-N 1 0 482.003 4.612 20 0 JJADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165014762 721767201 /nfs/dbraw/zinc/76/72/01/721767201.db2.gz IKTJLAJHPIPIDO-UHFFFAOYSA-N 1 0 458.852 4.578 20 0 JJADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165017600 721768124 /nfs/dbraw/zinc/76/81/24/721768124.db2.gz RUYAJDSHSXATQF-UHFFFAOYSA-N 1 0 472.908 4.882 20 0 JJADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015994 721768288 /nfs/dbraw/zinc/76/82/88/721768288.db2.gz VBFLWOCXEUFEOK-UHFFFAOYSA-N 1 0 473.867 4.883 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164914721 721803331 /nfs/dbraw/zinc/80/33/31/721803331.db2.gz FALIAIAXUYYIEJ-ZJSXRUAMSA-N 1 0 456.585 4.551 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164914716 721803361 /nfs/dbraw/zinc/80/33/61/721803361.db2.gz FALIAIAXUYYIEJ-URXFXBBRSA-N 1 0 456.585 4.551 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@@H]21 ZINC001165018818 721805519 /nfs/dbraw/zinc/80/55/19/721805519.db2.gz CKBXYFVIUIHVAN-GTCCEBARSA-N 1 0 457.956 4.960 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1Cl ZINC001165019656 721806172 /nfs/dbraw/zinc/80/61/72/721806172.db2.gz DQKJHWTZLIKQEF-SNRMKQJTSA-N 1 0 463.409 4.697 20 0 JJADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026857 721810813 /nfs/dbraw/zinc/81/08/13/721810813.db2.gz RTWJNIDWHMDGJN-UCNVEGJOSA-N 1 0 480.012 4.592 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)C[C@H]21 ZINC001165026803 721813645 /nfs/dbraw/zinc/81/36/45/721813645.db2.gz RFZAWXFWZDMAGZ-YMPZKCBVSA-N 1 0 464.013 4.841 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)C[C@@H]21 ZINC001165029379 721815001 /nfs/dbraw/zinc/81/50/01/721815001.db2.gz YUJJWTWWKWFPIW-UCGXPXSYSA-N 1 0 452.606 4.612 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165030553 721820619 /nfs/dbraw/zinc/82/06/19/721820619.db2.gz ZTSWBXLACAFKEK-HYVNUMGLSA-N 1 0 456.368 4.546 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165030551 721820936 /nfs/dbraw/zinc/82/09/36/721820936.db2.gz ZTSWBXLACAFKEK-BHYGNILZSA-N 1 0 456.368 4.546 20 0 JJADRO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165025134 721822177 /nfs/dbraw/zinc/82/21/77/721822177.db2.gz LTYSAGWXNUFFNO-ZEYPLWLESA-N 1 0 480.012 4.592 20 0 JJADRO COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2C)cc1 ZINC001165030541 721822202 /nfs/dbraw/zinc/82/22/02/721822202.db2.gz ZRNMBAMAHNARFF-YGPDHOBYSA-N 1 0 470.617 4.976 20 0 JJADRO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165025130 721822317 /nfs/dbraw/zinc/82/23/17/721822317.db2.gz LTYSAGWXNUFFNO-HARLFGEKSA-N 1 0 480.012 4.592 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@H]21 ZINC001165030144 721822557 /nfs/dbraw/zinc/82/25/57/721822557.db2.gz YBECQEFYVHOVNL-HMXCVIKNSA-N 1 0 484.982 4.869 20 0 JJADRO Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)o2)cc1 ZINC001165023182 721825004 /nfs/dbraw/zinc/82/50/04/721825004.db2.gz IGRTVSWSVYDKLS-MDNUFGMLSA-N 1 0 454.578 4.725 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@@H]21 ZINC001165026732 721825623 /nfs/dbraw/zinc/82/56/23/721825623.db2.gz PWLWYZKOQDORAS-LKUPVBHCSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccccn4)nc4sccc43)C[C@H]21 ZINC001165024131 721828818 /nfs/dbraw/zinc/82/88/18/721828818.db2.gz JTBPHZWNGLBXIM-JMUQELJHSA-N 1 0 456.619 4.885 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccccn4)nc4sccc43)C[C@@H]21 ZINC001165024140 721828931 /nfs/dbraw/zinc/82/89/31/721828931.db2.gz JTBPHZWNGLBXIM-RZFNWQHOSA-N 1 0 456.619 4.885 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C[C@@H]21 ZINC001165022254 721829574 /nfs/dbraw/zinc/82/95/74/721829574.db2.gz GVCCNCBUQPCALS-PIPMEXSNSA-N 1 0 457.018 4.822 20 0 JJADRO CCOC(=O)C1(F)CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CC1 ZINC001165017331 721834647 /nfs/dbraw/zinc/83/46/47/721834647.db2.gz KHJYDVVKYBPVRU-UHFFFAOYSA-N 1 0 488.003 4.628 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3oc(-c4ccc(C)cc4)nc32)CC1 ZINC001165022063 721843899 /nfs/dbraw/zinc/84/38/99/721843899.db2.gz ORSIEWLOUYZQQV-UHFFFAOYSA-N 1 0 473.577 4.711 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(-c3ccncc3)nc3sccc32)CC1 ZINC001165030302 721844723 /nfs/dbraw/zinc/84/47/23/721844723.db2.gz HIOWYAXFKKGEOB-UHFFFAOYSA-N 1 0 475.618 4.871 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccnc(CSc3ccccc3)n2)CC1 ZINC001165030233 721845269 /nfs/dbraw/zinc/84/52/69/721845269.db2.gz FQTQFEKTMTTXAD-UHFFFAOYSA-N 1 0 464.635 4.887 20 0 JJADRO COc1cc(Oc2ccnc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2)ccc1OCc1ccccc1 ZINC001164925965 721874249 /nfs/dbraw/zinc/87/42/49/721874249.db2.gz PHVZCFDGWSSWRJ-IZZNHLLZSA-N 1 0 488.632 4.676 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933506 721879150 /nfs/dbraw/zinc/87/91/50/721879150.db2.gz MKMDVYMTMLRVHK-RPWUZVMVSA-N 1 0 490.721 4.559 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934409 721879787 /nfs/dbraw/zinc/87/97/87/721879787.db2.gz RLNLGODVTXKLMM-LEWJYISDSA-N 1 0 479.719 4.687 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934426 721884463 /nfs/dbraw/zinc/88/44/63/721884463.db2.gz RPEBISLUDVGJGW-FGZHOGPDSA-N 1 0 456.421 4.818 20 0 JJADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929273 721889820 /nfs/dbraw/zinc/88/98/20/721889820.db2.gz AZJHOZUYSDWYAU-VXKWHMMOSA-N 1 0 471.983 4.710 20 0 JJADRO COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164963993 722024664 /nfs/dbraw/zinc/02/46/64/722024664.db2.gz UXPVYERAORLROV-UHFFFAOYSA-N 1 0 465.985 4.818 20 0 JJADRO Cc1ccc(N2C[C@@]3(CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C3)CC2=O)s1 ZINC001164964963 722043908 /nfs/dbraw/zinc/04/39/08/722043908.db2.gz WMXKYLITCDHAFB-MHZLTWQESA-N 1 0 458.631 4.643 20 0 JJADRO Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)CC2=O)s1 ZINC001164964991 722044696 /nfs/dbraw/zinc/04/46/96/722044696.db2.gz WWBBSGKOCDKJJO-QFIPXVFZSA-N 1 0 478.996 4.660 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)c2c1C ZINC001164958826 722051311 /nfs/dbraw/zinc/05/13/11/722051311.db2.gz GWONTMDLHPHMOK-DNRQZRRGSA-N 1 0 492.693 4.594 20 0 JJADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164962205 722059257 /nfs/dbraw/zinc/05/92/57/722059257.db2.gz PSLZWOHQZWNDQP-UHFFFAOYSA-N 1 0 483.975 4.575 20 0 JJADRO Fc1ccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164962540 722059696 /nfs/dbraw/zinc/05/96/96/722059696.db2.gz UADMZTGTPSFTSA-UHFFFAOYSA-N 1 0 483.591 4.950 20 0 JJADRO c1cc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cs1 ZINC001164960678 722059887 /nfs/dbraw/zinc/05/98/87/722059887.db2.gz HALJGVWNNFQCDO-UHFFFAOYSA-N 1 0 471.630 4.872 20 0 JJADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985814 722108031 /nfs/dbraw/zinc/10/80/31/722108031.db2.gz WYSXCJSIYBEZLO-RXFWQSSRSA-N 1 0 487.554 4.697 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164982862 722108409 /nfs/dbraw/zinc/10/84/09/722108409.db2.gz PNKVMCYRRVTBTD-CUNXSJBXSA-N 1 0 499.590 4.567 20 0 JJADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973358 722110093 /nfs/dbraw/zinc/11/00/93/722110093.db2.gz HDGWZCVVLMOHAI-OXQOHEQNSA-N 1 0 494.373 4.604 20 0 JJADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973188 722123629 /nfs/dbraw/zinc/12/36/29/722123629.db2.gz GWCOSTLKSQNVOC-JXFKEZNVSA-N 1 0 494.373 4.604 20 0 JJADRO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975190 722130919 /nfs/dbraw/zinc/13/09/19/722130919.db2.gz FKCAVJHFHPOTAZ-DENIHFKCSA-N 1 0 458.940 4.555 20 0 JJADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984227 722133093 /nfs/dbraw/zinc/13/30/93/722133093.db2.gz WOSZHYHGVHAJTD-AVRDEDQJSA-N 1 0 458.940 4.555 20 0 JJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973419 722137611 /nfs/dbraw/zinc/13/76/11/722137611.db2.gz CDQAKWSADZUXQM-RHSMWYFYSA-N 1 0 477.770 4.709 20 0 JJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973425 722138012 /nfs/dbraw/zinc/13/80/12/722138012.db2.gz CDQAKWSADZUXQM-YOEHRIQHSA-N 1 0 477.770 4.709 20 0 JJADRO Fc1ccc(-c2nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164982791 722141739 /nfs/dbraw/zinc/14/17/39/722141739.db2.gz SRWHFFAWBRVICC-ATIYNZHBSA-N 1 0 469.564 4.558 20 0 JJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976028 722148720 /nfs/dbraw/zinc/14/87/20/722148720.db2.gz GLEVAGWYHYPRJR-DENIHFKCSA-N 1 0 458.940 4.555 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164972461 722157979 /nfs/dbraw/zinc/15/79/79/722157979.db2.gz HXNYTNOBIHAFRX-QPPBQGQZSA-N 1 0 499.993 4.773 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972119 722159150 /nfs/dbraw/zinc/15/91/50/722159150.db2.gz FRXVGZYVRVOGBR-PGRDOPGGSA-N 1 0 474.939 4.662 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971572 722159157 /nfs/dbraw/zinc/15/91/57/722159157.db2.gz BSTRDMCODGEIMK-WMZHIEFXSA-N 1 0 476.999 4.671 20 0 JJADRO O=C(c1cc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1)N1CCCCC1 ZINC001164993852 722195797 /nfs/dbraw/zinc/19/57/97/722195797.db2.gz IFLNQEVRXIVCOM-RUZDIDTESA-N 1 0 456.993 4.745 20 0 JJADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995975 722205204 /nfs/dbraw/zinc/20/52/04/722205204.db2.gz QZFQXTIHYDYBJH-KUKSINHOSA-N 1 0 494.611 4.636 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(C3CC3)nc3scc(-c4ccccc4)c31)CCC2 ZINC001165003425 722257006 /nfs/dbraw/zinc/25/70/06/722257006.db2.gz CLOVHNFKCMIKBJ-UHFFFAOYSA-N 1 0 488.661 4.921 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CCC2 ZINC001165004157 722257669 /nfs/dbraw/zinc/25/76/69/722257669.db2.gz OISJPVDQJBPWTQ-UHFFFAOYSA-N 1 0 491.970 4.512 20 0 JJADRO CC(C)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359715524 1064263744 /nfs/dbraw/zinc/26/37/44/1064263744.db2.gz CUMUSNSNHPEMCI-HXUWFJFHSA-N 1 0 460.617 4.661 20 0 JJADRO CC(C)c1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359715782 1064264709 /nfs/dbraw/zinc/26/47/09/1064264709.db2.gz LHVOQEYTARDAGO-MRXNPFEDSA-N 1 0 484.998 4.883 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001545857241 1064265860 /nfs/dbraw/zinc/26/58/60/1064265860.db2.gz RYZUKNUVRLBINL-YADARESESA-N 1 0 466.674 4.788 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001545857239 1064265906 /nfs/dbraw/zinc/26/59/06/1064265906.db2.gz RYZUKNUVRLBINL-DVECYGJZSA-N 1 0 466.674 4.788 20 0 JJADRO CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001359719048 1064266360 /nfs/dbraw/zinc/26/63/60/1064266360.db2.gz AHZGEWYXUZVJND-FQEVSTJZSA-N 1 0 478.607 4.509 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545858939 1064267010 /nfs/dbraw/zinc/26/70/10/1064267010.db2.gz ABSNSDZGTLXWRM-QZTJIDSGSA-N 1 0 498.638 4.652 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001545859532 1064268061 /nfs/dbraw/zinc/26/80/61/1064268061.db2.gz OLKRMDMNRZLMLU-QPTUXGOLSA-N 1 0 466.674 4.658 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001359720329 1064268184 /nfs/dbraw/zinc/26/81/84/1064268184.db2.gz OGHKIINORKLVKS-UHFFFAOYSA-N 1 0 479.572 4.617 20 0 JJADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccccc1NC(=O)c1ccccc1Br ZINC001545864849 1064272488 /nfs/dbraw/zinc/27/24/88/1064272488.db2.gz FWBLYCAIIUQGKP-MRXNPFEDSA-N 1 0 458.400 4.504 20 0 JJADRO CC(C)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359724714 1064272567 /nfs/dbraw/zinc/27/25/67/1064272567.db2.gz SQZUYVPRLDWITN-VXKWHMMOSA-N 1 0 453.656 4.604 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001545867433 1064276624 /nfs/dbraw/zinc/27/66/24/1064276624.db2.gz BPYGJFORNGLDGH-FCHUYYIVSA-N 1 0 472.722 4.581 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001359728660 1064276733 /nfs/dbraw/zinc/27/67/33/1064276733.db2.gz IHUNWYOYZWICON-FQEVSTJZSA-N 1 0 490.490 4.691 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001545868088 1064278560 /nfs/dbraw/zinc/27/85/60/1064278560.db2.gz LRCFJKDSUUZMMQ-CVDCTZTESA-N 1 0 484.664 4.655 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2CC)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001545868455 1064279906 /nfs/dbraw/zinc/27/99/06/1064279906.db2.gz QQFVGLUFRAZPQV-WMZHIEFXSA-N 1 0 486.730 4.795 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870220 1064282564 /nfs/dbraw/zinc/28/25/64/1064282564.db2.gz IXHYMZVWAOIYJJ-QHAWAJNXSA-N 1 0 484.689 4.540 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001545870302 1064283445 /nfs/dbraw/zinc/28/34/45/1064283445.db2.gz KYGACAFBBVNXNL-ZCYQVOJMSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3)[C@@H]2C)n1CCC1CC[NH+](CC)CC1 ZINC001545870414 1064284121 /nfs/dbraw/zinc/28/41/21/1064284121.db2.gz NHVQRGCYVIEOQU-SQJMNOBHSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cccc(F)c3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870844 1064286477 /nfs/dbraw/zinc/28/64/77/1064286477.db2.gz YAAUGIXMRGZRQJ-FUPPJEDESA-N 1 0 498.691 4.698 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001545870897 1064286596 /nfs/dbraw/zinc/28/65/96/1064286596.db2.gz ZCXIPPJXZFVUMC-JOCHJYFZSA-N 1 0 480.701 4.701 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359733398 1064290490 /nfs/dbraw/zinc/29/04/90/1064290490.db2.gz XXYSDQVKODLFPO-JOCHJYFZSA-N 1 0 487.092 4.608 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001545874383 1064290587 /nfs/dbraw/zinc/29/05/87/1064290587.db2.gz PQWNAUXHCWPFEX-GOSISDBHSA-N 1 0 486.627 4.630 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001545875817 1064292882 /nfs/dbraw/zinc/29/28/82/1064292882.db2.gz HLNDORMJMWKVRK-PMVMPFDFSA-N 1 0 490.712 4.816 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C1CC(C(C)(C)C)C1 ZINC001545876290 1064292964 /nfs/dbraw/zinc/29/29/64/1064292964.db2.gz WNHLRMAHDOASGW-VRKFHHGPSA-N 1 0 458.695 4.506 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001545879174 1064294727 /nfs/dbraw/zinc/29/47/27/1064294727.db2.gz NVXNANSSVMWHQN-HXUWFJFHSA-N 1 0 484.664 4.594 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c2cccc(Br)c21 ZINC001545880113 1064295233 /nfs/dbraw/zinc/29/52/33/1064295233.db2.gz QIBKCWOGAWSAEN-KRWDZBQOSA-N 1 0 456.384 4.763 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC001545879734 1064295423 /nfs/dbraw/zinc/29/54/23/1064295423.db2.gz FBUNKHMGVBHFCC-VWLOTQADSA-N 1 0 457.574 4.771 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC001545879733 1064295554 /nfs/dbraw/zinc/29/55/54/1064295554.db2.gz FBUNKHMGVBHFCC-RUZDIDTESA-N 1 0 457.574 4.771 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC001545880034 1064295578 /nfs/dbraw/zinc/29/55/78/1064295578.db2.gz NNENBAINZCPKLM-OAQYLSRUSA-N 1 0 453.583 4.705 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC001545880141 1064295792 /nfs/dbraw/zinc/29/57/92/1064295792.db2.gz RGYPCRYWPDMKMK-ICSRJNTNSA-N 1 0 452.624 4.576 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359737576 1064298481 /nfs/dbraw/zinc/29/84/81/1064298481.db2.gz APDDTJQZKFDPEJ-ACRUOGEOSA-N 1 0 486.661 4.871 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@H+](C)C(C)C ZINC001359737622 1064299691 /nfs/dbraw/zinc/29/96/91/1064299691.db2.gz BVWWERPXDNXPLJ-SFTDATJTSA-N 1 0 462.683 4.705 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1CC[NH+]1CCCCC1 ZINC001359738159 1064301270 /nfs/dbraw/zinc/30/12/70/1064301270.db2.gz ONPIDOLSKZRWLM-OAQYLSRUSA-N 1 0 476.463 4.730 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001545885242 1064301642 /nfs/dbraw/zinc/30/16/42/1064301642.db2.gz QMGVLTKVLYXDQD-FQEVSTJZSA-N 1 0 494.675 4.867 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001545885243 1064301889 /nfs/dbraw/zinc/30/18/89/1064301889.db2.gz QMGVLTKVLYXDQD-HXUWFJFHSA-N 1 0 494.675 4.867 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1CCC[NH+]1CCCC1 ZINC001359738586 1064302563 /nfs/dbraw/zinc/30/25/63/1064302563.db2.gz YNTHXVNDGMYVOB-OAQYLSRUSA-N 1 0 476.463 4.730 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001359738960 1064304643 /nfs/dbraw/zinc/30/46/43/1064304643.db2.gz HYXADLVKNCKPOK-LAUBAEHRSA-N 1 0 489.437 4.960 20 0 JJADRO CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCOCC1 ZINC001359739627 1064308593 /nfs/dbraw/zinc/30/85/93/1064308593.db2.gz ZILNWLFRBZGJBE-QHCPKHFHSA-N 1 0 460.066 4.828 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001359740113 1064309049 /nfs/dbraw/zinc/30/90/49/1064309049.db2.gz MOTARBZFGSABTJ-JXFKEZNVSA-N 1 0 464.427 4.669 20 0 JJADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001434880342 1064312351 /nfs/dbraw/zinc/31/23/51/1064312351.db2.gz CBBSMMPXFUXMRL-DENIHFKCSA-N 1 0 451.014 4.945 20 0 JJADRO CC(C)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001359743632 1064314249 /nfs/dbraw/zinc/31/42/49/1064314249.db2.gz OPTZGDXTKJRMDU-JOCHJYFZSA-N 1 0 457.569 4.915 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001359746658 1064325105 /nfs/dbraw/zinc/32/51/05/1064325105.db2.gz KUZGIHUBDXCZKV-OAQYLSRUSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C2CC2)[NH+](C)C)CCS1 ZINC001359747468 1064328357 /nfs/dbraw/zinc/32/83/57/1064328357.db2.gz CCMKCNDYSGMBLE-UXHICEINSA-N 1 0 452.043 4.656 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H](C)[NH+](C)C)CCS1 ZINC001359747607 1064329647 /nfs/dbraw/zinc/32/96/47/1064329647.db2.gz FJDKZQKNAFUZDE-AUSIDOKSSA-N 1 0 469.655 4.645 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CC=CCC2)CCS1 ZINC001359748464 1064334799 /nfs/dbraw/zinc/33/47/99/1064334799.db2.gz WDJMMLXXHHGTIX-QGZVFWFLSA-N 1 0 482.517 4.609 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC001359748462 1064334921 /nfs/dbraw/zinc/33/49/21/1064334921.db2.gz WDIMCPNUKFKRIP-OAQYLSRUSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CC=CCC2)CCS1 ZINC001359748463 1064334954 /nfs/dbraw/zinc/33/49/54/1064334954.db2.gz WDJMMLXXHHGTIX-KRWDZBQOSA-N 1 0 482.517 4.609 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CCS1 ZINC001359749450 1064337144 /nfs/dbraw/zinc/33/71/44/1064337144.db2.gz RBBICGTUORKYMZ-URXFXBBRSA-N 1 0 464.683 4.829 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[N@H+](C)C(C)C)CCS1 ZINC001359750553 1064339505 /nfs/dbraw/zinc/33/95/05/1064339505.db2.gz OJSAGKUCPLACCR-JOCHJYFZSA-N 1 0 454.644 4.518 20 0 JJADRO Cc1nn(-c2ccc(C(=O)N3CC[NH+](CC4CCCCC4)CC3)cc2)c(C)c1Br ZINC001434916480 1064343317 /nfs/dbraw/zinc/34/33/17/1064343317.db2.gz WKMUQKOFHQRKCE-UHFFFAOYSA-N 1 0 459.432 4.590 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[C@H](C)[NH+]2CCCCC2)CCS1 ZINC001359754072 1064344521 /nfs/dbraw/zinc/34/45/21/1064344521.db2.gz XKSVQEJXQWHXNR-REWPJTCUSA-N 1 0 459.679 4.850 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@H+](C)C2CCCCC2)CCO1 ZINC001359754930 1064345806 /nfs/dbraw/zinc/34/58/06/1064345806.db2.gz OTEYYUFVHKANDT-VWLOTQADSA-N 1 0 453.675 4.579 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC[C@H](C)[NH+]2CCCCC2)CCS1 ZINC001359755132 1064347209 /nfs/dbraw/zinc/34/72/09/1064347209.db2.gz SYJZGZSRCWOCPL-LADGPHEKSA-N 1 0 471.715 4.742 20 0 JJADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001434920584 1064347899 /nfs/dbraw/zinc/34/78/99/1064347899.db2.gz MQHUEWABRVHPCJ-UHFFFAOYSA-N 1 0 458.477 4.999 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001434920461 1064348126 /nfs/dbraw/zinc/34/81/26/1064348126.db2.gz LQUMSQATVKNVMC-CYBMUJFWSA-N 1 0 459.434 4.756 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC001434921091 1064348708 /nfs/dbraw/zinc/34/87/08/1064348708.db2.gz NVEQKDWQWINTAX-NFBGWVBBSA-N 1 0 455.521 4.939 20 0 JJADRO CCCO[C@H](C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)c1ccc(F)cc1C ZINC001434922514 1064350353 /nfs/dbraw/zinc/35/03/53/1064350353.db2.gz STYKYSZPDORKGE-CLOONOSVSA-N 1 0 459.581 4.760 20 0 JJADRO CCCO[C@@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)c1ccc(F)cc1C ZINC001434922548 1064350423 /nfs/dbraw/zinc/35/04/23/1064350423.db2.gz STYKYSZPDORKGE-UQBPGWFLSA-N 1 0 459.581 4.760 20 0 JJADRO CCCO[C@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)c1ccc(F)cc1C ZINC001434922544 1064350454 /nfs/dbraw/zinc/35/04/54/1064350454.db2.gz STYKYSZPDORKGE-DFBJGRDBSA-N 1 0 459.581 4.760 20 0 JJADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCS1 ZINC001359755778 1064351048 /nfs/dbraw/zinc/35/10/48/1064351048.db2.gz GKYFCXNVMBPQOT-WBADGQHESA-N 1 0 477.763 4.895 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCS1 ZINC001359755775 1064351119 /nfs/dbraw/zinc/35/11/19/1064351119.db2.gz GKYFCXNVMBPQOT-BXXSPATCSA-N 1 0 477.763 4.895 20 0 JJADRO C[NH+](C)CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 ZINC001434924871 1064352999 /nfs/dbraw/zinc/35/29/99/1064352999.db2.gz QGXYGXISLJTYTR-UHFFFAOYSA-N 1 0 457.603 4.621 20 0 JJADRO CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359761422 1064371602 /nfs/dbraw/zinc/37/16/02/1064371602.db2.gz HFEUZBBQDXFXIS-UGKGYDQZSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359761420 1064371807 /nfs/dbraw/zinc/37/18/07/1064371807.db2.gz HFEUZBBQDXFXIS-KNQAVFIVSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)[C@@H]1OCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359763285 1064378817 /nfs/dbraw/zinc/37/88/17/1064378817.db2.gz IDRWZCOLZQBVGY-BDYUSTAISA-N 1 0 467.702 4.825 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+](C)C ZINC001359764458 1064383896 /nfs/dbraw/zinc/38/38/96/1064383896.db2.gz BHALRDKTQLHHAM-PXNSSMCTSA-N 1 0 478.479 4.688 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2oncc2C1)[NH+](C)C ZINC001359764943 1064386038 /nfs/dbraw/zinc/38/60/38/1064386038.db2.gz MOHCBJUMSXAKHZ-XLIONFOSSA-N 1 0 473.021 4.599 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001359765194 1064386835 /nfs/dbraw/zinc/38/68/35/1064386835.db2.gz ROJSVCDNFFQUBW-IRLDBZIGSA-N 1 0 473.637 4.683 20 0 JJADRO CC(C)C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001359765444 1064387490 /nfs/dbraw/zinc/38/74/90/1064387490.db2.gz WUIKJDFSUBXGOE-UNMCSNQZSA-N 1 0 489.108 4.710 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1nccs1)[NH+](C)C ZINC001359765633 1064388267 /nfs/dbraw/zinc/38/82/67/1064388267.db2.gz ZWCYMUGUWOPQSH-SFHVURJKSA-N 1 0 477.476 4.777 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(Cl)nc2C1)[NH+](C)C ZINC001359766267 1064391056 /nfs/dbraw/zinc/39/10/56/1064391056.db2.gz KLVVWHIFJHZYCV-GOSISDBHSA-N 1 0 474.440 4.581 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccon1)[NH+](C)C ZINC001359766185 1064391103 /nfs/dbraw/zinc/39/11/03/1064391103.db2.gz JBULFYRQWXHDNQ-XLIONFOSSA-N 1 0 456.660 4.732 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+](C)C ZINC001359766595 1064392534 /nfs/dbraw/zinc/39/25/34/1064392534.db2.gz QCCULBDTWSEKKZ-FXAWDEMLSA-N 1 0 487.014 4.648 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1)[NH+](C)C ZINC001359766452 1064392553 /nfs/dbraw/zinc/39/25/53/1064392553.db2.gz NVLQGAKXIXVPTQ-SFGWALBWSA-N 1 0 464.029 4.719 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC(C)C)C(C)C)[NH+](C)C ZINC001359766472 1064392798 /nfs/dbraw/zinc/39/27/98/1064392798.db2.gz OGABKZVHULSZAD-SFHVURJKSA-N 1 0 453.473 4.883 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(Oc2ncccc2F)CC1)[NH+](C)C ZINC001359766428 1064392811 /nfs/dbraw/zinc/39/28/11/1064392811.db2.gz NPXCZTWSYLWUCV-OAQYLSRUSA-N 1 0 466.605 4.503 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC001359766856 1064394482 /nfs/dbraw/zinc/39/44/82/1064394482.db2.gz VZPLEXOFTZIMGK-FPOVZHCZSA-N 1 0 455.647 4.565 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)[NH+](C)C ZINC001359766970 1064395361 /nfs/dbraw/zinc/39/53/61/1064395361.db2.gz YAXDUGWSUBEDBO-HJNYFJLDSA-N 1 0 490.490 4.689 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CCCO)CC1)[NH+](C)C ZINC001359766994 1064395377 /nfs/dbraw/zinc/39/53/77/1064395377.db2.gz YIYNLICYHTYMSS-QFIPXVFZSA-N 1 0 453.631 4.657 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)[NH+](C)C ZINC001359767969 1064397021 /nfs/dbraw/zinc/39/70/21/1064397021.db2.gz QWNVBDPKIKWVIA-IBGZPJMESA-N 1 0 472.584 4.576 20 0 JJADRO C[C@@H](NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434980505 1064397429 /nfs/dbraw/zinc/39/74/29/1064397429.db2.gz SYZLRIGYYQBMGP-MRXNPFEDSA-N 1 0 451.508 4.751 20 0 JJADRO Cc1c(Br)scc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001434981849 1064397955 /nfs/dbraw/zinc/39/79/55/1064397955.db2.gz YYKLBQBMLBVAOM-UHFFFAOYSA-N 1 0 450.402 4.886 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCC1)[NH+](C)C ZINC001359768919 1064398662 /nfs/dbraw/zinc/39/86/62/1064398662.db2.gz HOHWGOQPNFFIRV-JOCHJYFZSA-N 1 0 476.710 4.605 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(Br)ccc2C1)[NH+](C)C ZINC001359768634 1064398740 /nfs/dbraw/zinc/39/87/40/1064398740.db2.gz CMMHQKANPDUHDN-YADHBBJMSA-N 1 0 490.490 4.821 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC1(C)C)[NH+](C)C ZINC001359768744 1064398819 /nfs/dbraw/zinc/39/88/19/1064398819.db2.gz FHXOSRKOFBKUGF-OAQYLSRUSA-N 1 0 476.710 4.748 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001359769173 1064399147 /nfs/dbraw/zinc/39/91/47/1064399147.db2.gz LWRAPIHEJDRVJG-CEWLAPEOSA-N 1 0 496.469 4.668 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1)[NH+](C)C ZINC001359769147 1064399207 /nfs/dbraw/zinc/39/92/07/1064399207.db2.gz LHSHKDBYTUAAFO-BHDDXSALSA-N 1 0 476.710 4.605 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@H]1C)[NH+](C)C ZINC001359769321 1064399253 /nfs/dbraw/zinc/39/92/53/1064399253.db2.gz NTEZBJLNYLHLIV-SSGKUCQKSA-N 1 0 490.737 4.994 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001359769528 1064399270 /nfs/dbraw/zinc/39/92/70/1064399270.db2.gz QSAXBSFPXIPQRB-HOTGVXAUSA-N 1 0 485.517 4.817 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)[NH+](C)C ZINC001359769726 1064400075 /nfs/dbraw/zinc/40/00/75/1064400075.db2.gz UDYUUZPLUBLHBT-JRFVFWCSSA-N 1 0 485.648 4.734 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)[NH+](C)C ZINC001359769987 1064400897 /nfs/dbraw/zinc/40/08/97/1064400897.db2.gz XMKPSSRMHUYWML-VQTJNVASSA-N 1 0 481.611 4.969 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1)[NH+](C)C ZINC001359770902 1064402789 /nfs/dbraw/zinc/40/27/89/1064402789.db2.gz MZSQMGICXWGTQV-QFIPXVFZSA-N 1 0 469.674 4.648 20 0 JJADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1)[NH+](C)C ZINC001359770901 1064402881 /nfs/dbraw/zinc/40/28/81/1064402881.db2.gz MZSQMGICXWGTQV-JOCHJYFZSA-N 1 0 469.674 4.648 20 0 JJADRO CC(C)C[C@H](Cn1c(CC2CC2)nnc1N1CCc2cc(Br)ccc2C1)[NH+](C)C ZINC001359770986 1064403600 /nfs/dbraw/zinc/40/36/00/1064403600.db2.gz OLXSFNFJEZYORI-OAQYLSRUSA-N 1 0 460.464 4.532 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CO)(Cc2ccccc2)CC1)[NH+](C)C ZINC001359771285 1064404215 /nfs/dbraw/zinc/40/42/15/1064404215.db2.gz UBUIUZJHLKGIKT-DEOSSOPVSA-N 1 0 469.718 4.665 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1)[NH+](C)C ZINC001359771327 1064404349 /nfs/dbraw/zinc/40/43/49/1064404349.db2.gz UTJDTIQURBLFLU-NRFANRHFSA-N 1 0 494.688 4.672 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccccc1)[NH+](C)C ZINC001359771405 1064405141 /nfs/dbraw/zinc/40/51/41/1064405141.db2.gz WMSXBDMLYSZXDZ-QPPBQGQZSA-N 1 0 459.642 4.690 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+](C)C ZINC001359771592 1064405986 /nfs/dbraw/zinc/40/59/86/1064405986.db2.gz ZUXXMWRVAZZEMM-SFHVURJKSA-N 1 0 454.421 4.884 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCCC1(C)C)[NH+](C)C ZINC001359771680 1064405999 /nfs/dbraw/zinc/40/59/99/1064405999.db2.gz BBVVLBXBNYRHSY-LJQANCHMSA-N 1 0 478.479 4.975 20 0 JJADRO CC(C)C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCO[C@@H](C)C1)[NH+](C)C ZINC001359771940 1064406761 /nfs/dbraw/zinc/40/67/61/1064406761.db2.gz GRCRJOKZKFQPNY-ICSRJNTNSA-N 1 0 466.095 4.815 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+](C)C ZINC001359771966 1064406793 /nfs/dbraw/zinc/40/67/93/1064406793.db2.gz GZHGUAQACUJTLY-PFAUGDHASA-N 1 0 451.725 4.503 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001359771968 1064407354 /nfs/dbraw/zinc/40/73/54/1064407354.db2.gz GZHGUAQACUJTLY-WRTQPQOASA-N 1 0 451.725 4.503 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1)[NH+](C)C ZINC001359772346 1064408202 /nfs/dbraw/zinc/40/82/02/1064408202.db2.gz NUUVTTOMYKGUJX-GGAORHGYSA-N 1 0 490.092 4.740 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC001434998423 1064413701 /nfs/dbraw/zinc/41/37/01/1064413701.db2.gz SUNBUOGMMPKMQR-AOYPEHQESA-N 1 0 479.690 4.537 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359775118 1064416468 /nfs/dbraw/zinc/41/64/68/1064416468.db2.gz IVFUHBTWDSFRPJ-NHCUHLMSSA-N 1 0 453.631 4.921 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(Br)c(F)c2C)ccc1OC ZINC001435002714 1064418050 /nfs/dbraw/zinc/41/80/50/1064418050.db2.gz QFARWCSOKAFJOJ-UHFFFAOYSA-N 1 0 453.352 4.878 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC(F)(F)Br ZINC001359777284 1064420372 /nfs/dbraw/zinc/42/03/72/1064420372.db2.gz FXMCQRSYZMYNSX-IEBWSBKVSA-N 1 0 484.433 4.954 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001359777405 1064421396 /nfs/dbraw/zinc/42/13/96/1064421396.db2.gz JGEUKUAQSLEVTP-VRUIKYSZSA-N 1 0 453.675 4.781 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CCOc1ncccc1F ZINC001359777742 1064422155 /nfs/dbraw/zinc/42/21/55/1064422155.db2.gz QIOTXYGULKFDOB-FYYLOGMGSA-N 1 0 480.632 4.579 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359779218 1064425038 /nfs/dbraw/zinc/42/50/38/1064425038.db2.gz GSAUVFOARIMVJX-IAGOWNOFSA-N 1 0 498.535 4.825 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H](C)c2nccs2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001359779588 1064425978 /nfs/dbraw/zinc/42/59/78/1064425978.db2.gz QWIDAMXCKQBRRZ-UXHICEINSA-N 1 0 456.660 4.993 20 0 JJADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)c2ncoc2CCC(F)(F)F)cc1 ZINC001435017395 1064434301 /nfs/dbraw/zinc/43/43/01/1064434301.db2.gz ZCXLSRJRSSRPFE-UHFFFAOYSA-N 1 0 452.477 4.626 20 0 JJADRO CC(C)Cc1nnc(N(C)CC2CCOCC2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359784034 1064436032 /nfs/dbraw/zinc/43/60/32/1064436032.db2.gz PQWMUAKBVHKASG-DHLKQENFSA-N 1 0 453.675 4.640 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001359788954 1064444883 /nfs/dbraw/zinc/44/48/83/1064444883.db2.gz KOXONXFVFSNKAK-FTBPSBKWSA-N 1 0 453.675 4.675 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359798711 1064463280 /nfs/dbraw/zinc/46/32/80/1064463280.db2.gz NOTQVBXDFZCUFK-HNNXBMFYSA-N 1 0 469.518 4.918 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001435049930 1064467157 /nfs/dbraw/zinc/46/71/57/1064467157.db2.gz WJEOBBNVWUZEBR-KZQOYIJHSA-N 1 0 469.629 4.901 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359802882 1064471804 /nfs/dbraw/zinc/47/18/04/1064471804.db2.gz XLKVKTIIQJZMJM-CDNNERCOSA-N 1 0 453.675 4.747 20 0 JJADRO COc1ccc(-c2nsc(NC(=O)c3ccccc3OCC[N@@H+]3CCCC[C@H]3C)n2)cc1 ZINC001435054295 1064473011 /nfs/dbraw/zinc/47/30/11/1064473011.db2.gz AUTBCGNYEMJANL-QGZVFWFLSA-N 1 0 452.580 4.719 20 0 JJADRO CC(C)Cc1nnc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1CC[N@H+](C)C(C)C ZINC001359806003 1064476330 /nfs/dbraw/zinc/47/63/30/1064476330.db2.gz PSPUSGIAGOJERJ-UHFFFAOYSA-N 1 0 459.038 4.995 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001359808067 1064478883 /nfs/dbraw/zinc/47/88/83/1064478883.db2.gz HWNCQXXBYSQQEB-VWLOTQADSA-N 1 0 459.704 4.538 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001359808066 1064479120 /nfs/dbraw/zinc/47/91/20/1064479120.db2.gz HWNCQXXBYSQQEB-RUZDIDTESA-N 1 0 459.704 4.538 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@](C)(O)c1cccs1 ZINC001359808876 1064481621 /nfs/dbraw/zinc/48/16/21/1064481621.db2.gz YVCGHSDQTZRVNT-RLWLMLJZSA-N 1 0 473.731 4.927 20 0 JJADRO Cc1cc(Br)ccc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001435063991 1064482557 /nfs/dbraw/zinc/48/25/57/1064482557.db2.gz NISRYWCEBJWWSQ-UHFFFAOYSA-N 1 0 457.334 4.909 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001435064047 1064483590 /nfs/dbraw/zinc/48/35/90/1064483590.db2.gz HTYKBJPJWOWOQX-UHFFFAOYSA-N 1 0 453.411 4.843 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](COc3ccccc3)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359809606 1064484237 /nfs/dbraw/zinc/48/42/37/1064484237.db2.gz XBXRDOYXHMLEQN-NZQKXSOJSA-N 1 0 453.656 4.746 20 0 JJADRO Cc1cc(SCC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c(C)cc1Br ZINC001435064578 1064484343 /nfs/dbraw/zinc/48/43/43/1064484343.db2.gz NAZXHQUVWLXKRB-UHFFFAOYSA-N 1 0 453.421 4.888 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]1COc2ccccc2O1 ZINC001435065778 1064485032 /nfs/dbraw/zinc/48/50/32/1064485032.db2.gz PZDALYWODVWQEL-SFHVURJKSA-N 1 0 451.394 4.894 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435065668 1064485283 /nfs/dbraw/zinc/48/52/83/1064485283.db2.gz PNJRWKOMYKBLDI-QHCPKHFHSA-N 1 0 456.030 4.563 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C1(Cc2ccccc2Br)CC1 ZINC001435066889 1064487802 /nfs/dbraw/zinc/48/78/02/1064487802.db2.gz YZWSWSBXKFMONP-UHFFFAOYSA-N 1 0 451.355 4.640 20 0 JJADRO CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359814647 1064493025 /nfs/dbraw/zinc/49/30/25/1064493025.db2.gz MNNCEWLJLQAXOJ-JOCHJYFZSA-N 1 0 481.689 4.532 20 0 JJADRO CC(C)Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359814811 1064493780 /nfs/dbraw/zinc/49/37/80/1064493780.db2.gz BFHQTWRWDGNDGX-QHCPKHFHSA-N 1 0 475.628 4.923 20 0 JJADRO CC(C)Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359814845 1064493877 /nfs/dbraw/zinc/49/38/77/1064493877.db2.gz BZNKWRNCHDCYFE-HXUWFJFHSA-N 1 0 475.628 4.923 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359817377 1064499996 /nfs/dbraw/zinc/49/99/96/1064499996.db2.gz CCPGWOBVPDAMGT-UPVQGACJSA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCc3ccccc3F)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001359818138 1064501890 /nfs/dbraw/zinc/50/18/90/1064501890.db2.gz UCFLTWBLRKCOCC-NRFANRHFSA-N 1 0 457.638 4.533 20 0 JJADRO C[NH+]1CCN(C[C@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c2ccccc2)CC1 ZINC001359818438 1064502412 /nfs/dbraw/zinc/50/24/12/1064502412.db2.gz FHKOIHJJGFCPON-VWLOTQADSA-N 1 0 451.973 4.865 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001359819624 1064503388 /nfs/dbraw/zinc/50/33/88/1064503388.db2.gz TYBLGRZVDVJCMI-NRFANRHFSA-N 1 0 457.638 4.501 20 0 JJADRO CCCc1noc2nc(-c3ccco3)cc(C(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)c12 ZINC001435082129 1064503616 /nfs/dbraw/zinc/50/36/16/1064503616.db2.gz XGCNREYYURBZHE-UHFFFAOYSA-N 1 0 450.514 4.778 20 0 JJADRO C[C@@H](CNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[N@@H+]1CCc2ccccc2C1 ZINC001359828459 1064509972 /nfs/dbraw/zinc/50/99/72/1064509972.db2.gz HUNRVNXAQQFBHP-KRWDZBQOSA-N 1 0 458.002 4.793 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C[C@](C)(O)c1cccs1 ZINC001359833192 1064517829 /nfs/dbraw/zinc/51/78/29/1064517829.db2.gz VKSVYMDQDQXVOU-OFVILXPXSA-N 1 0 459.704 4.538 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359833461 1064518971 /nfs/dbraw/zinc/51/89/71/1064518971.db2.gz XXHQAZLRTIUONV-JOCHJYFZSA-N 1 0 490.737 4.728 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359835406 1064522774 /nfs/dbraw/zinc/52/27/74/1064522774.db2.gz WIGYGLPWXDWBHW-GGAORHGYSA-N 1 0 480.632 4.579 20 0 JJADRO CCS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)c1 ZINC001435121655 1064528181 /nfs/dbraw/zinc/52/81/81/1064528181.db2.gz XWXUDQSALUYCHR-IZZNHLLZSA-N 1 0 462.615 4.643 20 0 JJADRO CC(C)Cc1nnc(N2CCCN(c3ccccc3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001359841736 1064528813 /nfs/dbraw/zinc/52/88/13/1064528813.db2.gz ZKGHSDNVWABWEJ-XMMPIXPASA-N 1 0 452.691 4.705 20 0 JJADRO COCCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC001359846843 1064532854 /nfs/dbraw/zinc/53/28/54/1064532854.db2.gz BZYXBBCMHKNWEY-UHFFFAOYSA-N 1 0 458.908 4.588 20 0 JJADRO CCOC(=O)Nc1ccc(F)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001359847274 1064533404 /nfs/dbraw/zinc/53/34/04/1064533404.db2.gz LAZGLJDCZZVSEZ-UHFFFAOYSA-N 1 0 455.452 4.617 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001435127781 1064533543 /nfs/dbraw/zinc/53/35/43/1064533543.db2.gz VBXZWWYMWLKQNG-QGZVFWFLSA-N 1 0 450.501 4.876 20 0 JJADRO O=C([C@@H]1COc2ccc(F)cc2C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001359847717 1064534417 /nfs/dbraw/zinc/53/44/17/1064534417.db2.gz UBZKUGNAVWKUHQ-SFHVURJKSA-N 1 0 451.369 4.808 20 0 JJADRO CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359849299 1064535370 /nfs/dbraw/zinc/53/53/70/1064535370.db2.gz IANQGQQUQFWOHF-NRFANRHFSA-N 1 0 458.720 4.543 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001359850517 1064536632 /nfs/dbraw/zinc/53/66/32/1064536632.db2.gz WGJZALFRHQZTAP-UHFFFAOYSA-N 1 0 499.025 4.960 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001435132718 1064537259 /nfs/dbraw/zinc/53/72/59/1064537259.db2.gz GLOOQFZVHOULIJ-UHFFFAOYSA-N 1 0 454.636 4.709 20 0 JJADRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c2c(CC(C)(C)C)noc2n1 ZINC001359851537 1064538622 /nfs/dbraw/zinc/53/86/22/1064538622.db2.gz NAMJQFCOAHQOAT-UHFFFAOYSA-N 1 0 458.553 4.856 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001359852684 1064540161 /nfs/dbraw/zinc/54/01/61/1064540161.db2.gz RYVVIMFSBGTXJA-OAQYLSRUSA-N 1 0 456.654 4.595 20 0 JJADRO COc1cc(Br)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001359853633 1064541178 /nfs/dbraw/zinc/54/11/78/1064541178.db2.gz MAYOHJMLRMPNAT-UHFFFAOYSA-N 1 0 459.306 4.681 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359855789 1064543132 /nfs/dbraw/zinc/54/31/32/1064543132.db2.gz RTTHHMDHZXGNHG-HSZRJFAPSA-N 1 0 488.721 4.721 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001359856100 1064543415 /nfs/dbraw/zinc/54/34/15/1064543415.db2.gz VYFHKFHHYLIICL-LJQANCHMSA-N 1 0 479.591 4.777 20 0 JJADRO Cc1c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)nnn1-c1cccc(Cl)c1 ZINC001359857605 1064544935 /nfs/dbraw/zinc/54/49/35/1064544935.db2.gz BJPKUDCCNZVMGM-UHFFFAOYSA-N 1 0 458.393 4.621 20 0 JJADRO CC(C)Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001359860289 1064549251 /nfs/dbraw/zinc/54/92/51/1064549251.db2.gz ONHHLRMPKPFAHP-UBFVSLLYSA-N 1 0 466.718 4.665 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1nc(C(C)(C)C)cs1 ZINC001359861504 1064551975 /nfs/dbraw/zinc/55/19/75/1064551975.db2.gz XRXRUCHNACPHTN-HXUWFJFHSA-N 1 0 466.699 4.990 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359864005 1064553386 /nfs/dbraw/zinc/55/33/86/1064553386.db2.gz CSLMANJWCZWQRN-CTNGQTDRSA-N 1 0 453.528 4.772 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001359864221 1064553897 /nfs/dbraw/zinc/55/38/97/1064553897.db2.gz IFDMZPDRDYGSOG-RRPUWOKSSA-N 1 0 459.704 4.873 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359865451 1064555471 /nfs/dbraw/zinc/55/54/71/1064555471.db2.gz FEVIZZSYKQJROL-SJLPKXTDSA-N 1 0 464.035 4.665 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359866090 1064556947 /nfs/dbraw/zinc/55/69/47/1064556947.db2.gz NDROJHIMKKUBGT-QFIPXVFZSA-N 1 0 478.056 4.969 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359866396 1064557673 /nfs/dbraw/zinc/55/76/73/1064557673.db2.gz QLECMTSTLRHRSV-KCWPFWIISA-N 1 0 453.675 4.883 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001359866755 1064558813 /nfs/dbraw/zinc/55/88/13/1064558813.db2.gz YVNWBEVBYZMVND-OAQYLSRUSA-N 1 0 479.591 4.948 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359868144 1064560154 /nfs/dbraw/zinc/56/01/54/1064560154.db2.gz IARZVPZQAZTPRC-ZFGGDYGUSA-N 1 0 471.665 4.950 20 0 JJADRO CC(C)Cc1nnc(N2CCS[C@H](C)[C@H]2C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359872339 1064563886 /nfs/dbraw/zinc/56/38/86/1064563886.db2.gz BNPLFCKMISTYOP-WOJBJXKFSA-N 1 0 451.750 4.559 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001359879078 1064570602 /nfs/dbraw/zinc/57/06/02/1064570602.db2.gz OYKKQSJDLNPTJW-NLJOTIRTSA-N 1 0 475.722 4.559 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359879361 1064572491 /nfs/dbraw/zinc/57/24/91/1064572491.db2.gz UOSHJMUTSYXBEL-WFIHMLKPSA-N 1 0 475.722 4.702 20 0 JJADRO COc1ccc(/C=C(\C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)c2cccs2)cc1 ZINC001435188787 1064578541 /nfs/dbraw/zinc/57/85/41/1064578541.db2.gz OFNVMDDLKFULTK-NKFKGCMQSA-N 1 0 454.636 4.837 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001359884733 1064578880 /nfs/dbraw/zinc/57/88/80/1064578880.db2.gz PZZZRUMJKOQFNR-AVRDEDQJSA-N 1 0 457.569 4.915 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001359887038 1064582983 /nfs/dbraw/zinc/58/29/83/1064582983.db2.gz RURDIXAMMPJOHC-VXKWHMMOSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001359887842 1064584376 /nfs/dbraw/zinc/58/43/76/1064584376.db2.gz YSHKFNMFETUSCG-VABKMULXSA-N 1 0 488.721 4.954 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001435196277 1064584808 /nfs/dbraw/zinc/58/48/08/1064584808.db2.gz RCUHJJMIBNDTQQ-RTBURBONSA-N 1 0 457.537 4.604 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001359891157 1064591154 /nfs/dbraw/zinc/59/11/54/1064591154.db2.gz YKLRNVHXPYSJCW-XMMPIXPASA-N 1 0 480.484 4.971 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001359891674 1064592625 /nfs/dbraw/zinc/59/26/25/1064592625.db2.gz VYDMRSMGINVMBG-IECBHUPTSA-N 1 0 490.490 4.568 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001359891675 1064592735 /nfs/dbraw/zinc/59/27/35/1064592735.db2.gz VYDMRSMGINVMBG-IMWIBFENSA-N 1 0 490.490 4.568 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001359891878 1064593883 /nfs/dbraw/zinc/59/38/83/1064593883.db2.gz YQGPJQAYERELAG-KCWPFWIISA-N 1 0 497.087 4.891 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC001359900172 1064608319 /nfs/dbraw/zinc/60/83/19/1064608319.db2.gz OJHVHPVTZKVROE-KCWPFWIISA-N 1 0 455.691 4.864 20 0 JJADRO CC(C)c1ncc(OCc2ccccc2)c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)n1 ZINC001435238096 1064617946 /nfs/dbraw/zinc/61/79/46/1064617946.db2.gz KWCWJSCQEYCHFK-UHFFFAOYSA-N 1 0 457.578 4.948 20 0 JJADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)cc21 ZINC001435238663 1064618051 /nfs/dbraw/zinc/61/80/51/1064618051.db2.gz RVGDQYXWZNXAGT-UHFFFAOYSA-N 1 0 459.447 4.799 20 0 JJADRO CC(C)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001359908023 1064624678 /nfs/dbraw/zinc/62/46/78/1064624678.db2.gz RHLZBQCTQAUVJN-XMMPIXPASA-N 1 0 455.647 4.783 20 0 JJADRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCc1csc(Br)c1 ZINC001435254119 1064631077 /nfs/dbraw/zinc/63/10/77/1064631077.db2.gz GXYOCCGMLHHZGS-YJBOKZPZSA-N 1 0 451.430 4.810 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359914076 1064633096 /nfs/dbraw/zinc/63/30/96/1064633096.db2.gz BLHUPBJXWDADJJ-SFHVURJKSA-N 1 0 465.484 4.886 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359914273 1064633838 /nfs/dbraw/zinc/63/38/38/1064633838.db2.gz DXRKZVKMTZXCJT-ZWKOTPCHSA-N 1 0 465.484 4.649 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359914831 1064634731 /nfs/dbraw/zinc/63/47/31/1064634731.db2.gz OPYFNZSDZMONGS-QGZVFWFLSA-N 1 0 465.465 4.882 20 0 JJADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001435259941 1064635828 /nfs/dbraw/zinc/63/58/28/1064635828.db2.gz FIKPCKBGJVJBRJ-QNWVGRARSA-N 1 0 457.640 4.588 20 0 JJADRO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1=O ZINC001435260254 1064636414 /nfs/dbraw/zinc/63/64/14/1064636414.db2.gz HXASZXIGOSJSLL-KSYXXAMZSA-N 1 0 453.652 4.814 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccs1 ZINC001435260280 1064636618 /nfs/dbraw/zinc/63/66/18/1064636618.db2.gz IOVKKBSMQLXARI-HFZDXXHNSA-N 1 0 450.604 4.905 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(Cl)cc2Br)[C@H]1c1cccs1 ZINC001435263297 1064639942 /nfs/dbraw/zinc/63/99/42/1064639942.db2.gz ZRLSTPOEVJIEIZ-YJYMSZOUSA-N 1 0 457.821 4.742 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359921548 1064647748 /nfs/dbraw/zinc/64/77/48/1064647748.db2.gz LRLMCAODKHYPJJ-FKBYEOEOSA-N 1 0 476.710 4.953 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC001435270195 1064648536 /nfs/dbraw/zinc/64/85/36/1064648536.db2.gz BSCYZMWLKQFUTO-HXUWFJFHSA-N 1 0 450.608 4.751 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC001435280346 1064657875 /nfs/dbraw/zinc/65/78/75/1064657875.db2.gz KOOSSDVXDXSYKI-SJLPKXTDSA-N 1 0 477.374 4.862 20 0 JJADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001435285809 1064663298 /nfs/dbraw/zinc/66/32/98/1064663298.db2.gz YQTPSRMRXYVPPW-YKQNXRHISA-N 1 0 465.041 4.653 20 0 JJADRO CC(C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001359933545 1064674649 /nfs/dbraw/zinc/67/46/49/1064674649.db2.gz SWNBGHRVTQKLRY-UHFFFAOYSA-N 1 0 460.066 4.973 20 0 JJADRO CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001359933853 1064676074 /nfs/dbraw/zinc/67/60/74/1064676074.db2.gz ZBEWERUXJYWSDA-JOCHJYFZSA-N 1 0 486.680 4.598 20 0 JJADRO CC(C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001359934087 1064677193 /nfs/dbraw/zinc/67/71/93/1064677193.db2.gz VRFHUGLFGLCXDA-OAQYLSRUSA-N 1 0 453.675 4.978 20 0 JJADRO Cc1noc(C)c1CSc1ncccc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435302633 1064677743 /nfs/dbraw/zinc/67/77/43/1064677743.db2.gz HILJPGUOFZZZJJ-OAQYLSRUSA-N 1 0 450.608 4.573 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCOC[C@@H]2C)CC1 ZINC001359947282 1064695900 /nfs/dbraw/zinc/69/59/00/1064695900.db2.gz GBWKDRBZGBEHRM-SFHVURJKSA-N 1 0 464.029 4.721 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(Cc2cccs2)C(C)C)CC1 ZINC001359947316 1064696363 /nfs/dbraw/zinc/69/63/63/1064696363.db2.gz HKGSTTJVOXNERA-UHFFFAOYSA-N 1 0 486.730 4.749 20 0 JJADRO Cc1nc(-c2cnn(C)c2)sc1C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001435325703 1064697873 /nfs/dbraw/zinc/69/78/73/1064697873.db2.gz SCZABRSKNFPPDF-UHFFFAOYSA-N 1 0 459.619 4.626 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1cnn(-c2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC001435326191 1064698863 /nfs/dbraw/zinc/69/88/63/1064698863.db2.gz UFXIDYDTXFULAZ-UHFFFAOYSA-N 1 0 459.981 4.695 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCOC[C@H](C3CCC3)C2)CC1 ZINC001359948893 1064701028 /nfs/dbraw/zinc/70/10/28/1064701028.db2.gz SYWRJKUYILYRAQ-XMMPIXPASA-N 1 0 459.723 4.878 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001359949072 1064701450 /nfs/dbraw/zinc/70/14/50/1064701450.db2.gz WMOVJSXPUASOJA-FQEVSTJZSA-N 1 0 467.637 4.773 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N3CC[C@H](C)[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001359951028 1064707640 /nfs/dbraw/zinc/70/76/40/1064707640.db2.gz RIWZBXQZPGJLAF-WCYRKSIYSA-N 1 0 475.722 4.559 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CC(C)C)cc1 ZINC001359951868 1064711622 /nfs/dbraw/zinc/71/16/22/1064711622.db2.gz IFXGLXOYZCSVTE-RUZDIDTESA-N 1 0 482.717 4.631 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNC(=O)c1c(C(F)F)nc2ccccn21)C1CCCC1 ZINC001435352198 1064718460 /nfs/dbraw/zinc/71/84/60/1064718460.db2.gz LYXBTGXDLFZUSR-UHFFFAOYSA-N 1 0 456.537 4.845 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001359955055 1064722885 /nfs/dbraw/zinc/72/28/85/1064722885.db2.gz PRUVHRVUVJFEAQ-KNQAVFIVSA-N 1 0 495.590 4.622 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@H+]2CC=CCC2)cc1 ZINC001359955413 1064724359 /nfs/dbraw/zinc/72/43/59/1064724359.db2.gz WLPIQNWKHVULED-JOCHJYFZSA-N 1 0 467.658 4.636 20 0 JJADRO O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)C1(OCc2ccccc2)CCOCC1 ZINC001359957652 1064725769 /nfs/dbraw/zinc/72/57/69/1064725769.db2.gz XECQEVOQCAWQRT-XMMPIXPASA-N 1 0 457.014 4.577 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(Cl)c(F)cc2Br)cc1 ZINC001545890519 1064726702 /nfs/dbraw/zinc/72/67/02/1064726702.db2.gz DOQPAXBBGIVXGN-IBGZPJMESA-N 1 0 455.755 4.817 20 0 JJADRO CC(C)CCOC1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359958110 1064726913 /nfs/dbraw/zinc/72/69/13/1064726913.db2.gz MOYKDFBXECHIAZ-LSQMVHIFSA-N 1 0 475.722 4.919 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359958526 1064728435 /nfs/dbraw/zinc/72/84/35/1064728435.db2.gz ZFRBEYXWTUNLQF-JOCHJYFZSA-N 1 0 471.665 4.771 20 0 JJADRO CC(C)CCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359965264 1064740614 /nfs/dbraw/zinc/74/06/14/1064740614.db2.gz WRZOAWPYNFEUSN-FQEVSTJZSA-N 1 0 490.490 4.835 20 0 JJADRO CC(C)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359970787 1064746510 /nfs/dbraw/zinc/74/65/10/1064746510.db2.gz DMXWUUUGQDNLLO-AQNXPRMDSA-N 1 0 464.054 4.663 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001359971474 1064748026 /nfs/dbraw/zinc/74/80/26/1064748026.db2.gz XGUVHHWRFSVDFO-IBGZPJMESA-N 1 0 475.435 4.948 20 0 JJADRO Cc1cc(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)nn1-c1ccc(Br)cc1 ZINC001435421794 1064749782 /nfs/dbraw/zinc/74/97/82/1064749782.db2.gz GYBHYFVNLRKHTO-KRWDZBQOSA-N 1 0 455.400 4.584 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CC3CCC(C(F)(F)F)CC3)CC2)c1C ZINC001359973126 1064750360 /nfs/dbraw/zinc/75/03/60/1064750360.db2.gz ZBCDNEPFEUVGLE-UHFFFAOYSA-N 1 0 455.565 4.889 20 0 JJADRO CC(C)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359973144 1064750437 /nfs/dbraw/zinc/75/04/37/1064750437.db2.gz KHLRZJDUANDQFU-RUZDIDTESA-N 1 0 469.655 4.647 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359973249 1064750463 /nfs/dbraw/zinc/75/04/63/1064750463.db2.gz MDDALDIMFSRJGW-UHFFFAOYSA-N 1 0 461.582 4.759 20 0 JJADRO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCCC1 ZINC001359983058 1064759177 /nfs/dbraw/zinc/75/91/77/1064759177.db2.gz PLAJIQVXSRLWKJ-FGZHOGPDSA-N 1 0 472.722 4.676 20 0 JJADRO CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC001359983703 1064760798 /nfs/dbraw/zinc/76/07/98/1064760798.db2.gz WKUDUBOBNCYCRG-WCYRKSIYSA-N 1 0 477.738 4.946 20 0 JJADRO CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[NH+]1CCCCCC1)C1CCCC1 ZINC001359985239 1064763955 /nfs/dbraw/zinc/76/39/55/1064763955.db2.gz JNYOEGPCYUAXOJ-SANMLTNESA-N 1 0 461.695 4.600 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC001359985825 1064764998 /nfs/dbraw/zinc/76/49/98/1064764998.db2.gz RBQZJYMARWXXKW-WOJBJXKFSA-N 1 0 475.081 4.898 20 0 JJADRO CC(C)CN(c1nnc(-c2ccccc2Br)n1C[C@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC001359986636 1064767459 /nfs/dbraw/zinc/76/74/59/1064767459.db2.gz SKUUBTIOBNWQHM-JOCHJYFZSA-N 1 0 492.506 4.935 20 0 JJADRO CC(C)CN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](c1ccco1)[NH+](C)C)C(C)C ZINC001359987208 1064768217 /nfs/dbraw/zinc/76/82/17/1064768217.db2.gz MXWDGFBZOFUSDJ-HSZRJFAPSA-N 1 0 461.614 4.898 20 0 JJADRO CC(C)CN(c1nnc(-c2noc3c2COCC3)n1CCCC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC001359987551 1064768775 /nfs/dbraw/zinc/76/87/75/1064768775.db2.gz UIHOPAYTDWNQGL-FQEVSTJZSA-N 1 0 458.651 4.531 20 0 JJADRO CC(C)CN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(C)C ZINC001359989541 1064771019 /nfs/dbraw/zinc/77/10/19/1064771019.db2.gz OBQMXZQYERIGSJ-JWQCQUIFSA-N 1 0 453.675 4.608 20 0 JJADRO CC(C)CN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC001359990021 1064771429 /nfs/dbraw/zinc/77/14/29/1064771429.db2.gz IEIWMBANCGVDOX-UHFFFAOYSA-N 1 0 487.136 4.953 20 0 JJADRO COc1ccc(Cl)c(-c2cc(C(=O)NC3[C@@H](C)C[NH+](Cc4ccccc4)C[C@@H]3C)on2)c1 ZINC001435462150 1064771933 /nfs/dbraw/zinc/77/19/33/1064771933.db2.gz UGAVMPVVSWGXTJ-IRXDYDNUSA-N 1 0 453.970 4.890 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c2c(nn1C)CCCC2)[NH+](C)C ZINC001435470752 1064777108 /nfs/dbraw/zinc/77/71/08/1064777108.db2.gz HSMQBBRRVHDWBR-NRFANRHFSA-N 1 0 451.442 4.834 20 0 JJADRO CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cn3)cc2)cc1 ZINC001435478301 1064780491 /nfs/dbraw/zinc/78/04/91/1064780491.db2.gz VYLIVAUKAIYVGI-UHFFFAOYSA-N 1 0 458.562 4.859 20 0 JJADRO CC(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001360001305 1064786940 /nfs/dbraw/zinc/78/69/40/1064786940.db2.gz IWQSCXHNCDYYJB-DEOSSOPVSA-N 1 0 496.700 4.761 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(CO)CC2)C1 ZINC001360007603 1064795117 /nfs/dbraw/zinc/79/51/17/1064795117.db2.gz FEZPZGGZSVGZEB-QHCPKHFHSA-N 1 0 467.702 4.819 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001360007499 1064795216 /nfs/dbraw/zinc/79/52/16/1064795216.db2.gz DGJQMWADZFTCCL-ACRUOGEOSA-N 1 0 476.065 4.665 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCCO[C@@H](C)C2)C1 ZINC001360008553 1064798408 /nfs/dbraw/zinc/79/84/08/1064798408.db2.gz SXPDOBYWJRCFCP-VQTJNVASSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360009572 1064799727 /nfs/dbraw/zinc/79/97/27/1064799727.db2.gz CFFRFXKXHAXSMJ-PKTZIBPZSA-N 1 0 474.093 4.753 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C1 ZINC001360010000 1064800839 /nfs/dbraw/zinc/80/08/39/1064800839.db2.gz IRULBMSZAUGPAW-QUCCMNQESA-N 1 0 479.591 4.594 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001360010424 1064801617 /nfs/dbraw/zinc/80/16/17/1064801617.db2.gz PRURJIZSFPNWHN-SLFFLAALSA-N 1 0 457.585 4.666 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Br)o2)C1 ZINC001360010534 1064802911 /nfs/dbraw/zinc/80/29/11/1064802911.db2.gz RGHDQVHXSURGSL-GOSISDBHSA-N 1 0 487.446 4.700 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C(C)C)C2)C1 ZINC001360010528 1064802942 /nfs/dbraw/zinc/80/29/42/1064802942.db2.gz RFSWKHXUYYLMTO-AUSIDOKSSA-N 1 0 478.056 4.967 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001360010720 1064803475 /nfs/dbraw/zinc/80/34/75/1064803475.db2.gz VEORLLFLGHJQPW-FCHUYYIVSA-N 1 0 491.627 4.778 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)S[C@H](C)C2)C1 ZINC001360010859 1064804429 /nfs/dbraw/zinc/80/44/29/1064804429.db2.gz XCAJHUMGXSJQAK-QRVBRYPASA-N 1 0 463.095 4.692 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)C1 ZINC001360011714 1064806636 /nfs/dbraw/zinc/80/66/36/1064806636.db2.gz HGWYAVFYCPTICU-VQTJNVASSA-N 1 0 478.106 4.817 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(N3CCCN(c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001360012125 1064808119 /nfs/dbraw/zinc/80/81/19/1064808119.db2.gz MQZAEJBEDJHAMN-HSZRJFAPSA-N 1 0 452.691 4.660 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001360012216 1064808199 /nfs/dbraw/zinc/80/81/99/1064808199.db2.gz MWWDBQSOWVIQNX-AKIFATBCSA-N 1 0 493.618 4.587 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001360012217 1064808244 /nfs/dbraw/zinc/80/82/44/1064808244.db2.gz MWWDBQSOWVIQNX-PMVMPFDFSA-N 1 0 493.618 4.587 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)C1 ZINC001360012109 1064808410 /nfs/dbraw/zinc/80/84/10/1064808410.db2.gz MPPCACKQAFXBLQ-VSKRKVRLSA-N 1 0 457.638 4.847 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001360012218 1064808470 /nfs/dbraw/zinc/80/84/70/1064808470.db2.gz MWWDBQSOWVIQNX-PUHATCMVSA-N 1 0 493.618 4.587 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CC[C@@H](C)C2)C1 ZINC001360012389 1064809172 /nfs/dbraw/zinc/80/91/72/1064809172.db2.gz QZGSDCIZLIHOJM-WOJBJXKFSA-N 1 0 490.490 4.834 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360012394 1064809349 /nfs/dbraw/zinc/80/93/49/1064809349.db2.gz RAEIDRFDDBJLOT-OAQYLSRUSA-N 1 0 491.602 4.966 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001360012366 1064809447 /nfs/dbraw/zinc/80/94/47/1064809447.db2.gz QOTUOXWASAMCTQ-JOCHJYFZSA-N 1 0 459.704 4.692 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001360015041 1064813767 /nfs/dbraw/zinc/81/37/67/1064813767.db2.gz MSPARZVHBFBOBT-FXAWDEMLSA-N 1 0 464.427 4.624 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001360017735 1064818395 /nfs/dbraw/zinc/81/83/95/1064818395.db2.gz IUFFRBZMCDHFPP-IFMALSPDSA-N 1 0 490.490 4.547 20 0 JJADRO CCOc1ccc([C@]2(C(=O)N(CC[NH+](C)C)Cc3ccccc3F)CC2(Cl)Cl)cc1 ZINC001360019395 1064821759 /nfs/dbraw/zinc/82/17/59/1064821759.db2.gz MVMJUSJHBNJVBZ-QFIPXVFZSA-N 1 0 453.385 4.630 20 0 JJADRO CC(C)CN1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1=O ZINC001360021818 1064825533 /nfs/dbraw/zinc/82/55/33/1064825533.db2.gz SQSZADLPFWAEPY-BDTNDASRSA-N 1 0 498.691 4.534 20 0 JJADRO CC1(C)C[N@@H+](C2(CNC(=O)c3cccc(COc4cccc(F)c4)c3)CCCCC2)CCO1 ZINC001360026552 1064828533 /nfs/dbraw/zinc/82/85/33/1064828533.db2.gz COTCFSSDMNOKDG-UHFFFAOYSA-N 1 0 454.586 4.948 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CC3CC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001360029407 1064831041 /nfs/dbraw/zinc/83/10/41/1064831041.db2.gz QPTDDGQRLLFKCK-OAQYLSRUSA-N 1 0 453.528 4.630 20 0 JJADRO C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001435561460 1064833593 /nfs/dbraw/zinc/83/35/93/1064833593.db2.gz DWQSJHFFOKGWIY-QSEAXJEQSA-N 1 0 455.602 4.669 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001360031653 1064833714 /nfs/dbraw/zinc/83/37/14/1064833714.db2.gz CKUIGEIYVXWHDV-UHFFFAOYSA-N 1 0 453.320 4.661 20 0 JJADRO Cc1cc(F)cc(-n2nc(C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)c3c2CCC3)c1 ZINC001360032190 1064834410 /nfs/dbraw/zinc/83/44/10/1064834410.db2.gz KZZONCRMEGNPFL-UHFFFAOYSA-N 1 0 454.977 4.666 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1nn(-c2ccccc2F)c2c1CCCC2 ZINC001360032815 1064835223 /nfs/dbraw/zinc/83/52/23/1064835223.db2.gz SLVFUIBDPIGKFE-UHFFFAOYSA-N 1 0 454.977 4.748 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC2CCC2)C1 ZINC001360035186 1064840336 /nfs/dbraw/zinc/84/03/36/1064840336.db2.gz LALRMRBYYKEHDB-XXBNENTESA-N 1 0 476.065 4.665 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001360035146 1064840463 /nfs/dbraw/zinc/84/04/63/1064840463.db2.gz KKWHFNDUTANDAS-SQNIBIBYSA-N 1 0 496.519 4.608 20 0 JJADRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001360035223 1064841049 /nfs/dbraw/zinc/84/10/49/1064841049.db2.gz LEBUYVDOUNEEKC-UHFFFAOYSA-N 1 0 457.553 4.586 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360035525 1064841417 /nfs/dbraw/zinc/84/14/17/1064841417.db2.gz NSCIAXFEJCENDI-XZOQPEGZSA-N 1 0 490.092 4.739 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCc2nccs2)C1 ZINC001360035919 1064842311 /nfs/dbraw/zinc/84/23/11/1064842311.db2.gz QZYIRMJYRNFMLZ-HSZRJFAPSA-N 1 0 496.725 4.735 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@@H](C(C)C)C2)C1 ZINC001360036063 1064844331 /nfs/dbraw/zinc/84/43/31/1064844331.db2.gz SBGHPGHWTJRQPT-IFMALSPDSA-N 1 0 490.490 4.547 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@H](C(C)C)C2)C1 ZINC001360036065 1064844496 /nfs/dbraw/zinc/84/44/96/1064844496.db2.gz SBGHPGHWTJRQPT-RBBKRZOGSA-N 1 0 490.490 4.547 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)nc1 ZINC001360037430 1064846466 /nfs/dbraw/zinc/84/64/66/1064846466.db2.gz KELRCZHAGUAGBS-UHFFFAOYSA-N 1 0 458.990 4.820 20 0 JJADRO COc1ccc(-n2nc(C(=O)N(CC[NH+]3CCCC3)Cc3ccc(Cl)cc3)cc2C)cc1 ZINC001360037673 1064847373 /nfs/dbraw/zinc/84/73/73/1064847373.db2.gz QCHBZPYIMYSPDT-UHFFFAOYSA-N 1 0 452.986 4.581 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC001435581371 1064847816 /nfs/dbraw/zinc/84/78/16/1064847816.db2.gz RENGQYNNYZPKOA-QHCPKHFHSA-N 1 0 455.574 4.711 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)c2ccco2)C1 ZINC001360038079 1064848712 /nfs/dbraw/zinc/84/87/12/1064848712.db2.gz AZGYJCNBHXMSMH-SIKLNZKXSA-N 1 0 488.032 4.658 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(N(C)C[C@H]3CCCO[C@H]3c3ccccc3)nnc2C(C)(C)C)C1 ZINC001360038766 1064850824 /nfs/dbraw/zinc/85/08/24/1064850824.db2.gz JKPAXDKJIGPFEW-DSITVLBTSA-N 1 0 483.701 4.537 20 0 JJADRO COc1ccc(CCC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001435587528 1064852322 /nfs/dbraw/zinc/85/23/22/1064852322.db2.gz RKRYDECDTPSILI-UYAOXDASSA-N 1 0 459.428 4.807 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)C(F)(F)c2ccccc2Br)C[N@@H+]1Cc1ccccc1 ZINC001435587944 1064852341 /nfs/dbraw/zinc/85/23/41/1064852341.db2.gz TZBBFWKXOZJFDI-AEFFLSMTSA-N 1 0 451.355 4.958 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@H](C)c2ccccc2)C1 ZINC001360039644 1064853443 /nfs/dbraw/zinc/85/34/43/1064853443.db2.gz QOBZLZXANMIFBP-DZWGLGNASA-N 1 0 497.728 4.793 20 0 JJADRO 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CC(C)COc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360054807 1064883496 /nfs/dbraw/zinc/88/34/96/1064883496.db2.gz NWECHWUCXZDCKA-UHFFFAOYSA-N 1 0 490.696 4.905 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360056414 1064887076 /nfs/dbraw/zinc/88/70/76/1064887076.db2.gz CJIMLRJWNLOXAF-VXKWHMMOSA-N 1 0 487.664 4.931 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001360056629 1064888584 /nfs/dbraw/zinc/88/85/84/1064888584.db2.gz DQCQSJBMVOZAIJ-JOCHJYFZSA-N 1 0 487.023 4.516 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc4cccnc43)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001360058594 1064894517 /nfs/dbraw/zinc/89/45/17/1064894517.db2.gz TVPPSGUSSBJUIY-HSZRJFAPSA-N 1 0 464.658 4.863 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001360060967 1064900519 /nfs/dbraw/zinc/90/05/19/1064900519.db2.gz RHNBBSBPFHLFDX-JTHBVZDNSA-N 1 0 462.642 4.721 20 0 JJADRO 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/nfs/dbraw/zinc/98/61/48/1064986148.db2.gz RLVNSVILWPZSCG-FQEVSTJZSA-N 1 0 471.447 4.510 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001360106946 1064988584 /nfs/dbraw/zinc/98/85/84/1064988584.db2.gz XBNTVDQVDMBUTQ-UZLBHIALSA-N 1 0 452.430 4.597 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC2(C1)CCOCC2 ZINC001360106759 1064988648 /nfs/dbraw/zinc/98/86/48/1064988648.db2.gz QAJBQFFANOOATM-UHFFFAOYSA-N 1 0 452.430 4.599 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(Cn2cccn2)CC1 ZINC001360106860 1064988750 /nfs/dbraw/zinc/98/87/50/1064988750.db2.gz UKNGPNOXRCCGIG-UHFFFAOYSA-N 1 0 476.456 4.705 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360107040 1064989585 /nfs/dbraw/zinc/98/95/85/1064989585.db2.gz ZYRGSAOQLGUFAY-GOSISDBHSA-N 1 0 496.469 4.971 20 0 JJADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cc(Cl)c3ccccc3n2)CC1 ZINC001435782212 1064989768 /nfs/dbraw/zinc/98/97/68/1064989768.db2.gz DSHXUEPHICZSJW-UHFFFAOYSA-N 1 0 459.775 4.655 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001360110340 1064991686 /nfs/dbraw/zinc/99/16/86/1064991686.db2.gz OFEPPQBCZRFUBI-FQEVSTJZSA-N 1 0 452.018 4.577 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC1CC1)C1CCC1 ZINC001360109504 1064991771 /nfs/dbraw/zinc/99/17/71/1064991771.db2.gz GNROSTJCXXIOFH-OAQYLSRUSA-N 1 0 474.694 4.502 20 0 JJADRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@H](Oc3ccc(Br)cc3)c3ccccc3)C2)CC1 ZINC001435797186 1064995263 /nfs/dbraw/zinc/99/52/63/1064995263.db2.gz LVDAZSGNDNSYQV-NZQKXSOJSA-N 1 0 457.412 4.760 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001360113930 1064996446 /nfs/dbraw/zinc/99/64/46/1064996446.db2.gz SZUVEISDICCRNG-DNVJHFABSA-N 1 0 490.092 4.768 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001435805718 1065001465 /nfs/dbraw/zinc/00/14/65/1065001465.db2.gz QVKKHYLNRUCMIT-XIKOKIGWSA-N 1 0 459.281 4.857 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001435805707 1065001523 /nfs/dbraw/zinc/00/15/23/1065001523.db2.gz QVKKHYLNRUCMIT-KZULUSFZSA-N 1 0 459.281 4.857 20 0 JJADRO CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435806853 1065002046 /nfs/dbraw/zinc/00/20/46/1065002046.db2.gz GWWURQXMJXYNLR-HXUWFJFHSA-N 1 0 454.665 4.832 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)CCCC1 ZINC001360118932 1065005429 /nfs/dbraw/zinc/00/54/29/1065005429.db2.gz SVNWWCGAJYEBQP-UHFFFAOYSA-N 1 0 498.672 4.698 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2cnc(-c3cccc(Cl)c3)s2)cc1 ZINC001360120547 1065008386 /nfs/dbraw/zinc/00/83/86/1065008386.db2.gz LRVNILYHFQGGIG-UHFFFAOYSA-N 1 0 457.983 4.754 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360122322 1065011415 /nfs/dbraw/zinc/01/14/15/1065011415.db2.gz CFUJSCFYIHMKLU-QFIPXVFZSA-N 1 0 453.660 4.722 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)C(C)C ZINC001360123363 1065014344 /nfs/dbraw/zinc/01/43/44/1065014344.db2.gz GCGFKSLTWMYYKK-RTWAWAEBSA-N 1 0 493.494 4.692 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCC1)C(C)C ZINC001360123713 1065014877 /nfs/dbraw/zinc/01/48/77/1065014877.db2.gz LSQTWVWIXRGTGV-UHFFFAOYSA-N 1 0 451.457 4.544 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC2(CC1)OCCO2)C(C)C ZINC001360123742 1065015220 /nfs/dbraw/zinc/01/52/20/1065015220.db2.gz MIUMNVFSUBUEQX-UHFFFAOYSA-N 1 0 491.080 4.624 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)C(C)C ZINC001360123918 1065015241 /nfs/dbraw/zinc/01/52/41/1065015241.db2.gz PEELPBGFFZJHHZ-DETIRCLXSA-N 1 0 460.066 4.705 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)cn2C)nnc1N1CCCCCC1)C(C)C ZINC001360124167 1065016381 /nfs/dbraw/zinc/01/63/81/1065016381.db2.gz WQZWVUZUFLIYKS-UHFFFAOYSA-N 1 0 465.484 4.935 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2Cl)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001360125437 1065017775 /nfs/dbraw/zinc/01/77/75/1065017775.db2.gz KJPSIVSQFYBMNH-FQEVSTJZSA-N 1 0 496.121 4.511 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)C(C)C ZINC001360125619 1065018217 /nfs/dbraw/zinc/01/82/17/1065018217.db2.gz QKYOFNIFLUWXQH-UHFFFAOYSA-N 1 0 487.693 4.523 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCCO[C@@H](c2ccccc2)C1)C(C)C ZINC001360125782 1065018744 /nfs/dbraw/zinc/01/87/44/1065018744.db2.gz VRSFVEYZZTUMIE-XMMPIXPASA-N 1 0 450.631 4.750 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccccc2F)nnc1N1CC[C@]2(C1)CCCOC2)C(C)C ZINC001360125994 1065019271 /nfs/dbraw/zinc/01/92/71/1065019271.db2.gz CPCMZNAKOUCFPY-SANMLTNESA-N 1 0 457.638 4.524 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccco2)C1)C(C)C ZINC001360126419 1065020205 /nfs/dbraw/zinc/02/02/05/1065020205.db2.gz QHINDUFPQPPZIQ-DEOSSOPVSA-N 1 0 469.605 4.688 20 0 JJADRO CC(C)[NH+](CCCn1c(COc2ccc(Br)cc2)nnc1N1CCSCC1)C(C)C ZINC001360126525 1065020872 /nfs/dbraw/zinc/02/08/72/1065020872.db2.gz UADOUJLOEPGAKJ-UHFFFAOYSA-N 1 0 496.519 4.682 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCCOC1)C(C)C ZINC001360128407 1065022534 /nfs/dbraw/zinc/02/25/34/1065022534.db2.gz IABZODYQQFVXBI-SFHVURJKSA-N 1 0 452.018 4.719 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C ZINC001360128462 1065022688 /nfs/dbraw/zinc/02/26/88/1065022688.db2.gz JKKFZUBIOYDOHH-UZLBHIALSA-N 1 0 454.446 4.578 20 0 JJADRO CCCN(C(=O)c1nc(Br)c2ccccn21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360128664 1065023173 /nfs/dbraw/zinc/02/31/73/1065023173.db2.gz CEOZYSKTORWFOR-IBGZPJMESA-N 1 0 455.400 4.614 20 0 JJADRO C[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435851095 1065023232 /nfs/dbraw/zinc/02/32/32/1065023232.db2.gz FRVTWKFCYZTPMC-GJZGRUSLSA-N 1 0 452.382 4.943 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCOCC1)C(C)C ZINC001360128848 1065023710 /nfs/dbraw/zinc/02/37/10/1065023710.db2.gz OQBBSKSFBJNQQP-UHFFFAOYSA-N 1 0 478.479 4.689 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C(C)C ZINC001360129312 1065024871 /nfs/dbraw/zinc/02/48/71/1065024871.db2.gz PDVQNXRLCAWLPS-UHFFFAOYSA-N 1 0 462.683 4.548 20 0 JJADRO CCCOc1c(Br)cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC001435853883 1065025683 /nfs/dbraw/zinc/02/56/83/1065025683.db2.gz XQCKJAMABSBIQJ-JKSUJKDBSA-N 1 0 453.421 4.629 20 0 JJADRO CC(C)[NH+](CCn1c(C2CC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C(C)C ZINC001360129807 1065025864 /nfs/dbraw/zinc/02/58/64/1065025864.db2.gz VYLOVPUPDPVPDW-NRFANRHFSA-N 1 0 450.002 4.645 20 0 JJADRO COc1ccc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)cc1OC(F)F ZINC001435855655 1065026511 /nfs/dbraw/zinc/02/65/11/1065026511.db2.gz MMZGLDOLABMUGQ-HXUWFJFHSA-N 1 0 454.464 4.920 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1)C(C)C ZINC001360131518 1065026606 /nfs/dbraw/zinc/02/66/06/1065026606.db2.gz ASRALJUKPNXRPE-OFNKIYASSA-N 1 0 476.065 4.522 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccccc2F)nnc1N1CCCC2(CCOCC2)C1)C(C)C ZINC001360131529 1065026618 /nfs/dbraw/zinc/02/66/18/1065026618.db2.gz AUDATJXWKYAJIJ-UHFFFAOYSA-N 1 0 457.638 4.524 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1)C(C)C ZINC001360132047 1065027054 /nfs/dbraw/zinc/02/70/54/1065027054.db2.gz FRYRPMWELXQMOS-NXCFDTQHSA-N 1 0 483.701 4.895 20 0 JJADRO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1 ZINC001435855805 1065027080 /nfs/dbraw/zinc/02/70/80/1065027080.db2.gz PHXICKXWGYHDMV-VAXXYWNWSA-N 1 0 458.549 4.817 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1)C(C)C ZINC001360132784 1065027569 /nfs/dbraw/zinc/02/75/69/1065027569.db2.gz MEBGBXJAARZJND-GVAUOCQISA-N 1 0 469.674 4.505 20 0 JJADRO COc1ccccc1-c1cc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)no1 ZINC001435856986 1065027803 /nfs/dbraw/zinc/02/78/03/1065027803.db2.gz YIQPRNWNORRTRV-HSZRJFAPSA-N 1 0 455.505 4.974 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C2CC2)C1)C(C)C ZINC001360133410 1065028818 /nfs/dbraw/zinc/02/88/18/1065028818.db2.gz RPEPMVLYJFWYQA-GOTSBHOMSA-N 1 0 488.721 4.748 20 0 JJADRO CC(C)[NH+](CCn1c(COc2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1)C(C)C ZINC001360134635 1065030721 /nfs/dbraw/zinc/03/07/21/1065030721.db2.gz MHOJACWUHOOZHX-UHFFFAOYSA-N 1 0 475.653 4.899 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N1CCc2ccc(Cl)nc2C1)C(C)C ZINC001360135063 1065031063 /nfs/dbraw/zinc/03/10/63/1065031063.db2.gz RBCXQNODIGPWPS-UHFFFAOYSA-N 1 0 459.063 4.660 20 0 JJADRO CC(C)[NH+](CCn1c(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nnc1C(C)(C)C)C(C)C ZINC001360134908 1065031091 /nfs/dbraw/zinc/03/10/91/1065031091.db2.gz PPTILOWJYAFNSX-FQEVSTJZSA-N 1 0 451.663 4.955 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cc(F)cc(F)c1)C(C)C ZINC001360135446 1065031581 /nfs/dbraw/zinc/03/15/81/1065031581.db2.gz VZBURWSNTSJRKX-UHFFFAOYSA-N 1 0 481.595 4.550 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(CCc3ccccc3)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001360136204 1065032632 /nfs/dbraw/zinc/03/26/32/1065032632.db2.gz IGFAAPMVVPUYTK-OAQYLSRUSA-N 1 0 467.683 4.558 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(CCCc3ccccc3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001360137450 1065033180 /nfs/dbraw/zinc/03/31/80/1065033180.db2.gz XICKFSKNWPGVEM-UHFFFAOYSA-N 1 0 479.713 4.871 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCOC(C)(C)C)C1 ZINC001360139646 1065036040 /nfs/dbraw/zinc/03/60/40/1065036040.db2.gz SMCKJNYNXMISJP-FQEVSTJZSA-N 1 0 452.647 4.798 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)c2ccccc2)CC1 ZINC001360139840 1065036095 /nfs/dbraw/zinc/03/60/95/1065036095.db2.gz VDSLXUZIRDFFLH-QPTUXGOLSA-N 1 0 483.701 4.629 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCCCCCC2)C1 ZINC001360139849 1065036320 /nfs/dbraw/zinc/03/63/20/1065036320.db2.gz VMNKRMVZHMFEIM-IBGZPJMESA-N 1 0 477.495 4.937 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@H]2C)C1 ZINC001360140181 1065036581 /nfs/dbraw/zinc/03/65/81/1065036581.db2.gz YQDQSARLRUAUIE-SJORKVTESA-N 1 0 452.430 4.597 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@H]2C)C1 ZINC001360140179 1065036757 /nfs/dbraw/zinc/03/67/57/1065036757.db2.gz YQDQSARLRUAUIE-IAGOWNOFSA-N 1 0 452.430 4.597 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001360140220 1065037140 /nfs/dbraw/zinc/03/71/40/1065037140.db2.gz ZMZDPPMETLRUCB-KRWDZBQOSA-N 1 0 493.553 4.593 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2ccccc2)C1 ZINC001360140542 1065037613 /nfs/dbraw/zinc/03/76/13/1065037613.db2.gz GHARBGUMTYDFTH-LEWJYISDSA-N 1 0 480.682 4.587 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)C1 ZINC001360140475 1065037746 /nfs/dbraw/zinc/03/77/46/1065037746.db2.gz DYFKDZRACDKVPH-LJQANCHMSA-N 1 0 450.469 4.620 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)c1 ZINC001435875310 1065038015 /nfs/dbraw/zinc/03/80/15/1065038015.db2.gz GMAHBQAYNRTKJM-HHHXNRCGSA-N 1 0 459.659 4.666 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360140621 1065038036 /nfs/dbraw/zinc/03/80/36/1065038036.db2.gz HOXVGLRKRYIMOC-HXUWFJFHSA-N 1 0 479.591 4.799 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001360140704 1065038828 /nfs/dbraw/zinc/03/88/28/1065038828.db2.gz IZOJLGYBKPUWIG-PZJWPPBQSA-N 1 0 460.066 4.646 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360140840 1065038864 /nfs/dbraw/zinc/03/88/64/1065038864.db2.gz JPFNLLLLAADMSJ-IFMALSPDSA-N 1 0 477.600 4.878 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](COc3ccccc3)C2)C1 ZINC001360141366 1065039385 /nfs/dbraw/zinc/03/93/85/1065039385.db2.gz ONWOWJMCEOTHTP-DHIUTWEWSA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@@H]2C)C1 ZINC001360141586 1065040124 /nfs/dbraw/zinc/04/01/24/1065040124.db2.gz QMSYJKPFRXXNOA-RBUKOAKNSA-N 1 0 464.079 4.573 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCCCc2ccccc2)C1 ZINC001360141638 1065041031 /nfs/dbraw/zinc/04/10/31/1065041031.db2.gz QYBJIYVWSUGGIR-RPBOFIJWSA-N 1 0 453.675 4.752 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360142192 1065041771 /nfs/dbraw/zinc/04/17/71/1065041771.db2.gz UXPOFYACCWMFBV-YADHBBJMSA-N 1 0 460.066 4.506 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[C@@H]2CCOC2)CC1 ZINC001360143512 1065043525 /nfs/dbraw/zinc/04/35/25/1065043525.db2.gz IDODPQPTNYFTBB-QGZVFWFLSA-N 1 0 496.881 4.708 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[C@H]2CCOC2)CC1 ZINC001360143511 1065043557 /nfs/dbraw/zinc/04/35/57/1065043557.db2.gz IDODPQPTNYFTBB-KRWDZBQOSA-N 1 0 496.881 4.708 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSCC(F)(F)F)CC1 ZINC001360143436 1065044101 /nfs/dbraw/zinc/04/41/01/1065044101.db2.gz GRXJLAAZMORNHY-UHFFFAOYSA-N 1 0 493.603 4.551 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CCCC(F)(F)F)CC1 ZINC001360144755 1065046777 /nfs/dbraw/zinc/04/67/77/1065046777.db2.gz VIRPDKGCTAARKS-UHFFFAOYSA-N 1 0 474.369 4.971 20 0 JJADRO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)c1 ZINC001435890015 1065047231 /nfs/dbraw/zinc/04/72/31/1065047231.db2.gz RHQAYVFXDXYBSN-KRWDZBQOSA-N 1 0 458.027 4.968 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001360146832 1065048456 /nfs/dbraw/zinc/04/84/56/1065048456.db2.gz XZEWHFPEXKEPTH-SFTDATJTSA-N 1 0 464.580 4.553 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001545893974 1065049075 /nfs/dbraw/zinc/04/90/75/1065049075.db2.gz LTTJTIYUNRVJGR-RBUKOAKNSA-N 1 0 486.627 4.630 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CC3CC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360147287 1065049963 /nfs/dbraw/zinc/04/99/63/1065049963.db2.gz PCCRBMDRDYPOBM-NRFANRHFSA-N 1 0 453.528 4.772 20 0 JJADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360148076 1065050621 /nfs/dbraw/zinc/05/06/21/1065050621.db2.gz QHDSAFWWMLTVTA-INIZCTEOSA-N 1 0 457.503 4.798 20 0 JJADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360150479 1065054330 /nfs/dbraw/zinc/05/43/30/1065054330.db2.gz DBJODTXBMIFPBT-TZIWHRDSSA-N 1 0 451.474 4.595 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)[C@H](C)C1 ZINC001360151021 1065055145 /nfs/dbraw/zinc/05/51/45/1065055145.db2.gz PSUVXLOKQQIBRT-CRAIPNDOSA-N 1 0 455.546 4.696 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001360152192 1065055857 /nfs/dbraw/zinc/05/58/57/1065055857.db2.gz DKXCVDOEWJZNHV-UHFFFAOYSA-N 1 0 470.662 4.535 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001360153566 1065056334 /nfs/dbraw/zinc/05/63/34/1065056334.db2.gz ZOHDRYKRSDWLGG-DNQXCXABSA-N 1 0 467.702 4.824 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001360152644 1065056469 /nfs/dbraw/zinc/05/64/69/1065056469.db2.gz ROJLJUVUGVOQBC-UHFFFAOYSA-N 1 0 488.652 4.674 20 0 JJADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCCC(F)(F)C3)C2)CC1 ZINC001360156013 1065057215 /nfs/dbraw/zinc/05/72/15/1065057215.db2.gz NJWGRXMHAMKGQE-YADHBBJMSA-N 1 0 480.692 4.687 20 0 JJADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCCC(F)(F)C3)C2)CC1 ZINC001360156011 1065057350 /nfs/dbraw/zinc/05/73/50/1065057350.db2.gz NJWGRXMHAMKGQE-FGZHOGPDSA-N 1 0 480.692 4.687 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360156192 1065058114 /nfs/dbraw/zinc/05/81/14/1065058114.db2.gz UBRIABHFFZLYRM-UXHICEINSA-N 1 0 496.647 4.706 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(Br)cc1Br)[NH+](C)C ZINC001435922282 1065064767 /nfs/dbraw/zinc/06/47/67/1065064767.db2.gz IGUSGKQJHUTBKU-UGSOOPFHSA-N 1 0 454.206 4.941 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)[NH+](C)C ZINC001435923292 1065065637 /nfs/dbraw/zinc/06/56/37/1065065637.db2.gz VULOLWNBYGPSFR-PIKZIKFNSA-N 1 0 456.590 4.731 20 0 JJADRO CC(C)NC(=O)c1nnc(N(Cc2ccc(F)cc2)C(C)C)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001360181578 1065068802 /nfs/dbraw/zinc/06/88/02/1065068802.db2.gz KAFMHPSVGHWXBQ-XMMPIXPASA-N 1 0 484.664 4.768 20 0 JJADRO CSc1cccc(N(C(=O)c2cnn(-c3ccc(F)cc3F)c2C)C2CC[NH+](C)CC2)c1 ZINC001360192835 1065076265 /nfs/dbraw/zinc/07/62/65/1065076265.db2.gz ZMZWIKWPJCXDOF-UHFFFAOYSA-N 1 0 456.562 4.922 20 0 JJADRO CSc1cccc(N(C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)C2CC[NH+](C)CC2)c1 ZINC001360192434 1065076380 /nfs/dbraw/zinc/07/63/80/1065076380.db2.gz SNAOOCKTXCCKOC-UHFFFAOYSA-N 1 0 451.636 4.732 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001360195617 1065076875 /nfs/dbraw/zinc/07/68/75/1065076875.db2.gz WETCTAVHPMARBW-DEOSSOPVSA-N 1 0 480.701 4.591 20 0 JJADRO COc1ccc(OC(F)F)c(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001360232774 1065092642 /nfs/dbraw/zinc/09/26/42/1065092642.db2.gz WJUSFWWLAZULKE-XZOQPEGZSA-N 1 0 468.500 4.651 20 0 JJADRO Cc1c(Br)csc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001360257420 1065102947 /nfs/dbraw/zinc/10/29/47/1065102947.db2.gz RQULDXMYESDTFV-UHFFFAOYSA-N 1 0 450.402 4.886 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001436016608 1065115071 /nfs/dbraw/zinc/11/50/71/1065115071.db2.gz DONKYEKADKJYOA-OAQYLSRUSA-N 1 0 456.512 4.922 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001436020142 1065118048 /nfs/dbraw/zinc/11/80/48/1065118048.db2.gz BNCKAPVNRZPXCN-MHZLTWQESA-N 1 0 451.611 4.696 20 0 JJADRO Cc1ccc(CN(Cc2ccco2)C(=O)c2ccn(-c3cc[nH+]cc3)n2)c(Br)c1 ZINC001436023904 1065120982 /nfs/dbraw/zinc/12/09/82/1065120982.db2.gz UCTXRPARWFPHAO-UHFFFAOYSA-N 1 0 451.324 4.774 20 0 JJADRO Cc1nn(-c2ccc(C(=O)N3CC[NH+](C4CCC(C)CC4)CC3)cc2)c(C)c1Br ZINC001360294307 1065128896 /nfs/dbraw/zinc/12/88/96/1065128896.db2.gz GKJSUNVVHPXUNO-UHFFFAOYSA-N 1 0 459.432 4.588 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCCS2)CC1 ZINC001360304822 1065138636 /nfs/dbraw/zinc/13/86/36/1065138636.db2.gz DZAUNMAEAPULGU-HXUWFJFHSA-N 1 0 478.504 4.960 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001360305080 1065139471 /nfs/dbraw/zinc/13/94/71/1065139471.db2.gz ILABDJLWOKDUSA-ROUUACIJSA-N 1 0 477.600 4.717 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC001436048626 1065142687 /nfs/dbraw/zinc/14/26/87/1065142687.db2.gz JGQXTYVHENXAAX-JOCHJYFZSA-N 1 0 450.410 4.541 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001360307508 1065143076 /nfs/dbraw/zinc/14/30/76/1065143076.db2.gz XWGYCGCAMBAEQP-XXBNENTESA-N 1 0 457.638 4.892 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(F)(F)Br)CC1 ZINC001360307446 1065143145 /nfs/dbraw/zinc/14/31/45/1065143145.db2.gz WUMIETWPUMFCRN-UHFFFAOYSA-N 1 0 495.372 4.555 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001360309163 1065144521 /nfs/dbraw/zinc/14/45/21/1065144521.db2.gz SDGOQFRIWHOVTH-UNMCSNQZSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2OC2CCCC2)CC1 ZINC001360309383 1065145221 /nfs/dbraw/zinc/14/52/21/1065145221.db2.gz WICYRSDJLMOTSM-UHFFFAOYSA-N 1 0 454.663 4.598 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2ccncc2)CC1 ZINC001360309479 1065145273 /nfs/dbraw/zinc/14/52/73/1065145273.db2.gz FCFQCYFKIAOLAL-UHFFFAOYSA-N 1 0 476.669 4.759 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001360309494 1065145293 /nfs/dbraw/zinc/14/52/93/1065145293.db2.gz FNYFFTQMTKDXBP-ONTIZHBOSA-N 1 0 474.694 4.753 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 ZINC001360314796 1065149918 /nfs/dbraw/zinc/14/99/18/1065149918.db2.gz UEFAYROCLXPXQV-REWPJTCUSA-N 1 0 455.643 4.756 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360325510 1065167478 /nfs/dbraw/zinc/16/74/78/1065167478.db2.gz HFGIJHHEIVTWBS-WFIHMLKPSA-N 1 0 473.706 4.622 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)CCC(F)(F)F)n2C[C@@H](c2ccccc2)[NH+]2CCCC2)CCOC1 ZINC001360328966 1065171225 /nfs/dbraw/zinc/17/12/25/1065171225.db2.gz PBOVIDVAQFJPMT-XUZZJYLKSA-N 1 0 495.590 4.544 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1C(F)(F)F ZINC001436094783 1065176296 /nfs/dbraw/zinc/17/62/96/1065176296.db2.gz FGBPYFRLMMPXPJ-XMMPIXPASA-N 1 0 456.512 4.842 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc4ccc(F)cc4nc3C)c(OCC)c2)CC1 ZINC001436099809 1065179924 /nfs/dbraw/zinc/17/99/24/1065179924.db2.gz AKYMRRUUOUYLDD-UHFFFAOYSA-N 1 0 450.558 4.865 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC4CCCC4)nc3)c(OCC)c2)CC1 ZINC001436102201 1065181289 /nfs/dbraw/zinc/18/12/89/1065181289.db2.gz KBETVFULRMOICO-UHFFFAOYSA-N 1 0 452.599 4.586 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)c(OCC)c2)CC1 ZINC001436102756 1065181318 /nfs/dbraw/zinc/18/13/18/1065181318.db2.gz NNBBJDDQMLLTLB-FCHUYYIVSA-N 1 0 473.564 4.961 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCC(C(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCOC1 ZINC001360336111 1065183984 /nfs/dbraw/zinc/18/39/84/1065183984.db2.gz NJCKCPOCFIQKQF-HOFKKMOUSA-N 1 0 475.722 4.846 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCOC1 ZINC001360345757 1065195161 /nfs/dbraw/zinc/19/51/61/1065195161.db2.gz NJVHIXKLOLKOLQ-TXTKFYIRSA-N 1 0 487.611 4.533 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360352666 1065200482 /nfs/dbraw/zinc/20/04/82/1065200482.db2.gz VIYGFRSJPJLXRA-FOTFPPMPSA-N 1 0 497.675 4.557 20 0 JJADRO CC(C)Oc1ccc(Cn2c(N(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)cn1 ZINC001360357431 1065208437 /nfs/dbraw/zinc/20/84/37/1065208437.db2.gz JAFOZRKTZBSIFJ-DEOSSOPVSA-N 1 0 476.669 4.907 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001360360001 1065212607 /nfs/dbraw/zinc/21/26/07/1065212607.db2.gz NPPNITHOMYXUAR-VXKWHMMOSA-N 1 0 492.668 4.652 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001360360424 1065213832 /nfs/dbraw/zinc/21/38/32/1065213832.db2.gz UGJKPZSKBXQDCA-IBGZPJMESA-N 1 0 469.033 4.901 20 0 JJADRO CC(C)OC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001360367873 1065227188 /nfs/dbraw/zinc/22/71/88/1065227188.db2.gz NUPODJHRARLVFO-UHFFFAOYSA-N 1 0 471.690 4.889 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1csc(Br)c1C ZINC001436176750 1065230324 /nfs/dbraw/zinc/23/03/24/1065230324.db2.gz OUOWHWLBLFONHP-UHFFFAOYSA-N 1 0 453.402 4.878 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545895912 1065231492 /nfs/dbraw/zinc/23/14/92/1065231492.db2.gz HYJZMIQDMQQTSU-BWKNWUBXSA-N 1 0 480.701 4.660 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC001436177994 1065231596 /nfs/dbraw/zinc/23/15/96/1065231596.db2.gz ZEDSAWSJYQJOKF-UHFFFAOYSA-N 1 0 454.567 4.701 20 0 JJADRO CC(C)OCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001360376482 1065235060 /nfs/dbraw/zinc/23/50/60/1065235060.db2.gz FGOXEJYKXXTZIN-NRFANRHFSA-N 1 0 476.463 4.587 20 0 JJADRO CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360376741 1065236381 /nfs/dbraw/zinc/23/63/81/1065236381.db2.gz NDDGCENZGFXLLG-UHFFFAOYSA-N 1 0 493.494 4.696 20 0 JJADRO CC(C)OCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001360379291 1065239799 /nfs/dbraw/zinc/23/97/99/1065239799.db2.gz RRCDBBWPNSTBNK-HXUWFJFHSA-N 1 0 490.490 4.977 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2csc(-c3ccc(OC)cc3)n2)c1 ZINC001436197416 1065244797 /nfs/dbraw/zinc/24/47/97/1065244797.db2.gz ZGSWLMCCMDRFJR-UHFFFAOYSA-N 1 0 453.564 4.570 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197597 1065245530 /nfs/dbraw/zinc/24/55/30/1065245530.db2.gz KKLAFHWXFYJMFM-DFIYOIEZSA-N 1 0 458.046 4.762 20 0 JJADRO CC(C)OCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001360385520 1065248645 /nfs/dbraw/zinc/24/86/45/1065248645.db2.gz FNUXGRRJTXEWRE-UHFFFAOYSA-N 1 0 483.060 4.909 20 0 JJADRO CC(C)OCCCn1c(-c2ccccc2Br)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001360386466 1065250538 /nfs/dbraw/zinc/25/05/38/1065250538.db2.gz CWBQMQJBRWTXIP-UHFFFAOYSA-N 1 0 490.490 4.977 20 0 JJADRO CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC001360387119 1065251171 /nfs/dbraw/zinc/25/11/71/1065251171.db2.gz AEZFXPNEFPEIAT-BJKOFHAPSA-N 1 0 453.652 4.749 20 0 JJADRO Cc1cc(C(C)(C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1Br ZINC001436206715 1065251212 /nfs/dbraw/zinc/25/12/12/1065251212.db2.gz VWAJQYPPAXPAAQ-UHFFFAOYSA-N 1 0 459.428 4.825 20 0 JJADRO CC(C)OCCCn1c(-c2cccn2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001360386757 1065251317 /nfs/dbraw/zinc/25/13/17/1065251317.db2.gz NUXWKAWODZFKNO-UPVQGACJSA-N 1 0 464.658 4.588 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001360387494 1065252075 /nfs/dbraw/zinc/25/20/75/1065252075.db2.gz IXRDGNMGKCNIAE-PMACEKPBSA-N 1 0 451.464 4.521 20 0 JJADRO CC(C)OCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001360398925 1065263791 /nfs/dbraw/zinc/26/37/91/1065263791.db2.gz OJVSSZOGMYODRY-FQEVSTJZSA-N 1 0 461.054 4.511 20 0 JJADRO CC(C)OCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360406802 1065269271 /nfs/dbraw/zinc/26/92/71/1065269271.db2.gz XDPXQYPPMDDLTC-ZJSXRUAMSA-N 1 0 467.683 4.845 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC2CCOCC2)CC1 ZINC001360409292 1065272438 /nfs/dbraw/zinc/27/24/38/1065272438.db2.gz CMWKMHKEDDHISA-UHFFFAOYSA-N 1 0 496.483 4.616 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001360409485 1065273114 /nfs/dbraw/zinc/27/31/14/1065273114.db2.gz JGEMPPCOHYIFBV-GOSISDBHSA-N 1 0 467.992 4.581 20 0 JJADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001360411928 1065275129 /nfs/dbraw/zinc/27/51/29/1065275129.db2.gz JDBLPMQQXGAYOW-INIZCTEOSA-N 1 0 457.290 4.742 20 0 JJADRO COC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c(Cl)c1 ZINC001436254802 1065276240 /nfs/dbraw/zinc/27/62/40/1065276240.db2.gz JXPVYVRNVWBOFP-UHFFFAOYSA-N 1 0 452.338 4.897 20 0 JJADRO COc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3OC3CC[NH+](C)CC3)cc2C)cc1 ZINC001436256250 1065276917 /nfs/dbraw/zinc/27/69/17/1065276917.db2.gz ZSIIUKKZSOASAU-UHFFFAOYSA-N 1 0 454.958 4.568 20 0 JJADRO COc1ccc(CC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c(Cl)c1OC ZINC001436255777 1065276950 /nfs/dbraw/zinc/27/69/50/1065276950.db2.gz SLSLCLFVAOBMNS-UHFFFAOYSA-N 1 0 453.366 4.665 20 0 JJADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cccc(-n2cccc2)c1 ZINC001436259706 1065278673 /nfs/dbraw/zinc/27/86/73/1065278673.db2.gz WTEISOROJSJTFE-QGZVFWFLSA-N 1 0 453.384 4.632 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001436279494 1065285632 /nfs/dbraw/zinc/28/56/32/1065285632.db2.gz MXHMLULOAZNTOT-IBGZPJMESA-N 1 0 456.512 4.544 20 0 JJADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001436281560 1065286296 /nfs/dbraw/zinc/28/62/96/1065286296.db2.gz UQTLKDHISPPFAV-GOSISDBHSA-N 1 0 454.977 4.626 20 0 JJADRO C[C@H]1CN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001436281600 1065286373 /nfs/dbraw/zinc/28/63/73/1065286373.db2.gz UXDZVPLZMKHYCE-OAHLLOKOSA-N 1 0 453.327 4.645 20 0 JJADRO CC(C)SCCn1c(Cc2ccsc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001360422595 1065288998 /nfs/dbraw/zinc/28/89/98/1065288998.db2.gz FOBBDYMQYIDUCA-HXUWFJFHSA-N 1 0 455.697 4.783 20 0 JJADRO CC(C)SCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001360425081 1065294388 /nfs/dbraw/zinc/29/43/88/1065294388.db2.gz UQCLMNHUIRXNSQ-FGZHOGPDSA-N 1 0 463.736 4.793 20 0 JJADRO CC(C)SCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001360425205 1065295087 /nfs/dbraw/zinc/29/50/87/1065295087.db2.gz YYCVANIKQHSWNG-LJQANCHMSA-N 1 0 496.146 4.524 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1)C(C)C ZINC001360431249 1065307597 /nfs/dbraw/zinc/30/75/97/1065307597.db2.gz BXLKTFNYOBXLFN-LJQANCHMSA-N 1 0 456.585 4.858 20 0 JJADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)cc2)CC1 ZINC001360432883 1065310594 /nfs/dbraw/zinc/31/05/94/1065310594.db2.gz SSFVPKOYJOMRPG-UHFFFAOYSA-N 1 0 454.880 4.827 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC001436429385 1065317076 /nfs/dbraw/zinc/31/70/76/1065317076.db2.gz DUJLRBDFJVTTKE-XNMGPUDCSA-N 1 0 450.623 4.660 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360437171 1065317909 /nfs/dbraw/zinc/31/79/09/1065317909.db2.gz DWQFECJTARUGBE-XNZYNNNKSA-N 1 0 489.705 4.971 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCCCC1 ZINC001360438332 1065319723 /nfs/dbraw/zinc/31/97/23/1065319723.db2.gz XQJTZIZNPNLWMW-HXUWFJFHSA-N 1 0 450.606 4.865 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1Cc1sccc1C ZINC001545898518 1065324268 /nfs/dbraw/zinc/32/42/68/1065324268.db2.gz VVDFZCXEZVWRAO-SFTDATJTSA-N 1 0 486.730 4.706 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1Cc1sccc1C ZINC001545898515 1065324418 /nfs/dbraw/zinc/32/44/18/1065324418.db2.gz VVDFZCXEZVWRAO-LEWJYISDSA-N 1 0 486.730 4.706 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1sccc1C ZINC001545898517 1065324444 /nfs/dbraw/zinc/32/44/44/1065324444.db2.gz VVDFZCXEZVWRAO-RTWAWAEBSA-N 1 0 486.730 4.706 20 0 JJADRO C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cccn2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360443861 1065330587 /nfs/dbraw/zinc/33/05/87/1065330587.db2.gz ITHXSAVEEDMIPF-CYFREDJKSA-N 1 0 450.631 4.697 20 0 JJADRO O=C(OCc1ccc(Br)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001436487313 1065332568 /nfs/dbraw/zinc/33/25/68/1065332568.db2.gz OXQYBJOTVMQJQD-XZOQPEGZSA-N 1 0 451.364 4.803 20 0 JJADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360445424 1065333129 /nfs/dbraw/zinc/33/31/29/1065333129.db2.gz BTJHDFNVWLAUEM-ZJSXRUAMSA-N 1 0 482.717 4.742 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360450402 1065341272 /nfs/dbraw/zinc/34/12/72/1065341272.db2.gz LUCMWOOEICZGNZ-HUVFLSCGSA-N 1 0 496.700 4.930 20 0 JJADRO C[C@@H](c1ccccc1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+](C)C1CCCCC1 ZINC001360450600 1065342438 /nfs/dbraw/zinc/34/24/38/1065342438.db2.gz OZEOWWYFSRPRDL-FQEVSTJZSA-N 1 0 480.682 4.732 20 0 JJADRO CO[C@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1Br ZINC001436523697 1065343089 /nfs/dbraw/zinc/34/30/89/1065343089.db2.gz JVHFSJLFWBXQQE-QFIPXVFZSA-N 1 0 457.412 4.651 20 0 JJADRO C[C@@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001360450997 1065343156 /nfs/dbraw/zinc/34/31/56/1065343156.db2.gz UVAVXVVUINYQPY-JTHBVZDNSA-N 1 0 482.673 4.686 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001360450993 1065343269 /nfs/dbraw/zinc/34/32/69/1065343269.db2.gz UVAVXVVUINYQPY-FYYLOGMGSA-N 1 0 482.673 4.686 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360451238 1065343661 /nfs/dbraw/zinc/34/36/61/1065343661.db2.gz XWYQADUPZVBUEE-HYBUGGRVSA-N 1 0 496.700 4.930 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360453941 1065349428 /nfs/dbraw/zinc/34/94/28/1065349428.db2.gz BDHRMAYVYXNVQE-JLTOFOAXSA-N 1 0 496.500 4.997 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](C)C1CCCC1 ZINC001360454726 1065353476 /nfs/dbraw/zinc/35/34/76/1065353476.db2.gz PVRPGTXJYQYJOJ-INIZCTEOSA-N 1 0 475.435 4.711 20 0 JJADRO COc1ccc(CCC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1Br ZINC001360455480 1065355328 /nfs/dbraw/zinc/35/53/28/1065355328.db2.gz MRLZLMXEQUEDAV-GHTZIAJQSA-N 1 0 459.428 4.902 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001360458967 1065359703 /nfs/dbraw/zinc/35/97/03/1065359703.db2.gz CYLFYPVCJLUGRT-XXBNENTESA-N 1 0 459.428 4.520 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3cncc(Br)c3n2)CC[N@@H+]1Cc1ccccc1 ZINC001360459156 1065360481 /nfs/dbraw/zinc/36/04/81/1065360481.db2.gz FZUDOOYYVLMNHF-APWZRJJASA-N 1 0 453.384 4.517 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001360461462 1065367161 /nfs/dbraw/zinc/36/71/61/1065367161.db2.gz VHVZCTNBXWPGOT-QUURXOELSA-N 1 0 495.668 4.976 20 0 JJADRO C[C@@H](c1cccs1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001360462729 1065371161 /nfs/dbraw/zinc/37/11/61/1065371161.db2.gz KZGCEXUQGRXOET-PMACEKPBSA-N 1 0 488.702 4.747 20 0 JJADRO CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC001436569260 1065371428 /nfs/dbraw/zinc/37/14/28/1065371428.db2.gz AXBGBYJMWVLCDW-YFHOEESVSA-N 1 0 456.486 4.536 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(Cl)c(F)cc2Br)c1 ZINC001436580253 1065379419 /nfs/dbraw/zinc/37/94/19/1065379419.db2.gz RCAKHSYDNMJCLX-UHFFFAOYSA-N 1 0 456.743 4.774 20 0 JJADRO CCC[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC[N@@H+]1CCOC ZINC001545899668 1065380199 /nfs/dbraw/zinc/38/01/99/1065380199.db2.gz WHTQXWGZBHIQCF-QGZVFWFLSA-N 1 0 454.398 4.540 20 0 JJADRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC001436601459 1065393936 /nfs/dbraw/zinc/39/39/36/1065393936.db2.gz WWOSMMBMMKEZNH-GOTSBHOMSA-N 1 0 457.659 4.583 20 0 JJADRO CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001360480261 1065399065 /nfs/dbraw/zinc/39/90/65/1065399065.db2.gz SQQZHHYOWQKMDA-XDWGWCSASA-N 1 0 475.658 4.983 20 0 JJADRO COc1ccc2c(C)c(CCC(=O)N(C[C@H](C)[NH+](C)C)c3c(C)cccc3C)c(=O)oc2c1 ZINC001436637563 1065410465 /nfs/dbraw/zinc/41/04/65/1065410465.db2.gz LREMOLXGLCDXEA-IBGZPJMESA-N 1 0 450.579 4.643 20 0 JJADRO COc1ccc(-c2noc(CCCC(=O)N(C[C@H](C)[NH+](C)C)c3c(C)cccc3C)n2)cc1 ZINC001436638572 1065411491 /nfs/dbraw/zinc/41/14/91/1065411491.db2.gz VXUVNQFFLXMSGL-FQEVSTJZSA-N 1 0 450.583 4.668 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360500516 1065422173 /nfs/dbraw/zinc/42/21/73/1065422173.db2.gz NFJINEHPUHGAGL-LJQANCHMSA-N 1 0 455.647 4.915 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360502863 1065428899 /nfs/dbraw/zinc/42/88/99/1065428899.db2.gz FCIGWZZGJZYKOM-CKUXNOBLSA-N 1 0 467.614 4.579 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360503390 1065431410 /nfs/dbraw/zinc/43/14/10/1065431410.db2.gz KFIUFSRFMCYNEU-XXBNENTESA-N 1 0 476.650 4.868 20 0 JJADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360503388 1065431454 /nfs/dbraw/zinc/43/14/54/1065431454.db2.gz KFIUFSRFMCYNEU-CVDCTZTESA-N 1 0 476.650 4.868 20 0 JJADRO C[C@H](CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCO1)[NH+]1CCCCC1 ZINC001360505161 1065439104 /nfs/dbraw/zinc/43/91/04/1065439104.db2.gz JBCBTWJXZXBXOO-IEBWSBKVSA-N 1 0 450.002 4.617 20 0 JJADRO C[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC001360505487 1065440725 /nfs/dbraw/zinc/44/07/25/1065440725.db2.gz PFXHGNLVAYPODR-MSOLQXFVSA-N 1 0 471.447 4.935 20 0 JJADRO C[C@@H](CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCOC1)[NH+]1CCCCC1 ZINC001360505383 1065440791 /nfs/dbraw/zinc/44/07/91/1065440791.db2.gz NPPLTZNUOKIALM-VQTJNVASSA-N 1 0 490.490 4.835 20 0 JJADRO C[C@@H](CCn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl)[NH+]1CCCCC1 ZINC001360505491 1065441460 /nfs/dbraw/zinc/44/14/60/1065441460.db2.gz PHWHDWKJSQZXKF-FQEVSTJZSA-N 1 0 469.033 4.773 20 0 JJADRO C[C@H](CCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1)[NH+]1CCCCC1 ZINC001360505695 1065442331 /nfs/dbraw/zinc/44/23/31/1065442331.db2.gz SOESXVKMUVTWSE-JOQLQMTESA-N 1 0 480.682 4.539 20 0 JJADRO C[C@@H](CCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360505979 1065443117 /nfs/dbraw/zinc/44/31/17/1065443117.db2.gz YQMSDLUVYABPOV-NRFANRHFSA-N 1 0 482.673 4.703 20 0 JJADRO CC(C)n1nc(-c2nnc(N(C)CC(C)(C)C)n2CC[C@H](C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001360508336 1065447057 /nfs/dbraw/zinc/44/70/57/1065447057.db2.gz AFYMHOJSICCOQP-NRFANRHFSA-N 1 0 493.700 4.983 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(Br)c1)[NH+]1CCCCC1 ZINC001360508625 1065448093 /nfs/dbraw/zinc/44/80/93/1065448093.db2.gz GJNMIRBPYXNEBU-FPOVZHCZSA-N 1 0 490.490 4.836 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)o1)[NH+]1CCCCC1 ZINC001360508829 1065448185 /nfs/dbraw/zinc/44/81/85/1065448185.db2.gz JIODWRKTIPZLNI-PKOBYXMFSA-N 1 0 480.451 4.776 20 0 JJADRO C[C@@H](CCn1c(C2CCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360508731 1065448196 /nfs/dbraw/zinc/44/81/96/1065448196.db2.gz IBDYDWZKISTAIL-URXFXBBRSA-N 1 0 496.700 4.902 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCCO2)nnc1N1CCSC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509448 1065449704 /nfs/dbraw/zinc/44/97/04/1065449704.db2.gz SKXVOCFMTVAPAR-RBBKRZOGSA-N 1 0 457.688 4.762 20 0 JJADRO C[C@@H](CCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(Br)c1)[NH+]1CCCCC1 ZINC001360510582 1065454853 /nfs/dbraw/zinc/45/48/53/1065454853.db2.gz NWPPQOFVLAKSDG-FQEVSTJZSA-N 1 0 497.485 4.927 20 0 JJADRO C[C@@H](CCn1c(Cc2ccsc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360510734 1065455628 /nfs/dbraw/zinc/45/56/28/1065455628.db2.gz OXCJNPDOEAGJCM-MBSDFSHPSA-N 1 0 499.647 4.725 20 0 JJADRO C[C@H](CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCCCC1 ZINC001360511614 1065457134 /nfs/dbraw/zinc/45/71/34/1065457134.db2.gz ZDPMDSKSFWMNDJ-HSALFYBXSA-N 1 0 479.591 4.988 20 0 JJADRO C[C@H](CCn1c(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511727 1065458152 /nfs/dbraw/zinc/45/81/52/1065458152.db2.gz ZHHYCAQBTUEAGY-OAQYLSRUSA-N 1 0 490.737 4.923 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCO2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCCCC1 ZINC001360514472 1065466866 /nfs/dbraw/zinc/46/68/66/1065466866.db2.gz UMSOUXAKZIDJSP-SJLPKXTDSA-N 1 0 482.492 4.855 20 0 JJADRO C[C@H](CCn1c(Nc2cnn(C)c2)nnc1-c1ccc(F)cc1Br)[NH+]1CCCCC1 ZINC001360514684 1065469082 /nfs/dbraw/zinc/46/90/82/1065469082.db2.gz XXZJDSQTZIKHKH-OAHLLOKOSA-N 1 0 476.398 4.588 20 0 JJADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001360517113 1065479245 /nfs/dbraw/zinc/47/92/45/1065479245.db2.gz XIVGPXSXLXIUOH-NRFANRHFSA-N 1 0 488.721 4.578 20 0 JJADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)/C=C\c1nc2ccccc2s1 ZINC001436961483 1065482178 /nfs/dbraw/zinc/48/21/78/1065482178.db2.gz WPTGCWOKGIBSEQ-KHPPLWFESA-N 1 0 459.413 4.709 20 0 JJADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1C(C)(C)C ZINC001360519529 1065487354 /nfs/dbraw/zinc/48/73/54/1065487354.db2.gz OQKZJQJYQZPKNT-SJBKTWHCSA-N 1 0 488.721 4.532 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001360520376 1065492291 /nfs/dbraw/zinc/49/22/91/1065492291.db2.gz FNTYCDJTVIBFTC-LJQANCHMSA-N 1 0 463.655 4.858 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545903921 1065494642 /nfs/dbraw/zinc/49/46/42/1065494642.db2.gz KSCAJBAFLOHOQN-TZBSWOFLSA-N 1 0 480.701 4.906 20 0 JJADRO C[C@@H](CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1)c1nccs1 ZINC001360521681 1065496542 /nfs/dbraw/zinc/49/65/42/1065496542.db2.gz XXGSOYHNQUQYKI-AOMKIAJQSA-N 1 0 477.103 4.732 20 0 JJADRO CSc1ncc(C(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1-c1ccc(F)cc1 ZINC001437035223 1065498697 /nfs/dbraw/zinc/49/86/97/1065498697.db2.gz YAZSNARHPSFLGN-QFIPXVFZSA-N 1 0 452.599 4.858 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001545904151 1065499735 /nfs/dbraw/zinc/49/97/35/1065499735.db2.gz PFPKTLZIZAIKHY-LEWJYISDSA-N 1 0 472.703 4.720 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccc(OC)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001545904342 1065503202 /nfs/dbraw/zinc/50/32/02/1065503202.db2.gz SKIPTUAKBAMLST-SQJMNOBHSA-N 1 0 496.700 4.667 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2OC)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545904458 1065504063 /nfs/dbraw/zinc/50/40/63/1065504063.db2.gz VUNJOUWUXQAZSD-URXFXBBRSA-N 1 0 496.700 4.667 20 0 JJADRO C[C@@H](CN(C)c1nnc(Cc2ccncc2)n1C[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001360526269 1065504318 /nfs/dbraw/zinc/50/43/18/1065504318.db2.gz INAJDJHIFIPVRQ-REWPJTCUSA-N 1 0 460.651 4.868 20 0 JJADRO C[C@@H](CN(C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)C[NH+](C)C)c1nccs1 ZINC001360526570 1065505564 /nfs/dbraw/zinc/50/55/64/1065505564.db2.gz OQPBBLSTICMWTE-IBGZPJMESA-N 1 0 465.671 4.565 20 0 JJADRO C[C@H](CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)[NH+](C)C)c1nccs1 ZINC001360530239 1065510470 /nfs/dbraw/zinc/51/04/70/1065510470.db2.gz VJJQMXBSOSYKEA-MOPGFXCFSA-N 1 0 470.687 4.801 20 0 JJADRO C[C@H](CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)[NH+](C)C)c1nccs1 ZINC001360530242 1065510514 /nfs/dbraw/zinc/51/05/14/1065510514.db2.gz VJJQMXBSOSYKEA-RTBURBONSA-N 1 0 470.687 4.801 20 0 JJADRO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001437176772 1065516656 /nfs/dbraw/zinc/51/66/56/1065516656.db2.gz AWVZNPKSUQXXRY-KFWWJZLASA-N 1 0 454.398 4.999 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001360535168 1065516750 /nfs/dbraw/zinc/51/67/50/1065516750.db2.gz ALURKRVGGLWZSJ-RTBURBONSA-N 1 0 491.080 4.632 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2C[C@]1(C)CCC2)[NH+](C)C ZINC001360535169 1065516851 /nfs/dbraw/zinc/51/68/51/1065516851.db2.gz ANVSPVZKXMPAPV-PZPWOCDFSA-N 1 0 450.400 4.566 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)c2ccccc2)CC1 ZINC001360535714 1065517358 /nfs/dbraw/zinc/51/73/58/1065517358.db2.gz GQQKDRLRWRBMAG-SFHVURJKSA-N 1 0 471.447 4.760 20 0 JJADRO C[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001360535985 1065517963 /nfs/dbraw/zinc/51/79/63/1065517963.db2.gz JBEWAQOGJBSNDO-OAHLLOKOSA-N 1 0 483.604 4.573 20 0 JJADRO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001437190928 1065518312 /nfs/dbraw/zinc/51/83/12/1065518312.db2.gz GYNCNEOWUYKLPH-KRWDZBQOSA-N 1 0 452.813 4.818 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001545905443 1065518395 /nfs/dbraw/zinc/51/83/95/1065518395.db2.gz BJKDOOFJQGWGHP-AJTFRIOCSA-N 1 0 470.706 4.644 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001360536231 1065518538 /nfs/dbraw/zinc/51/85/38/1065518538.db2.gz LMRFGGXAALAVCY-LBPRGKRZSA-N 1 0 469.861 4.870 20 0 JJADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1 ZINC001437226671 1065522404 /nfs/dbraw/zinc/52/24/04/1065522404.db2.gz RJGBMVYCRGORAV-UHFFFAOYSA-N 1 0 457.578 4.645 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360540614 1065525463 /nfs/dbraw/zinc/52/54/63/1065525463.db2.gz HNTDDBUNLQHUBR-OFNKIYASSA-N 1 0 494.728 4.856 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360540612 1065525542 /nfs/dbraw/zinc/52/55/42/1065525542.db2.gz HNTDDBUNLQHUBR-NFBKMPQASA-N 1 0 494.728 4.856 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC001360541130 1065527471 /nfs/dbraw/zinc/52/74/71/1065527471.db2.gz IFCAAMJUWGUGTO-KBPBESRZSA-N 1 0 459.919 4.999 20 0 JJADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1c1ccco1)[NH+](C)C ZINC001360541444 1065528738 /nfs/dbraw/zinc/52/87/38/1065528738.db2.gz LPKOETFADDYDEY-RDTXWAMCSA-N 1 0 462.367 4.731 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)[NH+](C)C ZINC001360542378 1065531298 /nfs/dbraw/zinc/53/12/98/1065531298.db2.gz UXSQQNUEAWXUEA-CQSZACIVSA-N 1 0 499.944 4.745 20 0 JJADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCc1cccs1)[NH+](C)C ZINC001360542259 1065531366 /nfs/dbraw/zinc/53/13/66/1065531366.db2.gz SNLMEIOQSUXDQU-CQSZACIVSA-N 1 0 466.424 4.537 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360544833 1065534771 /nfs/dbraw/zinc/53/47/71/1065534771.db2.gz QXNQLQAIBGHYDO-CEXWTWQISA-N 1 0 489.064 4.527 20 0 JJADRO CC(C)(C)n1ncc(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)c1Br ZINC001437320694 1065536703 /nfs/dbraw/zinc/53/67/03/1065536703.db2.gz SGTCRSWECUTWGF-UHFFFAOYSA-N 1 0 451.434 4.841 20 0 JJADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001437320104 1065536993 /nfs/dbraw/zinc/53/69/93/1065536993.db2.gz RJVJBWGDIDQDBP-AAGTZVQDSA-N 1 0 457.659 4.970 20 0 JJADRO CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001437376467 1065544832 /nfs/dbraw/zinc/54/48/32/1065544832.db2.gz KOKNVNRXCZJOTQ-IZZNHLLZSA-N 1 0 450.623 4.645 20 0 JJADRO C[C@H](Cn1c(C2CC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC001360555666 1065545842 /nfs/dbraw/zinc/54/58/42/1065545842.db2.gz WYTBSGJSQYGQPF-OAHLLOKOSA-N 1 0 475.481 4.997 20 0 JJADRO CC(C)c1cccc(NC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001437409555 1065548025 /nfs/dbraw/zinc/54/80/25/1065548025.db2.gz GMYMWHKXHLOOBR-IZZNHLLZSA-N 1 0 457.574 4.603 20 0 JJADRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360558962 1065548469 /nfs/dbraw/zinc/54/84/69/1065548469.db2.gz VXKUULVOTBJYDA-FGZHOGPDSA-N 1 0 488.721 4.893 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1)[N@H+](C)Cc1ccccc1 ZINC001360568954 1065561529 /nfs/dbraw/zinc/56/15/29/1065561529.db2.gz HLTOVXMSZDPJGN-JTHBVZDNSA-N 1 0 463.674 4.505 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1)[N@H+](C)Cc1ccccc1 ZINC001360568949 1065561607 /nfs/dbraw/zinc/56/16/07/1065561607.db2.gz HLTOVXMSZDPJGN-FYYLOGMGSA-N 1 0 463.674 4.505 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC001360568998 1065561624 /nfs/dbraw/zinc/56/16/24/1065561624.db2.gz ICTHQNNWSZCKEI-PMACEKPBSA-N 1 0 452.672 4.838 20 0 JJADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC001360574932 1065570748 /nfs/dbraw/zinc/57/07/48/1065570748.db2.gz QFPPQPOHRUAQBD-SIKLNZKXSA-N 1 0 472.559 4.563 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)c2nccs2)CC1 ZINC001360577376 1065572577 /nfs/dbraw/zinc/57/25/77/1065572577.db2.gz BDRYLKXFNPKXCP-OAQYLSRUSA-N 1 0 466.699 4.880 20 0 JJADRO COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC001437553423 1065572635 /nfs/dbraw/zinc/57/26/35/1065572635.db2.gz KZZNYJVUMFORPI-AWEZNQCLSA-N 1 0 455.605 4.796 20 0 JJADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1nccs1)[N@H+](C)Cc1ccccc1 ZINC001360579627 1065576228 /nfs/dbraw/zinc/57/62/28/1065576228.db2.gz TUUHPUIQPOZNEH-SFHVURJKSA-N 1 0 452.653 4.544 20 0 JJADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001437560441 1065576927 /nfs/dbraw/zinc/57/69/27/1065576927.db2.gz DLWFCAKQCAQTJY-HXUWFJFHSA-N 1 0 459.993 4.593 20 0 JJADRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2scc(Br)c2Br)C1 ZINC001437576500 1065579576 /nfs/dbraw/zinc/57/95/76/1065579576.db2.gz BHOAVIGXRBWCKP-LBPRGKRZSA-N 1 0 458.219 4.796 20 0 JJADRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC001437584674 1065581872 /nfs/dbraw/zinc/58/18/72/1065581872.db2.gz SKDIPWLOZJFDBD-KRWDZBQOSA-N 1 0 458.425 4.901 20 0 JJADRO Cc1cc(Br)ccc1CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001360585926 1065585340 /nfs/dbraw/zinc/58/53/40/1065585340.db2.gz YIJJANOUXIHFKO-HXUWFJFHSA-N 1 0 455.318 4.828 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001437651140 1065588462 /nfs/dbraw/zinc/58/84/62/1065588462.db2.gz FYTMRFXTVSCMMV-HNNXBMFYSA-N 1 0 452.780 4.892 20 0 JJADRO C[C@H](Cn1c(N2CCC[C@@H](Oc3ncccc3F)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360587482 1065589148 /nfs/dbraw/zinc/58/91/48/1065589148.db2.gz QHJPZIMEMFFGFU-IFMALSPDSA-N 1 0 480.632 4.678 20 0 JJADRO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C)[N@H+](C)C1CC1 ZINC001360587793 1065589899 /nfs/dbraw/zinc/58/98/99/1065589899.db2.gz PQJGUXSXHDLJFG-IAGOWNOFSA-N 1 0 464.079 4.710 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC001360589978 1065594509 /nfs/dbraw/zinc/59/45/09/1065594509.db2.gz BEECECQUXXNTBU-UZLBHIALSA-N 1 0 495.043 4.729 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1)[NH+](C)C ZINC001360590322 1065595083 /nfs/dbraw/zinc/59/50/83/1065595083.db2.gz HJRZEHSCPRJFBB-FTBPSBKWSA-N 1 0 483.701 4.580 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360591247 1065598358 /nfs/dbraw/zinc/59/83/58/1065598358.db2.gz ZNDBFFPUOCINLQ-ZVDOUQERSA-N 1 0 474.694 4.705 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCc1nccs1)C[NH+]1CCCC1 ZINC001360592112 1065600197 /nfs/dbraw/zinc/60/01/97/1065600197.db2.gz PLUJJBSRUZFRFJ-KRWDZBQOSA-N 1 0 489.487 4.575 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(F)F)C[NH+]1CCCC1 ZINC001360592395 1065600918 /nfs/dbraw/zinc/60/09/18/1065600918.db2.gz UTCBTSNUZITDRA-CQSZACIVSA-N 1 0 474.369 4.670 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593065 1065602566 /nfs/dbraw/zinc/60/25/66/1065602566.db2.gz DEFQGAJXLVLLHL-IRLDBZIGSA-N 1 0 474.694 4.503 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCC1)C[NH+]1CCCC1 ZINC001360593537 1065603339 /nfs/dbraw/zinc/60/33/39/1065603339.db2.gz HEDWLYNVWXXJIR-MRXNPFEDSA-N 1 0 464.427 4.815 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001360593967 1065604017 /nfs/dbraw/zinc/60/40/17/1065604017.db2.gz MQEQJILDXZMWJD-GCJKJVERSA-N 1 0 496.483 4.757 20 0 JJADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594368 1065604953 /nfs/dbraw/zinc/60/49/53/1065604953.db2.gz QRUZPTUWVUMNGR-RBBKRZOGSA-N 1 0 457.638 4.524 20 0 JJADRO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC(C)(C)C1)C[NH+]1CCCC1 ZINC001360594961 1065605586 /nfs/dbraw/zinc/60/55/86/1065605586.db2.gz WMXNHJHDMVCGLJ-YSFYHYPLSA-N 1 0 488.721 4.653 20 0 JJADRO C[C@H](Cn1c(COc2ccccc2F)nnc1N(C)[C@@H](C)c1cccs1)C[NH+]1CCCC1 ZINC001360595393 1065606657 /nfs/dbraw/zinc/60/66/57/1065606657.db2.gz ZWLBCRWCTWQBPX-OALUTQOASA-N 1 0 457.619 4.987 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360596564 1065609739 /nfs/dbraw/zinc/60/97/39/1065609739.db2.gz CDYWOKDDIMPFHB-KURKYZTESA-N 1 0 466.457 4.988 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC001360596580 1065609849 /nfs/dbraw/zinc/60/98/49/1065609849.db2.gz COSGKKREOCBUOJ-FXAWDEMLSA-N 1 0 478.504 4.771 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360596749 1065610485 /nfs/dbraw/zinc/61/04/85/1065610485.db2.gz GONZVUOQXQTISV-KNQAVFIVSA-N 1 0 477.600 4.674 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC(C)(C)OC[C@@H]1C)C[NH+]1CCCCC1 ZINC001360596867 1065611250 /nfs/dbraw/zinc/61/12/50/1065611250.db2.gz JBPASNMGHJFYBC-OALUTQOASA-N 1 0 490.490 4.833 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCSCC1)C[NH+]1CCCCC1 ZINC001360596785 1065611300 /nfs/dbraw/zinc/61/13/00/1065611300.db2.gz HEXDAIDWXVWZAO-MRXNPFEDSA-N 1 0 482.467 4.522 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360597405 1065613815 /nfs/dbraw/zinc/61/38/15/1065613815.db2.gz OKRLWTYERITTBE-HXUWFJFHSA-N 1 0 457.638 4.990 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360597404 1065613869 /nfs/dbraw/zinc/61/38/69/1065613869.db2.gz OKRLWTYERITTBE-FQEVSTJZSA-N 1 0 457.638 4.990 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC001360597584 1065614556 /nfs/dbraw/zinc/61/45/56/1065614556.db2.gz PWBNSPCFPRDXLS-PMACEKPBSA-N 1 0 490.490 4.692 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597590 1065614613 /nfs/dbraw/zinc/61/46/13/1065614613.db2.gz PWFSZKWLERQYJJ-ROUUACIJSA-N 1 0 494.453 4.584 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360597562 1065614619 /nfs/dbraw/zinc/61/46/19/1065614619.db2.gz POCINSBPCLQPMI-DLBZAZTESA-N 1 0 482.492 4.506 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360597571 1065614627 /nfs/dbraw/zinc/61/46/27/1065614627.db2.gz POHPXOACEZOOQU-UGKGYDQZSA-N 1 0 490.490 4.835 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(F)(F)F)C[NH+]1CCCCC1 ZINC001360597898 1065616026 /nfs/dbraw/zinc/61/60/26/1065616026.db2.gz SMNYESQKYAGLBE-OAHLLOKOSA-N 1 0 461.479 4.667 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)S[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360597970 1065616675 /nfs/dbraw/zinc/61/66/75/1065616675.db2.gz UCEGIVYLTCRPHN-GUDVDZBRSA-N 1 0 479.641 4.999 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc(Cc2ccncc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360598428 1065618446 /nfs/dbraw/zinc/61/84/46/1065618446.db2.gz BCSQHNMCPFQZCO-LEWJYISDSA-N 1 0 450.606 4.722 20 0 JJADRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360599167 1065619980 /nfs/dbraw/zinc/61/99/80/1065619980.db2.gz LGIIKMCGGCOVFV-SFTDATJTSA-N 1 0 488.721 4.797 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360599069 1065619986 /nfs/dbraw/zinc/61/99/86/1065619986.db2.gz JVCHAKKSTZEZDV-NHCUHLMSSA-N 1 0 474.694 4.503 20 0 JJADRO C[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360599068 1065620023 /nfs/dbraw/zinc/62/00/23/1065620023.db2.gz JVCHAKKSTZEZDV-LEWJYISDSA-N 1 0 474.694 4.503 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cccn2C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360599274 1065620666 /nfs/dbraw/zinc/62/06/66/1065620666.db2.gz MZVINBGLIBHHEX-RBUKOAKNSA-N 1 0 456.585 4.881 20 0 JJADRO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1)C[NH+]1CCCCC1 ZINC001360599318 1065620701 /nfs/dbraw/zinc/62/07/01/1065620701.db2.gz NOASHEYLWZKKJO-PKTZIBPZSA-N 1 0 488.721 4.895 20 0 JJADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1)C[NH+]1CCCCC1 ZINC001360599476 1065621568 /nfs/dbraw/zinc/62/15/68/1065621568.db2.gz QFQLOCDAOYHJKB-ROUUACIJSA-N 1 0 496.519 4.755 20 0 JJADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1)C[NH+]1CCCCC1 ZINC001360599474 1065621588 /nfs/dbraw/zinc/62/15/88/1065621588.db2.gz QFQLOCDAOYHJKB-MSOLQXFVSA-N 1 0 496.519 4.755 20 0 JJADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(Cl)ccn1)C[NH+]1CCCCC1 ZINC001360599970 1065622467 /nfs/dbraw/zinc/62/24/67/1065622467.db2.gz ZMOHMSQXSSWRJB-GOSISDBHSA-N 1 0 459.063 4.737 20 0 JJADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(Cl)ccn1)C[NH+]1CCCCC1 ZINC001360599971 1065622508 /nfs/dbraw/zinc/62/25/08/1065622508.db2.gz ZMOHMSQXSSWRJB-SFHVURJKSA-N 1 0 459.063 4.737 20 0 JJADRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001437875021 1065623356 /nfs/dbraw/zinc/62/33/56/1065623356.db2.gz RGOSPLPFQIHALZ-HSZRJFAPSA-N 1 0 454.412 4.842 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360601512 1065623926 /nfs/dbraw/zinc/62/39/26/1065623926.db2.gz AQQKQRQIHARJNF-DHIUTWEWSA-N 1 0 483.701 4.892 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360601556 1065624002 /nfs/dbraw/zinc/62/40/02/1065624002.db2.gz BMNOQXUUBHSYLQ-MOPGFXCFSA-N 1 0 483.554 4.897 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360601838 1065624567 /nfs/dbraw/zinc/62/45/67/1065624567.db2.gz HTJKZHUZHNPMJD-PMACEKPBSA-N 1 0 476.065 4.636 20 0 JJADRO C[C@@H](Cn1c(Nc2ccn(C)n2)nnc1[C@H](C)Oc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC001360601910 1065625423 /nfs/dbraw/zinc/62/54/23/1065625423.db2.gz JEHLEBXAHRAGAJ-MSOLQXFVSA-N 1 0 458.010 4.671 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@@H]1C)C[NH+]1CCCCC1 ZINC001360602366 1065626278 /nfs/dbraw/zinc/62/62/78/1065626278.db2.gz OEIOARLSODITPC-VXKWHMMOSA-N 1 0 469.674 4.502 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC001360603788 1065628616 /nfs/dbraw/zinc/62/86/16/1065628616.db2.gz JNMCQWJCEIKBCD-PMACEKPBSA-N 1 0 460.066 4.972 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN(C)c1ccccc1)C[NH+]1CCCCC1 ZINC001360603612 1065628693 /nfs/dbraw/zinc/62/86/93/1065628693.db2.gz VYZGRFYYHVPUNX-LGPLSSKUSA-N 1 0 496.744 4.891 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1cccs1)C[NH+]1CCOCC1 ZINC001360604285 1065629640 /nfs/dbraw/zinc/62/96/40/1065629640.db2.gz OJMVWNPCGPQROH-OAQYLSRUSA-N 1 0 481.710 4.951 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N(Cc1ccco1)Cc1ccccc1)C[NH+]1CCOCC1 ZINC001360606068 1065630546 /nfs/dbraw/zinc/63/05/46/1065630546.db2.gz JPWJGRTZNMTSSU-JOCHJYFZSA-N 1 0 465.642 4.635 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC=C(C(F)(F)F)CC1)C[NH+]1CCOCC1 ZINC001360604889 1065630845 /nfs/dbraw/zinc/63/08/45/1065630845.db2.gz ZYPAVSZLUNVMAX-LJQANCHMSA-N 1 0 491.602 4.910 20 0 JJADRO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001360612670 1065654166 /nfs/dbraw/zinc/65/41/66/1065654166.db2.gz WYSLDUDPUCSVGY-QFIPXVFZSA-N 1 0 498.716 4.740 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)CCc2cncc3ccccc32)C1 ZINC001438033285 1065656892 /nfs/dbraw/zinc/65/68/92/1065656892.db2.gz MWGOGPYSDMUOIL-NRFANRHFSA-N 1 0 452.396 4.840 20 0 JJADRO COCc1c2ccccc2oc1C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438036697 1065657826 /nfs/dbraw/zinc/65/78/26/1065657826.db2.gz WEGJZQIMQCEAGT-KRWDZBQOSA-N 1 0 457.368 4.865 20 0 JJADRO C[C@H](COCc1ccccc1)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360613827 1065658521 /nfs/dbraw/zinc/65/85/21/1065658521.db2.gz IAOZQAQQFORXED-UPVQGACJSA-N 1 0 469.674 4.683 20 0 JJADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CCO1 ZINC001438058511 1065660916 /nfs/dbraw/zinc/66/09/16/1065660916.db2.gz IPVLUIATROLJKD-KNQAVFIVSA-N 1 0 451.394 4.683 20 0 JJADRO CCCCCCn1nc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c2ccccc2c1=O ZINC001360619886 1065666434 /nfs/dbraw/zinc/66/64/34/1065666434.db2.gz FPTKNGDVDYBWOW-UHFFFAOYSA-N 1 0 459.594 4.745 20 0 JJADRO COC[C@@H](C)Oc1ccc(COC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001438081098 1065666563 /nfs/dbraw/zinc/66/65/63/1065666563.db2.gz YKIHHBYTBYJYKH-JPYJTQIMSA-N 1 0 451.485 4.598 20 0 JJADRO Cc1nc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)nn1-c1c(Cl)cccc1Cl ZINC001360620365 1065667618 /nfs/dbraw/zinc/66/76/18/1065667618.db2.gz YOWMZKHJHVFSCP-UHFFFAOYSA-N 1 0 457.365 4.651 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H](C)C(C)(F)F)c1 ZINC001438096996 1065669980 /nfs/dbraw/zinc/66/99/80/1065669980.db2.gz UXRAAJUENOLZOU-TZMCWYRMSA-N 1 0 452.373 4.929 20 0 JJADRO CC(F)(F)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001360629290 1065676544 /nfs/dbraw/zinc/67/65/44/1065676544.db2.gz VDZSKXWRPJJDPR-UHFFFAOYSA-N 1 0 496.046 4.896 20 0 JJADRO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC001360631231 1065680582 /nfs/dbraw/zinc/68/05/82/1065680582.db2.gz LXUDEJRXPOTVSB-LVXARBLLSA-N 1 0 456.590 4.874 20 0 JJADRO C[C@H](N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)CC1)C(F)(F)F ZINC001360634013 1065688333 /nfs/dbraw/zinc/68/83/33/1065688333.db2.gz DKQCLKBIRWKJKA-RBUKOAKNSA-N 1 0 498.663 4.838 20 0 JJADRO C[C@H](N1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1)C(F)(F)F ZINC001360636268 1065692349 /nfs/dbraw/zinc/69/23/49/1065692349.db2.gz CYJYJQDBRSRSGT-GHTZIAJQSA-N 1 0 498.663 4.514 20 0 JJADRO C/C(=C/C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1)c1ccccc1Cl ZINC001438254966 1065703166 /nfs/dbraw/zinc/70/31/66/1065703166.db2.gz CHJUYHMVWUCFQS-ICFOKQHNSA-N 1 0 456.974 4.834 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360638805 1065704535 /nfs/dbraw/zinc/70/45/35/1065704535.db2.gz JDJMKPKUHZBZPE-ACRUOGEOSA-N 1 0 476.710 4.580 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001360638808 1065704765 /nfs/dbraw/zinc/70/47/65/1065704765.db2.gz JDJMKPKUHZBZPE-QHAWAJNXSA-N 1 0 476.710 4.580 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001360639015 1065706450 /nfs/dbraw/zinc/70/64/50/1065706450.db2.gz MOHLEIDQADSILF-LJQANCHMSA-N 1 0 476.710 4.580 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC001438337680 1065711596 /nfs/dbraw/zinc/71/15/96/1065711596.db2.gz OUEDQCTYJXHURT-JSRBVGTNSA-N 1 0 464.993 4.900 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001360641032 1065712163 /nfs/dbraw/zinc/71/21/63/1065712163.db2.gz BUXDXKBUAJPPHK-FQEVSTJZSA-N 1 0 496.700 4.785 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)C(F)(F)c2ccccc2OC)cc1 ZINC001438340454 1065712121 /nfs/dbraw/zinc/71/21/21/1065712121.db2.gz SPBNNVVWQUZSRC-LADGPHEKSA-N 1 0 466.528 4.580 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)C(C)C ZINC001360641187 1065712661 /nfs/dbraw/zinc/71/26/61/1065712661.db2.gz DNQDYKJKUUHSNS-HXUWFJFHSA-N 1 0 476.710 4.794 20 0 JJADRO Cc1c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001438347033 1065714101 /nfs/dbraw/zinc/71/41/01/1065714101.db2.gz VMLVJKMIPVVHPI-PXNSSMCTSA-N 1 0 456.512 4.697 20 0 JJADRO Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001438347029 1065714129 /nfs/dbraw/zinc/71/41/29/1065714129.db2.gz VMLVJKMIPVVHPI-FXAWDEMLSA-N 1 0 456.512 4.697 20 0 JJADRO O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)c1cnc2ncc(Br)cc2c1 ZINC001438361991 1065716504 /nfs/dbraw/zinc/71/65/04/1065716504.db2.gz XWAXTPKEAWKGME-NRFANRHFSA-N 1 0 453.384 4.567 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001360644597 1065719572 /nfs/dbraw/zinc/71/95/72/1065719572.db2.gz BFSVHZKFIDRJBK-FXAWDEMLSA-N 1 0 475.563 4.587 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H]1C)c1ccccc1 ZINC001360645593 1065721146 /nfs/dbraw/zinc/72/11/46/1065721146.db2.gz KIQMNTRTXPNUHO-SLFFLAALSA-N 1 0 480.682 4.634 20 0 JJADRO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001438455992 1065721831 /nfs/dbraw/zinc/72/18/31/1065721831.db2.gz DSIAWUSJDCFRGB-URVUXULASA-N 1 0 452.904 4.741 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(N2CCC(c3ccnn3C)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001360647383 1065723172 /nfs/dbraw/zinc/72/31/72/1065723172.db2.gz XVTUNDMQZIVPAW-HXUWFJFHSA-N 1 0 463.674 4.823 20 0 JJADRO C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)c1ccccc1C(F)(F)F ZINC001360657822 1065726868 /nfs/dbraw/zinc/72/68/68/1065726868.db2.gz CZMNGTRLVKRFTQ-UQCBTIDJSA-N 1 0 459.512 4.914 20 0 JJADRO C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)c1ccccc1C(F)(F)F ZINC001360657823 1065727396 /nfs/dbraw/zinc/72/73/96/1065727396.db2.gz CZMNGTRLVKRFTQ-XBVMLYLOSA-N 1 0 459.512 4.914 20 0 JJADRO Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@H+](C)C4)cc3)cc2)nc1 ZINC001360659390 1065728298 /nfs/dbraw/zinc/72/82/98/1065728298.db2.gz XSQSUPASUDLALF-HSZRJFAPSA-N 1 0 458.562 4.601 20 0 JJADRO C[C@H](CC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC001360677368 1065733404 /nfs/dbraw/zinc/73/34/04/1065733404.db2.gz DKZGAHCMIUZGBA-QGZVFWFLSA-N 1 0 458.528 4.749 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)cc2F)CC1 ZINC001438747357 1065748985 /nfs/dbraw/zinc/74/89/85/1065748985.db2.gz NXVGETYZLUUKLT-QZTJIDSGSA-N 1 0 451.464 4.608 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)CC(C)(C)NC(=O)OCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001360735340 1065763311 /nfs/dbraw/zinc/76/33/11/1065763311.db2.gz PIGHPEOAMLKEOD-ZJSXRUAMSA-N 1 0 451.611 4.593 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2cccs2)n1CC[N@H+]1CC=CCC1 ZINC001360738110 1065767991 /nfs/dbraw/zinc/76/79/91/1065767991.db2.gz KCHYYKYOJSFHNG-LJQANCHMSA-N 1 0 455.603 4.560 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360738555 1065768988 /nfs/dbraw/zinc/76/89/88/1065768988.db2.gz NQCGLZPRDKLMPP-SJORKVTESA-N 1 0 451.537 4.523 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@H+]1CC=CCC1 ZINC001360738673 1065769276 /nfs/dbraw/zinc/76/92/76/1065769276.db2.gz RLUAGBVBJGOTFI-SFHVURJKSA-N 1 0 470.980 4.504 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360739731 1065771341 /nfs/dbraw/zinc/77/13/41/1065771341.db2.gz VWVAGBQMOXVETE-DYESRHJHSA-N 1 0 472.634 4.771 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001360743454 1065779325 /nfs/dbraw/zinc/77/93/25/1065779325.db2.gz FJHXEKDQSVXZAP-PMACEKPBSA-N 1 0 455.578 4.874 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC=C(Br)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001360745576 1065784887 /nfs/dbraw/zinc/78/48/87/1065784887.db2.gz MVXYYGCXLJSGEY-JKSUJKDBSA-N 1 0 478.410 4.529 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)[C@H]1c1cccs1 ZINC001360746960 1065789109 /nfs/dbraw/zinc/78/91/09/1065789109.db2.gz INBUSPGQZNHFSH-XZNRUFCYSA-N 1 0 461.672 4.817 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747624 1065789825 /nfs/dbraw/zinc/78/98/25/1065789825.db2.gz LINCCAFYGICNQI-GGAORHGYSA-N 1 0 455.643 4.537 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)COc1ccc(Br)cc1Cl ZINC001360748364 1065789921 /nfs/dbraw/zinc/78/99/21/1065789921.db2.gz WVAZEVTYMYNRCQ-MRXNPFEDSA-N 1 0 451.792 4.604 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001360750852 1065796102 /nfs/dbraw/zinc/79/61/02/1065796102.db2.gz QUOVUYSRLLNEKZ-QYZOEREBSA-N 1 0 461.651 4.762 20 0 JJADRO C[NH+](C)CCOc1ccc(CCC(=O)NCc2cc(Br)c3ccccc3c2)cc1 ZINC001439193781 1065796406 /nfs/dbraw/zinc/79/64/06/1065796406.db2.gz LBXZGHLFFAYMDR-UHFFFAOYSA-N 1 0 455.396 4.792 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360751173 1065797325 /nfs/dbraw/zinc/79/73/25/1065797325.db2.gz VXTJWKZHPOJXGM-PNQHUFSXSA-N 1 0 461.601 4.862 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001439215515 1065799422 /nfs/dbraw/zinc/79/94/22/1065799422.db2.gz ANRUVXJPANYAME-ATPOPXNDSA-N 1 0 483.697 4.934 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360753668 1065800685 /nfs/dbraw/zinc/80/06/85/1065800685.db2.gz GUDBYHBLWTWZRK-WOJBJXKFSA-N 1 0 476.065 4.666 20 0 JJADRO CC(C)n1nc(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)c2ccccc2c1=O ZINC001439224102 1065801655 /nfs/dbraw/zinc/80/16/55/1065801655.db2.gz KLYDYIFXKJJAMQ-UHFFFAOYSA-N 1 0 458.484 4.844 20 0 JJADRO C[C@@H](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC001360754507 1065805841 /nfs/dbraw/zinc/80/58/41/1065805841.db2.gz VYCMWEVYDFCHGI-ACRUOGEOSA-N 1 0 476.065 4.809 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCCO2)n1CC1([NH+](C)C)CCCC1 ZINC001360755153 1065807373 /nfs/dbraw/zinc/80/73/73/1065807373.db2.gz AAURUCFCNOKALB-GHTZIAJQSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360757642 1065819912 /nfs/dbraw/zinc/81/99/12/1065819912.db2.gz FLGZRBRISQYNBR-GOHWNWGWSA-N 1 0 490.092 4.933 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001360757640 1065820232 /nfs/dbraw/zinc/82/02/32/1065820232.db2.gz FLGZRBRISQYNBR-CUVVAGTFSA-N 1 0 490.092 4.933 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCCO)CC2)n1CC[NH+]1CCCCCC1 ZINC001360758091 1065822900 /nfs/dbraw/zinc/82/29/00/1065822900.db2.gz MNXLBNBUOWKRED-NRFANRHFSA-N 1 0 490.092 4.936 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ncccc1N(C)C ZINC001360759994 1065830782 /nfs/dbraw/zinc/83/07/82/1065830782.db2.gz FPOMCLJDDXIFTO-IBGZPJMESA-N 1 0 498.075 4.501 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(Nc2ccn(C)n2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360762199 1065838242 /nfs/dbraw/zinc/83/82/42/1065838242.db2.gz BPFGUWNNUHPMSZ-YJBOKZPZSA-N 1 0 472.018 4.913 20 0 JJADRO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)c1ccc(Br)cc1 ZINC001439543514 1065839735 /nfs/dbraw/zinc/83/97/35/1065839735.db2.gz HXWRRNMQRRODFP-WOJBJXKFSA-N 1 0 456.409 4.784 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(Nc2ccn(C)n2)n1CC[N@H+](C)C1CCCCC1 ZINC001360763184 1065842757 /nfs/dbraw/zinc/84/27/57/1065842757.db2.gz RPOUIEHDHDFTDW-KRWDZBQOSA-N 1 0 458.010 4.813 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 ZINC001360764595 1065845328 /nfs/dbraw/zinc/84/53/28/1065845328.db2.gz CKUYXVBCEJMFHA-MRXNPFEDSA-N 1 0 494.409 4.889 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360764798 1065846413 /nfs/dbraw/zinc/84/64/13/1065846413.db2.gz FMNZOZWZHTVPID-ZJOUEHCJSA-N 1 0 487.645 4.784 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccco2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360765417 1065849985 /nfs/dbraw/zinc/84/99/85/1065849985.db2.gz QOOGKPVNFYRCNR-LJQANCHMSA-N 1 0 455.578 4.909 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)F)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001360767590 1065856666 /nfs/dbraw/zinc/85/66/66/1065856666.db2.gz RGXLYKZZEZNJGZ-GOSISDBHSA-N 1 0 488.558 4.960 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H]1CCC[C@H]1CC ZINC001545924176 1065857943 /nfs/dbraw/zinc/85/79/43/1065857943.db2.gz RWRZGUMZIARUGS-DNQXCXABSA-N 1 0 480.701 4.653 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001360769008 1065859247 /nfs/dbraw/zinc/85/92/47/1065859247.db2.gz BYNWGXSBGFLQAB-AZUAARDMSA-N 1 0 495.590 4.538 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCCCCC2)CC1 ZINC001360773187 1065871089 /nfs/dbraw/zinc/87/10/89/1065871089.db2.gz HHKHPIWMCKDGTP-OAQYLSRUSA-N 1 0 473.637 4.563 20 0 JJADRO C[C@H]1[C@H](C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001439758849 1065871628 /nfs/dbraw/zinc/87/16/28/1065871628.db2.gz VRVXSBSPHOPYTP-CVRJGYJLSA-N 1 0 477.649 4.806 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360774479 1065873264 /nfs/dbraw/zinc/87/32/64/1065873264.db2.gz NJXGVQUMAKFLSE-OKZBNKHCSA-N 1 0 469.527 4.820 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001360775547 1065877967 /nfs/dbraw/zinc/87/79/67/1065877967.db2.gz WAQBVLGVNYTIJM-ZYLNGJIFSA-N 1 0 475.678 4.867 20 0 JJADRO COc1cc(Br)cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001439817749 1065881453 /nfs/dbraw/zinc/88/14/53/1065881453.db2.gz GHWHFHWIQXPYES-BJKOFHAPSA-N 1 0 465.391 4.856 20 0 JJADRO Cc1ccc(C(=O)N[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C(C)C)cc1 ZINC001439818892 1065881508 /nfs/dbraw/zinc/88/15/08/1065881508.db2.gz LFKLNNCZSTUZST-IARZGTGTSA-N 1 0 469.629 4.534 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001360777707 1065881955 /nfs/dbraw/zinc/88/19/55/1065881955.db2.gz DKFQRBAJNFIDJV-UFYCRDLUSA-N 1 0 461.651 4.763 20 0 JJADRO O=C(COc1ccccc1C(F)(F)F)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439820099 1065882115 /nfs/dbraw/zinc/88/21/15/1065882115.db2.gz SJFKRQVUUFCXCY-JTHBVZDNSA-N 1 0 454.492 4.869 20 0 JJADRO COc1cc(Br)ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439822020 1065882217 /nfs/dbraw/zinc/88/22/17/1065882217.db2.gz WCWSRJPRGAWDCA-XZOQPEGZSA-N 1 0 465.391 4.856 20 0 JJADRO CC(C)(C)OC(=O)N(CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC1 ZINC001439824431 1065882833 /nfs/dbraw/zinc/88/28/33/1065882833.db2.gz WZZYVSSMILGGFW-LOSJGSFVSA-N 1 0 463.622 4.560 20 0 JJADRO CC[C@H](C)c1nc(C)c(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(C)n1 ZINC001439824523 1065882858 /nfs/dbraw/zinc/88/28/58/1065882858.db2.gz YOYGUDDKXRNWHA-SQMFLSJESA-N 1 0 456.634 4.934 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCCCC[NH+]1CCCC1 ZINC001360778812 1065885707 /nfs/dbraw/zinc/88/57/07/1065885707.db2.gz RRGVWRGFRCRGKQ-SFTDATJTSA-N 1 0 473.637 4.827 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCSC(C)(C)C2)n1CCC[NH+]1CCCCC1 ZINC001360779262 1065886441 /nfs/dbraw/zinc/88/64/41/1065886441.db2.gz VWYZFRGALFDZPD-LJQANCHMSA-N 1 0 461.651 4.765 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)c1cc(I)ccc1F)c1ccccc1 ZINC001440142538 1065915919 /nfs/dbraw/zinc/91/59/19/1065915919.db2.gz PGDAWSWZIDRDJF-LJQANCHMSA-N 1 0 454.327 4.633 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)c1cccc(I)c1C)c1ccccc1 ZINC001440146423 1065917052 /nfs/dbraw/zinc/91/70/52/1065917052.db2.gz ZJESCBPCSLAQET-FQEVSTJZSA-N 1 0 450.364 4.803 20 0 JJADRO CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808492 1065921490 /nfs/dbraw/zinc/92/14/90/1065921490.db2.gz NHYGYVZETZGVGO-NRFANRHFSA-N 1 0 460.066 4.972 20 0 JJADRO COc1cc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC001440186664 1065922526 /nfs/dbraw/zinc/92/25/26/1065922526.db2.gz SVYYOMHMRCTIBZ-RRPNLBNLSA-N 1 0 479.020 4.932 20 0 JJADRO CC1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001360812929 1065925696 /nfs/dbraw/zinc/92/56/96/1065925696.db2.gz ZHHXTKVMIXMLFG-FQEVSTJZSA-N 1 0 478.106 4.840 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001360818993 1065932099 /nfs/dbraw/zinc/93/20/99/1065932099.db2.gz MUGHLTWKDBDYDL-FQEVSTJZSA-N 1 0 478.106 4.959 20 0 JJADRO C[NH+](C)C1(CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CCCCC1 ZINC001440373184 1065933706 /nfs/dbraw/zinc/93/37/06/1065933706.db2.gz ROXXRPSIGRDSCO-UHFFFAOYSA-N 1 0 455.002 4.649 20 0 JJADRO CC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CCC[NH+]2CCCC2)CCS1 ZINC001360821183 1065934991 /nfs/dbraw/zinc/93/49/91/1065934991.db2.gz TZGAISZXODYOGV-UHFFFAOYSA-N 1 0 464.477 4.525 20 0 JJADRO CC1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001360829509 1065941440 /nfs/dbraw/zinc/94/14/40/1065941440.db2.gz DTMQLRIWYUVBIV-UHFFFAOYSA-N 1 0 476.065 4.782 20 0 JJADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001360832725 1065944332 /nfs/dbraw/zinc/94/43/32/1065944332.db2.gz OJOQXEUDWHMZGB-GOSISDBHSA-N 1 0 463.095 4.836 20 0 JJADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C)CCOCC2)CC1 ZINC001360835228 1065946817 /nfs/dbraw/zinc/94/68/17/1065946817.db2.gz OXIQWLPNGYFKND-UHFFFAOYSA-N 1 0 477.600 4.674 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)Cc1ccccc1 ZINC001440665734 1065960926 /nfs/dbraw/zinc/96/09/26/1065960926.db2.gz JSDDMFLOYQZRGY-LJQANCHMSA-N 1 0 454.368 4.539 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)c1cccc(F)c1 ZINC001440673722 1065961580 /nfs/dbraw/zinc/96/15/80/1065961580.db2.gz IFSABSYQOUMWEO-FDDCHVKYSA-N 1 0 455.574 4.864 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)[C@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001440672359 1065962033 /nfs/dbraw/zinc/96/20/33/1065962033.db2.gz NATONCOOLZACCM-DNQXCXABSA-N 1 0 451.611 4.643 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)c1cccc(F)c1 ZINC001440674915 1065962597 /nfs/dbraw/zinc/96/25/97/1065962597.db2.gz LOMUKORJMNWZNK-IBGZPJMESA-N 1 0 451.489 4.925 20 0 JJADRO O=C(COc1ccc2ccccc2c1Br)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001440676521 1065963142 /nfs/dbraw/zinc/96/31/42/1065963142.db2.gz YOCNDQBADRIHFV-NRFANRHFSA-N 1 0 453.380 4.934 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678247 1065963644 /nfs/dbraw/zinc/96/36/44/1065963644.db2.gz VSSRJMDYKILKAL-FCHUYYIVSA-N 1 0 451.394 4.587 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678254 1065963774 /nfs/dbraw/zinc/96/37/74/1065963774.db2.gz VSSRJMDYKILKAL-VXKWHMMOSA-N 1 0 451.394 4.587 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001360851262 1065963718 /nfs/dbraw/zinc/96/37/18/1065963718.db2.gz FVJAWQJESIYYNL-OAHLLOKOSA-N 1 0 464.839 4.960 20 0 JJADRO Cn1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1-c1ccc(Br)cc1 ZINC001440679007 1065964332 /nfs/dbraw/zinc/96/43/32/1065964332.db2.gz GMWFFXFALSZAOM-UHFFFAOYSA-N 1 0 452.396 4.980 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360851575 1065965199 /nfs/dbraw/zinc/96/51/99/1065965199.db2.gz MUPVAAUPPZPKQJ-UHFFFAOYSA-N 1 0 483.458 4.960 20 0 JJADRO CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001440683213 1065966069 /nfs/dbraw/zinc/96/60/69/1065966069.db2.gz XXICMAGDKLCJEA-LAUBAEHRSA-N 1 0 452.039 4.750 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360852000 1065966589 /nfs/dbraw/zinc/96/65/89/1065966589.db2.gz VAHAGXVQTPQUDQ-KDURUIRLSA-N 1 0 487.490 4.977 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)C(C)C)CC1 ZINC001360852025 1065966817 /nfs/dbraw/zinc/96/68/17/1065966817.db2.gz VPUGLQMSHQQWFP-UHFFFAOYSA-N 1 0 470.818 4.957 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CCCCC[NH+]2CCCC2)o1 ZINC001360852024 1065966926 /nfs/dbraw/zinc/96/69/26/1065966926.db2.gz VKOWKQVWSWBCCU-UHFFFAOYSA-N 1 0 462.436 4.992 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001360852120 1065967461 /nfs/dbraw/zinc/96/74/61/1065967461.db2.gz YKMUGUQYEHHPDS-KRWDZBQOSA-N 1 0 493.881 4.993 20 0 JJADRO Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001440709490 1065969082 /nfs/dbraw/zinc/96/90/82/1065969082.db2.gz XCBGDVUYFLJYCJ-LJQANCHMSA-N 1 0 455.484 4.552 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001360853632 1065970226 /nfs/dbraw/zinc/97/02/26/1065970226.db2.gz IOPLNBPMNVATDA-UHFFFAOYSA-N 1 0 487.490 4.799 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001360854168 1065972717 /nfs/dbraw/zinc/97/27/17/1065972717.db2.gz RNOAYCPMWZMBKE-JOCHJYFZSA-N 1 0 499.432 4.585 20 0 JJADRO Cc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360854475 1065973831 /nfs/dbraw/zinc/97/38/31/1065973831.db2.gz WUNVMICMCNTHHL-IBGZPJMESA-N 1 0 458.448 4.541 20 0 JJADRO Cc1cccc(C2(C(=O)NCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)CCC2)c1 ZINC001440745150 1065974866 /nfs/dbraw/zinc/97/48/66/1065974866.db2.gz GCGFDLJOIHUZIF-UHFFFAOYSA-N 1 0 459.556 4.764 20 0 JJADRO O=C(CCc1ccc(Cl)cc1)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440744054 1065974983 /nfs/dbraw/zinc/97/49/83/1065974983.db2.gz CPTWVPSRTFGPLB-UHFFFAOYSA-N 1 0 453.936 4.620 20 0 JJADRO CC1=C(Br)CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001360857549 1065975294 /nfs/dbraw/zinc/97/52/94/1065975294.db2.gz DDDIZXFNILCOOG-UHFFFAOYSA-N 1 0 492.849 4.651 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1C ZINC001360864652 1065982729 /nfs/dbraw/zinc/98/27/29/1065982729.db2.gz DZXNFAFFLAITQH-JOCHJYFZSA-N 1 0 468.690 4.679 20 0 JJADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(NC(=O)NC(C)(C)C)ccc3Cl)CC2)cc1 ZINC001440862854 1065984175 /nfs/dbraw/zinc/98/41/75/1065984175.db2.gz GAHMYQHWFCHQLQ-UHFFFAOYSA-N 1 0 457.018 4.917 20 0 JJADRO COc1cc(/C=C(\C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c2ccccc2)ccc1O ZINC001440863820 1065984905 /nfs/dbraw/zinc/98/49/05/1065984905.db2.gz FCFXKSRJUBWKKW-MOHJPFBDSA-N 1 0 457.574 4.640 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C1CC1)[NH+](C)C ZINC001360865798 1065985871 /nfs/dbraw/zinc/98/58/71/1065985871.db2.gz ITIOSIMTUJAHLE-NFBKMPQASA-N 1 0 451.615 4.913 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360865801 1065985889 /nfs/dbraw/zinc/98/58/89/1065985889.db2.gz ITIOSIMTUJAHLE-REWPJTCUSA-N 1 0 451.615 4.913 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1)c1ccccc1Cl ZINC001440875993 1065987768 /nfs/dbraw/zinc/98/77/68/1065987768.db2.gz JHNHWDZNOPOYRM-IBGZPJMESA-N 1 0 450.345 4.526 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccoc3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001360868329 1065991551 /nfs/dbraw/zinc/99/15/51/1065991551.db2.gz BFWQRGVXFFYIPN-KNQAVFIVSA-N 1 0 451.615 4.996 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC001360868366 1065991582 /nfs/dbraw/zinc/99/15/82/1065991582.db2.gz CJOBCKPUCIRJEL-BJKOFHAPSA-N 1 0 493.700 4.773 20 0 JJADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)cn2)CC1 ZINC001440898316 1065992041 /nfs/dbraw/zinc/99/20/41/1065992041.db2.gz FADFVBCAYVYLRG-GCBXDVEESA-N 1 0 473.448 4.655 20 0 JJADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)cn2)CC1 ZINC001440898306 1065992080 /nfs/dbraw/zinc/99/20/80/1065992080.db2.gz FADFVBCAYVYLRG-CRJZHZJASA-N 1 0 473.448 4.655 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001360869269 1065997144 /nfs/dbraw/zinc/99/71/44/1065997144.db2.gz NMLKJZVSJDXSHQ-VXKWHMMOSA-N 1 0 466.630 4.780 20 0 JJADRO Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@H](c3ccsc3)[NH+](C)C)[C@H]2c2cccs2)cc1 ZINC001441003448 1065999189 /nfs/dbraw/zinc/99/91/89/1065999189.db2.gz FZOHVTLACKMYAY-MZKRTTBSSA-N 1 0 453.633 4.631 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1C ZINC001360869908 1066000219 /nfs/dbraw/zinc/00/02/19/1066000219.db2.gz RZFIZEQVYIRRCL-DHLKQENFSA-N 1 0 491.684 4.972 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001360869891 1066000418 /nfs/dbraw/zinc/00/04/18/1066000418.db2.gz RQGPWQPQPULWLN-UNMCSNQZSA-N 1 0 466.630 4.924 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)c1ccsc1 ZINC001441009988 1066000555 /nfs/dbraw/zinc/00/05/55/1066000555.db2.gz WBIISEKZJMARKR-SIKLNZKXSA-N 1 0 457.640 4.725 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCC[NH+]2CCC(O)CC2)c1C ZINC001360870390 1066001983 /nfs/dbraw/zinc/00/19/83/1066001983.db2.gz OUEPTSNFQOLUIT-PKTZIBPZSA-N 1 0 483.701 4.754 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360870287 1066002137 /nfs/dbraw/zinc/00/21/37/1066002137.db2.gz ODDBRMWNXJKUNQ-RBBKRZOGSA-N 1 0 469.674 4.913 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360870565 1066002828 /nfs/dbraw/zinc/00/28/28/1066002828.db2.gz YFEASOLOVHTYQK-UPVQGACJSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360870563 1066002911 /nfs/dbraw/zinc/00/29/11/1066002911.db2.gz YFEASOLOVHTYQK-ISKFKSNPSA-N 1 0 469.674 4.915 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC001441071995 1066005623 /nfs/dbraw/zinc/00/56/23/1066005623.db2.gz YNMXITOKDGTZEI-DEOSSOPVSA-N 1 0 451.611 4.801 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCOc2ncccc2F)c1C ZINC001360872794 1066006719 /nfs/dbraw/zinc/00/67/19/1066006719.db2.gz APOIPHJUJGEVFP-NRFANRHFSA-N 1 0 496.631 4.615 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1C ZINC001360872874 1066007181 /nfs/dbraw/zinc/00/71/81/1066007181.db2.gz AMNKUGAUTHIRDU-DQEYMECFSA-N 1 0 496.744 4.933 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CC(F)(F)F)c1C ZINC001360873475 1066009249 /nfs/dbraw/zinc/00/92/49/1066009249.db2.gz HRXSWPWXRITAHG-WOJBJXKFSA-N 1 0 465.564 4.909 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1C ZINC001360873633 1066010249 /nfs/dbraw/zinc/01/02/49/1066010249.db2.gz HFPSBEFZABQQGS-NNWRFLSQSA-N 1 0 467.614 4.546 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(CCCO)CC3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360873748 1066010332 /nfs/dbraw/zinc/01/03/32/1066010332.db2.gz KKEVLCDAHJYRAB-FYYLOGMGSA-N 1 0 469.674 4.508 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC001360874418 1066013485 /nfs/dbraw/zinc/01/34/85/1066013485.db2.gz MSCFSPQVMUCJFW-XUZZJYLKSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CC[NH+]2CCSCC2)c1C ZINC001360874720 1066015100 /nfs/dbraw/zinc/01/51/00/1066015100.db2.gz OBNLLNVUHVMRBN-DENIHFKCSA-N 1 0 457.688 4.710 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC(F)(F)F)c1C ZINC001360875417 1066017825 /nfs/dbraw/zinc/01/78/25/1066017825.db2.gz ZNORTDXSZNBJLP-OALUTQOASA-N 1 0 451.537 4.662 20 0 JJADRO CC[C@@H](CNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C)[N@@H+]1CCc2ccccc2C1 ZINC001441238018 1066018153 /nfs/dbraw/zinc/01/81/53/1066018153.db2.gz JGGIFQGQRKLSBU-DEOSSOPVSA-N 1 0 451.014 4.768 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001360875784 1066019565 /nfs/dbraw/zinc/01/95/65/1066019565.db2.gz YWOGDSNSHGGAHB-RPWUZVMVSA-N 1 0 469.674 4.772 20 0 JJADRO CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[C@@H]2CCCC[C@@H]21 ZINC001441245076 1066019705 /nfs/dbraw/zinc/01/97/05/1066019705.db2.gz VFFOTGIDCPVJBT-HJOGWXRNSA-N 1 0 455.643 4.857 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2nccs2)c1C ZINC001360877088 1066022018 /nfs/dbraw/zinc/02/20/18/1066022018.db2.gz HRINLNKXFJXVCJ-HXUWFJFHSA-N 1 0 468.671 4.655 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCSC(C)C)c1C ZINC001360877344 1066022464 /nfs/dbraw/zinc/02/24/64/1066022464.db2.gz KIOVOGOFUCWZAZ-OAQYLSRUSA-N 1 0 457.688 4.709 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(Cl)nc2)c1C ZINC001360877185 1066022569 /nfs/dbraw/zinc/02/25/69/1066022569.db2.gz JNWCHDGQWPFBOO-FQEVSTJZSA-N 1 0 469.033 4.662 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360877606 1066023624 /nfs/dbraw/zinc/02/36/24/1066023624.db2.gz MMJGXYUUPIEIFL-QFIPXVFZSA-N 1 0 455.647 4.526 20 0 JJADRO O=C(CCc1nc2cc(Br)ccc2s1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC001441300138 1066023806 /nfs/dbraw/zinc/02/38/06/1066023806.db2.gz RSLLHDLZIVLGEC-UHFFFAOYSA-N 1 0 458.425 4.556 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccsc1 ZINC001441306560 1066024363 /nfs/dbraw/zinc/02/43/63/1066024363.db2.gz FTANPDZLKMZTPO-YADHBBJMSA-N 1 0 457.640 4.609 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(Cl)cc(F)c3Br)cc2)CC1 ZINC001441311520 1066025053 /nfs/dbraw/zinc/02/50/53/1066025053.db2.gz MQGPKUYRZJCQBT-UHFFFAOYSA-N 1 0 454.771 4.631 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCOCCC(C)C)c1C ZINC001360878673 1066026445 /nfs/dbraw/zinc/02/64/45/1066026445.db2.gz YDOYJTLMOGGMSU-BJKOFHAPSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCOCCC(C)C)c1C ZINC001360878674 1066026986 /nfs/dbraw/zinc/02/69/86/1066026986.db2.gz YDOYJTLMOGGMSU-DNQXCXABSA-N 1 0 469.674 4.772 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C)c1ccsc1 ZINC001441322970 1066027770 /nfs/dbraw/zinc/02/77/70/1066027770.db2.gz YKTCRXXDPIHETD-QFIPXVFZSA-N 1 0 459.656 4.970 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@H]3C)n2C[C@@H](c2ccsc2)[NH+](C)C)c1C ZINC001360879072 1066028432 /nfs/dbraw/zinc/02/84/32/1066028432.db2.gz FRMFEBAVKZAQGW-UZKOGDIHSA-N 1 0 469.655 4.624 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOCC4(CC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1C ZINC001360879111 1066028960 /nfs/dbraw/zinc/02/89/60/1066028960.db2.gz GAZVIEWSADCLME-DHIUTWEWSA-N 1 0 469.674 4.628 20 0 JJADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(Nc4nccs4)cc3F)cc2)C[C@H](C)O1 ZINC001441329569 1066029313 /nfs/dbraw/zinc/02/93/13/1066029313.db2.gz YBRAGITUAXBXRO-IRXDYDNUSA-N 1 0 454.571 4.565 20 0 JJADRO Cc1ccc(N2C[C@H](C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CCC2=O)cc1C ZINC001441340934 1066030358 /nfs/dbraw/zinc/03/03/58/1066030358.db2.gz IYVDWFJARSZPBZ-ZJSXRUAMSA-N 1 0 454.014 4.653 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C)C3)n2CC[C@H](C)[NH+]2CCCCC2)c1C ZINC001360879491 1066030868 /nfs/dbraw/zinc/03/08/68/1066030868.db2.gz LRVVJGRHKAPVDZ-QNWVGRARSA-N 1 0 455.647 4.525 20 0 JJADRO C[C@@H](CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001441351819 1066031945 /nfs/dbraw/zinc/03/19/45/1066031945.db2.gz PLXWVCXXAAGPQL-GOTSBHOMSA-N 1 0 450.623 4.550 20 0 JJADRO C[C@@H](CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001441351825 1066032148 /nfs/dbraw/zinc/03/21/48/1066032148.db2.gz PLXWVCXXAAGPQL-PKTZIBPZSA-N 1 0 450.623 4.550 20 0 JJADRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)O2 ZINC001441358292 1066033500 /nfs/dbraw/zinc/03/35/00/1066033500.db2.gz SQSODEUGEDRLRU-XDBZFTIUSA-N 1 0 450.623 4.949 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cnc(-c4cccc(Cl)c4)s3)cc2)CC1 ZINC001441362645 1066034699 /nfs/dbraw/zinc/03/46/99/1066034699.db2.gz BWBIGSVSZCOVRG-UHFFFAOYSA-N 1 0 455.027 4.531 20 0 JJADRO CC1=C(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001360883265 1066037041 /nfs/dbraw/zinc/03/70/41/1066037041.db2.gz NJAVVGWDFJPHEE-NDEPHWFRSA-N 1 0 481.685 4.754 20 0 JJADRO CC(C)NC(=O)Nc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001441406130 1066038399 /nfs/dbraw/zinc/03/83/99/1066038399.db2.gz KVQNDEAAKMJVCZ-IZZNHLLZSA-N 1 0 462.638 4.771 20 0 JJADRO CC1=C(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001360888508 1066041506 /nfs/dbraw/zinc/04/15/06/1066041506.db2.gz YIQWIDXILPRUEN-FGZHOGPDSA-N 1 0 498.672 4.835 20 0 JJADRO CC1=C(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001360888096 1066041637 /nfs/dbraw/zinc/04/16/37/1066041637.db2.gz OVDSWNQLTQIWQY-JOCHJYFZSA-N 1 0 486.705 4.814 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc(Cl)ncc2Br)C1 ZINC001441460833 1066042544 /nfs/dbraw/zinc/04/25/44/1066042544.db2.gz HGOZAANYZHEICI-GJZGRUSLSA-N 1 0 450.808 4.905 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)C1 ZINC001441467943 1066043916 /nfs/dbraw/zinc/04/39/16/1066043916.db2.gz UCNVYOWWCGVTRB-ZRCGQRJVSA-N 1 0 457.659 4.816 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC001441472530 1066044549 /nfs/dbraw/zinc/04/45/49/1066044549.db2.gz YJLJETOBTQZVII-BGYRXZFFSA-N 1 0 456.030 4.644 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)C1 ZINC001441476015 1066045196 /nfs/dbraw/zinc/04/51/96/1066045196.db2.gz BUKHDNDJEQVLND-MYSJAJEPSA-N 1 0 457.659 4.864 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1 ZINC001441561632 1066051227 /nfs/dbraw/zinc/05/12/27/1066051227.db2.gz OJFUUUMZAAENAZ-AFDYPQSWSA-N 1 0 454.574 4.866 20 0 JJADRO CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001441560709 1066051313 /nfs/dbraw/zinc/05/13/13/1066051313.db2.gz NLIFYHWDMKEDBH-DVECYGJZSA-N 1 0 454.590 4.663 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001545942940 1066052470 /nfs/dbraw/zinc/05/24/70/1066052470.db2.gz MROBPVSQWAQKLO-NQHRYMMQSA-N 1 0 498.691 4.506 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001545942939 1066052575 /nfs/dbraw/zinc/05/25/75/1066052575.db2.gz MROBPVSQWAQKLO-FTBPSBKWSA-N 1 0 498.691 4.506 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)C(C)(C)n3cc(NC(=O)OC(C)(C)C)cn3)cc2)CC1 ZINC001441610056 1066053391 /nfs/dbraw/zinc/05/33/91/1066053391.db2.gz HDGBZMLHWKADGY-UHFFFAOYSA-N 1 0 455.603 4.836 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2[C@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)c1 ZINC001441624991 1066055906 /nfs/dbraw/zinc/05/59/06/1066055906.db2.gz SGSSUDLFNYOQMW-HJOGWXRNSA-N 1 0 457.659 4.960 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1 ZINC001545943567 1066057562 /nfs/dbraw/zinc/05/75/62/1066057562.db2.gz HYBJEYBOUMONKT-GUDVDZBRSA-N 1 0 459.612 4.572 20 0 JJADRO Cc1c(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)ccc2c[nH+]cn21 ZINC001441702574 1066062869 /nfs/dbraw/zinc/06/28/69/1066062869.db2.gz NHISFBSOOQTOEJ-UHFFFAOYSA-N 1 0 450.901 4.716 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H]2CCOC2)n1CC[NH+](C(C)C)C(C)C ZINC001360908122 1066063116 /nfs/dbraw/zinc/06/31/16/1066063116.db2.gz CICURLHMNPXGLY-OAQYLSRUSA-N 1 0 482.698 4.969 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 ZINC001441812106 1066071568 /nfs/dbraw/zinc/07/15/68/1066071568.db2.gz IAZQHXFJCQVIFS-QFIPXVFZSA-N 1 0 452.917 4.958 20 0 JJADRO Cc1ccsc1CCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360926503 1066083001 /nfs/dbraw/zinc/08/30/01/1066083001.db2.gz QZPPMXAEUFWSJV-UHFFFAOYSA-N 1 0 457.619 4.529 20 0 JJADRO Cc1ccsc1CCn1c(N2CCC(CCC[NH+]3CCOCC3)CC2)nnc1C(C)(C)C ZINC001360926706 1066083398 /nfs/dbraw/zinc/08/33/98/1066083398.db2.gz YABKYCIZEPQCPN-UHFFFAOYSA-N 1 0 459.704 4.517 20 0 JJADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC001360928364 1066084406 /nfs/dbraw/zinc/08/44/06/1066084406.db2.gz FVVLDABCZFHACB-KAYWLYCHSA-N 1 0 455.602 4.843 20 0 JJADRO Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)cnn1C ZINC001360930690 1066087331 /nfs/dbraw/zinc/08/73/31/1066087331.db2.gz WGHANDNFWNKJOE-HXUWFJFHSA-N 1 0 483.636 4.500 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)c2ccccc2)CC1 ZINC001442064018 1066088545 /nfs/dbraw/zinc/08/85/45/1066088545.db2.gz SCCNBBPOBFISIF-WIOPSUGQSA-N 1 0 457.977 4.952 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c2ccccc2)CC1 ZINC001442068142 1066089308 /nfs/dbraw/zinc/08/93/08/1066089308.db2.gz DRVFZCVDRGCUJU-IBGZPJMESA-N 1 0 453.480 4.564 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+]1CC=CCC1 ZINC001360932138 1066089282 /nfs/dbraw/zinc/08/92/82/1066089282.db2.gz GZJZSWZJCLQCLC-UHFFFAOYSA-N 1 0 491.434 4.510 20 0 JJADRO Cc1c(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cnn1C ZINC001360945238 1066100164 /nfs/dbraw/zinc/10/01/64/1066100164.db2.gz ZKCPDJAGMQWOGE-BCHFMIIMSA-N 1 0 484.092 4.711 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(CCc2ccccc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360947430 1066102330 /nfs/dbraw/zinc/10/23/30/1066102330.db2.gz LRKCEDVAAONFSS-HXUWFJFHSA-N 1 0 466.680 4.829 20 0 JJADRO Cc1c(CN(C)c2nnc(CCCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cnn1C ZINC001360947776 1066103088 /nfs/dbraw/zinc/10/30/88/1066103088.db2.gz YTLNTRCRMHNNBV-DHIUTWEWSA-N 1 0 491.728 4.888 20 0 JJADRO Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360949503 1066104828 /nfs/dbraw/zinc/10/48/28/1066104828.db2.gz IZGAYGOZYYMGIT-SYYKKAFVSA-N 1 0 474.719 4.720 20 0 JJADRO Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360949502 1066104840 /nfs/dbraw/zinc/10/48/40/1066104840.db2.gz IZGAYGOZYYMGIT-CZTZKLFOSA-N 1 0 474.719 4.720 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)[NH+](C)C ZINC001360949465 1066104874 /nfs/dbraw/zinc/10/48/74/1066104874.db2.gz HQQPPWFHTPLMIG-KRWDZBQOSA-N 1 0 456.660 4.506 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)n(C4CCOCC4)c3C)cc2Cl)CC1 ZINC001442246378 1066107839 /nfs/dbraw/zinc/10/78/39/1066107839.db2.gz OFJKKKDGSXOPMU-UHFFFAOYSA-N 1 0 459.034 4.894 20 0 JJADRO O=C(CSCc1ccc(F)cc1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951766 1066108475 /nfs/dbraw/zinc/10/84/75/1066108475.db2.gz IVUPNIVWWHDPMO-HXUWFJFHSA-N 1 0 454.533 4.972 20 0 JJADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001442264357 1066110040 /nfs/dbraw/zinc/11/00/40/1066110040.db2.gz MOPHDNDEEOBCCE-HBUYNFGHSA-N 1 0 451.611 4.840 20 0 JJADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001442264367 1066110162 /nfs/dbraw/zinc/11/01/62/1066110162.db2.gz MOPHDNDEEOBCCE-TYJFDUFHSA-N 1 0 451.611 4.840 20 0 JJADRO Cc1c2ccccc2oc1Cn1c(C(C)C)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001360954026 1066111047 /nfs/dbraw/zinc/11/10/47/1066111047.db2.gz YNWQLXKMYCWYRB-UHFFFAOYSA-N 1 0 479.547 4.595 20 0 JJADRO Cc1ccsc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360958229 1066115151 /nfs/dbraw/zinc/11/51/51/1066115151.db2.gz HVNQTTJXOOKIKR-UHFFFAOYSA-N 1 0 461.582 4.885 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001442305517 1066115312 /nfs/dbraw/zinc/11/53/12/1066115312.db2.gz LMGKNCPRQJYOPG-SFHVURJKSA-N 1 0 459.553 4.898 20 0 JJADRO C[C@H](CC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442344601 1066118319 /nfs/dbraw/zinc/11/83/19/1066118319.db2.gz UDEPHZZYSWSSEW-ISKFKSNPSA-N 1 0 459.675 4.683 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CSC(c2ccccc2)=N1 ZINC001442350922 1066119202 /nfs/dbraw/zinc/11/92/02/1066119202.db2.gz IKGNHBWYSSHDIP-FQEVSTJZSA-N 1 0 450.435 4.836 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001442355892 1066119824 /nfs/dbraw/zinc/11/98/24/1066119824.db2.gz SSMYVWYWLDNWIS-UHFFFAOYSA-N 1 0 450.288 4.707 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC001360961447 1066121266 /nfs/dbraw/zinc/12/12/66/1066121266.db2.gz KAXAFAHCFLZJBR-XMMPIXPASA-N 1 0 455.602 4.947 20 0 JJADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc2cncc(Br)c2n1 ZINC001442385287 1066121947 /nfs/dbraw/zinc/12/19/47/1066121947.db2.gz JWSMJOYSMFOOOQ-UHFFFAOYSA-N 1 0 453.384 4.698 20 0 JJADRO C[C@@]1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1(Br)Br ZINC001442386754 1066122540 /nfs/dbraw/zinc/12/25/40/1066122540.db2.gz UYWJKBAZUYKBOA-SFHVURJKSA-N 1 0 458.238 4.575 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001442467655 1066128327 /nfs/dbraw/zinc/12/83/27/1066128327.db2.gz MLASLEZDCAHPRX-VWNXMTODSA-N 1 0 451.611 4.671 20 0 JJADRO Cc1ccoc1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001360977441 1066134777 /nfs/dbraw/zinc/13/47/77/1066134777.db2.gz QNJCNKQDNHKKPI-UHFFFAOYSA-N 1 0 455.578 4.503 20 0 JJADRO COc1ccc(C[NH+]2CCC(CNC(=O)CN(Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC001442574833 1066140216 /nfs/dbraw/zinc/14/02/16/1066140216.db2.gz WCPJSYRIAAVNFA-UHFFFAOYSA-N 1 0 457.618 4.730 20 0 JJADRO Cc1ccc([C@H](CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC001442597780 1066142865 /nfs/dbraw/zinc/14/28/65/1066142865.db2.gz ZSGGSTAKAGBBJZ-HOFKKMOUSA-N 1 0 451.611 4.688 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1csc(-c2ccc(CC)cc2)n1 ZINC001360983024 1066143078 /nfs/dbraw/zinc/14/30/78/1066143078.db2.gz CFUWHWZCWSVSQE-UHFFFAOYSA-N 1 0 450.608 4.775 20 0 JJADRO Cc1ccc([C@H](CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)[NH+]2CCCC2)cc1 ZINC001442603183 1066143326 /nfs/dbraw/zinc/14/33/26/1066143326.db2.gz PYLJYKLMGSJMGV-PKTZIBPZSA-N 1 0 455.643 4.675 20 0 JJADRO CC[C@@H](Cn1c(C(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1)Oc1ccccc1F ZINC001545950498 1066146352 /nfs/dbraw/zinc/14/63/52/1066146352.db2.gz QTMKSJYKFCRRGP-FQEVSTJZSA-N 1 0 471.646 4.824 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001360985609 1066148488 /nfs/dbraw/zinc/14/84/88/1066148488.db2.gz GVFWZUWJRHYVGY-FQEVSTJZSA-N 1 0 466.674 4.749 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360985939 1066149661 /nfs/dbraw/zinc/14/96/61/1066149661.db2.gz PEOQLXGWXDIJME-NRFANRHFSA-N 1 0 464.614 4.523 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360986759 1066154573 /nfs/dbraw/zinc/15/45/73/1066154573.db2.gz LGMXRSVJFCPGSB-UHFFFAOYSA-N 1 0 480.701 4.967 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(CN2CCCC2)on1 ZINC001442716744 1066154815 /nfs/dbraw/zinc/15/48/15/1066154815.db2.gz AJGKHXRLVKBGCG-UHFFFAOYSA-N 1 0 453.414 4.561 20 0 JJADRO Cn1c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc(=O)c2ccccc21 ZINC001442717088 1066154828 /nfs/dbraw/zinc/15/48/28/1066154828.db2.gz CAIAYBIKNRZNAE-UHFFFAOYSA-N 1 0 458.389 4.584 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@@H+](C)C(C)C ZINC001360986859 1066155654 /nfs/dbraw/zinc/15/56/54/1066155654.db2.gz NUBMVCMXMGMMTQ-UYAOXDASSA-N 1 0 466.095 4.970 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H]2CCSC2)n1CC[N@@H+](C)C(C)C ZINC001360986857 1066155674 /nfs/dbraw/zinc/15/56/74/1066155674.db2.gz NUBMVCMXMGMMTQ-ICSRJNTNSA-N 1 0 466.095 4.970 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001360989456 1066161369 /nfs/dbraw/zinc/16/13/69/1066161369.db2.gz FMUNLKNJWVGKMD-UNMCSNQZSA-N 1 0 476.065 4.525 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CCCO)CC2)n1C[C@H](C)[NH+](C)C ZINC001360989625 1066162536 /nfs/dbraw/zinc/16/25/36/1066162536.db2.gz HXEHELJLEQUZGH-VQTJNVASSA-N 1 0 478.081 4.627 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCCO1 ZINC001360990141 1066165869 /nfs/dbraw/zinc/16/58/69/1066165869.db2.gz QGXIOWLIBZTODP-DENIHFKCSA-N 1 0 476.065 4.834 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSC(C)(C)C2)n1CCOCC[NH+](C)C ZINC001360991396 1066169453 /nfs/dbraw/zinc/16/94/53/1066169453.db2.gz BRPNOBTVENYNKN-IBGZPJMESA-N 1 0 496.121 4.598 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001360991435 1066169790 /nfs/dbraw/zinc/16/97/90/1066169790.db2.gz CHANWPMFFQGSMX-RTWAWAEBSA-N 1 0 476.065 4.789 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC(C)(C)O ZINC001360992519 1066172016 /nfs/dbraw/zinc/17/20/16/1066172016.db2.gz PCKYVIZDQDGXQM-LJQANCHMSA-N 1 0 478.081 4.770 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001360992798 1066172558 /nfs/dbraw/zinc/17/25/58/1066172558.db2.gz UWMYRZDGSMMLDH-LZCXECNNSA-N 1 0 490.092 4.770 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC[C@H]2C)n1CC[N@@H+](C)C(C)C ZINC001360992905 1066172630 /nfs/dbraw/zinc/17/26/30/1066172630.db2.gz VYNNYVAOGVQITH-RTBURBONSA-N 1 0 466.095 4.970 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(Nc2cnn(C)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001360993078 1066172850 /nfs/dbraw/zinc/17/28/50/1066172850.db2.gz XXVUASYXFXBFFG-VQIMIIECSA-N 1 0 472.037 4.897 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC001361012456 1066197395 /nfs/dbraw/zinc/19/73/95/1066197395.db2.gz YPTFZNZMVCIWRF-HSZRJFAPSA-N 1 0 482.717 4.944 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@H](c2ccsc2)[NH+](C)C)c(C)c1 ZINC001361014916 1066202370 /nfs/dbraw/zinc/20/23/70/1066202370.db2.gz WZJVXSQCQADRHJ-JOCHJYFZSA-N 1 0 480.682 4.910 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC001361015071 1066202809 /nfs/dbraw/zinc/20/28/09/1066202809.db2.gz YPOZRYLAOPYOSG-DEOSSOPVSA-N 1 0 480.701 4.599 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361019244 1066209166 /nfs/dbraw/zinc/20/91/66/1066209166.db2.gz YBGQOWWBLXKPCA-VWNXMTODSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCSC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361019241 1066209226 /nfs/dbraw/zinc/20/92/26/1066209226.db2.gz YBGQOWWBLXKPCA-UPVQGACJSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001361020723 1066210992 /nfs/dbraw/zinc/21/09/92/1066210992.db2.gz FOKMRDPRHFKTRE-NRFANRHFSA-N 1 0 468.671 4.831 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361020814 1066211801 /nfs/dbraw/zinc/21/18/01/1066211801.db2.gz IUURWEHVLUFSCY-FQEVSTJZSA-N 1 0 469.033 4.643 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001361020994 1066212468 /nfs/dbraw/zinc/21/24/68/1066212468.db2.gz PLXPXVAFFVOIKS-UHFFFAOYSA-N 1 0 493.700 4.583 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC001361021115 1066213144 /nfs/dbraw/zinc/21/31/44/1066213144.db2.gz QQLBKSHWJAAIKY-QFIPXVFZSA-N 1 0 497.709 4.981 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001361021552 1066215053 /nfs/dbraw/zinc/21/50/53/1066215053.db2.gz YVMWNLYWALYDNC-QHCPKHFHSA-N 1 0 476.650 4.870 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CC3CC(F)C3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001361021907 1066215657 /nfs/dbraw/zinc/21/56/57/1066215657.db2.gz ADOXKLRQKSBUBE-DDRJZQQSSA-N 1 0 457.638 4.780 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001361022072 1066216314 /nfs/dbraw/zinc/21/63/14/1066216314.db2.gz FGPNZKFLCLKCQF-YGZVCBRSSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001361022069 1066216412 /nfs/dbraw/zinc/21/64/12/1066216412.db2.gz FGPNZKFLCLKCQF-NZRVCZAQSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001361023885 1066220502 /nfs/dbraw/zinc/22/05/02/1066220502.db2.gz FQMAABIPNPSCCF-RBBKRZOGSA-N 1 0 483.682 4.842 20 0 JJADRO CC[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC(C)C)CC1)[NH+]1CCCC1 ZINC001545951842 1066222784 /nfs/dbraw/zinc/22/27/84/1066222784.db2.gz CWSDVGSQIUZEDZ-UNMCSNQZSA-N 1 0 473.637 4.825 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361027251 1066229050 /nfs/dbraw/zinc/22/90/50/1066229050.db2.gz MYTCFHFGHAJCAA-SFHVURJKSA-N 1 0 461.601 4.830 20 0 JJADRO CCc1c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cnn1-c1ccccc1Cl ZINC001442842601 1066230837 /nfs/dbraw/zinc/23/08/37/1066230837.db2.gz OMGVNLDEENVMCU-UHFFFAOYSA-N 1 0 451.014 4.869 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)/C=C\c3csc(C(F)(F)F)c3)C2)ccn1 ZINC001454006744 1066232681 /nfs/dbraw/zinc/23/26/81/1066232681.db2.gz BTBQLUJBONUYAO-PHWHVTFISA-N 1 0 453.530 4.695 20 0 JJADRO CCCN(C(=O)C1CCN(Cc2csc(C)n2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442886470 1066237150 /nfs/dbraw/zinc/23/71/50/1066237150.db2.gz YAPUVSCPBKOBDD-VWLOTQADSA-N 1 0 454.684 4.567 20 0 JJADRO CC[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cc(C)on1)[NH+]1CCCC1 ZINC001545952595 1066237816 /nfs/dbraw/zinc/23/78/16/1066237816.db2.gz MPMKCNBMQPYULJ-RXVVDRJESA-N 1 0 473.021 4.879 20 0 JJADRO CCOc1ccc([C@]2(C(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCCC3)CC2(Cl)Cl)cc1 ZINC001442891152 1066237828 /nfs/dbraw/zinc/23/78/28/1066237828.db2.gz XSISSGMPJSGDPW-KNQAVFIVSA-N 1 0 451.394 4.755 20 0 JJADRO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)c2)CC1 ZINC001442906226 1066238539 /nfs/dbraw/zinc/23/85/39/1066238539.db2.gz JKMIQZHUGLLYNH-HSZRJFAPSA-N 1 0 457.659 4.960 20 0 JJADRO Cc1cc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c(C)n1[C@@H]1CCCOC1 ZINC001442911185 1066239349 /nfs/dbraw/zinc/23/93/49/1066239349.db2.gz WZFHEFWRDSPZHB-HSZRJFAPSA-N 1 0 452.599 4.523 20 0 JJADRO Cc1ccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC([NH2+]C(C)C)CC2)s1 ZINC001361031014 1066239627 /nfs/dbraw/zinc/23/96/27/1066239627.db2.gz DUILKTPBQOVQJO-UHFFFAOYSA-N 1 0 453.656 4.859 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@H]2CCO[C@@H](C)C2)c1 ZINC001361031517 1066242374 /nfs/dbraw/zinc/24/23/74/1066242374.db2.gz UEUNACABLDZCEY-GOTSBHOMSA-N 1 0 469.674 4.646 20 0 JJADRO CC[C@@]1(C)CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[N@@H+](C(C)C)CC2)O1 ZINC001546057619 1066243330 /nfs/dbraw/zinc/24/33/30/1066243330.db2.gz VJTGTGVIGIPOMY-IGKIAQTJSA-N 1 0 453.675 4.722 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361032151 1066245029 /nfs/dbraw/zinc/24/50/29/1066245029.db2.gz MHGVNSFIHXGRAQ-CUBQBAPOSA-N 1 0 483.701 4.726 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454116385 1066246755 /nfs/dbraw/zinc/24/67/55/1066246755.db2.gz FUWOAYKMPILSGL-GOTSBHOMSA-N 1 0 455.643 4.585 20 0 JJADRO CCn1c(SCC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)nnc1-c1ccccc1C ZINC001546058443 1066251086 /nfs/dbraw/zinc/25/10/86/1066251086.db2.gz NQHGPGHFGAGAHU-UHFFFAOYSA-N 1 0 455.672 4.525 20 0 JJADRO Cc1nc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)sc1C ZINC001361034928 1066251718 /nfs/dbraw/zinc/25/17/18/1066251718.db2.gz JGFJYVOFYHAYED-UHFFFAOYSA-N 1 0 468.671 4.516 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361035209 1066253136 /nfs/dbraw/zinc/25/31/36/1066253136.db2.gz SCWISQAEMASFMX-NDEPHWFRSA-N 1 0 483.701 4.726 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCc2nccs2)c1 ZINC001361035508 1066254359 /nfs/dbraw/zinc/25/43/59/1066254359.db2.gz DXXQKQVEDZWQGH-UHFFFAOYSA-N 1 0 482.698 4.731 20 0 JJADRO C[NH+](C)C1(CNC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)Cc2ccccc2C1 ZINC001361040935 1066263785 /nfs/dbraw/zinc/26/37/85/1066263785.db2.gz LYRLLCOGPWVVRU-XMMPIXPASA-N 1 0 452.957 4.815 20 0 JJADRO COc1c(Br)c(C)sc1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001454327761 1066270084 /nfs/dbraw/zinc/27/00/84/1066270084.db2.gz VXHIGKJNLYJVIJ-UHFFFAOYSA-N 1 0 451.430 4.860 20 0 JJADRO Cc1cc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC[NH+](C(C)C)C(C)C)c2ccccc2n1 ZINC001361045568 1066270516 /nfs/dbraw/zinc/27/05/16/1066270516.db2.gz BUMBPZXDIIXZJR-QFIPXVFZSA-N 1 0 464.658 4.783 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[NH+](CC(C)C)CC2)O1 ZINC001546060041 1066271676 /nfs/dbraw/zinc/27/16/76/1066271676.db2.gz UQTIVUDEIRPQHN-QFQXNSOFSA-N 1 0 487.714 4.705 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[NH+](CC(C)C)CC2)O1 ZINC001546060039 1066271929 /nfs/dbraw/zinc/27/19/29/1066271929.db2.gz UQTIVUDEIRPQHN-HFZDXXHNSA-N 1 0 487.714 4.705 20 0 JJADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC001443152827 1066274323 /nfs/dbraw/zinc/27/43/23/1066274323.db2.gz CQYCFJGOEGJBEL-JOCHJYFZSA-N 1 0 458.484 4.932 20 0 JJADRO Cc1cc(C)c2c(c1)N(C(=O)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)CCC2 ZINC001443167760 1066276830 /nfs/dbraw/zinc/27/68/30/1066276830.db2.gz SIAAEPLDRGZVLD-HSZRJFAPSA-N 1 0 451.611 4.608 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001454396561 1066277284 /nfs/dbraw/zinc/27/72/84/1066277284.db2.gz BSUDSPQPZUDIIJ-VGOFRKELSA-N 1 0 457.496 4.816 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001361048660 1066277758 /nfs/dbraw/zinc/27/77/58/1066277758.db2.gz ZVIHBXYUNFBZSY-AGILITTLSA-N 1 0 457.659 4.877 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC001546061541 1066281613 /nfs/dbraw/zinc/28/16/13/1066281613.db2.gz BQQDBUQIVOPIST-VCWGXOKSSA-N 1 0 475.703 4.773 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC001546061540 1066281723 /nfs/dbraw/zinc/28/17/23/1066281723.db2.gz BQQDBUQIVOPIST-SEINPYIVSA-N 1 0 475.703 4.773 20 0 JJADRO Cc1cc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2n1 ZINC001361049848 1066283822 /nfs/dbraw/zinc/28/38/22/1066283822.db2.gz PVASPKURKNLKSZ-GOSISDBHSA-N 1 0 456.585 4.871 20 0 JJADRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001443260623 1066285717 /nfs/dbraw/zinc/28/57/17/1066285717.db2.gz DUZHXZRLQKMVER-WMZHIEFXSA-N 1 0 451.611 4.594 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ncccc2-c2ccccn2)CC1 ZINC001443264474 1066286284 /nfs/dbraw/zinc/28/62/84/1066286284.db2.gz JRAPVHLVXNGYAH-UHFFFAOYSA-N 1 0 454.496 4.899 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C[C@H]1CC)[NH+]1CCCC1 ZINC001545956338 1066287013 /nfs/dbraw/zinc/28/70/13/1066287013.db2.gz AMSFZNVNEBKSCG-BHIYHBOVSA-N 1 0 463.468 4.545 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001546061921 1066287178 /nfs/dbraw/zinc/28/71/78/1066287178.db2.gz HULMZSGAEMJUNE-NTUVXCKYSA-N 1 0 461.651 4.621 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)C[NH+](C)C)no1 ZINC001361053958 1066289657 /nfs/dbraw/zinc/28/96/57/1066289657.db2.gz WYDJHEMZTFEPCW-QGZVFWFLSA-N 1 0 461.010 4.592 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1)OC ZINC001545956739 1066291052 /nfs/dbraw/zinc/29/10/52/1066291052.db2.gz IFXGXKDHSIBHFP-QFIPXVFZSA-N 1 0 490.490 4.835 20 0 JJADRO O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001443301704 1066292278 /nfs/dbraw/zinc/29/22/78/1066292278.db2.gz WGZBJERJJUEZMK-LBPRGKRZSA-N 1 0 451.302 4.734 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC[N@@H+](C)C(C)C)no1 ZINC001361055050 1066292643 /nfs/dbraw/zinc/29/26/43/1066292643.db2.gz PQNFNCTUTXQUFJ-UHFFFAOYSA-N 1 0 465.627 4.650 20 0 JJADRO Cc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361060154 1066299653 /nfs/dbraw/zinc/29/96/53/1066299653.db2.gz KQPQNCTZJNGSBI-UPVQGACJSA-N 1 0 496.700 4.822 20 0 JJADRO Cc1ccc2nc(CSCC(=O)N[C@H](C[NH+](C)C)c3ccc(Cl)c(Cl)c3)cn2c1 ZINC001454572931 1066302248 /nfs/dbraw/zinc/30/22/48/1066302248.db2.gz BUYPMFLWKITEOO-LJQANCHMSA-N 1 0 451.423 4.602 20 0 JJADRO O=C(c1cc(Br)cc(Br)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001443388264 1066304856 /nfs/dbraw/zinc/30/48/56/1066304856.db2.gz RNSQSXIQWLYKNU-UHFFFAOYSA-N 1 0 458.238 4.940 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3ccc(SC(F)(F)F)o3)CC2)c1C ZINC001443403106 1066306007 /nfs/dbraw/zinc/30/60/07/1066306007.db2.gz ANGRGWRJQGSAKK-UHFFFAOYSA-N 1 0 457.518 4.649 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)C[NH+]2CCCC2)no1 ZINC001361066627 1066306225 /nfs/dbraw/zinc/30/62/25/1066306225.db2.gz MSMNYAGAQGSXFV-INIZCTEOSA-N 1 0 493.439 4.829 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545958366 1066308901 /nfs/dbraw/zinc/30/89/01/1066308901.db2.gz BMOWFBZHMNXWRH-WMQCIHAUSA-N 1 0 489.064 4.575 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001546063740 1066309014 /nfs/dbraw/zinc/30/90/14/1066309014.db2.gz BLRRNLPSGYVQIP-KNQAVFIVSA-N 1 0 464.427 4.813 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccco1)C(C)C)[NH+]1CCCC1 ZINC001545958441 1066310069 /nfs/dbraw/zinc/31/00/69/1066310069.db2.gz CYNWOCNGKJMVKN-GOSISDBHSA-N 1 0 475.435 4.918 20 0 JJADRO CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C1CCC1)[NH+]1CCCC1 ZINC001545958460 1066310627 /nfs/dbraw/zinc/31/06/27/1066310627.db2.gz DOKNNURKXOVCNK-MRXNPFEDSA-N 1 0 450.400 4.710 20 0 JJADRO Cc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)cs1 ZINC001361070932 1066310960 /nfs/dbraw/zinc/31/09/60/1066310960.db2.gz YUKJJRKCMMCTKH-IBGZPJMESA-N 1 0 457.619 4.896 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)CC1)[NH+]1CCCC1 ZINC001545958574 1066311392 /nfs/dbraw/zinc/31/13/92/1066311392.db2.gz GVXRZQHEPAMHEA-SFHVURJKSA-N 1 0 464.427 4.957 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cscn1)[NH+]1CCCC1 ZINC001545958637 1066312020 /nfs/dbraw/zinc/31/20/20/1066312020.db2.gz ICPPUXNUTHEXHE-KRWDZBQOSA-N 1 0 493.450 4.814 20 0 JJADRO Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCC(C)C)cc(N2CCCC2)[nH+]1 ZINC001361073093 1066314191 /nfs/dbraw/zinc/31/41/91/1066314191.db2.gz BXZNMVXPVLMEBV-UHFFFAOYSA-N 1 0 454.022 4.828 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001546064239 1066317166 /nfs/dbraw/zinc/31/71/66/1066317166.db2.gz LLRJJIZCQFUDPX-AFMDSPMNSA-N 1 0 499.681 4.962 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)sc2C1 ZINC001443494700 1066318840 /nfs/dbraw/zinc/31/88/40/1066318840.db2.gz VFVAJZPUEAMAPU-UHFFFAOYSA-N 1 0 456.612 4.675 20 0 JJADRO CCCC[NH+]1CCC(NC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)CC1 ZINC001443532000 1066324482 /nfs/dbraw/zinc/32/44/82/1066324482.db2.gz ARPSQRBUSHVYMS-UHFFFAOYSA-N 1 0 450.623 4.695 20 0 JJADRO CCCC[NH+]1CCC(NC(=O)C[C@@H](C)CCc2ccc(I)cc2)CC1 ZINC001443533724 1066325333 /nfs/dbraw/zinc/32/53/33/1066325333.db2.gz MYZKPFGSIFYQDP-KRWDZBQOSA-N 1 0 456.412 4.631 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1ccc(C)s1)[NH+]1CCCC1 ZINC001545959657 1066326233 /nfs/dbraw/zinc/32/62/33/1066326233.db2.gz ZVEWEOQSIKMWLF-FQEVSTJZSA-N 1 0 469.655 4.843 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC[N@H+]1CC=CCC1 ZINC001361087788 1066328052 /nfs/dbraw/zinc/32/80/52/1066328052.db2.gz CHQPOJBKYJOARP-OYRHEFFESA-N 1 0 490.117 4.844 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001361088638 1066332010 /nfs/dbraw/zinc/33/20/10/1066332010.db2.gz KNRIRQQJWIHNQN-FGZHOGPDSA-N 1 0 490.092 4.741 20 0 JJADRO CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001443600198 1066335588 /nfs/dbraw/zinc/33/55/88/1066335588.db2.gz GOCBFCLLNSQNAD-MUUNZHRXSA-N 1 0 456.634 4.643 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC[NH+]2CCCC2)C1 ZINC001546065933 1066337237 /nfs/dbraw/zinc/33/72/37/1066337237.db2.gz CJZNAMFXJDGFPC-QHCPKHFHSA-N 1 0 476.463 4.829 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSC[C@@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001361090130 1066337765 /nfs/dbraw/zinc/33/77/65/1066337765.db2.gz ATBMAGMOHPPXDQ-CTNGQTDRSA-N 1 0 492.133 4.925 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1CCCS1 ZINC001361090954 1066340126 /nfs/dbraw/zinc/34/01/26/1066340126.db2.gz LHXLICYDIPFNKH-QFIPXVFZSA-N 1 0 492.133 4.925 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001546066351 1066340971 /nfs/dbraw/zinc/34/09/71/1066340971.db2.gz LMRGSGUGNWTYLM-JIPXPUAJSA-N 1 0 469.674 4.957 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001546066352 1066341007 /nfs/dbraw/zinc/34/10/07/1066341007.db2.gz LMRGSGUGNWTYLM-KDYSTLNUSA-N 1 0 469.674 4.957 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001546066350 1066341070 /nfs/dbraw/zinc/34/10/70/1066341070.db2.gz LMRGSGUGNWTYLM-IDISGSTGSA-N 1 0 469.674 4.957 20 0 JJADRO Cc1ccc2nc(COc3ccccc3C(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)cn2c1 ZINC001443644238 1066343911 /nfs/dbraw/zinc/34/39/11/1066343911.db2.gz NESNYBGOLIIKKQ-UHFFFAOYSA-N 1 0 456.590 4.992 20 0 JJADRO Cc1cc(F)ccc1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001361094703 1066344852 /nfs/dbraw/zinc/34/48/52/1066344852.db2.gz IFNLZMVSWZDFAY-GOTSBHOMSA-N 1 0 484.708 4.552 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546066713 1066345149 /nfs/dbraw/zinc/34/51/49/1066345149.db2.gz TVEKMCMIIZKOCN-QDPGVEIFSA-N 1 0 499.700 4.724 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001546066988 1066348024 /nfs/dbraw/zinc/34/80/24/1066348024.db2.gz ZAGFMHZJUABJNF-AREMUKBSSA-N 1 0 455.647 4.711 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001546066989 1066348289 /nfs/dbraw/zinc/34/82/89/1066348289.db2.gz ZAGFMHZJUABJNF-SANMLTNESA-N 1 0 455.647 4.711 20 0 JJADRO Cc1cccc(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001361099925 1066349928 /nfs/dbraw/zinc/34/99/28/1066349928.db2.gz PSDSIJHFDRPEGM-FNZWTVRRSA-N 1 0 461.614 4.512 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005933 1066351757 /nfs/dbraw/zinc/35/17/57/1066351757.db2.gz ABGRPQPZRANWBX-QAPCUYQASA-N 1 0 451.792 4.569 20 0 JJADRO C[C@H](C(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001443722996 1066356936 /nfs/dbraw/zinc/35/69/36/1066356936.db2.gz BLDFXODKDUXEEC-LEWJYISDSA-N 1 0 455.593 4.513 20 0 JJADRO COc1ccc(C2CC2)c(NC(=O)[C@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001455079034 1066358037 /nfs/dbraw/zinc/35/80/37/1066358037.db2.gz PWTCYBJNFPMMIF-QHCPKHFHSA-N 1 0 453.583 4.536 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001546068600 1066360161 /nfs/dbraw/zinc/36/01/61/1066360161.db2.gz SILLYVGBILBSJQ-CYFREDJKSA-N 1 0 490.490 4.691 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)OC ZINC001545961581 1066361515 /nfs/dbraw/zinc/36/15/15/1066361515.db2.gz YFGHAIVKBJPIML-NRFANRHFSA-N 1 0 478.479 4.689 20 0 JJADRO Cc1cccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001361111987 1066362479 /nfs/dbraw/zinc/36/24/79/1066362479.db2.gz IAOQIOAEPBSYRA-UHFFFAOYSA-N 1 0 462.642 4.737 20 0 JJADRO O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001455115696 1066363288 /nfs/dbraw/zinc/36/32/88/1066363288.db2.gz KKRZYTTZFURFEY-AREMUKBSSA-N 1 0 457.574 4.878 20 0 JJADRO O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001455118017 1066363439 /nfs/dbraw/zinc/36/34/39/1066363439.db2.gz BNPCOXFHVKRRNA-VWLOTQADSA-N 1 0 459.055 4.922 20 0 JJADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC001443764263 1066363867 /nfs/dbraw/zinc/36/38/67/1066363867.db2.gz UWPSNIMRUCKVFN-JXMROGBWSA-N 1 0 452.396 4.570 20 0 JJADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001443770033 1066365680 /nfs/dbraw/zinc/36/56/80/1066365680.db2.gz GTMFWBMLDISOJB-VEYUFSJPSA-N 1 0 455.687 4.557 20 0 JJADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC001443777559 1066367254 /nfs/dbraw/zinc/36/72/54/1066367254.db2.gz WLXCKVJEFKLSTF-YLJYHZDGSA-N 1 0 456.412 4.631 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)Oc1cccc(F)c1 ZINC001545962370 1066367460 /nfs/dbraw/zinc/36/74/60/1066367460.db2.gz BIQNLEAADXVTHR-WAOWUJCRSA-N 1 0 455.578 4.762 20 0 JJADRO Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCCC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC001361117325 1066368579 /nfs/dbraw/zinc/36/85/79/1066368579.db2.gz DZNMBVXNQNQJLX-HXUWFJFHSA-N 1 0 486.730 4.825 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNC(=O)Cc1cccc(Br)c1)C1CCCC1 ZINC001361119079 1066370521 /nfs/dbraw/zinc/37/05/21/1066370521.db2.gz OTGXQAWOSMTCKK-UHFFFAOYSA-N 1 0 459.428 4.951 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1c(C)cc(C)c(Br)c1C ZINC001443809701 1066370507 /nfs/dbraw/zinc/37/05/07/1066370507.db2.gz YJXWNWHROFSPPK-OAQYLSRUSA-N 1 0 458.444 4.825 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001361123791 1066375662 /nfs/dbraw/zinc/37/56/62/1066375662.db2.gz MVRQSJLDJUPHIW-IBGZPJMESA-N 1 0 453.553 4.628 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)cc1Cl ZINC001443847643 1066375963 /nfs/dbraw/zinc/37/59/63/1066375963.db2.gz JWIRLNMRNRGJIK-PKOBYXMFSA-N 1 0 454.011 4.693 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001546070666 1066376140 /nfs/dbraw/zinc/37/61/40/1066376140.db2.gz NCSJLNSZCNWBFF-MUUNZHRXSA-N 1 0 493.700 4.981 20 0 JJADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001443857495 1066377096 /nfs/dbraw/zinc/37/70/96/1066377096.db2.gz FXJJHJWHCVBWBA-UHFFFAOYSA-N 1 0 458.002 4.851 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc3c(cncc3Br)s2)cc1Cl ZINC001443852890 1066377120 /nfs/dbraw/zinc/37/71/20/1066377120.db2.gz VFQGJDYHXCGXTC-UHFFFAOYSA-N 1 0 454.777 4.905 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001361125918 1066380545 /nfs/dbraw/zinc/38/05/45/1066380545.db2.gz HHDIWYPWJYQCKM-VXNXHJTFSA-N 1 0 483.701 4.618 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361126374 1066384370 /nfs/dbraw/zinc/38/43/70/1066384370.db2.gz QVAGSQTYVJLCOK-VXNXHJTFSA-N 1 0 483.701 4.738 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001361126564 1066385222 /nfs/dbraw/zinc/38/52/22/1066385222.db2.gz UYCRSMHGSIVJOO-WXFUMESZSA-N 1 0 483.701 4.618 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001361127159 1066387382 /nfs/dbraw/zinc/38/73/82/1066387382.db2.gz GHQIRHLXRANWGK-XMMPIXPASA-N 1 0 496.744 4.941 20 0 JJADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H](CO)c1ccc(Cl)cc1 ZINC001455421462 1066388911 /nfs/dbraw/zinc/38/89/11/1066388911.db2.gz UYYTUBNHRVOAHO-KODFZCBSSA-N 1 0 463.021 4.622 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC3(C)C)n2CCCC[NH+]2CCOCC2)c1 ZINC001361127525 1066389141 /nfs/dbraw/zinc/38/91/41/1066389141.db2.gz LATJYEFMBVNYPQ-UHFFFAOYSA-N 1 0 469.674 4.780 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCC[C@H](O)C2)c1 ZINC001361128276 1066391709 /nfs/dbraw/zinc/39/17/09/1066391709.db2.gz VXWUNXRAFYIZIG-UPVQGACJSA-N 1 0 483.701 4.807 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccc(F)cn2)c1 ZINC001361129543 1066393218 /nfs/dbraw/zinc/39/32/18/1066393218.db2.gz ABOAWUGSDWAAPQ-UHFFFAOYSA-N 1 0 480.632 4.792 20 0 JJADRO CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461287 1066393650 /nfs/dbraw/zinc/39/36/50/1066393650.db2.gz CNHKUDLJUTZEDM-AJTFRIOCSA-N 1 0 451.630 4.764 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(c4cccs4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001361129786 1066394027 /nfs/dbraw/zinc/39/40/27/1066394027.db2.gz DQDJHFSPDWZCGZ-OAQYLSRUSA-N 1 0 482.698 4.627 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361130807 1066396654 /nfs/dbraw/zinc/39/66/54/1066396654.db2.gz ROCRHPQDNMXUIF-YTFSRNRJSA-N 1 0 469.674 4.634 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361131038 1066397964 /nfs/dbraw/zinc/39/79/64/1066397964.db2.gz WBDLELSQXZZLOZ-NRFANRHFSA-N 1 0 497.606 4.644 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCC2)C1 ZINC001546073290 1066399470 /nfs/dbraw/zinc/39/94/70/1066399470.db2.gz QVRWXFDJHXHMOV-QFQXNSOFSA-N 1 0 474.694 4.505 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC(C)([NH+]4CCCCC4)CC3)cc2CC1 ZINC001455506713 1066399572 /nfs/dbraw/zinc/39/95/72/1066399572.db2.gz QFRWVCGWMSYGNV-UHFFFAOYSA-N 1 0 455.643 4.503 20 0 JJADRO C[C@@H]([NH2+]C1(CNC(=O)Cc2noc3ccc(Br)cc23)CCCC1)c1ccccc1 ZINC001444086928 1066403067 /nfs/dbraw/zinc/40/30/67/1066403067.db2.gz JMBLLWSMNWKHQX-MRXNPFEDSA-N 1 0 456.384 4.913 20 0 JJADRO Cc1ccc([C@H](C)Cn2c(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001361134062 1066405501 /nfs/dbraw/zinc/40/55/01/1066405501.db2.gz ACBXHXHYZAUUFD-HSZRJFAPSA-N 1 0 466.718 4.683 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](OCC(C)C)C1)[NH+]1CCCC1 ZINC001545964383 1066405569 /nfs/dbraw/zinc/40/55/69/1066405569.db2.gz CSRCTVJIYOECDS-UXHICEINSA-N 1 0 464.029 4.863 20 0 JJADRO Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001361134402 1066406285 /nfs/dbraw/zinc/40/62/85/1066406285.db2.gz CUWFOHHRJMEXCY-VWLOTQADSA-N 1 0 496.700 4.815 20 0 JJADRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC001455543285 1066408559 /nfs/dbraw/zinc/40/85/59/1066408559.db2.gz SFTDIZVNHLODPD-UHFFFAOYSA-N 1 0 459.562 4.539 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)CC[C@H](O)c2ccc(C(C)(C)C)cc2)CCOCC1 ZINC001455543107 1066408822 /nfs/dbraw/zinc/40/88/22/1066408822.db2.gz KFZWJKBNQCLZHM-VWLOTQADSA-N 1 0 452.639 4.595 20 0 JJADRO Cc1ccc([C@H](Cn2c(C(C)C)nnc2N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361136293 1066410234 /nfs/dbraw/zinc/41/02/34/1066410234.db2.gz ROQJAMVMVVVMBP-VXNXHJTFSA-N 1 0 496.700 4.752 20 0 JJADRO Cc1ccc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001361136739 1066410791 /nfs/dbraw/zinc/41/07/91/1066410791.db2.gz ZCPKQZCBPYFMCH-KMDXXIMOSA-N 1 0 467.702 4.914 20 0 JJADRO Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001361137179 1066412278 /nfs/dbraw/zinc/41/22/78/1066412278.db2.gz YHQWDWDALFIRTH-UKILVPOCSA-N 1 0 496.700 4.815 20 0 JJADRO CCOc1ccccc1OCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444138535 1066413145 /nfs/dbraw/zinc/41/31/45/1066413145.db2.gz PFIVJTMSPYSKQU-FQEVSTJZSA-N 1 0 450.501 4.654 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCCC1 ZINC001545964924 1066415656 /nfs/dbraw/zinc/41/56/56/1066415656.db2.gz MNPSFGCWGJPTGG-KRWDZBQOSA-N 1 0 478.950 4.922 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)o1 ZINC001361139944 1066416434 /nfs/dbraw/zinc/41/64/34/1066416434.db2.gz RZVKSEKKCVDYMY-GHTZIAJQSA-N 1 0 490.574 4.531 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)o1 ZINC001361139973 1066417101 /nfs/dbraw/zinc/41/71/01/1066417101.db2.gz SGZMMXGKBQVGMW-QFIPXVFZSA-N 1 0 494.640 4.515 20 0 JJADRO Cc1ccc([C@H](Cn2c(C3CCCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC001361140042 1066417204 /nfs/dbraw/zinc/41/72/04/1066417204.db2.gz UIIYHLMIJBNGSI-NRFANRHFSA-N 1 0 477.575 4.895 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCSC3(CCOCC3)C2)[NH+](C)C)cc1 ZINC001361139981 1066417223 /nfs/dbraw/zinc/41/72/23/1066417223.db2.gz SHYUBGUBHNDXQG-QFIPXVFZSA-N 1 0 471.715 4.580 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)C[C@@H](C)c2nccs2)[NH+](C)C)cc1 ZINC001361140325 1066417282 /nfs/dbraw/zinc/41/72/82/1066417282.db2.gz YROPQYDXOULPLA-KNQAVFIVSA-N 1 0 461.639 4.648 20 0 JJADRO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001455640399 1066418252 /nfs/dbraw/zinc/41/82/52/1066418252.db2.gz KUCNBQXTBPCEOV-UGKGYDQZSA-N 1 0 452.561 4.915 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CC[C@@H](C)C(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361140860 1066419341 /nfs/dbraw/zinc/41/93/41/1066419341.db2.gz HRWPPKOMNVOQHA-ZXDNMGRFSA-N 1 0 483.701 4.802 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)S[C@@H](C)C1)[NH+]1CCCC1 ZINC001545965252 1066420231 /nfs/dbraw/zinc/42/02/31/1066420231.db2.gz TXYYACSCYSZJBF-JENIJYKNSA-N 1 0 464.079 4.812 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC001361141286 1066420343 /nfs/dbraw/zinc/42/03/43/1066420343.db2.gz MBPBIDWKLCDLJJ-PWHSHALESA-N 1 0 452.672 4.870 20 0 JJADRO Cc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)CCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC001361141292 1066420809 /nfs/dbraw/zinc/42/08/09/1066420809.db2.gz MBVAKZJXMTYZNW-WOJBJXKFSA-N 1 0 451.537 4.664 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCCC1 ZINC001545965308 1066420858 /nfs/dbraw/zinc/42/08/58/1066420858.db2.gz VHAYJFNHEPDVSY-XLIONFOSSA-N 1 0 484.998 4.546 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CCCC[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361141606 1066420939 /nfs/dbraw/zinc/42/09/39/1066420939.db2.gz ONILNKMNWMUVMC-DPPGTGKWSA-N 1 0 469.674 4.556 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC001361141660 1066421865 /nfs/dbraw/zinc/42/18/65/1066421865.db2.gz PUJLUXQHQNGLDR-IGKIAQTJSA-N 1 0 497.709 4.936 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CC[C@@H](CC(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361141799 1066421882 /nfs/dbraw/zinc/42/18/82/1066421882.db2.gz QMTWFOIUCZUGMS-AGJHTDJMSA-N 1 0 483.701 4.802 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001361141647 1066421897 /nfs/dbraw/zinc/42/18/97/1066421897.db2.gz PNCKAOPRUISQOE-OAQYLSRUSA-N 1 0 466.680 4.943 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CC[C@@H](CC(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361141802 1066422741 /nfs/dbraw/zinc/42/27/41/1066422741.db2.gz QMTWFOIUCZUGMS-YRLRHBCXSA-N 1 0 483.701 4.802 20 0 JJADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001444164957 1066423534 /nfs/dbraw/zinc/42/35/34/1066423534.db2.gz HRVBPHNKINHPQX-ROUUACIJSA-N 1 0 450.649 4.536 20 0 JJADRO CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001444169409 1066424663 /nfs/dbraw/zinc/42/46/63/1066424663.db2.gz MGPGKUZVGFRYEV-RTWAWAEBSA-N 1 0 455.672 4.596 20 0 JJADRO C[C@H]1CN(C(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)CC[N@@H+]1C1CCCC1 ZINC001455702719 1066424927 /nfs/dbraw/zinc/42/49/27/1066424927.db2.gz OAZDDWXOXAMKKS-HNNXBMFYSA-N 1 0 454.924 4.693 20 0 JJADRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(CNC(=O)c4ccc(C(F)(F)F)cc4)cc3)C[N@@H+]2C1 ZINC001444176527 1066425410 /nfs/dbraw/zinc/42/54/10/1066425410.db2.gz PIJWPGUGQCACKK-ZWDAVXSWSA-N 1 0 459.512 4.694 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)C1 ZINC001444178474 1066426244 /nfs/dbraw/zinc/42/62/44/1066426244.db2.gz VKZIMHRHVMWTRK-VWNXMTODSA-N 1 0 455.643 4.586 20 0 JJADRO Cc1ccc(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCC(C)CC3)CC2)c1 ZINC001361145493 1066428761 /nfs/dbraw/zinc/42/87/61/1066428761.db2.gz ZFWZVOBOLPVZIM-UHFFFAOYSA-N 1 0 466.718 4.932 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001361145635 1066428883 /nfs/dbraw/zinc/42/88/83/1066428883.db2.gz DSAOUVLXNNPWBD-FGZHOGPDSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1ccc(C)c(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001361145481 1066428912 /nfs/dbraw/zinc/42/89/12/1066428912.db2.gz YWPMDYHMTODTQV-UHFFFAOYSA-N 1 0 482.076 4.667 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC1CC(F)C1)[NH+]1CCCC1 ZINC001545966326 1066432240 /nfs/dbraw/zinc/43/22/40/1066432240.db2.gz BVNKEUYHQWDNEN-KVZIAJEVSA-N 1 0 494.453 4.775 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccn3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001361146251 1066432344 /nfs/dbraw/zinc/43/23/44/1066432344.db2.gz XNOVBXNYGALNAK-QHCPKHFHSA-N 1 0 476.650 4.870 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001361148217 1066433630 /nfs/dbraw/zinc/43/36/30/1066433630.db2.gz DMYRBJZOMUXSSU-OAQYLSRUSA-N 1 0 468.671 4.831 20 0 JJADRO C[C@H](C(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001444249360 1066435335 /nfs/dbraw/zinc/43/53/35/1066435335.db2.gz RKAMEMKMTUXMJU-QDSKXPNFSA-N 1 0 457.659 4.529 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361148594 1066435747 /nfs/dbraw/zinc/43/57/47/1066435747.db2.gz PRIFERUBSRKPDE-CTNGQTDRSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361148769 1066436832 /nfs/dbraw/zinc/43/68/32/1066436832.db2.gz WBNJEUOSXDMWBD-UPVQGACJSA-N 1 0 483.701 4.847 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001444258845 1066436909 /nfs/dbraw/zinc/43/69/09/1066436909.db2.gz KLDWQYXKSQOTLN-NEWJYFPISA-N 1 0 455.643 4.583 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001361148841 1066437396 /nfs/dbraw/zinc/43/73/96/1066437396.db2.gz ZAIQCEOJXLMPRX-JWQCQUIFSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1NC(=O)c1ccncc1 ZINC001444298447 1066444827 /nfs/dbraw/zinc/44/48/27/1066444827.db2.gz NMXPUEHADZBNLV-URXFXBBRSA-N 1 0 456.590 4.767 20 0 JJADRO Cc1csc(C[C@H]2CCCN(C(=O)[C@@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001455887518 1066446112 /nfs/dbraw/zinc/44/61/12/1066446112.db2.gz KQFUWCYBAPVXSV-DENIHFKCSA-N 1 0 451.558 4.687 20 0 JJADRO Cc1csc(C[C@@H]2CCCN(C(=O)[C@@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001455887522 1066446163 /nfs/dbraw/zinc/44/61/63/1066446163.db2.gz KQFUWCYBAPVXSV-SIKLNZKXSA-N 1 0 451.558 4.687 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[NH+]2CCCC2)C1 ZINC001546077515 1066450070 /nfs/dbraw/zinc/45/00/70/1066450070.db2.gz QEAHWMCGPFLIJT-RUZDIDTESA-N 1 0 460.066 4.974 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2CCCCO2)c1 ZINC001361154512 1066451190 /nfs/dbraw/zinc/45/11/90/1066451190.db2.gz BCLRQUHIGJPTKK-XMMPIXPASA-N 1 0 469.674 4.600 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC001444346788 1066452609 /nfs/dbraw/zinc/45/26/09/1066452609.db2.gz IRUQREOLZBTVES-JOCHJYFZSA-N 1 0 450.410 4.834 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 ZINC001361155115 1066453109 /nfs/dbraw/zinc/45/31/09/1066453109.db2.gz LZARBAHZQKQICC-ATIYNZHBSA-N 1 0 469.674 4.502 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CC1 ZINC001444355144 1066453933 /nfs/dbraw/zinc/45/39/33/1066453933.db2.gz USFIACRSVXXDTA-QHCPKHFHSA-N 1 0 458.647 4.583 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3c[nH]c(=NC(=O)OC(C)(C)C)s3)cc2)CC1 ZINC001444358820 1066454399 /nfs/dbraw/zinc/45/43/99/1066454399.db2.gz YPNJRKFMDZHSAF-UHFFFAOYSA-N 1 0 459.616 4.520 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CCCC(C)C)c1 ZINC001361155452 1066455218 /nfs/dbraw/zinc/45/52/18/1066455218.db2.gz UJBUXLNKJUZFSK-VWLOTQADSA-N 1 0 482.717 4.515 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CC[N@H+]2CC=CCC2)c1 ZINC001361155676 1066455562 /nfs/dbraw/zinc/45/55/62/1066455562.db2.gz XXLBFQBPHHBAKD-UHFFFAOYSA-N 1 0 462.425 4.635 20 0 JJADRO C[C@H]1[C@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC001455953857 1066459516 /nfs/dbraw/zinc/45/95/16/1066459516.db2.gz WZBAIIZZPMICAY-SCLBCKFNSA-N 1 0 452.407 4.547 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546077892 1066460157 /nfs/dbraw/zinc/46/01/57/1066460157.db2.gz XQMBLRDPFFLMJU-TYPXCFOJSA-N 1 0 483.701 4.586 20 0 JJADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001444420674 1066460744 /nfs/dbraw/zinc/46/07/44/1066460744.db2.gz AGPWKDWIPJKURJ-INIZCTEOSA-N 1 0 451.792 4.999 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361158928 1066461937 /nfs/dbraw/zinc/46/19/37/1066461937.db2.gz ITCUAYLHLLVKNG-HHHXNRCGSA-N 1 0 471.690 4.582 20 0 JJADRO Cc1ccoc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001361159456 1066464545 /nfs/dbraw/zinc/46/45/45/1066464545.db2.gz ZUNGTWQDQVTYRJ-UHFFFAOYSA-N 1 0 451.615 4.734 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCSC(CC)(CC)C1)[NH+]1CCCC1 ZINC001545967489 1066466894 /nfs/dbraw/zinc/46/68/94/1066466894.db2.gz YSGPGFXKUWOWLZ-OAQYLSRUSA-N 1 0 487.714 4.949 20 0 JJADRO COCCOCc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)ccc1F ZINC001444499125 1066468211 /nfs/dbraw/zinc/46/82/11/1066468211.db2.gz AWMJVICCVXZVAA-UHFFFAOYSA-N 1 0 454.586 4.650 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC001456006184 1066471067 /nfs/dbraw/zinc/47/10/67/1066471067.db2.gz GNUVZBFLPVZRDL-LJQANCHMSA-N 1 0 457.405 4.858 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@@H]3C)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001361164023 1066474076 /nfs/dbraw/zinc/47/40/76/1066474076.db2.gz SXUMOGRPGRKQNK-NRFANRHFSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361164165 1066474757 /nfs/dbraw/zinc/47/47/57/1066474757.db2.gz XKIDCGSJCYHBOW-YTFSRNRJSA-N 1 0 471.715 4.925 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC001444557342 1066475010 /nfs/dbraw/zinc/47/50/10/1066475010.db2.gz RTDUKQNHAPZZOK-QDPGVEIFSA-N 1 0 450.623 4.772 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001444554802 1066475020 /nfs/dbraw/zinc/47/50/20/1066475020.db2.gz PPOTYTYPYAWMSQ-DEOSSOPVSA-N 1 0 457.659 4.784 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361164227 1066475764 /nfs/dbraw/zinc/47/57/64/1066475764.db2.gz ZANUOWOVTLNIAU-IRLDBZIGSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1cccc(-n2ccnc2SCC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC001444562940 1066477267 /nfs/dbraw/zinc/47/72/67/1066477267.db2.gz GELRBNJFUILEIS-XXBNENTESA-N 1 0 454.665 4.842 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C[C@@H]1C ZINC001444614203 1066483596 /nfs/dbraw/zinc/48/35/96/1066483596.db2.gz INYKWMMYXQMONO-QWRGUYRKSA-N 1 0 455.167 4.543 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)o1 ZINC001361171505 1066487150 /nfs/dbraw/zinc/48/71/50/1066487150.db2.gz VMPHCRPFCPHCNV-FGZHOGPDSA-N 1 0 451.615 4.589 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361171517 1066487880 /nfs/dbraw/zinc/48/78/80/1066487880.db2.gz VSRNTKQBICGYLU-JTHBVZDNSA-N 1 0 451.615 4.709 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361175680 1066493337 /nfs/dbraw/zinc/49/33/37/1066493337.db2.gz UQJLWZYXHMKWLN-KSEOMHKRSA-N 1 0 465.642 4.974 20 0 JJADRO CN(C)[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)c1ccc(Cl)cc1 ZINC001361176399 1066494617 /nfs/dbraw/zinc/49/46/17/1066494617.db2.gz MZCMGPUUVJDHCR-DEOSSOPVSA-N 1 0 457.018 4.786 20 0 JJADRO CC(C)Oc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)ccc1Br ZINC001456054970 1066495121 /nfs/dbraw/zinc/49/51/21/1066495121.db2.gz KFSQQHMNMRMXDC-UHFFFAOYSA-N 1 0 455.343 4.719 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001456054390 1066495160 /nfs/dbraw/zinc/49/51/60/1066495160.db2.gz HXTACYCXOKIRBN-LJQANCHMSA-N 1 0 457.043 4.757 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC001361178243 1066498731 /nfs/dbraw/zinc/49/87/31/1066498731.db2.gz JLRJEFJEKSJYJS-IBGZPJMESA-N 1 0 475.996 4.512 20 0 JJADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001361179396 1066500543 /nfs/dbraw/zinc/50/05/43/1066500543.db2.gz VDVLXDQBKULKAW-UHFFFAOYSA-N 1 0 451.320 4.916 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC[N@@H+]2CCCC[C@H]2C)o1 ZINC001361181130 1066502051 /nfs/dbraw/zinc/50/20/51/1066502051.db2.gz DTMNGXYBPWALCR-LJQANCHMSA-N 1 0 451.619 4.661 20 0 JJADRO CCN(CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)CC1)C(=O)OC(C)(C)C ZINC001444767291 1066502801 /nfs/dbraw/zinc/50/28/01/1066502801.db2.gz GQCRMHYZNHVLPK-XMMPIXPASA-N 1 0 457.659 4.845 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC001361181632 1066503692 /nfs/dbraw/zinc/50/36/92/1066503692.db2.gz RDSGOUOTLQWMKT-MRXNPFEDSA-N 1 0 489.487 4.841 20 0 JJADRO CC[C@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H](C)CCSC)[NH+]1CCCC1 ZINC001545969327 1066505105 /nfs/dbraw/zinc/50/51/05/1066505105.db2.gz VYHWABOEUOGRDB-TZIWHRDSSA-N 1 0 452.672 4.946 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC001361183146 1066505172 /nfs/dbraw/zinc/50/51/72/1066505172.db2.gz GQKYIXRCXSFIGP-NQIIRXRSSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2CC(C)(C)C[NH+]2CCCC2)cc1Br ZINC001361183138 1066505194 /nfs/dbraw/zinc/50/51/94/1066505194.db2.gz GDCVHSZODTZKQC-UHFFFAOYSA-N 1 0 487.446 4.762 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361183505 1066506058 /nfs/dbraw/zinc/50/60/58/1066506058.db2.gz LQRGRUQMFIKQJR-NRFANRHFSA-N 1 0 487.446 4.761 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC001361184555 1066507568 /nfs/dbraw/zinc/50/75/68/1066507568.db2.gz NFBDTBROPYXBLN-SFTDATJTSA-N 1 0 451.615 4.839 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1Br ZINC001361184576 1066507595 /nfs/dbraw/zinc/50/75/95/1066507595.db2.gz NQKVQENLEGWSNM-PMACEKPBSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC001361184552 1066507622 /nfs/dbraw/zinc/50/76/22/1066507622.db2.gz NFBDTBROPYXBLN-LEWJYISDSA-N 1 0 451.615 4.839 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001546079443 1066510004 /nfs/dbraw/zinc/51/00/04/1066510004.db2.gz MNWLMNDHLKBDQR-SANMLTNESA-N 1 0 470.731 4.531 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCCCc3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)o1 ZINC001361187006 1066510906 /nfs/dbraw/zinc/51/09/06/1066510906.db2.gz BAPYTXQMHIFTSU-VWLOTQADSA-N 1 0 453.656 4.743 20 0 JJADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC001444854531 1066513454 /nfs/dbraw/zinc/51/34/54/1066513454.db2.gz ZZKMFDKHCAXSMS-ZEQRLZLVSA-N 1 0 451.611 4.856 20 0 JJADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC001444854524 1066513505 /nfs/dbraw/zinc/51/35/05/1066513505.db2.gz ZZKMFDKHCAXSMS-DNQXCXABSA-N 1 0 451.611 4.856 20 0 JJADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC001444857285 1066513797 /nfs/dbraw/zinc/51/37/97/1066513797.db2.gz RGNZHOQVZKTPBP-UHFFFAOYSA-N 1 0 450.410 4.536 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361188779 1066514139 /nfs/dbraw/zinc/51/41/39/1066514139.db2.gz YJDPJWTUDNVLTH-NHCUHLMSSA-N 1 0 450.631 4.540 20 0 JJADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 ZINC001444858246 1066514071 /nfs/dbraw/zinc/51/40/71/1066514071.db2.gz PTEAVGULDPJPGT-KRWDZBQOSA-N 1 0 458.400 4.505 20 0 JJADRO O=C(c1ccc2ccc(O)cc2c1O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868648 1066514703 /nfs/dbraw/zinc/51/47/03/1066514703.db2.gz SOLOBSIODTZWEG-GOSISDBHSA-N 1 0 458.480 4.778 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3F)n2C[C@@H](c2cccs2)[NH+](C)C)o1 ZINC001361190584 1066515643 /nfs/dbraw/zinc/51/56/43/1066515643.db2.gz MAUDVUBIGNKSAQ-IBGZPJMESA-N 1 0 469.586 4.865 20 0 JJADRO C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC001444893541 1066516491 /nfs/dbraw/zinc/51/64/91/1066516491.db2.gz SSVFLUZUNGQJGK-QGZVFWFLSA-N 1 0 453.384 4.576 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001546079818 1066517148 /nfs/dbraw/zinc/51/71/48/1066517148.db2.gz UJQIWVPIHWHMHD-UMTXDNHDSA-N 1 0 488.721 4.797 20 0 JJADRO COc1ccc([C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)c2ccccc2Cl)c(OC)c1 ZINC001444903260 1066517491 /nfs/dbraw/zinc/51/74/91/1066517491.db2.gz PSCZMWJKIPYXMP-RUZDIDTESA-N 1 0 452.982 4.981 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC001444923570 1066518115 /nfs/dbraw/zinc/51/81/15/1066518115.db2.gz JMQOHIBUONGGHQ-UHFFFAOYSA-N 1 0 457.659 4.975 20 0 JJADRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c2ccc(Br)cc2n1 ZINC001444928658 1066518666 /nfs/dbraw/zinc/51/86/66/1066518666.db2.gz XLFHAQKJCGLBSN-UHFFFAOYSA-N 1 0 454.368 4.515 20 0 JJADRO Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)cc1Br ZINC001361191539 1066518772 /nfs/dbraw/zinc/51/87/72/1066518772.db2.gz XHQCSWFRJKVCND-OAQYLSRUSA-N 1 0 492.506 4.734 20 0 JJADRO Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1Br ZINC001361191538 1066518830 /nfs/dbraw/zinc/51/88/30/1066518830.db2.gz XHQCSWFRJKVCND-NRFANRHFSA-N 1 0 492.506 4.734 20 0 JJADRO CC(C)[C@H](CCN(C)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001444935315 1066519178 /nfs/dbraw/zinc/51/91/78/1066519178.db2.gz MXHMDDDSSFMORI-URXFXBBRSA-N 1 0 459.675 4.727 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCC[NH+](C(C)C)C(C)C)o1 ZINC001361198206 1066527028 /nfs/dbraw/zinc/52/70/28/1066527028.db2.gz LKNQYCAQFDPZIF-UHFFFAOYSA-N 1 0 469.552 4.703 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCCCC[NH+]2CCCCC2)o1 ZINC001361198402 1066527337 /nfs/dbraw/zinc/52/73/37/1066527337.db2.gz QLHVHCCUIRVBCR-UHFFFAOYSA-N 1 0 481.563 4.851 20 0 JJADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001456174657 1066529049 /nfs/dbraw/zinc/52/90/49/1066529049.db2.gz XDWAGHJARHQOBJ-UHFFFAOYSA-N 1 0 459.377 4.639 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)o1 ZINC001361200054 1066529425 /nfs/dbraw/zinc/52/94/25/1066529425.db2.gz MEQSQDWVMVNVBP-INIZCTEOSA-N 1 0 453.534 4.990 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(Br)o1)[NH+]1CCCC1 ZINC001545971434 1066530139 /nfs/dbraw/zinc/53/01/39/1066530139.db2.gz XTDXYLJTZOYIHA-KRWDZBQOSA-N 1 0 488.430 4.820 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC001361200460 1066530446 /nfs/dbraw/zinc/53/04/46/1066530446.db2.gz WZIXTIIKCLDRFW-MHECFPHRSA-N 1 0 497.606 4.888 20 0 JJADRO Cc1c(C(=O)Nc2cc(Cl)ccc2SC(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001456181746 1066532067 /nfs/dbraw/zinc/53/20/67/1066532067.db2.gz WKPRCIWRISTDKQ-UHFFFAOYSA-N 1 0 456.015 4.970 20 0 JJADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)cc2)C1 ZINC001445041096 1066531901 /nfs/dbraw/zinc/53/19/01/1066531901.db2.gz BCPWWMHFHNEXIH-KRWDZBQOSA-N 1 0 458.484 4.864 20 0 JJADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)C1 ZINC001445051186 1066533578 /nfs/dbraw/zinc/53/35/78/1066533578.db2.gz SMMSSBZKTNTYPI-KRWDZBQOSA-N 1 0 458.484 4.864 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC001361203968 1066534182 /nfs/dbraw/zinc/53/41/82/1066534182.db2.gz HQEKLTZZBVWYAN-JOCHJYFZSA-N 1 0 451.615 4.708 20 0 JJADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001445057588 1066534809 /nfs/dbraw/zinc/53/48/09/1066534809.db2.gz SYKUTUDRXDJEGA-BEFAXECRSA-N 1 0 458.430 4.844 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2cccc(N(C)C)c2)o1 ZINC001361205692 1066537363 /nfs/dbraw/zinc/53/73/63/1066537363.db2.gz PIMZNXIUCINKKL-UHFFFAOYSA-N 1 0 450.631 4.517 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCSCC(F)(F)F)o1 ZINC001361205850 1066537816 /nfs/dbraw/zinc/53/78/16/1066537816.db2.gz VGKORPPWTIBSSK-UHFFFAOYSA-N 1 0 459.582 4.699 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CC(F)(F)F)cc1Br ZINC001361205769 1066538030 /nfs/dbraw/zinc/53/80/30/1066538030.db2.gz RWYJFCVVFVBCBQ-INIZCTEOSA-N 1 0 486.380 4.891 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 ZINC001445093879 1066539224 /nfs/dbraw/zinc/53/92/24/1066539224.db2.gz VEZWGGATRFVFCY-QFIPXVFZSA-N 1 0 458.002 4.599 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2c(F)cccc2OC(F)F)o1 ZINC001361207377 1066540121 /nfs/dbraw/zinc/54/01/21/1066540121.db2.gz SCTFFUBXVUGGAC-UHFFFAOYSA-N 1 0 463.504 4.602 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCc2cc(Br)ccc2F)o1 ZINC001361207487 1066540528 /nfs/dbraw/zinc/54/05/28/1066540528.db2.gz ULRZZJSFHUWOEO-UHFFFAOYSA-N 1 0 490.421 4.958 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(O)(c4ccccc4Cl)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361208980 1066541844 /nfs/dbraw/zinc/54/18/44/1066541844.db2.gz ITAMSBLLIJJWHG-UHFFFAOYSA-N 1 0 472.033 4.576 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC001361209014 1066541858 /nfs/dbraw/zinc/54/18/58/1066541858.db2.gz JNKNLJIHBOOQCO-FQEVSTJZSA-N 1 0 457.644 4.995 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001361209507 1066542795 /nfs/dbraw/zinc/54/27/95/1066542795.db2.gz ZKRYPFNHWPRAFQ-GOSISDBHSA-N 1 0 497.949 4.696 20 0 JJADRO CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001445170737 1066542821 /nfs/dbraw/zinc/54/28/21/1066542821.db2.gz AMKIVMVGIYCQIN-HSZRJFAPSA-N 1 0 455.643 4.537 20 0 JJADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC001445187947 1066544276 /nfs/dbraw/zinc/54/42/76/1066544276.db2.gz LZJUIMAMQVYZRW-UHFFFAOYSA-N 1 0 451.442 4.743 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361211827 1066546014 /nfs/dbraw/zinc/54/60/14/1066546014.db2.gz BGVIPMYCRDFKHV-WNCULLNHSA-N 1 0 471.690 4.982 20 0 JJADRO CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545973006 1066548864 /nfs/dbraw/zinc/54/88/64/1066548864.db2.gz QSRIZTSNZSVCBI-QFIPXVFZSA-N 1 0 482.648 4.839 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCC3(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC001361214248 1066550196 /nfs/dbraw/zinc/55/01/96/1066550196.db2.gz LIIAJOROBOXNPS-HXUWFJFHSA-N 1 0 490.490 4.632 20 0 JJADRO CC(C)C1CCC([NH+]2CCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)CC2)CC1 ZINC001445266139 1066550258 /nfs/dbraw/zinc/55/02/58/1066550258.db2.gz BSGIOXUPTKWZPA-UHFFFAOYSA-N 1 0 459.432 4.607 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)o1 ZINC001361214665 1066551231 /nfs/dbraw/zinc/55/12/31/1066551231.db2.gz UQHWARAETBAMAN-WOJBJXKFSA-N 1 0 483.579 4.905 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361217094 1066552577 /nfs/dbraw/zinc/55/25/77/1066552577.db2.gz FCCLYZWSYIUKMQ-UHFFFAOYSA-N 1 0 486.661 4.558 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361218940 1066555902 /nfs/dbraw/zinc/55/59/02/1066555902.db2.gz XSFNURAWDKQYCM-FQEVSTJZSA-N 1 0 488.677 4.706 20 0 JJADRO O=C(COCc1cccc(Cl)c1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220364 1066557502 /nfs/dbraw/zinc/55/75/02/1066557502.db2.gz OBICVKOKUJLKIJ-FQEVSTJZSA-N 1 0 454.920 4.770 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)[C@H](C)C1 ZINC001456298161 1066557511 /nfs/dbraw/zinc/55/75/11/1066557511.db2.gz FYBYDWHQPKBXBX-OXQOHEQNSA-N 1 0 454.011 4.554 20 0 JJADRO COc1ccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c(C)c1OC ZINC001361220633 1066557916 /nfs/dbraw/zinc/55/79/16/1066557916.db2.gz XXGWCSJIAXFRLU-IBGZPJMESA-N 1 0 450.501 4.539 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)[C@@H](C)C1 ZINC001456306353 1066560352 /nfs/dbraw/zinc/56/03/52/1066560352.db2.gz ZWHAELOKFOZUGG-RXVVDRJESA-N 1 0 454.640 4.571 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2OCCC2(C)C)cc1Br ZINC001361223925 1066561900 /nfs/dbraw/zinc/56/19/00/1066561900.db2.gz DGRZWEQOPGNANF-OAQYLSRUSA-N 1 0 490.490 4.609 20 0 JJADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1csc(-c2cccc(Cl)c2)n1 ZINC001456323658 1066562757 /nfs/dbraw/zinc/56/27/57/1066562757.db2.gz UVGBCATWPNUYAB-UHFFFAOYSA-N 1 0 454.983 4.541 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2cccc(COCC(F)(F)F)c2)o1 ZINC001361224376 1066562869 /nfs/dbraw/zinc/56/28/69/1066562869.db2.gz SCKJDPMHRLJGBU-UHFFFAOYSA-N 1 0 491.558 4.752 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001361225744 1066564548 /nfs/dbraw/zinc/56/45/48/1066564548.db2.gz LCSBBOQUZIOIJW-OALUTQOASA-N 1 0 469.552 4.687 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)o1 ZINC001361227005 1066565514 /nfs/dbraw/zinc/56/55/14/1066565514.db2.gz DTFCYEXYMRWRQA-QFQXNSOFSA-N 1 0 469.605 4.930 20 0 JJADRO Cc1ccc(-c2nnc(N3CCOC4(CCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1Br ZINC001361229056 1066568000 /nfs/dbraw/zinc/56/80/00/1066568000.db2.gz LTPFURVXKUQBBY-FQEVSTJZSA-N 1 0 490.490 4.752 20 0 JJADRO Cc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CC[NH+]2CCCCCC2)cc1Br ZINC001361230839 1066569875 /nfs/dbraw/zinc/56/98/75/1066569875.db2.gz DHMFISQOGWQPGY-SFHVURJKSA-N 1 0 478.504 4.834 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C(C)C)o1 ZINC001361235368 1066575845 /nfs/dbraw/zinc/57/58/45/1066575845.db2.gz VOFLZOUCFPHCKG-GOSISDBHSA-N 1 0 461.408 4.619 20 0 JJADRO CC1CCC([NH+]2CCN(C(=O)c3ccc(NC(=O)CSc4cccs4)cc3)CC2)CC1 ZINC001456419278 1066581833 /nfs/dbraw/zinc/58/18/33/1066581833.db2.gz PTIFAGPLMKRPGQ-UHFFFAOYSA-N 1 0 457.665 4.815 20 0 JJADRO COc1cc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc(OC)c1OCc1ccccc1 ZINC001456417906 1066581907 /nfs/dbraw/zinc/58/19/07/1066581907.db2.gz KELPWZOIDNBHQE-UHFFFAOYSA-N 1 0 452.595 4.619 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001445525136 1066581960 /nfs/dbraw/zinc/58/19/60/1066581960.db2.gz OYHGPWDFBYOVBC-VXNXHJTFSA-N 1 0 455.643 4.537 20 0 JJADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001445531672 1066583767 /nfs/dbraw/zinc/58/37/67/1066583767.db2.gz YLZRJYYFLKLQJH-LEDOBFOHSA-N 1 0 457.412 4.730 20 0 JJADRO CC(C)n1cc(Br)cc1C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001545976578 1066587268 /nfs/dbraw/zinc/58/72/68/1066587268.db2.gz RZACUAXQDVZNFL-IBGZPJMESA-N 1 0 456.388 4.727 20 0 JJADRO COc1ccc(-c2ncc(C(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)s2)cc1OC ZINC001445563676 1066587757 /nfs/dbraw/zinc/58/77/57/1066587757.db2.gz AFKLKOPSWKRJII-GOSISDBHSA-N 1 0 457.640 4.944 20 0 JJADRO Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCCCC2)o1 ZINC001361246928 1066589542 /nfs/dbraw/zinc/58/95/42/1066589542.db2.gz JAWVNWHMZDLBQO-UHFFFAOYSA-N 1 0 499.059 4.664 20 0 JJADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3SCC(=O)NC3CCCCCCC3)CC[C@H]21 ZINC001445576720 1066589546 /nfs/dbraw/zinc/58/95/46/1066589546.db2.gz WEQZSKDGOQNOGF-NZQKXSOJSA-N 1 0 457.684 4.564 20 0 JJADRO CC(C)(C)OC(=O)Nc1ncc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)s1 ZINC001456473111 1066593518 /nfs/dbraw/zinc/59/35/18/1066593518.db2.gz FSUBQVNLGFRBCY-UHFFFAOYSA-N 1 0 456.612 4.717 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546082752 1066594488 /nfs/dbraw/zinc/59/44/88/1066594488.db2.gz CCNXITCNYVLTGJ-DHTSOJEISA-N 1 0 487.645 4.927 20 0 JJADRO CCCN(C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445639349 1066597357 /nfs/dbraw/zinc/59/73/57/1066597357.db2.gz SSPCBIVABRHKOD-QHCPKHFHSA-N 1 0 457.659 4.579 20 0 JJADRO COc1ccc(C[C@@H](C)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1OC ZINC001361253478 1066601120 /nfs/dbraw/zinc/60/11/20/1066601120.db2.gz WCBBYVSLIWLCIU-BCAKYAHRSA-N 1 0 472.629 4.841 20 0 JJADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCCc2ccccc2Cl)CC1 ZINC001456502165 1066602924 /nfs/dbraw/zinc/60/29/24/1066602924.db2.gz FFKUQMRXHCPBBI-UHFFFAOYSA-N 1 0 453.936 4.750 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC001361257884 1066606333 /nfs/dbraw/zinc/60/63/33/1066606333.db2.gz KOWPNLYSCYLGQV-NRFANRHFSA-N 1 0 453.606 4.914 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)o1 ZINC001361258269 1066607456 /nfs/dbraw/zinc/60/74/56/1066607456.db2.gz QXOHKUNNFGORCZ-HXUWFJFHSA-N 1 0 472.033 4.561 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC2)s1 ZINC001361261091 1066611577 /nfs/dbraw/zinc/61/15/77/1066611577.db2.gz HAORMURYNTTZDV-UHFFFAOYSA-N 1 0 453.656 4.966 20 0 JJADRO O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001456551532 1066622930 /nfs/dbraw/zinc/62/29/30/1066622930.db2.gz BPPMKGQOGVWZRB-DEOSSOPVSA-N 1 0 455.643 4.730 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCCC2)CCO1 ZINC001546083244 1066623711 /nfs/dbraw/zinc/62/37/11/1066623711.db2.gz KZZQQTAWLGGIGB-BKMJKUGQSA-N 1 0 455.647 4.526 20 0 JJADRO CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001546083356 1066627923 /nfs/dbraw/zinc/62/79/23/1066627923.db2.gz MJRVHVSKAGJMTC-RLWLMLJZSA-N 1 0 473.637 4.685 20 0 JJADRO Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC001361273777 1066630219 /nfs/dbraw/zinc/63/02/19/1066630219.db2.gz ZDOKYKUNDKIPKA-UHFFFAOYSA-N 1 0 484.595 4.855 20 0 JJADRO Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001445903400 1066633076 /nfs/dbraw/zinc/63/30/76/1066633076.db2.gz YHGILNGHYLHTPP-UHFFFAOYSA-N 1 0 450.608 4.997 20 0 JJADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cn(-c2ccccc2Cl)nc1-c1ccc(C)cc1 ZINC001446010604 1066645133 /nfs/dbraw/zinc/64/51/33/1066645133.db2.gz ISTYNMYJVXOQDY-FQEVSTJZSA-N 1 0 455.002 4.588 20 0 JJADRO CC[N@H+](C)[C@H](C(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624944 1066648977 /nfs/dbraw/zinc/64/89/77/1066648977.db2.gz WGVFSBDKORFUIF-URXFXBBRSA-N 1 0 457.659 4.955 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)C2CCCCC2)CCO1 ZINC001546083709 1066650207 /nfs/dbraw/zinc/65/02/07/1066650207.db2.gz RRBJXXGTRXSCED-DEOSSOPVSA-N 1 0 490.490 4.977 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)C2CCCCC2)CCO1 ZINC001546083710 1066650345 /nfs/dbraw/zinc/65/03/45/1066650345.db2.gz RRBJXXGTRXSCED-XMMPIXPASA-N 1 0 490.490 4.977 20 0 JJADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 ZINC001446049370 1066652147 /nfs/dbraw/zinc/65/21/47/1066652147.db2.gz RVIIVWTWYOVIQS-UHFFFAOYSA-N 1 0 455.649 4.554 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492600138 1066652469 /nfs/dbraw/zinc/65/24/69/1066652469.db2.gz ISVKIQGCQBZMJU-JIPXPUAJSA-N 1 0 462.642 4.674 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456646921 1066657384 /nfs/dbraw/zinc/65/73/84/1066657384.db2.gz DDCDSRHLQMWFEI-ISJGIBHGSA-N 1 0 463.622 4.560 20 0 JJADRO CC[C@@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001456648147 1066658160 /nfs/dbraw/zinc/65/81/60/1066658160.db2.gz IMFKHLRZMWJMEH-BOCWGRARSA-N 1 0 477.649 4.808 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(C(C)C)n3C[C@@H](C3CCCCC3)[NH+](C)C)CC2)c1 ZINC001492607456 1066666376 /nfs/dbraw/zinc/66/63/76/1066666376.db2.gz QFOUVNROCMNRMJ-QHCPKHFHSA-N 1 0 454.663 4.663 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001492607658 1066667253 /nfs/dbraw/zinc/66/72/53/1066667253.db2.gz CUUYHBOIGHUCKG-UHFFFAOYSA-N 1 0 476.669 4.750 20 0 JJADRO CC1=CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001492608416 1066669087 /nfs/dbraw/zinc/66/90/87/1066669087.db2.gz BTQFZFRVVCQQMY-GOSISDBHSA-N 1 0 469.431 4.713 20 0 JJADRO CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492609751 1066671181 /nfs/dbraw/zinc/67/11/81/1066671181.db2.gz VURINQGJPDSWRM-KDURUIRLSA-N 1 0 489.506 4.959 20 0 JJADRO CC1=CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001492611523 1066674146 /nfs/dbraw/zinc/67/41/46/1066674146.db2.gz DOJZVCWHQHJJDA-UHFFFAOYSA-N 1 0 474.694 4.668 20 0 JJADRO C[N@@H+]1CC[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001446196440 1066674318 /nfs/dbraw/zinc/67/43/18/1066674318.db2.gz SLWNANPPOMGTCV-KNQAVFIVSA-N 1 0 458.603 4.513 20 0 JJADRO CC[N@@H+]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C[C@@H]1C ZINC001446198072 1066674724 /nfs/dbraw/zinc/67/47/24/1066674724.db2.gz UAXQEXRXWYPEQK-SFHVURJKSA-N 1 0 450.608 4.657 20 0 JJADRO CC1=CCCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001492613150 1066674902 /nfs/dbraw/zinc/67/49/02/1066674902.db2.gz IRIZNGNOULYEJT-UHFFFAOYSA-N 1 0 474.447 4.650 20 0 JJADRO Cc1ccc(SCc2nnc(N3CCC=C(C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001492613891 1066677645 /nfs/dbraw/zinc/67/76/45/1066677645.db2.gz MRRGJELQPIDOCU-JOCHJYFZSA-N 1 0 455.672 4.536 20 0 JJADRO CC1=CCCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492614240 1066678390 /nfs/dbraw/zinc/67/83/90/1066678390.db2.gz ZSVGZAGXHDFLMV-OYRHEFFESA-N 1 0 455.622 4.909 20 0 JJADRO CC1=CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001492615220 1066680437 /nfs/dbraw/zinc/68/04/37/1066680437.db2.gz DVIAVQPTNPMTFX-OALUTQOASA-N 1 0 458.448 4.984 20 0 JJADRO CC1=CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492615483 1066681783 /nfs/dbraw/zinc/68/17/83/1066681783.db2.gz OIICUXBIDFGSCH-KDURUIRLSA-N 1 0 488.474 4.752 20 0 JJADRO CC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001492616021 1066683043 /nfs/dbraw/zinc/68/30/43/1066683043.db2.gz HVLLEELBOLUSTG-QZTJIDSGSA-N 1 0 464.441 4.908 20 0 JJADRO CC1=CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001492616274 1066683879 /nfs/dbraw/zinc/68/38/79/1066683879.db2.gz RUFGNPPUPDRRIN-UHFFFAOYSA-N 1 0 462.411 4.878 20 0 JJADRO CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001492620018 1066688586 /nfs/dbraw/zinc/68/85/86/1066688586.db2.gz RVUYRPPNRVSCSL-FQEVSTJZSA-N 1 0 488.474 4.896 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)C2)c1 ZINC001492620484 1066690750 /nfs/dbraw/zinc/69/07/50/1066690750.db2.gz GSSFVEWRPFKZRL-ZEQRLZLVSA-N 1 0 479.673 4.722 20 0 JJADRO Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3Cc3ccccc3C[N@@H+](C)C(C)C)CC2)c1 ZINC001492621660 1066692962 /nfs/dbraw/zinc/69/29/62/1066692962.db2.gz FNDHNYAXTKMWKQ-UHFFFAOYSA-N 1 0 477.701 4.886 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCC[NH+](C(C)C)C(C)C)C2)c1 ZINC001492622391 1066694256 /nfs/dbraw/zinc/69/42/56/1066694256.db2.gz NOMPADSRHBLCFU-XMMPIXPASA-N 1 0 481.664 4.863 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2cc(Cl)ccc2Br)cc1 ZINC001446348587 1066694345 /nfs/dbraw/zinc/69/43/45/1066694345.db2.gz HPOQGYBDMSPUBI-FQEVSTJZSA-N 1 0 451.792 4.607 20 0 JJADRO Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccc(F)cc3)[NH+](C)C)CC2)c1 ZINC001492622577 1066694333 /nfs/dbraw/zinc/69/43/33/1066694333.db2.gz OUVSGHACTGZILV-DEOSSOPVSA-N 1 0 481.664 4.730 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[nH]2)c1 ZINC001456803656 1066694404 /nfs/dbraw/zinc/69/44/04/1066694404.db2.gz VKUVJGOMQNWPQZ-UHFFFAOYSA-N 1 0 454.530 4.651 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)CC1 ZINC001446352944 1066694846 /nfs/dbraw/zinc/69/48/46/1066694846.db2.gz FOHRCBOXLGAMKF-UHFFFAOYSA-N 1 0 451.583 4.607 20 0 JJADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC001456816205 1066700139 /nfs/dbraw/zinc/70/01/39/1066700139.db2.gz FCMFQHIBFUFXHU-PMACEKPBSA-N 1 0 453.974 4.713 20 0 JJADRO CC[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C(C)C)[NH+]1CCCC1 ZINC001545986347 1066707558 /nfs/dbraw/zinc/70/75/58/1066707558.db2.gz DNDIAZHTYSCTTE-SFTDATJTSA-N 1 0 462.683 4.502 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(Cc4ccccn4)n3CCC[NH+](C(C)C)C(C)C)CC2)s1 ZINC001492633909 1066715361 /nfs/dbraw/zinc/71/53/61/1066715361.db2.gz UEOBVRFUMZSDRR-UHFFFAOYSA-N 1 0 481.714 4.922 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(-c4ccc(Cl)cc4F)n3C[C@@H](C)[NH+](C)C)CC2)s1 ZINC001492633941 1066715977 /nfs/dbraw/zinc/71/59/77/1066715977.db2.gz VAYUAEMEEDYKLV-CQSZACIVSA-N 1 0 463.026 4.837 20 0 JJADRO Cc1coc(C)c1Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001492634248 1066716715 /nfs/dbraw/zinc/71/67/15/1066716715.db2.gz HEODFRITIQVQMY-UHFFFAOYSA-N 1 0 472.431 4.744 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001546085656 1066724533 /nfs/dbraw/zinc/72/45/33/1066724533.db2.gz PJJZIHKXBLEXRS-UZUQRXQVSA-N 1 0 494.453 4.584 20 0 JJADRO COc1cc(Br)c(Cl)cc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001456938947 1066726426 /nfs/dbraw/zinc/72/64/26/1066726426.db2.gz MUOHTRKZZUOCMD-MRXNPFEDSA-N 1 0 451.792 4.705 20 0 JJADRO CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001545987769 1066726701 /nfs/dbraw/zinc/72/67/01/1066726701.db2.gz WWOTURCALNJPOY-OAQYLSRUSA-N 1 0 474.694 4.694 20 0 JJADRO Cc1csc([C@@H]2CN(c3nnc(-c4ccccc4C)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)n1 ZINC001492640988 1066733439 /nfs/dbraw/zinc/73/34/39/1066733439.db2.gz IGOQIFLCJHZMJC-IRLDBZIGSA-N 1 0 468.671 4.573 20 0 JJADRO CC(C)(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1csc(-c2ccccc2F)n1 ZINC001446715265 1066733545 /nfs/dbraw/zinc/73/35/45/1066733545.db2.gz QRIAKAQUFVJFNK-UHFFFAOYSA-N 1 0 459.631 4.578 20 0 JJADRO Cc1csc([C@H]2CCCN(c3nnc(-c4ccccc4C)n3CC(C)(C)C[NH+](C)C)C2)n1 ZINC001492641296 1066734450 /nfs/dbraw/zinc/73/44/50/1066734450.db2.gz FAGBYBNRLKJTAU-FQEVSTJZSA-N 1 0 452.672 4.990 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@H](C)[NH+](C)C)C2)n1 ZINC001492643012 1066737828 /nfs/dbraw/zinc/73/78/28/1066737828.db2.gz XJQDGKSESYQUAX-PKOBYXMFSA-N 1 0 459.063 4.621 20 0 JJADRO COC(=O)[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)CC1CCCC1 ZINC001457014312 1066742274 /nfs/dbraw/zinc/74/22/74/1066742274.db2.gz GCQJNFFGMNBXGV-IHTKTJBKSA-N 1 0 462.634 4.562 20 0 JJADRO CCC[C@@H]1CN(C(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001446813984 1066744116 /nfs/dbraw/zinc/74/41/16/1066744116.db2.gz JQCMYLVUXBIQKH-ZXVSTTAWSA-N 1 0 455.643 4.703 20 0 JJADRO CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@@H](C)C1)[NH+]1CCCC1 ZINC001545989834 1066744394 /nfs/dbraw/zinc/74/43/94/1066744394.db2.gz LELDPSQOPUCAQR-FYYLOGMGSA-N 1 0 488.721 4.893 20 0 JJADRO Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001492645472 1066746028 /nfs/dbraw/zinc/74/60/28/1066746028.db2.gz WWQXIGXBYUCCQQ-UHFFFAOYSA-N 1 0 468.671 4.884 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1)C[C@H]1CCCCO1 ZINC001446836238 1066746152 /nfs/dbraw/zinc/74/61/52/1066746152.db2.gz NAVFQESFBWWDNA-QZTJIDSGSA-N 1 0 451.822 4.526 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001446840618 1066746612 /nfs/dbraw/zinc/74/66/12/1066746612.db2.gz WANXPCHISPTKLK-WWNPGLIZSA-N 1 0 459.631 4.565 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2csc(Br)n2)cc1)C[C@H]1CCCCO1 ZINC001446837856 1066746780 /nfs/dbraw/zinc/74/67/80/1066746780.db2.gz PXMFDSZIJNVANW-QGZVFWFLSA-N 1 0 452.418 4.937 20 0 JJADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc3cc(Br)cc(Br)c3o1)CC2 ZINC001446865035 1066750091 /nfs/dbraw/zinc/75/00/91/1066750091.db2.gz CMNBPTSVUVFPIT-UHFFFAOYSA-N 1 0 456.178 4.658 20 0 JJADRO CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+]1CCCC1 ZINC001545990376 1066750405 /nfs/dbraw/zinc/75/04/05/1066750405.db2.gz RRNBEBHLMAFJQH-FUPPJEDESA-N 1 0 488.721 4.892 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001492647497 1066751400 /nfs/dbraw/zinc/75/14/00/1066751400.db2.gz NKDAYAAMEWXQSA-LJQANCHMSA-N 1 0 452.672 4.781 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001492647418 1066751468 /nfs/dbraw/zinc/75/14/68/1066751468.db2.gz LLVSDMYFVAIBJV-FQEVSTJZSA-N 1 0 471.646 4.515 20 0 JJADRO Cc1csc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CC2([NH+](C)C)CCC2)c1 ZINC001492647982 1066752889 /nfs/dbraw/zinc/75/28/89/1066752889.db2.gz DQPGTERLMHFXFS-UHFFFAOYSA-N 1 0 453.656 4.965 20 0 JJADRO Cc1cc(Cl)ccc1O[C@H](C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1)c1ccccc1 ZINC001457081458 1066757228 /nfs/dbraw/zinc/75/72/28/1066757228.db2.gz MDHIKHCGTPHREJ-DEOSSOPVSA-N 1 0 457.014 4.608 20 0 JJADRO Cc1csc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001492649802 1066757534 /nfs/dbraw/zinc/75/75/34/1066757534.db2.gz PHMBDGPYYKCMQA-UHFFFAOYSA-N 1 0 489.487 4.750 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546086948 1066758163 /nfs/dbraw/zinc/75/81/63/1066758163.db2.gz BVTYOAHSWNXCSZ-GTNJKRJXSA-N 1 0 499.700 4.724 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001546086912 1066758270 /nfs/dbraw/zinc/75/82/70/1066758270.db2.gz BDBNEWCUMQEJTM-CLOONOSVSA-N 1 0 476.065 4.733 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001457087710 1066758731 /nfs/dbraw/zinc/75/87/31/1066758731.db2.gz DVRCNPZVARDBBX-MBSDFSHPSA-N 1 0 454.039 4.957 20 0 JJADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC001446979534 1066760948 /nfs/dbraw/zinc/76/09/48/1066760948.db2.gz GTZQSWFBKYRZBM-JOCHJYFZSA-N 1 0 453.631 4.593 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001457103070 1066763057 /nfs/dbraw/zinc/76/30/57/1066763057.db2.gz RNJDZKMDPBYNDH-NMMYMHLASA-N 1 0 451.611 4.913 20 0 JJADRO Cc1nc(C)c(CCn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC001492655164 1066765352 /nfs/dbraw/zinc/76/53/52/1066765352.db2.gz LWRVXJXTFLFMMP-UHFFFAOYSA-N 1 0 488.105 4.868 20 0 JJADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)o1)[NH+]1CCCC1 ZINC001545991779 1066766450 /nfs/dbraw/zinc/76/64/50/1066766450.db2.gz ABSSOPHGAUVFGM-MRXNPFEDSA-N 1 0 452.441 4.733 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCCC2)CCO1 ZINC001546087413 1066767715 /nfs/dbraw/zinc/76/77/15/1066767715.db2.gz LWPIYDHHNRWDPN-QFIPXVFZSA-N 1 0 452.430 4.743 20 0 JJADRO Cc1nc(C)c(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492656841 1066769351 /nfs/dbraw/zinc/76/93/51/1066769351.db2.gz NKTAGKGBGXOXPU-UHFFFAOYSA-N 1 0 473.090 4.759 20 0 JJADRO C[N@H+](CCCO)C1CCN(C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1 ZINC001447052774 1066769624 /nfs/dbraw/zinc/76/96/24/1066769624.db2.gz FHAROVIEMWLPOW-UHFFFAOYSA-N 1 0 456.583 4.783 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546087074 1066770506 /nfs/dbraw/zinc/77/05/06/1066770506.db2.gz FOFQINUYRROHBX-HHHXNRCGSA-N 1 0 453.675 4.980 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001447103024 1066773156 /nfs/dbraw/zinc/77/31/56/1066773156.db2.gz LJQZJJUCOGLUBJ-BMQTXXJKSA-N 1 0 468.013 4.672 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492662133 1066781948 /nfs/dbraw/zinc/78/19/48/1066781948.db2.gz PMCLLRBUVHCITB-AOMKIAJQSA-N 1 0 482.679 4.901 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CC[N@H+](C)C2CCCC2)cs1 ZINC001492662672 1066782799 /nfs/dbraw/zinc/78/27/99/1066782799.db2.gz WUXHIMGZFSMDOD-QGZVFWFLSA-N 1 0 456.635 4.845 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CC(C)(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC001492664861 1066785661 /nfs/dbraw/zinc/78/56/61/1066785661.db2.gz QDEUZKFJMYRAAF-UHFFFAOYSA-N 1 0 452.672 4.760 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccccc3C)n2CCC[NH+]2CCC(C)CC2)cs1 ZINC001492665686 1066787847 /nfs/dbraw/zinc/78/78/47/1066787847.db2.gz RIWQFLKCPFYXTP-UHFFFAOYSA-N 1 0 452.672 4.701 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001492666051 1066789425 /nfs/dbraw/zinc/78/94/25/1066789425.db2.gz FTHXDPGIUPUWHN-QZTJIDSGSA-N 1 0 485.702 4.633 20 0 JJADRO C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001447304912 1066789809 /nfs/dbraw/zinc/78/98/09/1066789809.db2.gz GSUACKMUXNPNPG-RZFJZAQRSA-N 1 0 450.671 4.701 20 0 JJADRO C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001447304904 1066789863 /nfs/dbraw/zinc/78/98/63/1066789863.db2.gz GSUACKMUXNPNPG-RCXJIHSJSA-N 1 0 450.671 4.701 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)o3)n2CCC[NH+]2CCCCC2)cs1 ZINC001492666370 1066790851 /nfs/dbraw/zinc/79/08/51/1066790851.db2.gz RDCPBBXNEKKGOT-UHFFFAOYSA-N 1 0 493.475 4.502 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)c1ccccc1 ZINC001457211802 1066791617 /nfs/dbraw/zinc/79/16/17/1066791617.db2.gz FLAFPWHHRJPHMR-HSZRJFAPSA-N 1 0 456.631 4.561 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC[N@H+]2CCC[C@H](C)C2)cs1 ZINC001492666451 1066791947 /nfs/dbraw/zinc/79/19/47/1066791947.db2.gz UMTFKMLHUVONEO-INIZCTEOSA-N 1 0 477.053 4.795 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CCC[NH+]2CCCC2)cs1 ZINC001492666526 1066791994 /nfs/dbraw/zinc/79/19/94/1066791994.db2.gz XPWXNWVCKDZOIV-UHFFFAOYSA-N 1 0 463.026 4.549 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC2([NH+](C)C)CCCC2)cs1 ZINC001492666502 1066792005 /nfs/dbraw/zinc/79/20/05/1066792005.db2.gz WKGVXRKPMWBIOP-UHFFFAOYSA-N 1 0 478.588 4.562 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)cs1 ZINC001492666448 1066792017 /nfs/dbraw/zinc/79/20/17/1066792017.db2.gz UJMPEECFWKCZPW-QFIPXVFZSA-N 1 0 474.625 4.669 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCc2ccc(Br)cc2C1)[NH+]1CCCC1 ZINC001545994498 1066792082 /nfs/dbraw/zinc/79/20/82/1066792082.db2.gz AMCRSRWLSJEHFK-NRFANRHFSA-N 1 0 460.464 4.676 20 0 JJADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3nc4ccccc4cc3Br)c2)CC1 ZINC001447323165 1066792405 /nfs/dbraw/zinc/79/24/05/1066792405.db2.gz XLQOQFLRFNGJPI-UHFFFAOYSA-N 1 0 453.384 4.780 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001492667012 1066792846 /nfs/dbraw/zinc/79/28/46/1066792846.db2.gz QHXVQGLFOBIVMI-WOJBJXKFSA-N 1 0 496.729 4.552 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001447328558 1066793623 /nfs/dbraw/zinc/79/36/23/1066793623.db2.gz URDQGWKTPXZCPF-JOCHJYFZSA-N 1 0 456.030 4.560 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC001457227639 1066794498 /nfs/dbraw/zinc/79/44/98/1066794498.db2.gz KJDYXRNGLIDKAY-PBHICJAKSA-N 1 0 453.327 4.833 20 0 JJADRO CS[C@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)C[C@H]1[NH+]1CCCC1 ZINC001447358374 1066798111 /nfs/dbraw/zinc/79/81/11/1066798111.db2.gz AEZXLVZWYJLYPP-YADHBBJMSA-N 1 0 455.624 4.839 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2Cc2cccc(C[NH+](C)C)c2)cs1 ZINC001492671382 1066801864 /nfs/dbraw/zinc/80/18/64/1066801864.db2.gz VPHAAOJAFNQNIK-SFHVURJKSA-N 1 0 452.672 4.616 20 0 JJADRO Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)cs1 ZINC001492671635 1066802682 /nfs/dbraw/zinc/80/26/82/1066802682.db2.gz AOQIEDKOWHVMAF-KRWDZBQOSA-N 1 0 482.620 4.845 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492673611 1066806668 /nfs/dbraw/zinc/80/66/68/1066806668.db2.gz XYEXIOGFBAGMKC-ZGXWSNOMSA-N 1 0 458.720 4.873 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001492673617 1066806841 /nfs/dbraw/zinc/80/68/41/1066806841.db2.gz YFIVSTVVCVDEPW-UFYCRDLUSA-N 1 0 458.720 4.874 20 0 JJADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545995676 1066808043 /nfs/dbraw/zinc/80/80/43/1066808043.db2.gz WSSIQOZMFVKECN-KCZVDYSFSA-N 1 0 488.721 4.623 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CC(C)(C)C[NH+]2CCCC2)cs1 ZINC001492673446 1066808519 /nfs/dbraw/zinc/80/85/19/1066808519.db2.gz UCXGMRXGJYEAPL-UHFFFAOYSA-N 1 0 470.609 4.535 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)n2CCCC(C)C)cs1 ZINC001492674426 1066809097 /nfs/dbraw/zinc/80/90/97/1066809097.db2.gz ASOCHSLONJPJHU-HSZRJFAPSA-N 1 0 452.672 4.781 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001492674799 1066809689 /nfs/dbraw/zinc/80/96/89/1066809689.db2.gz IGKTXTBFUBWFID-HXUWFJFHSA-N 1 0 495.455 4.975 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546089522 1066812456 /nfs/dbraw/zinc/81/24/56/1066812456.db2.gz QSCKACYTBSQDPK-YDIMBITNSA-N 1 0 490.490 4.833 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001492677162 1066815825 /nfs/dbraw/zinc/81/58/25/1066815825.db2.gz XLWVBGIUQYOYSL-WMZOPIPTSA-N 1 0 466.646 4.626 20 0 JJADRO CC[C@H]1CN(C(=O)COc2ccc(Cl)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC001447514049 1066817248 /nfs/dbraw/zinc/81/72/48/1066817248.db2.gz VBCRSLFODYPUBB-SFHVURJKSA-N 1 0 451.792 4.604 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H]3C(C)C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492678474 1066818820 /nfs/dbraw/zinc/81/88/20/1066818820.db2.gz YDKMZOCVDBWKCG-XXBNENTESA-N 1 0 452.672 4.779 20 0 JJADRO CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001545997066 1066819008 /nfs/dbraw/zinc/81/90/08/1066819008.db2.gz JEDJSVSIKGKMLM-ZCYQVOJMSA-N 1 0 453.675 4.551 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492679760 1066821835 /nfs/dbraw/zinc/82/18/35/1066821835.db2.gz PCTKJWQOPHUMQQ-GOSISDBHSA-N 1 0 489.089 4.675 20 0 JJADRO CCCc1c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001457396373 1066822013 /nfs/dbraw/zinc/82/20/13/1066822013.db2.gz WLJUYHKBSDPXFT-UHFFFAOYSA-N 1 0 451.590 4.518 20 0 JJADRO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC001447566288 1066822453 /nfs/dbraw/zinc/82/24/53/1066822453.db2.gz YRONBSQSRGNNHV-OAHLLOKOSA-N 1 0 454.562 4.714 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2ccc(Cl)s2)cs1 ZINC001492680843 1066822968 /nfs/dbraw/zinc/82/29/68/1066822968.db2.gz BGAHXTABVPKETD-UHFFFAOYSA-N 1 0 479.119 4.955 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[NH+](CCc4ccccc4)CC3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492680995 1066823621 /nfs/dbraw/zinc/82/36/21/1066823621.db2.gz HXOYDRGDFICHTM-UHFFFAOYSA-N 1 0 492.615 4.587 20 0 JJADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001447580856 1066825556 /nfs/dbraw/zinc/82/55/56/1066825556.db2.gz DSLFHYOOIQJWMD-MQXJPVLKSA-N 1 0 453.007 4.825 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC001492684074 1066827861 /nfs/dbraw/zinc/82/78/61/1066827861.db2.gz QPLRQUGDMGOHRU-NSXLHWASSA-N 1 0 476.760 4.722 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001492684142 1066827954 /nfs/dbraw/zinc/82/79/54/1066827954.db2.gz RYMPHNPYLNONTH-UGKGYDQZSA-N 1 0 476.760 4.866 20 0 JJADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC001447616062 1066828698 /nfs/dbraw/zinc/82/86/98/1066828698.db2.gz NGQXVERMZMJOIZ-UHFFFAOYSA-N 1 0 453.435 4.994 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)[NH+]1CCCC1 ZINC001545997471 1066829669 /nfs/dbraw/zinc/82/96/69/1066829669.db2.gz PGBJPDUHWSMEHJ-ROUUACIJSA-N 1 0 452.068 4.644 20 0 JJADRO C[C@H](CCNC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)[NH+]1CCCCC1 ZINC001447619497 1066829747 /nfs/dbraw/zinc/82/97/47/1066829747.db2.gz KBGXSNFUIPTKHO-HXUWFJFHSA-N 1 0 456.631 4.550 20 0 JJADRO CCc1c(Br)cc(C(=O)NCCCCc2cc[nH+]c(N)c2)cc1Br ZINC001457428369 1066830423 /nfs/dbraw/zinc/83/04/23/1066830423.db2.gz CROUYJIQXTUQLY-UHFFFAOYSA-N 1 0 455.194 4.504 20 0 JJADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CC1 ZINC001447629152 1066831478 /nfs/dbraw/zinc/83/14/78/1066831478.db2.gz STCVZCUWBPFARW-UHFFFAOYSA-N 1 0 451.590 4.776 20 0 JJADRO Cc1nc(CCn2c(-c3ccccc3Cl)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cs1 ZINC001492689167 1066835505 /nfs/dbraw/zinc/83/55/05/1066835505.db2.gz YSBFJOAXXCFRQU-UHFFFAOYSA-N 1 0 459.063 4.917 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3cccn3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)s1 ZINC001492695426 1066842290 /nfs/dbraw/zinc/84/22/90/1066842290.db2.gz BBDAMLZNWVKYKE-SFHVURJKSA-N 1 0 463.655 4.814 20 0 JJADRO CC(=O)NCCCc1ccc(-c2csc(NC(=O)[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)n2)cc1 ZINC001457497053 1066843534 /nfs/dbraw/zinc/84/35/34/1066843534.db2.gz AZVRJBHMWLXCAE-UPVQGACJSA-N 1 0 462.619 4.510 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)[N@H+](C)C2CC2)s1 ZINC001492696226 1066845757 /nfs/dbraw/zinc/84/57/57/1066845757.db2.gz YMLOFDJAGXFZRN-CYBMUJFWSA-N 1 0 493.450 4.731 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001492697901 1066849745 /nfs/dbraw/zinc/84/97/45/1066849745.db2.gz HSLGWLFSGGZRQD-OAQYLSRUSA-N 1 0 470.662 4.777 20 0 JJADRO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001457519058 1066850386 /nfs/dbraw/zinc/85/03/86/1066850386.db2.gz LRVFKUMLRZBOTL-IBGZPJMESA-N 1 0 452.986 4.850 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC001492698409 1066850947 /nfs/dbraw/zinc/85/09/47/1066850947.db2.gz WOADXCFZBGCJBS-ZWKOTPCHSA-N 1 0 456.635 4.530 20 0 JJADRO Cc1ncc(CN(C)c2nnc(CCc3ccccc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC001492698583 1066851442 /nfs/dbraw/zinc/85/14/42/1066851442.db2.gz CKTUETDPDJFCDL-JOCHJYFZSA-N 1 0 452.672 4.585 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)s1 ZINC001492698870 1066853063 /nfs/dbraw/zinc/85/30/63/1066853063.db2.gz OWSSEZHIXBNYIT-OAQYLSRUSA-N 1 0 472.634 4.518 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)s1 ZINC001492699064 1066854114 /nfs/dbraw/zinc/85/41/14/1066854114.db2.gz WNJONBJNUGSFEP-GOSISDBHSA-N 1 0 472.634 4.518 20 0 JJADRO CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)c2C1 ZINC001447794986 1066859690 /nfs/dbraw/zinc/85/96/90/1066859690.db2.gz FYHVLAHUYFVQAR-WOJBJXKFSA-N 1 0 451.655 4.693 20 0 JJADRO CCCc1c(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nnn1-c1cccc(Cl)c1 ZINC001457554417 1066859834 /nfs/dbraw/zinc/85/98/34/1066859834.db2.gz ZBPLQCSVKKKLGO-QFIPXVFZSA-N 1 0 452.002 4.610 20 0 JJADRO Cc1cc(Cc2cnc(NC(=O)[C@H]3CCN(c4cc[nH+]cc4)C3)s2)ccc1Br ZINC001457555659 1066860590 /nfs/dbraw/zinc/86/05/90/1066860590.db2.gz LBMNEZLJMCZIOF-INIZCTEOSA-N 1 0 457.397 4.665 20 0 JJADRO Cc1ccc(OCCC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(Br)c1 ZINC001457564617 1066863520 /nfs/dbraw/zinc/86/35/20/1066863520.db2.gz KIUUIECQWBRPHM-HROJSSOGSA-N 1 0 459.428 4.799 20 0 JJADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)[NH+](C)C ZINC001447811361 1066864342 /nfs/dbraw/zinc/86/43/42/1066864342.db2.gz BQNLDLAROPWZJO-YADARESESA-N 1 0 451.611 4.709 20 0 JJADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)[NH+](C)C ZINC001447812300 1066864932 /nfs/dbraw/zinc/86/49/32/1066864932.db2.gz DGACETAHZYQCIE-HRAATJIYSA-N 1 0 457.500 4.969 20 0 JJADRO CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001447826857 1066866518 /nfs/dbraw/zinc/86/65/18/1066866518.db2.gz FAQXPUOWGYZRER-YADHBBJMSA-N 1 0 464.050 4.625 20 0 JJADRO Cc1nccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001492706005 1066866813 /nfs/dbraw/zinc/86/68/13/1066866813.db2.gz ZGNDXTWMDNDDCK-UHFFFAOYSA-N 1 0 474.028 4.501 20 0 JJADRO Cc1nccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001492708828 1066873049 /nfs/dbraw/zinc/87/30/49/1066873049.db2.gz NAIPNFZDFYGPOW-UHFFFAOYSA-N 1 0 493.700 4.528 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC001457610710 1066878049 /nfs/dbraw/zinc/87/80/49/1066878049.db2.gz GZRXEUAIPHZLQG-OAHLLOKOSA-N 1 0 457.409 4.788 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1sc(NC(=O)OC(C)(C)C)nc1C ZINC001457613079 1066878586 /nfs/dbraw/zinc/87/85/86/1066878586.db2.gz OSEIKNLLAUQQCM-UHFFFAOYSA-N 1 0 452.646 4.844 20 0 JJADRO CCO[C@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C)C1CCOCC1 ZINC001457615088 1066879838 /nfs/dbraw/zinc/87/98/38/1066879838.db2.gz XCCHJMRGLCQFTI-YADHBBJMSA-N 1 0 459.458 4.740 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001492716851 1066882563 /nfs/dbraw/zinc/88/25/63/1066882563.db2.gz ABWGGMUGFZEZCP-UHFFFAOYSA-N 1 0 470.065 4.707 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492717159 1066883673 /nfs/dbraw/zinc/88/36/73/1066883673.db2.gz LKPMEBGTAOWUOM-JOCHJYFZSA-N 1 0 484.073 4.950 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001492717339 1066884349 /nfs/dbraw/zinc/88/43/49/1066884349.db2.gz RMASFMSNYRZWPZ-QGZVFWFLSA-N 1 0 488.055 4.989 20 0 JJADRO CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001546001866 1066886952 /nfs/dbraw/zinc/88/69/52/1066886952.db2.gz VHWFKHXMGVYQHX-AUSIDOKSSA-N 1 0 452.672 4.748 20 0 JJADRO Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)n(C)n1 ZINC001492724409 1066895472 /nfs/dbraw/zinc/89/54/72/1066895472.db2.gz CRPMTDHYIRSVRR-UHFFFAOYSA-N 1 0 490.483 4.899 20 0 JJADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448072947 1066896919 /nfs/dbraw/zinc/89/69/19/1066896919.db2.gz ZUZAREYGLQYHFY-FZKQIMNGSA-N 1 0 459.306 4.654 20 0 JJADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001448126008 1066902396 /nfs/dbraw/zinc/90/23/96/1066902396.db2.gz SYQZULJSRMSQRC-RBZQAINGSA-N 1 0 457.659 4.542 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001492731715 1066902809 /nfs/dbraw/zinc/90/28/09/1066902809.db2.gz DDXCVLMQICWHRF-NRFANRHFSA-N 1 0 467.637 4.741 20 0 JJADRO COc1cc(/C=C(\C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c2ccccc2)ccc1O ZINC001448128599 1066902999 /nfs/dbraw/zinc/90/29/99/1066902999.db2.gz UYWUFWORCOJART-XCGQMGKMSA-N 1 0 456.586 4.968 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128286 1066903202 /nfs/dbraw/zinc/90/32/02/1066903202.db2.gz XHVNUZOKQWBZIU-QTJGBDASSA-N 1 0 459.675 4.933 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)C2)n1 ZINC001492731791 1066903370 /nfs/dbraw/zinc/90/33/70/1066903370.db2.gz XDGMNIRGHRBCHZ-YADHBBJMSA-N 1 0 469.703 4.886 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001492732400 1066905185 /nfs/dbraw/zinc/90/51/85/1066905185.db2.gz OGRZDWQEBZEWHQ-XXBNENTESA-N 1 0 481.645 4.841 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492732700 1066906196 /nfs/dbraw/zinc/90/61/96/1066906196.db2.gz UCARDJSCNGCODY-HXUWFJFHSA-N 1 0 485.627 4.880 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492733518 1066907014 /nfs/dbraw/zinc/90/70/14/1066907014.db2.gz MBLHICPZEISIGA-DJSMFCCRSA-N 1 0 455.695 4.809 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492733929 1066907886 /nfs/dbraw/zinc/90/78/86/1066907886.db2.gz WUVFPDQZDSHSJG-XUZZJYLKSA-N 1 0 455.695 4.667 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492735920 1066909826 /nfs/dbraw/zinc/90/98/26/1066909826.db2.gz OKXGDAIWSCJWOH-NRFANRHFSA-N 1 0 467.637 4.570 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cc3ccccc3nc2C)cc1Cl ZINC001457753566 1066912339 /nfs/dbraw/zinc/91/23/39/1066912339.db2.gz STFLEDOETFXTCC-UHFFFAOYSA-N 1 0 452.986 4.911 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492740101 1066915000 /nfs/dbraw/zinc/91/50/00/1066915000.db2.gz IQHAHQWCJHNSSQ-PMOQBDJRSA-N 1 0 455.695 4.665 20 0 JJADRO CC[C@H](Cn1c(CC2CC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001546004292 1066916184 /nfs/dbraw/zinc/91/61/84/1066916184.db2.gz ZOTPCJJKHADBNH-HSZRJFAPSA-N 1 0 496.700 4.635 20 0 JJADRO O=C(NCCOc1ncc(Cl)cc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001457779549 1066917793 /nfs/dbraw/zinc/91/77/93/1066917793.db2.gz CNULWPUJAINGOT-LEWJYISDSA-N 1 0 462.421 4.822 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492744270 1066919860 /nfs/dbraw/zinc/91/98/60/1066919860.db2.gz LDSNDEIIZVUYPM-VSKRKVRLSA-N 1 0 469.722 4.770 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492745879 1066921780 /nfs/dbraw/zinc/92/17/80/1066921780.db2.gz ZZPFGMMBFMMDMG-KOSHJBKYSA-N 1 0 495.638 4.819 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001492745880 1066921805 /nfs/dbraw/zinc/92/18/05/1066921805.db2.gz ZZPFGMMBFMMDMG-MHECFPHRSA-N 1 0 495.638 4.819 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3c3ccccc3C)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001492751152 1066926020 /nfs/dbraw/zinc/92/60/20/1066926020.db2.gz SFLKPTKOKLWOQP-ZCYQVOJMSA-N 1 0 463.674 4.766 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[N@H+](Cc4ccccc4)C[C@@H]3C)n2CC(C)(C)C(C)C)n1 ZINC001492753009 1066926361 /nfs/dbraw/zinc/92/63/61/1066926361.db2.gz IROQUHIOKHXFQC-QHCPKHFHSA-N 1 0 463.674 4.533 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492754172 1066926836 /nfs/dbraw/zinc/92/68/36/1066926836.db2.gz SCXKMNDLPZQZSM-CJYOKPGZSA-N 1 0 499.748 4.538 20 0 JJADRO CCCc1c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cnn1-c1cc(F)c(OC)cc1F ZINC001457826578 1066928966 /nfs/dbraw/zinc/92/89/66/1066928966.db2.gz SVWFGLFUUWVIRO-OAQYLSRUSA-N 1 0 454.521 4.913 20 0 JJADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001457825800 1066928989 /nfs/dbraw/zinc/92/89/89/1066928989.db2.gz PPTXMRLLJQRHLL-YMPZKCBVSA-N 1 0 461.622 4.547 20 0 JJADRO Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001448465236 1066930415 /nfs/dbraw/zinc/93/04/15/1066930415.db2.gz LORWCKCBNHSEKQ-ZJSXRUAMSA-N 1 0 451.517 4.568 20 0 JJADRO Cc1nnc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492768158 1066942007 /nfs/dbraw/zinc/94/20/07/1066942007.db2.gz OWRUUPHLOMKMET-UHFFFAOYSA-N 1 0 480.469 4.575 20 0 JJADRO Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492775507 1066946055 /nfs/dbraw/zinc/94/60/55/1066946055.db2.gz BHGLLALXVZPDTR-OXJNMPFZSA-N 1 0 452.416 4.618 20 0 JJADRO Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492775508 1066946207 /nfs/dbraw/zinc/94/62/07/1066946207.db2.gz BHGLLALXVZPDTR-OXQOHEQNSA-N 1 0 452.416 4.618 20 0 JJADRO Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCc1ccc(Br)s1 ZINC001492776498 1066946581 /nfs/dbraw/zinc/94/65/81/1066946581.db2.gz AQFLPMYDIHLXRI-IBGZPJMESA-N 1 0 474.472 4.754 20 0 JJADRO Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492777471 1066946980 /nfs/dbraw/zinc/94/69/80/1066946980.db2.gz XAGRYBMMXQWGMY-NRFANRHFSA-N 1 0 452.672 4.684 20 0 JJADRO Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492783477 1066948552 /nfs/dbraw/zinc/94/85/52/1066948552.db2.gz FASJQYHXMAXWKN-WIHVIGOGSA-N 1 0 453.675 4.947 20 0 JJADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001448687349 1066951281 /nfs/dbraw/zinc/95/12/81/1066951281.db2.gz PMGMHNALMSPHCE-NRFANRHFSA-N 1 0 458.647 4.583 20 0 JJADRO Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001492798571 1066951780 /nfs/dbraw/zinc/95/17/80/1066951780.db2.gz IIGNYPIZTXDPAZ-OAHLLOKOSA-N 1 0 465.442 4.728 20 0 JJADRO Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492815042 1066954347 /nfs/dbraw/zinc/95/43/47/1066954347.db2.gz JGAVXODLPFQPBJ-UHFFFAOYSA-N 1 0 461.601 4.671 20 0 JJADRO Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCc1cc(Br)ccc1F ZINC001492846315 1066957087 /nfs/dbraw/zinc/95/70/87/1066957087.db2.gz FLDKQKAKMKKBHP-IBGZPJMESA-N 1 0 478.454 4.823 20 0 JJADRO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001448777132 1066957176 /nfs/dbraw/zinc/95/71/76/1066957176.db2.gz UOQPWMLWNLZFMN-LJQANCHMSA-N 1 0 451.954 4.746 20 0 JJADRO O=C(CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1)NCC[N@H+]1CC=CCC1 ZINC001448790403 1066958137 /nfs/dbraw/zinc/95/81/37/1066958137.db2.gz WTWHBNMRCQUADW-UHFFFAOYSA-N 1 0 452.396 4.908 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC001458040020 1066959531 /nfs/dbraw/zinc/95/95/31/1066959531.db2.gz DCHAMCFBWFADKT-AOYPEHQESA-N 1 0 477.649 4.989 20 0 JJADRO CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001546009905 1066960684 /nfs/dbraw/zinc/96/06/84/1066960684.db2.gz BGCZRMYHQBWTET-VQTJNVASSA-N 1 0 465.564 4.819 20 0 JJADRO CC[NH+](CC)[C@@H](CNc1ncnc2cc(I)sc21)c1ccccc1 ZINC001458047297 1066960897 /nfs/dbraw/zinc/96/08/97/1066960897.db2.gz OHYDOAKCJIJGDC-HNNXBMFYSA-N 1 0 452.365 4.791 20 0 JJADRO Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001492944938 1066961378 /nfs/dbraw/zinc/96/13/78/1066961378.db2.gz VFTJVXYRPMUYLK-OALUTQOASA-N 1 0 466.438 4.836 20 0 JJADRO Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001492948989 1066961827 /nfs/dbraw/zinc/96/18/27/1066961827.db2.gz OMOPHYDZLYNLKN-QFIPXVFZSA-N 1 0 476.463 4.582 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cccc(C)c2C(F)(F)F)ccc1Cl ZINC001458067179 1066965699 /nfs/dbraw/zinc/96/56/99/1066965699.db2.gz JKFNLHLTXLSIPB-UHFFFAOYSA-N 1 0 455.908 4.991 20 0 JJADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC001448903415 1066968557 /nfs/dbraw/zinc/96/85/57/1066968557.db2.gz XZCZGBVGQMRYRP-QHCPKHFHSA-N 1 0 456.428 4.764 20 0 JJADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(COc2cccc(F)c2)c1 ZINC001448917814 1066969643 /nfs/dbraw/zinc/96/96/43/1066969643.db2.gz CQAVHRSLIHSGCM-UHFFFAOYSA-N 1 0 450.476 4.940 20 0 JJADRO Cc1cccc(COc2cccc(CC(=O)Nc3cccc(C[NH+]4CCC(CO)CC4)c3)c2)c1 ZINC001545713894 1066970581 /nfs/dbraw/zinc/97/05/81/1066970581.db2.gz CSBJZNHYCAGGTI-UHFFFAOYSA-N 1 0 458.602 4.960 20 0 JJADRO CC[C@@H](c1nnc(N(C)[C@H](C)c2ccco2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545717876 1066972363 /nfs/dbraw/zinc/97/23/63/1066972363.db2.gz SXJFTCSWPPAHFX-GMKZXUHWSA-N 1 0 465.642 4.967 20 0 JJADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC001458094460 1066973240 /nfs/dbraw/zinc/97/32/40/1066973240.db2.gz OZISWVMLFNJTFS-LJQANCHMSA-N 1 0 456.949 4.839 20 0 JJADRO CC[C@@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545719644 1066973666 /nfs/dbraw/zinc/97/36/66/1066973666.db2.gz KDILCDCSPCMSIT-WPFOTENUSA-N 1 0 496.744 4.927 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)cc1OC ZINC001458099040 1066974881 /nfs/dbraw/zinc/97/48/81/1066974881.db2.gz STXSZSCFAFBOSH-DHIUTWEWSA-N 1 0 451.611 4.679 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2c(C)noc2C)n1C[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545721543 1066975771 /nfs/dbraw/zinc/97/57/71/1066975771.db2.gz BTRCLACRDWKHKQ-PKTZIBPZSA-N 1 0 450.631 4.936 20 0 JJADRO CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546010968 1066976907 /nfs/dbraw/zinc/97/69/07/1066976907.db2.gz VVQKZBXHNCLUJC-VWNXMTODSA-N 1 0 469.674 4.824 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545722100 1066977218 /nfs/dbraw/zinc/97/72/18/1066977218.db2.gz NTFYZWQDOMDCJT-WIOPSUGQSA-N 1 0 463.674 4.793 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545722656 1066978582 /nfs/dbraw/zinc/97/85/82/1066978582.db2.gz YKGQZWAWDHHDSI-YKSBVNFPSA-N 1 0 463.674 4.539 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2cnn(C)c2C)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545722693 1066978826 /nfs/dbraw/zinc/97/88/26/1066978826.db2.gz YXWNHUDPGVCYKE-DEOSSOPVSA-N 1 0 463.674 4.620 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545723520 1066979217 /nfs/dbraw/zinc/97/92/17/1066979217.db2.gz ARFPXVKAPHQQGR-GPXOXTDOSA-N 1 0 453.675 4.803 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccccc3OCc3ccccc3Cl)CC2)CC1 ZINC001458112822 1066979468 /nfs/dbraw/zinc/97/94/68/1066979468.db2.gz VTYPOVGKTPSONP-UHFFFAOYSA-N 1 0 456.030 4.550 20 0 JJADRO CC[C@@H](c1nnc(N(C)CC2CCC2)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545723706 1066979532 /nfs/dbraw/zinc/97/95/32/1066979532.db2.gz DLTDMEFXYHSYTO-XMMPIXPASA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](c1nnc(N(C)C[C@@H]2CCCOC2)n1CCC1CC[NH+](CC)CC1)c1ccccc1 ZINC001545723726 1066979589 /nfs/dbraw/zinc/97/95/89/1066979589.db2.gz DYKXKOVCRNTXIJ-ZCYQVOJMSA-N 1 0 453.675 4.805 20 0 JJADRO C[NH+](C)C[C@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(C(C)(C)C)cc1)CC2 ZINC001449062406 1066980813 /nfs/dbraw/zinc/98/08/13/1066980813.db2.gz OINATOMVCCQRLW-QMZMWQIVSA-N 1 0 457.618 4.671 20 0 JJADRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)cc1 ZINC001458119181 1066980998 /nfs/dbraw/zinc/98/09/98/1066980998.db2.gz PMWPNIZQTLHUOV-UHFFFAOYSA-N 1 0 455.562 4.650 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2ccsc2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001545724661 1066981517 /nfs/dbraw/zinc/98/15/17/1066981517.db2.gz VEJQKIUFKGJKPM-XUZZJYLKSA-N 1 0 466.699 4.544 20 0 JJADRO Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001458125293 1066983171 /nfs/dbraw/zinc/98/31/71/1066983171.db2.gz OUEVUKZNTXNYPC-SFHVURJKSA-N 1 0 459.377 4.963 20 0 JJADRO CC[C@H](c1nnc(N(C)C[C@H]2CCCO2)n1C[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC001545726485 1066983240 /nfs/dbraw/zinc/98/32/40/1066983240.db2.gz QUUXWBLSODFVOU-VJBWXMMDSA-N 1 0 453.656 4.800 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@H]2CCCO2)n1C[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC001545726487 1066983335 /nfs/dbraw/zinc/98/33/35/1066983335.db2.gz QUUXWBLSODFVOU-ZLNRFVROSA-N 1 0 453.656 4.800 20 0 JJADRO CC[NH+](CC)[C@H](CNc1ccc2c(c1)S(=O)(=O)N=C2Cl)c1ccc(C(F)(F)F)cc1 ZINC001458129943 1066984216 /nfs/dbraw/zinc/98/42/16/1066984216.db2.gz HPYCREMAFYMFMO-QGZVFWFLSA-N 1 0 459.921 4.888 20 0 JJADRO C[NH+](C)C[C@@H](CNC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 ZINC001449167444 1066986560 /nfs/dbraw/zinc/98/65/60/1066986560.db2.gz UPPLZDDVLKWFSD-LJQANCHMSA-N 1 0 458.002 4.666 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001449175419 1066987398 /nfs/dbraw/zinc/98/73/98/1066987398.db2.gz OUPMJWLGPNZMKB-XZOQPEGZSA-N 1 0 455.643 4.585 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CSCc3coc(-c4ccccc4)n3)C2)s1 ZINC001449179388 1066987893 /nfs/dbraw/zinc/98/78/93/1066987893.db2.gz WMTUNERECHIKTI-LJQANCHMSA-N 1 0 455.649 4.925 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001449176929 1066987946 /nfs/dbraw/zinc/98/79/46/1066987946.db2.gz QHYIOVGPFWDZIN-QKNQBKEWSA-N 1 0 451.677 4.522 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)C2)s1 ZINC001449179766 1066988056 /nfs/dbraw/zinc/98/80/56/1066988056.db2.gz YHUORMIRMHIOTO-QGZVFWFLSA-N 1 0 459.015 4.673 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730568 1066988394 /nfs/dbraw/zinc/98/83/94/1066988394.db2.gz BQIXXGSWKNPKGO-NNMXDRDESA-N 1 0 484.595 4.784 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCc3ccccc3)n2CCCC[NH+]2CCC(C)CC2)CCO1 ZINC001546097507 1066988454 /nfs/dbraw/zinc/98/84/54/1066988454.db2.gz LRPXCULVCCRMOF-HHHXNRCGSA-N 1 0 453.675 4.581 20 0 JJADRO CCOC(=O)c1sc2nc(C)nc(N3CCC[N@H+](CCCc4ccccc4)CC3)c2c1C ZINC001458153590 1066989538 /nfs/dbraw/zinc/98/95/38/1066989538.db2.gz UXUUTDQISLUMJF-UHFFFAOYSA-N 1 0 452.624 4.630 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545731898 1066992104 /nfs/dbraw/zinc/99/21/04/1066992104.db2.gz UUSWAGQKGGTGGE-KYPHJKQUSA-N 1 0 480.745 4.966 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001546097673 1066994635 /nfs/dbraw/zinc/99/46/35/1066994635.db2.gz NWYRZPLSCGIERF-HHHXNRCGSA-N 1 0 453.675 4.723 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545733624 1066995758 /nfs/dbraw/zinc/99/57/58/1066995758.db2.gz FHVKMZGHJUOHQT-MVERNJQCSA-N 1 0 494.728 4.541 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545733794 1066995868 /nfs/dbraw/zinc/99/58/68/1066995868.db2.gz IEWBASRCDISQCA-BJKOFHAPSA-N 1 0 453.675 4.538 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](C(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545733796 1066995885 /nfs/dbraw/zinc/99/58/85/1066995885.db2.gz IEWBASRCDISQCA-RPWUZVMVSA-N 1 0 453.675 4.538 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1CCC1CC[NH+](CC)CC1)c1ccccc1 ZINC001545735813 1066998803 /nfs/dbraw/zinc/99/88/03/1066998803.db2.gz HGJDGZAWKIRPBS-SDUSCBPUSA-N 1 0 453.675 4.803 20 0 JJADRO CCCCCCn1nc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c2ccccc2c1=O ZINC001458193131 1067001247 /nfs/dbraw/zinc/00/12/47/1067001247.db2.gz CTRYPXNJPQWXTG-UHFFFAOYSA-N 1 0 452.643 4.750 20 0 JJADRO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001449355578 1067002817 /nfs/dbraw/zinc/00/28/17/1067002817.db2.gz LUPAMRRWNZMAJC-QGZVFWFLSA-N 1 0 459.434 4.990 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H]1CCCOC1)c1ccccc1 ZINC001545739243 1067004730 /nfs/dbraw/zinc/00/47/30/1067004730.db2.gz WKSAZJNCPQRZIK-ILBGXUMGSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC(=O)NC1CCCCC1)c1ccccc1 ZINC001545739375 1067005072 /nfs/dbraw/zinc/00/50/72/1067005072.db2.gz YYSKPMCJJBPYQN-AREMUKBSSA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](OC)C(C)C)c1ccccc1 ZINC001545740601 1067005421 /nfs/dbraw/zinc/00/54/21/1067005421.db2.gz ANMJEIUMYTWTBR-DQEYMECFSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545740695 1067005631 /nfs/dbraw/zinc/00/56/31/1067005631.db2.gz BZFPKUZSMVDBMW-RUZDIDTESA-N 1 0 480.701 4.532 20 0 JJADRO CC[C@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545740640 1067005928 /nfs/dbraw/zinc/00/59/28/1067005928.db2.gz BBBPJPKMBWSHRV-YKSBVNFPSA-N 1 0 496.700 4.796 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(F)(F)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545741793 1067008416 /nfs/dbraw/zinc/00/84/16/1067008416.db2.gz WQKXAXMXDZDAMM-IRFCIJBXSA-N 1 0 461.601 4.553 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545743331 1067009842 /nfs/dbraw/zinc/00/98/42/1067009842.db2.gz HVSMSXXCHIXVCW-OAQYLSRUSA-N 1 0 493.618 4.836 20 0 JJADRO COc1ccc(CCCCC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001458242605 1067010332 /nfs/dbraw/zinc/01/03/32/1067010332.db2.gz GMHVHJXCWRVQBH-ISJGIBHGSA-N 1 0 450.623 4.834 20 0 JJADRO CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1ccon1)[NH+]1CCCC1 ZINC001546014899 1067012267 /nfs/dbraw/zinc/01/22/67/1067012267.db2.gz PZIZWBGMFYBING-IBGZPJMESA-N 1 0 461.035 4.723 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545745909 1067013124 /nfs/dbraw/zinc/01/31/24/1067013124.db2.gz ICTHKXLLYGLKKR-BXTSTYNKSA-N 1 0 483.701 4.572 20 0 JJADRO CC[C@H](c1nnc(N2CCC=C(Br)C2)n1CC[N@H+](CC)C1CC1)c1ccccc1 ZINC001545745965 1067013652 /nfs/dbraw/zinc/01/36/52/1067013652.db2.gz IPQXONULJURULJ-NRFANRHFSA-N 1 0 458.448 4.793 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)O)c1ccccc1 ZINC001545746276 1067013769 /nfs/dbraw/zinc/01/37/69/1067013769.db2.gz MJOOZNAHHRQOLY-VWNXMTODSA-N 1 0 453.675 4.683 20 0 JJADRO CC[C@H](Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1)[NH+]1CCCC1 ZINC001546015414 1067014359 /nfs/dbraw/zinc/01/43/59/1067014359.db2.gz ZQLMYAQYQIOYRQ-RLWLMLJZSA-N 1 0 487.714 4.849 20 0 JJADRO C[C@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001449555014 1067014739 /nfs/dbraw/zinc/01/47/39/1067014739.db2.gz IDOOZCVIPNGEQC-OAHLLOKOSA-N 1 0 451.995 4.540 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC001449564006 1067014817 /nfs/dbraw/zinc/01/48/17/1067014817.db2.gz QNZSQJLTKICYIT-QHCPKHFHSA-N 1 0 450.048 4.628 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccccc1 ZINC001449574004 1067015277 /nfs/dbraw/zinc/01/52/77/1067015277.db2.gz CJMBRMHJYAFRNG-DHIUTWEWSA-N 1 0 457.659 4.954 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545748485 1067017185 /nfs/dbraw/zinc/01/71/85/1067017185.db2.gz BDQCBYBJPITTPC-GVAUOCQISA-N 1 0 494.728 4.681 20 0 JJADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCC(=O)c1ccccc1 ZINC001449611568 1067017985 /nfs/dbraw/zinc/01/79/85/1067017985.db2.gz XEUUPJJYTHFGGM-KRWDZBQOSA-N 1 0 458.400 4.581 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001545748828 1067018542 /nfs/dbraw/zinc/01/85/42/1067018542.db2.gz GGWHXZULCRNXGS-WXFUMESZSA-N 1 0 496.700 4.654 20 0 JJADRO Cc1cc(Cl)ccc1O[C@@H](C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC001449663115 1067019353 /nfs/dbraw/zinc/01/93/53/1067019353.db2.gz TVQAPSNRSDOURP-RUZDIDTESA-N 1 0 457.014 4.729 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545749339 1067019604 /nfs/dbraw/zinc/01/96/04/1067019604.db2.gz MZHRYJBXIPJRQH-BJKOFHAPSA-N 1 0 498.716 4.996 20 0 JJADRO CCSCc1ccc(NC(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001449732468 1067023656 /nfs/dbraw/zinc/02/36/56/1067023656.db2.gz NEFHRFJLJWDGPI-JOCHJYFZSA-N 1 0 457.640 4.904 20 0 JJADRO CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@@H+]1CCCC[C@H]1CC)c1ccccc1 ZINC001545751628 1067024522 /nfs/dbraw/zinc/02/45/22/1067024522.db2.gz JDVCETDRQKGMLC-FTJBHMTQSA-N 1 0 494.728 4.779 20 0 JJADRO CC[C@@H](c1nnc(N2CCCCCCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001545751708 1067025182 /nfs/dbraw/zinc/02/51/82/1067025182.db2.gz KEYGWIYMXXFZJX-JWQCQUIFSA-N 1 0 453.675 4.827 20 0 JJADRO C[C@@H](Nc1nc(C(F)(F)F)ccc1I)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001458309257 1067026371 /nfs/dbraw/zinc/02/63/71/1067026371.db2.gz IJEIQCIYNJTWNU-VXGBXAGGSA-N 1 0 453.290 4.770 20 0 JJADRO C[C@@H](Nc1nc(C(F)(F)F)ccc1I)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001458309249 1067026449 /nfs/dbraw/zinc/02/64/49/1067026449.db2.gz IJEIQCIYNJTWNU-NEPJUHHUSA-N 1 0 453.290 4.770 20 0 JJADRO C[C@H](Nc1nc(C(F)(F)F)ccc1I)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001458309252 1067026548 /nfs/dbraw/zinc/02/65/48/1067026548.db2.gz IJEIQCIYNJTWNU-NWDGAFQWSA-N 1 0 453.290 4.770 20 0 JJADRO CC[C@H](Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1-c1cccn1C)[NH+]1CCCC1 ZINC001546017283 1067026634 /nfs/dbraw/zinc/02/66/34/1067026634.db2.gz RQCYDYHJUMCZEA-PWHSHALESA-N 1 0 471.049 5.000 20 0 JJADRO CC[C@H](Cn1c(N[C@@H](C)[C@@H](OC)c2ccccc2Cl)nnc1-c1cccn1C)[NH+]1CCCC1 ZINC001546017284 1067026894 /nfs/dbraw/zinc/02/68/94/1067026894.db2.gz RQCYDYHJUMCZEA-YCRNBWNJSA-N 1 0 471.049 5.000 20 0 JJADRO CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545752549 1067028860 /nfs/dbraw/zinc/02/88/60/1067028860.db2.gz ZAKBIAORTOLDEM-AZGAKELHSA-N 1 0 494.728 4.635 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545753938 1067029770 /nfs/dbraw/zinc/02/97/70/1067029770.db2.gz BDMPJSSRLGPYBB-IFMALSPDSA-N 1 0 479.591 4.711 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756482 1067034082 /nfs/dbraw/zinc/03/40/82/1067034082.db2.gz IPRFAQNZFMVXPP-ZJSXRUAMSA-N 1 0 496.700 4.655 20 0 JJADRO Cn1c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001449886191 1067034337 /nfs/dbraw/zinc/03/43/37/1067034337.db2.gz AUJSIQFRBAMIPY-NRFANRHFSA-N 1 0 458.647 4.578 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@@H](F)COC)c1ccccc1 ZINC001545756761 1067034477 /nfs/dbraw/zinc/03/44/77/1067034477.db2.gz NLUYYBTYILGICL-BVWUFBLMSA-N 1 0 457.638 4.505 20 0 JJADRO C[C@@H](C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001449891495 1067034832 /nfs/dbraw/zinc/03/48/32/1067034832.db2.gz CNKRQCPCFCUPFB-XKCSPQBFSA-N 1 0 461.622 4.547 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756909 1067034942 /nfs/dbraw/zinc/03/49/42/1067034942.db2.gz PYHZCLLCDRZBGM-HSZRJFAPSA-N 1 0 496.700 4.798 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001449899028 1067035307 /nfs/dbraw/zinc/03/53/07/1067035307.db2.gz KRLVZCMAEMETBQ-AGILITTLSA-N 1 0 473.633 4.690 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545758157 1067036336 /nfs/dbraw/zinc/03/63/36/1067036336.db2.gz ASPNJLXQBPKILA-AKIFATBCSA-N 1 0 492.634 4.767 20 0 JJADRO Cc1sc2nc(C)nc(SCC(=O)N[C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c2c1C ZINC001458345908 1067037019 /nfs/dbraw/zinc/03/70/19/1067037019.db2.gz DDKYOLXPHMMABH-UZLBHIALSA-N 1 0 454.665 4.735 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCCC(F)(F)F)c1ccccc1 ZINC001545758397 1067037727 /nfs/dbraw/zinc/03/77/27/1067037727.db2.gz GGZOXABYQZOCGN-UGKGYDQZSA-N 1 0 479.591 4.852 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458349576 1067039192 /nfs/dbraw/zinc/03/91/92/1067039192.db2.gz MYAJZLQKCSSOLF-AJTFRIOCSA-N 1 0 455.602 4.565 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545758642 1067039331 /nfs/dbraw/zinc/03/93/31/1067039331.db2.gz KIXXVHJJTULBQJ-RUZDIDTESA-N 1 0 480.701 4.532 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@](C)(O)C1CCCCC1)c1ccccc1 ZINC001545759347 1067041832 /nfs/dbraw/zinc/04/18/32/1067041832.db2.gz WPUFIAUHQHKGRY-NAKRPHOHSA-N 1 0 467.702 4.929 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759373 1067042031 /nfs/dbraw/zinc/04/20/31/1067042031.db2.gz XECBUDFMYWMLAI-QTJGBDASSA-N 1 0 485.742 4.756 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1)c1ccccc1 ZINC001545759345 1067042104 /nfs/dbraw/zinc/04/21/04/1067042104.db2.gz WPUFIAUHQHKGRY-LEAFIULHSA-N 1 0 467.702 4.929 20 0 JJADRO CCN(CC)c1nc2sc(C(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)cc2s1 ZINC001458368377 1067043372 /nfs/dbraw/zinc/04/33/72/1067043372.db2.gz LCUSDHUZVUFLCV-UHFFFAOYSA-N 1 0 457.669 4.978 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545760559 1067043780 /nfs/dbraw/zinc/04/37/80/1067043780.db2.gz FUMJFVNGETTWES-HFOXQMJASA-N 1 0 483.701 4.571 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001545760912 1067044289 /nfs/dbraw/zinc/04/42/89/1067044289.db2.gz KLBQWNYJQHHHFC-DNQXCXABSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001545760914 1067044346 /nfs/dbraw/zinc/04/43/46/1067044346.db2.gz KLBQWNYJQHHHFC-ZEQRLZLVSA-N 1 0 453.675 4.946 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001545763318 1067046916 /nfs/dbraw/zinc/04/69/16/1067046916.db2.gz GWRILWAROIMDBM-DAHKTCFSSA-N 1 0 483.701 4.571 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@@](C)(CC)C2)n1CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC001545763547 1067047464 /nfs/dbraw/zinc/04/74/64/1067047464.db2.gz KBGLNUCNMAGEFX-HOFKKMOUSA-N 1 0 453.675 4.947 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)cc2)CC1 ZINC001458386233 1067047915 /nfs/dbraw/zinc/04/79/15/1067047915.db2.gz NJXSZZAHUPOLPO-UHFFFAOYSA-N 1 0 452.599 4.745 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCOCC2(CC2)C1)[NH+](C)C ZINC001545764004 1067048186 /nfs/dbraw/zinc/04/81/86/1067048186.db2.gz PHGUSPWGOFQKOQ-ZEQRLZLVSA-N 1 0 453.675 4.803 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CN(C(=O)OC(C)(C)C)C(C)C ZINC001450107371 1067049232 /nfs/dbraw/zinc/04/92/32/1067049232.db2.gz AWUVBNNUPCANKT-DEOSSOPVSA-N 1 0 459.675 4.824 20 0 JJADRO CC[C@@H](c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545764679 1067049306 /nfs/dbraw/zinc/04/93/06/1067049306.db2.gz ZRLURYCDFHSTES-WMTXJRDZSA-N 1 0 453.675 4.944 20 0 JJADRO Cc1cc(O[C@H](C)C(=O)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)ccc1Cl ZINC001458396113 1067050671 /nfs/dbraw/zinc/05/06/71/1067050671.db2.gz NSCVUDCRGWTPPJ-QHAWAJNXSA-N 1 0 459.030 4.741 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001545765837 1067050896 /nfs/dbraw/zinc/05/08/96/1067050896.db2.gz IULSEEIYUZBSSX-ISKFKSNPSA-N 1 0 496.700 4.798 20 0 JJADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)C1(c2cccc(Br)c2)CCCCC1 ZINC001450123778 1067051111 /nfs/dbraw/zinc/05/11/11/1067051111.db2.gz ZIQLCLZDRADXDB-QFIPXVFZSA-N 1 0 457.412 4.856 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C[C@@H]3OCc4cc(Cl)ccc43)cc2)C[C@H]1C ZINC001458398364 1067052116 /nfs/dbraw/zinc/05/21/16/1067052116.db2.gz RVIACANYHCXJNB-RRQZXNHTSA-N 1 0 457.014 4.627 20 0 JJADRO CC[NH+]1CCC(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)(c2ccccc2)CC1 ZINC001450152571 1067054332 /nfs/dbraw/zinc/05/43/32/1067054332.db2.gz RKXLNZIOIAFZGG-UHFFFAOYSA-N 1 0 453.384 4.627 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546100345 1067054929 /nfs/dbraw/zinc/05/49/29/1067054929.db2.gz XFTGWDJLGKQFFY-NAKRPHOHSA-N 1 0 467.702 4.827 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@H+](C)C(C)C)CCO1 ZINC001546100397 1067055446 /nfs/dbraw/zinc/05/54/46/1067055446.db2.gz YLHAYDRARLIRCC-SANMLTNESA-N 1 0 457.663 4.634 20 0 JJADRO CCC(CC)(Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)OC ZINC001545771451 1067058354 /nfs/dbraw/zinc/05/83/54/1067058354.db2.gz PLXWDSDZAUCLEY-RTWAWAEBSA-N 1 0 473.637 4.827 20 0 JJADRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cccc3c1CCN(C(=O)OC(C)(C)C)C3)CC2 ZINC001450226917 1067061612 /nfs/dbraw/zinc/06/16/12/1067061612.db2.gz LZZJRGSWFDPBRO-UHFFFAOYSA-N 1 0 455.643 4.706 20 0 JJADRO Cc1cc2c(c(F)c1)C[C@@H](C(=O)NC1CCC3(CC1)CC[NH+](C)CC3)N2C(=O)OC(C)(C)C ZINC001450229026 1067061660 /nfs/dbraw/zinc/06/16/60/1067061660.db2.gz IGAYVMMKAJXBHE-QFIPXVFZSA-N 1 0 459.606 4.571 20 0 JJADRO Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458444656 1067061776 /nfs/dbraw/zinc/06/17/76/1067061776.db2.gz AJDFYQDMWPNBDW-KKSFZXQISA-N 1 0 453.783 4.902 20 0 JJADRO COc1ccc(Br)cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458447257 1067063142 /nfs/dbraw/zinc/06/31/42/1067063142.db2.gz KPYREPLZYHWMJK-DJJJIMSYSA-N 1 0 455.755 4.673 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448232 1067063704 /nfs/dbraw/zinc/06/37/04/1067063704.db2.gz NOGCCJLWHBAHSS-DENIHFKCSA-N 1 0 459.993 4.564 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449650 1067064197 /nfs/dbraw/zinc/06/41/97/1067064197.db2.gz SGHYEGFFYYQGOK-UGKGYDQZSA-N 1 0 459.993 4.678 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449002 1067064561 /nfs/dbraw/zinc/06/45/61/1067064561.db2.gz QVPFNPVUFCDQPL-YWZLYKJASA-N 1 0 452.357 4.739 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449638 1067064762 /nfs/dbraw/zinc/06/47/62/1067064762.db2.gz SGHYEGFFYYQGOK-KNQAVFIVSA-N 1 0 459.993 4.678 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC2CCCCC2)CC1)OC ZINC001545774120 1067064882 /nfs/dbraw/zinc/06/48/82/1067064882.db2.gz DUTODMUUNKDLAJ-UHFFFAOYSA-N 1 0 475.081 4.901 20 0 JJADRO CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)SC ZINC001545775953 1067069825 /nfs/dbraw/zinc/06/98/25/1067069825.db2.gz QGJPFWRMTRMOTR-QHCPKHFHSA-N 1 0 484.758 4.780 20 0 JJADRO CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001546022694 1067080117 /nfs/dbraw/zinc/08/01/17/1067080117.db2.gz KWUVTGRJWIHAEX-IBGZPJMESA-N 1 0 476.065 4.687 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)OC ZINC001545788362 1067084616 /nfs/dbraw/zinc/08/46/16/1067084616.db2.gz ROUYUMBZTSSDBN-JOCHJYFZSA-N 1 0 460.066 4.792 20 0 JJADRO O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001458547683 1067085693 /nfs/dbraw/zinc/08/56/93/1067085693.db2.gz HZGSVAKUWFPTAO-FCHUYYIVSA-N 1 0 480.552 4.857 20 0 JJADRO CC1(C)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C[C@H](C(F)(F)F)O1 ZINC001450511710 1067085834 /nfs/dbraw/zinc/08/58/34/1067085834.db2.gz KLLBSIATLFGBFI-QWFCFKBJSA-N 1 0 452.542 4.532 20 0 JJADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2csc(COc3ccc(F)cc3)n2)[NH+](C)C)cc1 ZINC001450540469 1067087957 /nfs/dbraw/zinc/08/79/57/1067087957.db2.gz GJJBUYXELAFRDN-JOCHJYFZSA-N 1 0 457.571 4.681 20 0 JJADRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc3ccccc3n2Cc2ccncc2)[NH+](C)C)cc1 ZINC001450542946 1067088331 /nfs/dbraw/zinc/08/83/31/1067088331.db2.gz LSLGDQBUSSMNNT-MHZLTWQESA-N 1 0 456.590 4.905 20 0 JJADRO CCC(CC)(Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)SC ZINC001545791403 1067088648 /nfs/dbraw/zinc/08/86/48/1067088648.db2.gz QYAMJASELLNLCS-UNMCSNQZSA-N 1 0 471.715 4.667 20 0 JJADRO CC(C)Oc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2Br)[NH+](C)C)cc1 ZINC001450548969 1067089681 /nfs/dbraw/zinc/08/96/81/1067089681.db2.gz TUSZBLBUYQUTQW-FQEVSTJZSA-N 1 0 453.808 4.851 20 0 JJADRO CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1)OC ZINC001545792981 1067091852 /nfs/dbraw/zinc/09/18/52/1067091852.db2.gz SKBWPCWHUWSIPC-UHFFFAOYSA-N 1 0 457.663 4.600 20 0 JJADRO CCCCSc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1C(F)(F)F ZINC001545794017 1067092121 /nfs/dbraw/zinc/09/21/21/1067092121.db2.gz RXIGHOIVYJLLFZ-XLIONFOSSA-N 1 0 457.606 4.696 20 0 JJADRO CC(C)c1c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001450608365 1067094926 /nfs/dbraw/zinc/09/49/26/1067094926.db2.gz KPBFXELYEFGORM-QGZVFWFLSA-N 1 0 459.516 4.660 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546102360 1067095171 /nfs/dbraw/zinc/09/51/71/1067095171.db2.gz WXTBDWDDRTVYQY-TYPXCFOJSA-N 1 0 499.700 4.628 20 0 JJADRO CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)OC ZINC001545798556 1067101283 /nfs/dbraw/zinc/10/12/83/1067101283.db2.gz NAULQZUNIGWOLI-FGZHOGPDSA-N 1 0 475.081 4.899 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)COc2cccc(Cl)c2)CC1 ZINC001450698285 1067106194 /nfs/dbraw/zinc/10/61/94/1067106194.db2.gz XGNFVWDQDCEXNM-UHFFFAOYSA-N 1 0 451.792 4.604 20 0 JJADRO C[C@@H](CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)C(=O)c1ccccc1 ZINC001450701891 1067106753 /nfs/dbraw/zinc/10/67/53/1067106753.db2.gz OZBWHEIENZFOPF-SFHVURJKSA-N 1 0 457.412 4.781 20 0 JJADRO COc1ccc(CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H](C)C2CC2)c(OC)c1 ZINC001450710025 1067108880 /nfs/dbraw/zinc/10/88/80/1067108880.db2.gz ILNJFFCQZPOIQD-AUSIDOKSSA-N 1 0 454.586 4.882 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1)[NH+]1CCOCC1 ZINC001545802871 1067111212 /nfs/dbraw/zinc/11/12/12/1067111212.db2.gz CZFPQAYMGOIJKK-ZODMCCGTSA-N 1 0 469.674 4.505 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC(c2ncc(C)s2)CC1)[NH+]1CCOCC1 ZINC001545802908 1067111314 /nfs/dbraw/zinc/11/13/14/1067111314.db2.gz DSPBHTBORABGPM-JOCHJYFZSA-N 1 0 474.719 4.687 20 0 JJADRO CCC(CC)[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)OC ZINC001545803188 1067112052 /nfs/dbraw/zinc/11/20/52/1067112052.db2.gz JEJRLWZRBITBKQ-OLKYXYMISA-N 1 0 475.722 4.713 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)CC[C@H]1C)[NH+](C)C ZINC001545804847 1067116986 /nfs/dbraw/zinc/11/69/86/1067116986.db2.gz CQJJBKOOWFWLJY-GLDPYIMESA-N 1 0 457.663 4.954 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001545805275 1067118958 /nfs/dbraw/zinc/11/89/58/1067118958.db2.gz KSEYMVYMOJDILU-CNNODRBYSA-N 1 0 475.653 4.927 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCOC[C@@H]1C)[NH+](C)C ZINC001545805531 1067120068 /nfs/dbraw/zinc/12/00/68/1067120068.db2.gz OUTSCEAJCBXAIT-GHTZIAJQSA-N 1 0 459.704 4.867 20 0 JJADRO Cc1nn(-c2ccccc2)c2ncc(C(=O)NC[C@@H](c3ccc(CC(C)C)cc3)[NH+](C)C)cc12 ZINC001450780993 1067120211 /nfs/dbraw/zinc/12/02/11/1067120211.db2.gz GSVLVEFEATYTRD-SANMLTNESA-N 1 0 455.606 4.960 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001545805504 1067120269 /nfs/dbraw/zinc/12/02/69/1067120269.db2.gz OHNJKQDWNGQRDW-WOJBJXKFSA-N 1 0 454.432 4.862 20 0 JJADRO CC(C)Cc1ccc([C@@H](CNC(=O)c2nc(NCc3ccco3)ncc2Cl)[NH+](C)C)cc1 ZINC001450786446 1067121072 /nfs/dbraw/zinc/12/10/72/1067121072.db2.gz MYQXBIIXJVKUND-OAQYLSRUSA-N 1 0 455.990 4.566 20 0 JJADRO C[C@@H]1[C@H](NC(=O)[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001450801323 1067122616 /nfs/dbraw/zinc/12/26/16/1067122616.db2.gz SDIBCVDOYWYHJD-KEKPKEOLSA-N 1 0 459.609 4.806 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545807207 1067124059 /nfs/dbraw/zinc/12/40/59/1067124059.db2.gz CWRYXCLPIOCDGR-VXKWHMMOSA-N 1 0 490.574 4.627 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545807186 1067124217 /nfs/dbraw/zinc/12/42/17/1067124217.db2.gz CIHCJVPOHRPKTK-MCEYFSPLSA-N 1 0 497.728 4.993 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001545807127 1067124284 /nfs/dbraw/zinc/12/42/84/1067124284.db2.gz BGUREJMGXNPXRU-IBGZPJMESA-N 1 0 490.446 4.529 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001545807234 1067124951 /nfs/dbraw/zinc/12/49/51/1067124951.db2.gz DOXALHLOSSIKTG-SQJMNOBHSA-N 1 0 483.701 4.605 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001545807232 1067125000 /nfs/dbraw/zinc/12/50/00/1067125000.db2.gz DOXALHLOSSIKTG-OFVILXPXSA-N 1 0 483.701 4.605 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1)[NH+](C)C ZINC001545807483 1067126062 /nfs/dbraw/zinc/12/60/62/1067126062.db2.gz ISUXKHFIIKCFQZ-AREMUKBSSA-N 1 0 494.728 4.786 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1C)[NH+]1CCOCC1 ZINC001545807468 1067126087 /nfs/dbraw/zinc/12/60/87/1067126087.db2.gz ILRWUNIONYKIKC-GCJKJVERSA-N 1 0 476.065 4.733 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1)[NH+](C)C ZINC001545807484 1067126276 /nfs/dbraw/zinc/12/62/76/1067126276.db2.gz ISUXKHFIIKCFQZ-SANMLTNESA-N 1 0 494.728 4.786 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@H](C(C)C)C1)[NH+](C)C ZINC001545807537 1067127095 /nfs/dbraw/zinc/12/70/95/1067127095.db2.gz JXXGYBPYUVDRES-PMACEKPBSA-N 1 0 465.111 4.938 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1)[NH+](C)C ZINC001545807695 1067127519 /nfs/dbraw/zinc/12/75/19/1067127519.db2.gz MRELNRBDQZTDOP-OXQOHEQNSA-N 1 0 482.456 4.618 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccsc1)[NH+]1CCOCC1 ZINC001545807846 1067128832 /nfs/dbraw/zinc/12/88/32/1067128832.db2.gz ORORBRIKHFNEHL-OAQYLSRUSA-N 1 0 489.089 4.828 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1)[NH+](C)C ZINC001545807904 1067130337 /nfs/dbraw/zinc/13/03/37/1067130337.db2.gz PGOMLHUWGPFTPA-WTIAFYNJSA-N 1 0 490.092 4.979 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)CCC[C@H]12 ZINC001450846547 1067131163 /nfs/dbraw/zinc/13/11/63/1067131163.db2.gz JUYJXMIFXIUYKE-QSEAXJEQSA-N 1 0 455.643 4.585 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccsc2)CC1)[NH+](C)C ZINC001545808065 1067131118 /nfs/dbraw/zinc/13/11/18/1067131118.db2.gz RTGUEKQFUCPUEV-JOCHJYFZSA-N 1 0 498.697 4.673 20 0 JJADRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)O2 ZINC001450846920 1067131787 /nfs/dbraw/zinc/13/17/87/1067131787.db2.gz KQYWCKDPLOZBSC-FIPFOOKPSA-N 1 0 450.623 4.820 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](c2ccccc2OC)C1)[NH+](C)C ZINC001545809684 1067136370 /nfs/dbraw/zinc/13/63/70/1067136370.db2.gz INUDMNWXPZRRFK-ISKFKSNPSA-N 1 0 462.642 4.709 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)OC1CCCC1)[NH+]1CCOCC1 ZINC001545809852 1067136870 /nfs/dbraw/zinc/13/68/70/1067136870.db2.gz LMHHIXMKZXPZDN-HSZRJFAPSA-N 1 0 459.610 4.532 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1)[NH+](C)C ZINC001545810371 1067138124 /nfs/dbraw/zinc/13/81/24/1067138124.db2.gz VHVIBPXJLIMKAD-FGZHOGPDSA-N 1 0 499.635 4.535 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1)[NH+](C)C ZINC001545810372 1067138154 /nfs/dbraw/zinc/13/81/54/1067138154.db2.gz VHVIBPXJLIMKAD-VXKWHMMOSA-N 1 0 499.635 4.535 20 0 JJADRO COc1ccccc1-n1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1cccs1 ZINC001458771843 1067138451 /nfs/dbraw/zinc/13/84/51/1067138451.db2.gz RPWFWRNMTSSFJU-UHFFFAOYSA-N 1 0 457.669 4.513 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001545811904 1067140075 /nfs/dbraw/zinc/14/00/75/1067140075.db2.gz FGHBDXDPHIUUDY-YYDVJCTNSA-N 1 0 466.630 4.580 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC[C@H](C)C1)[NH+](C)C ZINC001545811975 1067140087 /nfs/dbraw/zinc/14/00/87/1067140087.db2.gz GJHLQMHFKGHIHO-PGRDOPGGSA-N 1 0 465.646 4.587 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1cccc(F)c1)[NH+](C)C ZINC001545812171 1067140138 /nfs/dbraw/zinc/14/01/38/1067140138.db2.gz KAKMITSEEXBZHA-PKTZIBPZSA-N 1 0 453.610 4.526 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001451029422 1067140617 /nfs/dbraw/zinc/14/06/17/1067140617.db2.gz HTBDYCVPRZXXLD-VXNXHJTFSA-N 1 0 455.643 4.583 20 0 JJADRO CC[C@H](C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](CC)C1 ZINC001451028387 1067140702 /nfs/dbraw/zinc/14/07/02/1067140702.db2.gz FVYBKKLXZZKCKX-PFBJBMPXSA-N 1 0 455.687 4.559 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545812263 1067140688 /nfs/dbraw/zinc/14/06/88/1067140688.db2.gz KXAFERVHHYTWMZ-RDPSFJRHSA-N 1 0 479.673 4.501 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+](C)C ZINC001545813081 1067141890 /nfs/dbraw/zinc/14/18/90/1067141890.db2.gz ZVULJJOONOXAFG-FDDCHVKYSA-N 1 0 452.647 4.797 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+]1CCOCC1 ZINC001545812867 1067141950 /nfs/dbraw/zinc/14/19/50/1067141950.db2.gz WOBSIWXBAHMMBQ-JOCHJYFZSA-N 1 0 464.029 4.721 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+](C)C ZINC001545813083 1067141965 /nfs/dbraw/zinc/14/19/65/1067141965.db2.gz ZVULJJOONOXAFG-MBSDFSHPSA-N 1 0 452.647 4.797 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545814983 1067143482 /nfs/dbraw/zinc/14/34/82/1067143482.db2.gz KLQVIDHPQIYXDT-VXNXHJTFSA-N 1 0 473.637 4.603 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1)[NH+](C)C ZINC001545814947 1067143536 /nfs/dbraw/zinc/14/35/36/1067143536.db2.gz JTQMGURTUDTEPJ-HGSOSGBHSA-N 1 0 475.703 4.914 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)[NH+](C)C ZINC001545815120 1067144239 /nfs/dbraw/zinc/14/42/39/1067144239.db2.gz MQKYZHDPIKFEFK-RPWUZVMVSA-N 1 0 499.679 4.842 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCN(c2ccccc2F)CC1)[NH+](C)C ZINC001545815378 1067144746 /nfs/dbraw/zinc/14/47/46/1067144746.db2.gz PUWQTDWMCGGLMZ-DEOSSOPVSA-N 1 0 456.654 4.768 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(c2ccccc2F)CC1)[NH+](C)C ZINC001545815379 1067144772 /nfs/dbraw/zinc/14/47/72/1067144772.db2.gz PUWQTDWMCGGLMZ-XMMPIXPASA-N 1 0 456.654 4.768 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(c2ccc(C)cc2)CC1)[NH+](C)C ZINC001545815798 1067145125 /nfs/dbraw/zinc/14/51/25/1067145125.db2.gz WCGIZSZFVIPPPC-RUZDIDTESA-N 1 0 452.691 4.937 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC=C(C(F)(F)F)CC1)[NH+](C)C ZINC001545817137 1067146528 /nfs/dbraw/zinc/14/65/28/1067146528.db2.gz FLWFBTACFLHOHM-NRFANRHFSA-N 1 0 479.591 4.943 20 0 JJADRO CCNc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1Cl ZINC001451110219 1067146601 /nfs/dbraw/zinc/14/66/01/1067146601.db2.gz MSKNWNMCECYTNX-JTHBVZDNSA-N 1 0 452.961 4.704 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N(C)[C@H]1CCc2ccccc21)[NH+]1CCOCC1 ZINC001545817179 1067147242 /nfs/dbraw/zinc/14/72/42/1067147242.db2.gz FXFBLQBHYFHCJY-LOSJGSFVSA-N 1 0 453.675 4.737 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)[NH+](C)C ZINC001545817182 1067147333 /nfs/dbraw/zinc/14/73/33/1067147333.db2.gz FXPQAEWBHBUWTE-SFHVURJKSA-N 1 0 473.691 4.580 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](SC)C1)[NH+](C)C ZINC001545817205 1067147454 /nfs/dbraw/zinc/14/74/54/1067147454.db2.gz GJMVBDUJLWESSP-RTWAWAEBSA-N 1 0 464.749 4.722 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCS[C@@H](C(C)C)C1)[NH+](C)C ZINC001545817243 1067147891 /nfs/dbraw/zinc/14/78/91/1067147891.db2.gz GZYOQKHCLTXBGM-DHIUTWEWSA-N 1 0 461.695 4.952 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001545817297 1067147934 /nfs/dbraw/zinc/14/79/34/1067147934.db2.gz HUXCJRXSOAVRER-HTAPYJJXSA-N 1 0 463.617 4.517 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](c2ccnn2C)C1)[NH+](C)C ZINC001545817251 1067147972 /nfs/dbraw/zinc/14/79/72/1067147972.db2.gz HAPLDQIVYRPIKQ-AZGAKELHSA-N 1 0 477.701 4.661 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)C[C@@H]1CC)[NH+]1CCOCC1 ZINC001545817311 1067148682 /nfs/dbraw/zinc/14/86/82/1067148682.db2.gz IBPKTNJMWWECFG-YNJKOYDBSA-N 1 0 471.665 4.770 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545817377 1067149199 /nfs/dbraw/zinc/14/91/99/1067149199.db2.gz IZERITMZFWMXED-DQEYMECFSA-N 1 0 497.087 4.862 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCSC2)C1)[NH+](C)C ZINC001545817618 1067150519 /nfs/dbraw/zinc/15/05/19/1067150519.db2.gz MPXACMHYTPBJBC-RCZVLFRGSA-N 1 0 459.679 4.708 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N1CCSC2(CCCCC2)C1)[NH+]1CCOCC1 ZINC001545817790 1067151254 /nfs/dbraw/zinc/15/12/54/1067151254.db2.gz PPGXYEWMBIRTLY-QHCPKHFHSA-N 1 0 477.763 4.870 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001545817728 1067151299 /nfs/dbraw/zinc/15/12/99/1067151299.db2.gz OMNBCCLIUOLDLJ-XXBNENTESA-N 1 0 488.746 4.643 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC001545817833 1067151955 /nfs/dbraw/zinc/15/19/55/1067151955.db2.gz QHUBFCZCTNUWAF-DEOSSOPVSA-N 1 0 471.665 4.771 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545818123 1067152569 /nfs/dbraw/zinc/15/25/69/1067152569.db2.gz WIVVLNOPXHDEGP-RUZDIDTESA-N 1 0 469.649 4.692 20 0 JJADRO CCCc1c(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)nnn1-c1cccc(C(C)C)c1 ZINC001451192172 1067152637 /nfs/dbraw/zinc/15/26/37/1067152637.db2.gz DKKMNGOIDXVKKR-UHFFFAOYSA-N 1 0 453.562 4.675 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545818164 1067152601 /nfs/dbraw/zinc/15/26/01/1067152601.db2.gz WVCRLZUHUAJPQA-RPBOFIJWSA-N 1 0 497.087 4.862 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1F ZINC001451198510 1067153189 /nfs/dbraw/zinc/15/31/89/1067153189.db2.gz QIRHXNOOCHNORF-NRFANRHFSA-N 1 0 459.562 4.751 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCC2)C1)[NH+](C)C ZINC001545819131 1067153246 /nfs/dbraw/zinc/15/32/46/1067153246.db2.gz AJNCMNNSQPBAFV-BDTNDASRSA-N 1 0 488.721 4.796 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@@H](COc3ccccc3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819293 1067153552 /nfs/dbraw/zinc/15/35/52/1067153552.db2.gz COKQJUKIIRTNHR-RDGATRHJSA-N 1 0 483.701 4.618 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC001545819345 1067153569 /nfs/dbraw/zinc/15/35/69/1067153569.db2.gz DKQVNXNRUCQPNM-FUOIXIIKSA-N 1 0 490.737 4.898 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001545819204 1067153648 /nfs/dbraw/zinc/15/36/48/1067153648.db2.gz BNYXKRBDCIFMFS-WQIFRTTPSA-N 1 0 476.710 4.507 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545819328 1067153683 /nfs/dbraw/zinc/15/36/83/1067153683.db2.gz CZTICPRXFBBPNO-ZRCGQRJVSA-N 1 0 481.676 4.875 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2C)CC1)[NH+](C)C ZINC001545819248 1067153715 /nfs/dbraw/zinc/15/37/15/1067153715.db2.gz CAZWKGUFYKYEPM-VWLOTQADSA-N 1 0 480.726 4.932 20 0 JJADRO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3C)cc2)c1C ZINC001451210565 1067153794 /nfs/dbraw/zinc/15/37/94/1067153794.db2.gz KMEXTRMMJWQVIE-UHFFFAOYSA-N 1 0 451.592 4.727 20 0 JJADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)cc1 ZINC001451212789 1067154570 /nfs/dbraw/zinc/15/45/70/1067154570.db2.gz PKBNCGXDJDVWNV-UHFFFAOYSA-N 1 0 451.592 4.524 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(Cl)cc2C1)[NH+](C)C ZINC001545820228 1067158076 /nfs/dbraw/zinc/15/80/76/1067158076.db2.gz TZTFZKHORGUEST-XMMPIXPASA-N 1 0 484.092 4.722 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC(F)(F)F)[NH+](C)C ZINC001545820307 1067158443 /nfs/dbraw/zinc/15/84/43/1067158443.db2.gz VLEYBIBXVCGFNG-FQEVSTJZSA-N 1 0 450.553 4.646 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCc2c1cnn2C)[NH+](C)C ZINC001545820495 1067159181 /nfs/dbraw/zinc/15/91/81/1067159181.db2.gz YOPZTZKUUZKHFB-GMAHTHKFSA-N 1 0 469.703 4.544 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]1C)[NH+]1CCOCC1 ZINC001545820537 1067159935 /nfs/dbraw/zinc/15/99/35/1067159935.db2.gz ZMUSAUDDRNPIJT-ISKFKSNPSA-N 1 0 469.674 4.600 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001545821355 1067160445 /nfs/dbraw/zinc/16/04/45/1067160445.db2.gz BHSRCKFBWNATCK-BVOGOJNSSA-N 1 0 480.673 4.511 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC001545820539 1067160510 /nfs/dbraw/zinc/16/05/10/1067160510.db2.gz ZMUSAUDDRNPIJT-UPVQGACJSA-N 1 0 469.674 4.600 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)c2cccs2)CC1)[NH+](C)C ZINC001545822034 1067162751 /nfs/dbraw/zinc/16/27/51/1067162751.db2.gz RKIDEHQXFQOSKZ-LEWJYISDSA-N 1 0 473.687 4.657 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)C1)[NH+](C)C ZINC001545822210 1067163673 /nfs/dbraw/zinc/16/36/73/1067163673.db2.gz WKYNPOXLDHZNCM-OYNPSCLESA-N 1 0 451.725 4.505 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1)[NH+](C)C ZINC001545822220 1067163702 /nfs/dbraw/zinc/16/37/02/1067163702.db2.gz WQZAAYHIQBGQKE-XYEHWOGUSA-N 1 0 461.676 4.524 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC001458838322 1067166286 /nfs/dbraw/zinc/16/62/86/1067166286.db2.gz CMCUUXMGKVQJCD-ZJSXRUAMSA-N 1 0 456.030 4.659 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)on1 ZINC001545823388 1067166420 /nfs/dbraw/zinc/16/64/20/1067166420.db2.gz KWBUCECIWZYSGR-SJORKVTESA-N 1 0 472.037 4.852 20 0 JJADRO Cc1sc(Br)nc1C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC001458840010 1067167403 /nfs/dbraw/zinc/16/74/03/1067167403.db2.gz VWGJHBHZQHKUTQ-MRXNPFEDSA-N 1 0 458.372 4.838 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)on1 ZINC001545823667 1067167553 /nfs/dbraw/zinc/16/75/53/1067167553.db2.gz ULRWUFZUQNEVQG-UHFFFAOYSA-N 1 0 465.646 4.838 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001545826144 1067173441 /nfs/dbraw/zinc/17/34/41/1067173441.db2.gz GZRUGUWXSXVEQW-VGSWGCGISA-N 1 0 490.643 4.793 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001545826713 1067175785 /nfs/dbraw/zinc/17/57/85/1067175785.db2.gz SAGJGAFYHPVKDJ-GOSISDBHSA-N 1 0 490.643 4.937 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545826744 1067176220 /nfs/dbraw/zinc/17/62/20/1067176220.db2.gz SNHABXUFBVSMOF-VXKWHMMOSA-N 1 0 468.690 4.823 20 0 JJADRO CCN(CC)c1ccc(-c2nnc(SCCC[NH+]3CCN(c4ccccc4)CC3)o2)cc1 ZINC001458862325 1067177280 /nfs/dbraw/zinc/17/72/80/1067177280.db2.gz MMEGUPYRHAMOFV-UHFFFAOYSA-N 1 0 451.640 4.887 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001545826999 1067177307 /nfs/dbraw/zinc/17/73/07/1067177307.db2.gz YQNPQCKGVFEBKB-RXVVDRJESA-N 1 0 470.637 4.550 20 0 JJADRO Brc1cccc(-c2nnc(SCCC[NH+]3CCN(c4ccccc4)CC3)o2)c1 ZINC001458863938 1067177896 /nfs/dbraw/zinc/17/78/96/1067177896.db2.gz VMXFNQGUGQCWOH-UHFFFAOYSA-N 1 0 459.413 4.804 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001451585666 1067179692 /nfs/dbraw/zinc/17/96/92/1067179692.db2.gz JFDVQGASNSIHGF-DDKRZIBASA-N 1 0 469.670 4.734 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc2c(ccc(Br)c2C)[nH]1 ZINC001451642307 1067181834 /nfs/dbraw/zinc/18/18/34/1067181834.db2.gz RXDVGIYEJCMLGZ-WZONZLPQSA-N 1 0 470.411 4.506 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001545836132 1067188476 /nfs/dbraw/zinc/18/84/76/1067188476.db2.gz CODIYVNOPNDYAM-UHFFFAOYSA-N 1 0 491.684 4.503 20 0 JJADRO CC(C)OCCCn1c(=O)c2ccc(Cl)cc2nc1SCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001458895013 1067188952 /nfs/dbraw/zinc/18/89/52/1067188952.db2.gz NKDSALNTJCAMQU-QZTJIDSGSA-N 1 0 452.064 4.935 20 0 JJADRO Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC001451934055 1067199415 /nfs/dbraw/zinc/19/94/15/1067199415.db2.gz JLCWQKWDYVHNHG-QHCPKHFHSA-N 1 0 451.611 4.913 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001545849154 1067202673 /nfs/dbraw/zinc/20/26/73/1067202673.db2.gz LBZRQFPQCVNMNG-SFTDATJTSA-N 1 0 460.711 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001545849483 1067203282 /nfs/dbraw/zinc/20/32/82/1067203282.db2.gz PEIMIEHFUQKROR-XUZZJYLKSA-N 1 0 480.701 4.906 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001545849936 1067204872 /nfs/dbraw/zinc/20/48/72/1067204872.db2.gz WWLYHQASKIVDCQ-HLAWJBBLSA-N 1 0 472.703 4.720 20 0 JJADRO CC(C)N(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001452137923 1067208741 /nfs/dbraw/zinc/20/87/41/1067208741.db2.gz SDTPUHUWOZMMBY-NRFANRHFSA-N 1 0 453.583 4.864 20 0 JJADRO CCC(O)(CC)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001546039744 1067230076 /nfs/dbraw/zinc/23/00/76/1067230076.db2.gz JNZFDLLHIGYOPI-RPWUZVMVSA-N 1 0 483.701 4.807 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001452534034 1067232464 /nfs/dbraw/zinc/23/24/64/1067232464.db2.gz ZUVJLRXPIJRWCB-BJKOFHAPSA-N 1 0 469.670 4.975 20 0 JJADRO CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC001452532845 1067232681 /nfs/dbraw/zinc/23/26/81/1067232681.db2.gz WOCCMQLUVXFKJY-UHFFFAOYSA-N 1 0 455.643 4.586 20 0 JJADRO Cc1c(Br)scc1C(=O)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001452691757 1067244414 /nfs/dbraw/zinc/24/44/14/1067244414.db2.gz MZTJRHKXFFDTDB-GASCZTMLSA-N 1 0 451.430 4.700 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546105882 1067246327 /nfs/dbraw/zinc/24/63/27/1067246327.db2.gz AEPJZGSCNCZRPJ-RTBURBONSA-N 1 0 475.081 4.898 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(F)(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC001452778089 1067251261 /nfs/dbraw/zinc/25/12/61/1067251261.db2.gz SCGKLGUQMUDCOE-UHFFFAOYSA-N 1 0 451.608 4.552 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546044643 1067254739 /nfs/dbraw/zinc/25/47/39/1067254739.db2.gz DLHLPEMFIQNGFS-OPJGWUQDSA-N 1 0 476.065 4.950 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001459139625 1067258947 /nfs/dbraw/zinc/25/89/47/1067258947.db2.gz BSOBIQMAPKGTGC-VWNXMTODSA-N 1 0 454.636 4.765 20 0 JJADRO O=C(NC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001459186308 1067268168 /nfs/dbraw/zinc/26/81/68/1067268168.db2.gz QZGQHEYAFCZWSU-RBZQAINGSA-N 1 0 453.508 4.760 20 0 JJADRO O=C(NCc1ccc(F)cc1Br)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001459243838 1067276636 /nfs/dbraw/zinc/27/66/36/1067276636.db2.gz QKROZQDNNAPPAW-LJQANCHMSA-N 1 0 459.281 4.659 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)O1 ZINC001546048523 1067288812 /nfs/dbraw/zinc/28/88/12/1067288812.db2.gz NIOBOOLCQYXUEQ-CJFMBICVSA-N 1 0 477.600 4.815 20 0 JJADRO C[C@@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4cc(Br)cs4)nc(N)c23)C1 ZINC001459307825 1067289765 /nfs/dbraw/zinc/28/97/65/1067289765.db2.gz GRMDJZPJTYLWAK-LLVKDONJSA-N 1 0 451.459 4.897 20 0 JJADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1)O2 ZINC001459316673 1067292125 /nfs/dbraw/zinc/29/21/25/1067292125.db2.gz BKUWTBAYIPROHA-RTBURBONSA-N 1 0 451.405 4.755 20 0 JJADRO CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC([NH2+]C(C)C)CC2)O1 ZINC001546049262 1067295375 /nfs/dbraw/zinc/29/53/75/1067295375.db2.gz XREQOHKMGRIWAI-NLFFAJNJSA-N 1 0 476.065 4.922 20 0 JJADRO CCC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[C@H](C)c1cc2ccccc2o1 ZINC001459342831 1067298689 /nfs/dbraw/zinc/29/86/89/1067298689.db2.gz GJMSLKUETXFMLI-QGZVFWFLSA-N 1 0 451.523 4.715 20 0 JJADRO Cc1nc(NC(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)sc1Cc1ccc(C)cc1 ZINC001459344086 1067298933 /nfs/dbraw/zinc/29/89/33/1067298933.db2.gz MWDZQOCTIFXCJV-UHFFFAOYSA-N 1 0 454.684 4.877 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)cc2)C1 ZINC001453394978 1067302843 /nfs/dbraw/zinc/30/28/43/1067302843.db2.gz GBLDHGUMHTWALG-GOTSBHOMSA-N 1 0 457.615 4.731 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)cc2)C1 ZINC001453394993 1067303677 /nfs/dbraw/zinc/30/36/77/1067303677.db2.gz GBLDHGUMHTWALG-XZOQPEGZSA-N 1 0 457.615 4.731 20 0 JJADRO C[C@H]1N(C(=O)[C@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc2C1(C)C ZINC001453435389 1067306209 /nfs/dbraw/zinc/30/62/09/1067306209.db2.gz BXVWTXAVRJYWCZ-KNQAVFIVSA-N 1 0 451.611 4.725 20 0 JJADRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)C[C@H](O)c1cc(Br)no1 ZINC001459377679 1067307866 /nfs/dbraw/zinc/30/78/66/1067307866.db2.gz VORUJFMBYRTZHC-SFHVURJKSA-N 1 0 452.324 4.609 20 0 JJADRO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[N@H+](CC)[C@H](C)C(C)C ZINC001459385215 1067309634 /nfs/dbraw/zinc/30/96/34/1067309634.db2.gz WXVYKQPUSXBQFL-QGZVFWFLSA-N 1 0 459.612 4.790 20 0 JJADRO CCC1(CC)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001546108629 1067313960 /nfs/dbraw/zinc/31/39/60/1067313960.db2.gz HILHXHANDTZCDC-JOCHJYFZSA-N 1 0 488.721 4.749 20 0 JJADRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001459405277 1067314563 /nfs/dbraw/zinc/31/45/63/1067314563.db2.gz DBHZFXAMFOLRBL-QFIPXVFZSA-N 1 0 451.014 4.924 20 0 JJADRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001459405271 1067314792 /nfs/dbraw/zinc/31/47/92/1067314792.db2.gz DBHZFXAMFOLRBL-JOCHJYFZSA-N 1 0 451.014 4.924 20 0 JJADRO CC[N@@H+]1CCCN(Cc2csc(=Nc3ccc(OC)cc3)n2[C@@H](C)c2ccccc2)CC1 ZINC001459408258 1067315132 /nfs/dbraw/zinc/31/51/32/1067315132.db2.gz ZGHQFFMHRDZLMU-NRFANRHFSA-N 1 0 450.652 4.928 20 0 JJADRO Fc1ccc([C@@H]2CN(CCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)CCO2)cc1Cl ZINC001459425857 1067322559 /nfs/dbraw/zinc/32/25/59/1067322559.db2.gz LKANQSSWLJWSQF-QHCPKHFHSA-N 1 0 452.401 4.718 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@H]2C)O1 ZINC001546054641 1067327619 /nfs/dbraw/zinc/32/76/19/1067327619.db2.gz PYOAWVFTXQHTHJ-MRCUYLHHSA-N 1 0 453.675 4.925 20 0 JJADRO CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)CC1 ZINC001459462351 1067330549 /nfs/dbraw/zinc/33/05/49/1067330549.db2.gz GHCATBQGRSDTOG-OAQYLSRUSA-N 1 0 450.023 4.581 20 0 JJADRO Cc1cc(C[N@@H+](C)[C@H]2CCN(C3CCOCC3)C2=O)cc(C)c1OCc1ccccc1Cl ZINC001459506520 1067340705 /nfs/dbraw/zinc/34/07/05/1067340705.db2.gz YYBCABQVOBKICM-DEOSSOPVSA-N 1 0 457.014 4.748 20 0 JJADRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc(F)ccc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001459508427 1067341218 /nfs/dbraw/zinc/34/12/18/1067341218.db2.gz BDNUZTDKUIYKTP-GOTSBHOMSA-N 1 0 455.574 4.974 20 0 JJADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)cc2)cc1 ZINC001459544385 1067348137 /nfs/dbraw/zinc/34/81/37/1067348137.db2.gz UNUKPRQJSJKGSI-QFIPXVFZSA-N 1 0 457.574 4.841 20 0 JJADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CC[C@H](Cc4ccccc4)C3)cc2)cc1 ZINC001459544383 1067348239 /nfs/dbraw/zinc/34/82/39/1067348239.db2.gz UNUKPRQJSJKGSI-JOCHJYFZSA-N 1 0 457.574 4.841 20 0 JJADRO COc1ccc(CN2CCN(C(=O)C[N@H+](C)[C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC001459558615 1067350859 /nfs/dbraw/zinc/35/08/59/1067350859.db2.gz WYJVVBKLEXLHSB-QHCPKHFHSA-N 1 0 457.618 4.699 20 0 JJADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC001459595197 1067359909 /nfs/dbraw/zinc/35/99/09/1067359909.db2.gz QZZOXOQSHNBFBA-UHFFFAOYSA-N 1 0 452.343 4.758 20 0 JJADRO CC[NH+](CC)[C@H]1CCN(CC(=O)N(Cc2ccccc2)c2nc3c(ccc(C)c3C)s2)C1 ZINC001459598113 1067360354 /nfs/dbraw/zinc/36/03/54/1067360354.db2.gz QJTGOZGHFXLNHB-QFIPXVFZSA-N 1 0 450.652 4.862 20 0 JJADRO CCOC(=O)c1c(NC(=O)C[N@H+](C)C[C@H]2CCCOC2)sc(Cl)c1-c1ccccc1 ZINC001459602918 1067360798 /nfs/dbraw/zinc/36/07/98/1067360798.db2.gz VNXGTAXKSWSFJQ-OAHLLOKOSA-N 1 0 450.988 4.542 20 0 JJADRO CC(=O)N(c1nc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cs1)c1cccc(C(F)(F)F)c1 ZINC001459605071 1067361364 /nfs/dbraw/zinc/36/13/64/1067361364.db2.gz XOQKUCVBULNLNC-HXUWFJFHSA-N 1 0 452.546 4.907 20 0 JJADRO CCC1(CC)CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546110470 1067362477 /nfs/dbraw/zinc/36/24/77/1067362477.db2.gz AMEYSTUMXRHGDH-DHIUTWEWSA-N 1 0 467.702 4.968 20 0 JJADRO Cc1cc(N2CCC[C@H]([NH+]3CCC(N(C)c4ccccc4)CC3)C2=O)ccc1Br ZINC001459623060 1067366956 /nfs/dbraw/zinc/36/69/56/1067366956.db2.gz DFLZSEYPECKXLT-QHCPKHFHSA-N 1 0 456.428 4.854 20 0 JJADRO CC[C@H]1C[N@H+](Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC[C@H]1c1ccccc1 ZINC001459627879 1067367632 /nfs/dbraw/zinc/36/76/32/1067367632.db2.gz PPVUYANZXZJFEY-SIKLNZKXSA-N 1 0 454.640 4.609 20 0 JJADRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC[C@@H]21 ZINC001459657877 1067373326 /nfs/dbraw/zinc/37/33/26/1067373326.db2.gz QVYPHIWONWGJRA-JTSKRJEESA-N 1 0 458.400 4.596 20 0 JJADRO CCO[C@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccc(I)cc3)n2)C12CCC2 ZINC001459664830 1067376109 /nfs/dbraw/zinc/37/61/09/1067376109.db2.gz BYFXCWWXEPROHU-ROUUACIJSA-N 1 0 452.336 4.726 20 0 JJADRO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459664553 1067376400 /nfs/dbraw/zinc/37/64/00/1067376400.db2.gz AFQIBKRKXCLXPN-ZTCOLXNVSA-N 1 0 454.611 4.639 20 0 JJADRO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666070 1067376550 /nfs/dbraw/zinc/37/65/50/1067376550.db2.gz YJMWYATULWASHF-MJGOQNOKSA-N 1 0 459.999 4.731 20 0 JJADRO COc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2Br)c1 ZINC001459673890 1067379635 /nfs/dbraw/zinc/37/96/35/1067379635.db2.gz VQMKLQAJVBPTON-BJKOFHAPSA-N 1 0 456.380 4.727 20 0 JJADRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1)c1cccc2ccccc21 ZINC001459675957 1067380585 /nfs/dbraw/zinc/38/05/85/1067380585.db2.gz FRYZFMPNVZDIJJ-UXHICEINSA-N 1 0 450.627 4.502 20 0 JJADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccc(C2CCCCC2)cc1 ZINC001459684409 1067382701 /nfs/dbraw/zinc/38/27/01/1067382701.db2.gz MNMPTHSGNOCILV-RUZDIDTESA-N 1 0 450.562 4.775 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001459685113 1067382921 /nfs/dbraw/zinc/38/29/21/1067382921.db2.gz KSCGQEXEAFYWRX-NCYKPQTJSA-N 1 0 451.652 4.743 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)cc1 ZINC001459688396 1067384179 /nfs/dbraw/zinc/38/41/79/1067384179.db2.gz NUIXMDZLFOZGAW-YHYXMXQVSA-N 1 0 458.427 4.942 20 0 JJADRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC001459695246 1067386599 /nfs/dbraw/zinc/38/65/99/1067386599.db2.gz PQGGFYDEJUFUGT-LJQANCHMSA-N 1 0 454.558 4.687 20 0 JJADRO CCCCn1c(C[N@@H+]2CCC[C@H](C)[C@H]2CCC)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459706942 1067389829 /nfs/dbraw/zinc/38/98/29/1067389829.db2.gz BZFYRUVJKFATEI-PZJWPPBQSA-N 1 0 451.615 4.548 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(C)nn4)cc3)c(OCC)c2)CC1 ZINC001459710720 1067391729 /nfs/dbraw/zinc/39/17/29/1067391729.db2.gz PVIODSKXQDTCFP-UHFFFAOYSA-N 1 0 459.594 4.635 20 0 JJADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC001459720856 1067395408 /nfs/dbraw/zinc/39/54/08/1067395408.db2.gz JNXBEEKXBXNNRJ-FQEVSTJZSA-N 1 0 452.545 4.958 20 0 JJADRO Cc1ncc(CNC(=O)CC[NH2+]C2(Cc3ccc(Br)cc3)CCCCC2)s1 ZINC001459720850 1067395525 /nfs/dbraw/zinc/39/55/25/1067395525.db2.gz STGCEUOWVPGXTP-UHFFFAOYSA-N 1 0 450.446 4.756 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCc1ccc(Cl)cc1-n1cncn1 ZINC001459725069 1067396756 /nfs/dbraw/zinc/39/67/56/1067396756.db2.gz GCHXAQORWDACCI-SFHVURJKSA-N 1 0 454.958 4.531 20 0 JJADRO COc1ccccc1S(=O)(=O)CCC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC001459750503 1067405947 /nfs/dbraw/zinc/40/59/47/1067405947.db2.gz SCJSMKZMYQPLEP-UHFFFAOYSA-N 1 0 452.414 4.681 20 0 JJADRO CC(C)(C)OC(=O)CCc1cccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001459762319 1067412481 /nfs/dbraw/zinc/41/24/81/1067412481.db2.gz DNPLRFHVQWZPNX-UHFFFAOYSA-N 1 0 451.611 4.502 20 0 JJADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2[C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)cn1 ZINC001459766905 1067413909 /nfs/dbraw/zinc/41/39/09/1067413909.db2.gz BTWFEDQRGLOOSS-DNVJHFABSA-N 1 0 458.375 4.999 20 0 JJADRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001459792853 1067426076 /nfs/dbraw/zinc/42/60/76/1067426076.db2.gz WDKWFECZMOBFBV-YBXDKENTSA-N 1 0 454.634 4.671 20 0 JJADRO COc1ccc(N=c2scc(C[N@@H+]3CCC[C@](C)(CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001459798563 1067428665 /nfs/dbraw/zinc/42/86/65/1067428665.db2.gz SUWPDFJRUBXRGN-IBVKSMDESA-N 1 0 451.636 4.994 20 0 JJADRO COc1ccc(-c2csc(NC(=O)[C@H](C)N3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC001459799380 1067428703 /nfs/dbraw/zinc/42/87/03/1067428703.db2.gz SRFGTAZLLYSXBM-IBGZPJMESA-N 1 0 456.656 4.734 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001459813988 1067434846 /nfs/dbraw/zinc/43/48/46/1067434846.db2.gz MXKMKIXPUCPNMM-SFGWALBWSA-N 1 0 451.602 4.973 20 0 JJADRO CCC[C@@H]1CN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459815873 1067436006 /nfs/dbraw/zinc/43/60/06/1067436006.db2.gz UUVYWFDPORNZII-VWNXMTODSA-N 1 0 457.565 4.770 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3cccc(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546112067 1067436468 /nfs/dbraw/zinc/43/64/68/1067436468.db2.gz BJVGWZKFUQHQER-ZRZAMGCNSA-N 1 0 469.674 4.681 20 0 JJADRO CC(C)Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C2CC2)cc1 ZINC001459823938 1067440263 /nfs/dbraw/zinc/44/02/63/1067440263.db2.gz FQIACZSUEDNLBH-JOCHJYFZSA-N 1 0 450.551 4.561 20 0 JJADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+][C@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC001459826933 1067441269 /nfs/dbraw/zinc/44/12/69/1067441269.db2.gz UVNGVHMXDUDQFD-XMMPIXPASA-N 1 0 451.611 4.721 20 0 JJADRO CC(C)[C@H]([NH2+]C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)c1cccc(C(F)(F)F)c1 ZINC001459827602 1067441707 /nfs/dbraw/zinc/44/17/07/1067441707.db2.gz PCTJXOXTOKLLDR-ROUUACIJSA-N 1 0 456.505 4.545 20 0 JJADRO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC001459828938 1067442609 /nfs/dbraw/zinc/44/26/09/1067442609.db2.gz TXLDNBXXGXDXLD-MSOLQXFVSA-N 1 0 451.592 4.999 20 0 JJADRO COc1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001459832151 1067444215 /nfs/dbraw/zinc/44/42/15/1067444215.db2.gz FAAFBHWHRUAIPZ-UWJYYQICSA-N 1 0 455.986 4.946 20 0 JJADRO CS(=O)(=O)c1ccc(OCCC[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)cc1 ZINC001459833671 1067445454 /nfs/dbraw/zinc/44/54/54/1067445454.db2.gz CIJZRAZHGMYXBP-OAQYLSRUSA-N 1 0 452.414 4.753 20 0 JJADRO COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)ccc1OCCC(C)C ZINC001459846595 1067452068 /nfs/dbraw/zinc/45/20/68/1067452068.db2.gz YPPBNCLBXLOUPM-CLOONOSVSA-N 1 0 450.620 4.533 20 0 JJADRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459848191 1067453720 /nfs/dbraw/zinc/45/37/20/1067453720.db2.gz GKJYVAYXLMSTGP-ROUUACIJSA-N 1 0 459.575 4.864 20 0 JJADRO C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccc(F)c(Br)c1 ZINC001459850109 1067455006 /nfs/dbraw/zinc/45/50/06/1067455006.db2.gz NGKBCGHXNQIJMZ-SECBINFHSA-N 1 0 459.241 4.773 20 0 JJADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3cccc(-c4csc(C)n4)c3)ccc2NC1=O ZINC001459851784 1067456772 /nfs/dbraw/zinc/45/67/72/1067456772.db2.gz NKHIETCKFWUDAN-SPLOXXLWSA-N 1 0 450.564 4.517 20 0 JJADRO CC(C)[N@H+](CCC(=O)Nc1ccccc1Br)Cc1cnn(Cc2ccccc2)c1 ZINC001459852233 1067457181 /nfs/dbraw/zinc/45/71/81/1067457181.db2.gz BNZQEMGAVKVJEV-UHFFFAOYSA-N 1 0 455.400 4.933 20 0 JJADRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2cc(Br)cs2)cc1OC ZINC001459856955 1067459942 /nfs/dbraw/zinc/45/99/42/1067459942.db2.gz ZMPLBTSEFMRWNH-CQSZACIVSA-N 1 0 455.418 4.617 20 0 JJADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001459857501 1067459950 /nfs/dbraw/zinc/45/99/50/1067459950.db2.gz HWUZTVBKDJNRFK-INIZCTEOSA-N 1 0 452.942 4.675 20 0 JJADRO C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC001459866762 1067464020 /nfs/dbraw/zinc/46/40/20/1067464020.db2.gz VKBUBRGEZILHSX-SGTLLEGYSA-N 1 0 457.290 4.994 20 0 JJADRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001459869421 1067466336 /nfs/dbraw/zinc/46/63/36/1067466336.db2.gz UARKWELHJYCQFH-HOTGVXAUSA-N 1 0 452.555 4.754 20 0 JJADRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC001459869716 1067466367 /nfs/dbraw/zinc/46/63/67/1067466367.db2.gz WFDCIPGTPKIKCB-DEOSSOPVSA-N 1 0 450.510 4.523 20 0 JJADRO CCC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc(C(F)(F)F)c1 ZINC001459876445 1067469389 /nfs/dbraw/zinc/46/93/89/1067469389.db2.gz HSFFFGBXXFLLAS-INIZCTEOSA-N 1 0 453.530 4.814 20 0 JJADRO CC[C@@H]1C[N@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459893120 1067476342 /nfs/dbraw/zinc/47/63/42/1067476342.db2.gz UAHNTHFMQKRCQN-ZJSXRUAMSA-N 1 0 457.659 4.926 20 0 JJADRO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459894749 1067477202 /nfs/dbraw/zinc/47/72/02/1067477202.db2.gz XNNWKSGDEWZEFZ-SMOZNVCYSA-N 1 0 457.659 4.756 20 0 JJADRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1 ZINC001459901839 1067480709 /nfs/dbraw/zinc/48/07/09/1067480709.db2.gz OUQKCAXNUSVQDJ-HNNXBMFYSA-N 1 0 453.564 4.593 20 0 JJADRO CCN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459905240 1067482639 /nfs/dbraw/zinc/48/26/39/1067482639.db2.gz ZWRKEXNUODLSIR-NRFANRHFSA-N 1 0 455.400 4.519 20 0 JJADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1cccc2ccccc21 ZINC001459910011 1067485169 /nfs/dbraw/zinc/48/51/69/1067485169.db2.gz UCPPYOMDCJUSTD-OWOAZTCBSA-N 1 0 451.611 4.738 20 0 JJADRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001459915313 1067488331 /nfs/dbraw/zinc/48/83/31/1067488331.db2.gz RTMYJTYWQCBVEE-CYBMUJFWSA-N 1 0 453.951 4.584 20 0 JJADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cs2)c1 ZINC001459922390 1067492709 /nfs/dbraw/zinc/49/27/09/1067492709.db2.gz DXYKZSADEJPZTG-QFBILLFUSA-N 1 0 459.612 4.722 20 0 JJADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cs2)c1 ZINC001459922814 1067492770 /nfs/dbraw/zinc/49/27/70/1067492770.db2.gz DXYKZSADEJPZTG-VQIMIIECSA-N 1 0 459.612 4.722 20 0 JJADRO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH2+][C@H](CC)[C@H]1CCCO1 ZINC001459927063 1067494783 /nfs/dbraw/zinc/49/47/83/1067494783.db2.gz WUJRRVJMGPVCAQ-SJLPKXTDSA-N 1 0 450.988 4.731 20 0 JJADRO C[C@@H](N[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459928301 1067495396 /nfs/dbraw/zinc/49/53/96/1067495396.db2.gz ZEWZERDDIINCGQ-RZUBCFFCSA-N 1 0 452.668 4.944 20 0 JJADRO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001459930684 1067495958 /nfs/dbraw/zinc/49/59/58/1067495958.db2.gz KVBBFCPJPSXKGD-QFBILLFUSA-N 1 0 450.501 4.779 20 0 JJADRO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001459930665 1067496038 /nfs/dbraw/zinc/49/60/38/1067496038.db2.gz KVBBFCPJPSXKGD-LPHOPBHVSA-N 1 0 450.501 4.779 20 0 JJADRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC001459931889 1067496347 /nfs/dbraw/zinc/49/63/47/1067496347.db2.gz HNPGMEBBAQQFRI-OAQYLSRUSA-N 1 0 452.599 4.873 20 0 JJADRO OC[C@H]([NH2+]C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 ZINC001459933069 1067497391 /nfs/dbraw/zinc/49/73/91/1067497391.db2.gz QRXJYFPSYVXPHO-PKTZIBPZSA-N 1 0 452.422 4.991 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@@H](CN[C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459934881 1067497979 /nfs/dbraw/zinc/49/79/79/1067497979.db2.gz UYKJRROYSQYHQF-NOZRDPDXSA-N 1 0 453.424 4.988 20 0 JJADRO FC(F)(F)c1nnc(N2CCC[N@H+](CCCOc3cccc(C(F)(F)F)c3)CC2)s1 ZINC001459933966 1067498074 /nfs/dbraw/zinc/49/80/74/1067498074.db2.gz XJJYOARRISREJT-UHFFFAOYSA-N 1 0 454.440 4.557 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947891 1067502973 /nfs/dbraw/zinc/50/29/73/1067502973.db2.gz YOHPBGPOBGOQGU-ZJSXRUAMSA-N 1 0 456.030 4.899 20 0 JJADRO COc1cc(OC)c(NC(=O)CC[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)cc1Cl ZINC001459949032 1067503557 /nfs/dbraw/zinc/50/35/57/1067503557.db2.gz BYUJOZFJKCBBOK-LBPRGKRZSA-N 1 0 452.889 4.781 20 0 JJADRO CC(C)[C@](C)([NH2+]CC(=O)N[C@H](C)Cc1c(F)cccc1F)c1ccc(Br)cc1 ZINC001459949289 1067503835 /nfs/dbraw/zinc/50/38/35/1067503835.db2.gz KPNDQVIWWXXYLI-QRQCRPRQSA-N 1 0 453.371 4.936 20 0 JJADRO Cc1cc(C)c(CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1Br ZINC001459958138 1067507098 /nfs/dbraw/zinc/50/70/98/1067507098.db2.gz HSGFNLNJORFUFJ-UHFFFAOYSA-N 1 0 459.428 4.706 20 0 JJADRO Cc1cc(Br)c(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1Cl ZINC001459959666 1067508137 /nfs/dbraw/zinc/50/81/37/1067508137.db2.gz LTQMBPCGRURZMB-UHFFFAOYSA-N 1 0 451.792 4.814 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3C[C@]3(C)c3cccc(Br)c3)cc2)CC1 ZINC001459961062 1067508374 /nfs/dbraw/zinc/50/83/74/1067508374.db2.gz PCQHHFHGFAMFOW-ISKFKSNPSA-N 1 0 457.412 4.516 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cc1 ZINC001459991890 1067517863 /nfs/dbraw/zinc/51/78/63/1067517863.db2.gz HZYCJUDSPAEZSV-CYFREDJKSA-N 1 0 458.562 4.754 20 0 JJADRO CS(=O)(=O)c1ccc(OCCC[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)cc1 ZINC001459993961 1067518794 /nfs/dbraw/zinc/51/87/94/1067518794.db2.gz HJURTUGZWVLYPS-FQEVSTJZSA-N 1 0 456.377 4.502 20 0 JJADRO Cc1cc(NC(=O)C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)n(C(C)(C)C)n1 ZINC001459993621 1067518869 /nfs/dbraw/zinc/51/88/69/1067518869.db2.gz RACHFKOYNWAYAR-GOSISDBHSA-N 1 0 451.384 4.918 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC001459996452 1067519978 /nfs/dbraw/zinc/51/99/78/1067519978.db2.gz RRDCTSVZWQEJQD-FYYLOGMGSA-N 1 0 457.659 4.678 20 0 JJADRO O=C(C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001459999886 1067521487 /nfs/dbraw/zinc/52/14/87/1067521487.db2.gz VGTVNCXYBQNJTD-GOSISDBHSA-N 1 0 457.246 4.589 20 0 JJADRO CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C(C)(C)C1(C)C ZINC001546113176 1067521508 /nfs/dbraw/zinc/52/15/08/1067521508.db2.gz RHTMCHZALKUYEF-BHDDXSALSA-N 1 0 454.655 4.797 20 0 JJADRO CCOc1ccccc1CN1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001460004036 1067523207 /nfs/dbraw/zinc/52/32/07/1067523207.db2.gz JQYSXKBEQQOBDJ-DNVJHFABSA-N 1 0 459.675 4.923 20 0 JJADRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460018867 1067530211 /nfs/dbraw/zinc/53/02/11/1067530211.db2.gz KLMHRPMAIJLLHK-DFBJGRDBSA-N 1 0 455.624 4.612 20 0 JJADRO O=C(C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1)NC1CCC2(CC1)OCCO2 ZINC001460025498 1067532594 /nfs/dbraw/zinc/53/25/94/1067532594.db2.gz XTVCMLYRQWHJHA-QFIPXVFZSA-N 1 0 454.533 4.718 20 0 JJADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C3CCCC3)cs2)c1 ZINC001460030488 1067534089 /nfs/dbraw/zinc/53/40/89/1067534089.db2.gz NCGXEBRFLKMOEM-FQEVSTJZSA-N 1 0 459.612 4.770 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)C1 ZINC001460036883 1067535774 /nfs/dbraw/zinc/53/57/74/1067535774.db2.gz XSVJBKDGBPLBGG-HSZRJFAPSA-N 1 0 459.631 4.662 20 0 JJADRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042108 1067537207 /nfs/dbraw/zinc/53/72/07/1067537207.db2.gz RDYPNKHCKMNTLC-DLTYFMDKSA-N 1 0 453.652 4.964 20 0 JJADRO COc1cccc(S(=O)(=O)CC[NH2+][C@@](C)(CC(C)C)c2cccc(Br)c2)c1 ZINC001460052326 1067539879 /nfs/dbraw/zinc/53/98/79/1067539879.db2.gz CSQXGYIEUOKWPX-NRFANRHFSA-N 1 0 454.430 4.783 20 0 JJADRO CCC1CCC([N@H+](CCO)CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)CC1 ZINC001460057913 1067541491 /nfs/dbraw/zinc/54/14/91/1067541491.db2.gz ZNINTAGKZCEQTQ-HCPAQRILSA-N 1 0 458.002 4.874 20 0 JJADRO C[C@H](NC(=O)C[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccc(Cl)cc1Cl ZINC001460062313 1067542807 /nfs/dbraw/zinc/54/28/07/1067542807.db2.gz OYYVDVVALIOLIP-OHNQJVKOSA-N 1 0 458.430 4.794 20 0 JJADRO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2CCOc2cc(F)cc(Br)c2)C1 ZINC001460068164 1067545247 /nfs/dbraw/zinc/54/52/47/1067545247.db2.gz DIPZLIZLNYYEBS-VQIMIIECSA-N 1 0 457.384 4.690 20 0 JJADRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460073794 1067547194 /nfs/dbraw/zinc/54/71/94/1067547194.db2.gz SYALRJSEMJCGLF-LYHRCORUSA-N 1 0 456.549 4.984 20 0 JJADRO FC(F)(F)c1ccc(C[C@]2([NH2+]Cc3cn4cc(Br)ccc4n3)CCOC2)cc1 ZINC001460075340 1067547377 /nfs/dbraw/zinc/54/73/77/1067547377.db2.gz ZSFAEVWKBYGNIP-LJQANCHMSA-N 1 0 454.290 4.607 20 0 JJADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC1 ZINC001460075840 1067547779 /nfs/dbraw/zinc/54/77/79/1067547779.db2.gz PWKCRXBEXHCYBG-UHFFFAOYSA-N 1 0 452.864 4.732 20 0 JJADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC001460077318 1067548093 /nfs/dbraw/zinc/54/80/93/1067548093.db2.gz APTQLFWSBHUPTQ-DVECYGJZSA-N 1 0 456.652 4.792 20 0 JJADRO CC[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(OC)c(OC)c1 ZINC001460076710 1067548167 /nfs/dbraw/zinc/54/81/67/1067548167.db2.gz FUZIIWPTCPKVDP-HFZDXXHNSA-N 1 0 450.604 4.980 20 0 JJADRO CC[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(OC)c(OC)c1 ZINC001460076714 1067548182 /nfs/dbraw/zinc/54/81/82/1067548182.db2.gz FUZIIWPTCPKVDP-LVXARBLLSA-N 1 0 450.604 4.980 20 0 JJADRO Brc1ccc(C[N@@H+](CCc2ccccc2Br)CCn2ccnc2)o1 ZINC001460086330 1067550413 /nfs/dbraw/zinc/55/04/13/1067550413.db2.gz NRPMCUBGYGODLE-UHFFFAOYSA-N 1 0 453.178 4.746 20 0 JJADRO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH2+][C@H](C)C2CCCC2)CCCC3)cc1 ZINC001460091784 1067552133 /nfs/dbraw/zinc/55/21/33/1067552133.db2.gz CJCJNNHDJAGXLS-MRXNPFEDSA-N 1 0 455.624 4.995 20 0 JJADRO CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC001460094333 1067553198 /nfs/dbraw/zinc/55/31/98/1067553198.db2.gz QMHIIOOPIPGDPX-IIBYNOLFSA-N 1 0 452.437 4.656 20 0 JJADRO CCOc1cccc(/C=C/C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)c1 ZINC001460096388 1067553808 /nfs/dbraw/zinc/55/38/08/1067553808.db2.gz RJZGCVLLGOCEEI-VGMNTSGFSA-N 1 0 458.400 4.640 20 0 JJADRO CCOc1cccc(/C=C\C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)c1 ZINC001460096381 1067553846 /nfs/dbraw/zinc/55/38/46/1067553846.db2.gz RJZGCVLLGOCEEI-SDMNGIDPSA-N 1 0 458.400 4.640 20 0 JJADRO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC001460114408 1067557948 /nfs/dbraw/zinc/55/79/48/1067557948.db2.gz ZKCYAUIXYHXOEW-JOCHJYFZSA-N 1 0 454.958 4.628 20 0 JJADRO CCc1cc2c(C[N@@H+]3CCC[C@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460113822 1067557990 /nfs/dbraw/zinc/55/79/90/1067557990.db2.gz YXNNLOKBAJUCLC-OALUTQOASA-N 1 0 456.583 4.530 20 0 JJADRO CN(C)c1cc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)ncc1Br ZINC001460120506 1067559346 /nfs/dbraw/zinc/55/93/46/1067559346.db2.gz VRDRHFLSYILBRQ-UHFFFAOYSA-N 1 0 453.384 4.794 20 0 JJADRO C[C@H](NC(=O)C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001460130118 1067560961 /nfs/dbraw/zinc/56/09/61/1067560961.db2.gz ZVGBXNZPUIEQMC-ZLGUVYLKSA-N 1 0 450.501 4.736 20 0 JJADRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@@H]3O)C2)cc1 ZINC001460136796 1067562415 /nfs/dbraw/zinc/56/24/15/1067562415.db2.gz SRAHMYOFOHKAJM-AMDXRBSFSA-N 1 0 452.595 4.807 20 0 JJADRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3O)C2)cc1 ZINC001460136803 1067562441 /nfs/dbraw/zinc/56/24/41/1067562441.db2.gz SRAHMYOFOHKAJM-KSNOWIBYSA-N 1 0 452.595 4.807 20 0 JJADRO Ic1cccc(C[C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)c1 ZINC001460137505 1067562821 /nfs/dbraw/zinc/56/28/21/1067562821.db2.gz RXPHHTIHHYVSDJ-GOSISDBHSA-N 1 0 455.343 4.813 20 0 JJADRO O=C(C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC001460143083 1067563941 /nfs/dbraw/zinc/56/39/41/1067563941.db2.gz VKDDQFIZNYGKBO-GGAORHGYSA-N 1 0 452.492 4.905 20 0 JJADRO CCC1(CC)CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC001546114186 1067564606 /nfs/dbraw/zinc/56/46/06/1067564606.db2.gz YFHKVIRAVBDGGL-QHCPKHFHSA-N 1 0 485.742 4.979 20 0 JJADRO COc1ccc(C)cc1NC(=O)CN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460149569 1067565251 /nfs/dbraw/zinc/56/52/51/1067565251.db2.gz FNDMRWGUIPOJMH-VWLOTQADSA-N 1 0 458.606 4.504 20 0 JJADRO CCOC(=O)[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460160031 1067567656 /nfs/dbraw/zinc/56/76/56/1067567656.db2.gz UJEPXXQBQNGEBZ-SMIHKQSGSA-N 1 0 458.643 4.910 20 0 JJADRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC001460167343 1067568341 /nfs/dbraw/zinc/56/83/41/1067568341.db2.gz SCPPPTNHYALERZ-QFIPXVFZSA-N 1 0 457.393 4.889 20 0 JJADRO COc1ccc(-c2csc(NC(=O)[C@H](C)[NH2+][C@H](C)c3ccc(OC)c(OC)c3C)n2)cc1 ZINC001460171825 1067569545 /nfs/dbraw/zinc/56/95/45/1067569545.db2.gz BNRGCUQDQCTNGQ-CVEARBPZSA-N 1 0 455.580 4.822 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001460177096 1067571491 /nfs/dbraw/zinc/57/14/91/1067571491.db2.gz IBWKMUXNVWZFHA-JFTIXFDTSA-N 1 0 471.642 4.516 20 0 JJADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001460181520 1067573081 /nfs/dbraw/zinc/57/30/81/1067573081.db2.gz QDBQHBNRZKURIX-ZHRRBRCNSA-N 1 0 455.352 4.892 20 0 JJADRO CC(C)(C)OC(=O)NCCC[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC001460183185 1067573384 /nfs/dbraw/zinc/57/33/84/1067573384.db2.gz DFESCTJFBHWKQK-QHCPKHFHSA-N 1 0 451.611 4.818 20 0 JJADRO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccccc1 ZINC001460184121 1067573730 /nfs/dbraw/zinc/57/37/30/1067573730.db2.gz ITRLVIJJBGOTAO-RUZDIDTESA-N 1 0 453.627 4.655 20 0 JJADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 ZINC001460194621 1067576037 /nfs/dbraw/zinc/57/60/37/1067576037.db2.gz HXHCPILJMWAQAN-VWLOTQADSA-N 1 0 458.537 4.841 20 0 JJADRO O=C(C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001460211384 1067580405 /nfs/dbraw/zinc/58/04/05/1067580405.db2.gz CECAQFUOBYULEX-AREMUKBSSA-N 1 0 457.574 4.761 20 0 JJADRO O=C(C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001460213574 1067581098 /nfs/dbraw/zinc/58/10/98/1067581098.db2.gz JDQJDVDTSUUVKO-QFIPXVFZSA-N 1 0 457.546 4.910 20 0 JJADRO O=C(C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1)Nc1ccc(Br)cc1Cl ZINC001460218046 1067582334 /nfs/dbraw/zinc/58/23/34/1067582334.db2.gz WLYJYRPKEOKAHM-FQEVSTJZSA-N 1 0 451.792 4.925 20 0 JJADRO CCOC(=O)Oc1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001460228748 1067584703 /nfs/dbraw/zinc/58/47/03/1067584703.db2.gz IDHFIJBQXFWHHC-XMMPIXPASA-N 1 0 450.579 4.985 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH+]3CCC(Cc4cc(F)ccc4F)CC3)C2)C1 ZINC001460232584 1067585980 /nfs/dbraw/zinc/58/59/80/1067585980.db2.gz DKJICZWAHYUSBP-SQJMNOBHSA-N 1 0 450.570 4.635 20 0 JJADRO CC(C)N(C)c1ccc(NC(=O)CC[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1F ZINC001460236500 1067587015 /nfs/dbraw/zinc/58/70/15/1067587015.db2.gz PKRRNEFWDJFKNX-RBBKRZOGSA-N 1 0 480.550 4.619 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCS1 ZINC001546115095 1067592533 /nfs/dbraw/zinc/59/25/33/1067592533.db2.gz RQWQALNYAWATKB-NRFANRHFSA-N 1 0 487.714 4.567 20 0 JJADRO COc1cc(OC)c(NC(=O)CC[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)cc1Cl ZINC001460259283 1067592987 /nfs/dbraw/zinc/59/29/87/1067592987.db2.gz PVGYLJUTNCNAMG-MRXNPFEDSA-N 1 0 454.995 4.520 20 0 JJADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC001460273442 1067595262 /nfs/dbraw/zinc/59/52/62/1067595262.db2.gz URSMUTJABWCBJH-DVECYGJZSA-N 1 0 451.636 4.676 20 0 JJADRO Cc1ccc(-c2noc(CCC[NH2+][C@@H](CCO)c3cccc(OC(F)(F)F)c3)n2)cc1F ZINC001460289239 1067599633 /nfs/dbraw/zinc/59/96/33/1067599633.db2.gz IWISFHXZNHENQA-IBGZPJMESA-N 1 0 453.436 4.729 20 0 JJADRO O=C(C[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1)Nc1ccc(Br)cc1Cl ZINC001460297379 1067600928 /nfs/dbraw/zinc/60/09/28/1067600928.db2.gz WTJMPAVOEVXVHA-HXUWFJFHSA-N 1 0 451.792 4.704 20 0 JJADRO COc1cncc(/C=C/CC[N@H+](Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001460303682 1067602731 /nfs/dbraw/zinc/60/27/31/1067602731.db2.gz GBCFBVHFLSISEL-RMKNXTFCSA-N 1 0 452.599 4.790 20 0 JJADRO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303259 1067602772 /nfs/dbraw/zinc/60/27/72/1067602772.db2.gz XYMYYGBPCBGMLR-VCFYHUQZSA-N 1 0 452.570 4.545 20 0 JJADRO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303257 1067602809 /nfs/dbraw/zinc/60/28/09/1067602809.db2.gz XYMYYGBPCBGMLR-LDLZHSJESA-N 1 0 452.570 4.545 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303256 1067602897 /nfs/dbraw/zinc/60/28/97/1067602897.db2.gz XYMYYGBPCBGMLR-ABQRKTDGSA-N 1 0 452.570 4.545 20 0 JJADRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1C ZINC001460308081 1067604340 /nfs/dbraw/zinc/60/43/40/1067604340.db2.gz MQCQTKHJUDWUEI-WOIUINJBSA-N 1 0 455.599 4.723 20 0 JJADRO CC(C)(C)OC(=O)CC1([NH2+]CCCN2CCN(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC001460312712 1067605438 /nfs/dbraw/zinc/60/54/38/1067605438.db2.gz ZBVOPPJRDLVDGA-UHFFFAOYSA-N 1 0 450.067 4.876 20 0 JJADRO CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001460319882 1067607331 /nfs/dbraw/zinc/60/73/31/1067607331.db2.gz ZCKIHPIXFVLNNW-GXRSIYKFSA-N 1 0 453.023 4.954 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC001460325977 1067608555 /nfs/dbraw/zinc/60/85/55/1067608555.db2.gz PVISODMUVTZZPG-RUZDIDTESA-N 1 0 450.623 4.582 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC001460327151 1067608704 /nfs/dbraw/zinc/60/87/04/1067608704.db2.gz UKXXGIUDXWICOS-IEJAEOBLSA-N 1 0 479.640 4.788 20 0 JJADRO Brc1ccc(OCCCCN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001460337493 1067610882 /nfs/dbraw/zinc/61/08/82/1067610882.db2.gz LMQILSDBFQWIOU-DNQXCXABSA-N 1 0 459.428 4.583 20 0 JJADRO Brc1ccc(OCCCCN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001460337491 1067611002 /nfs/dbraw/zinc/61/10/02/1067611002.db2.gz LMQILSDBFQWIOU-BJKOFHAPSA-N 1 0 459.428 4.583 20 0 JJADRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460338359 1067611472 /nfs/dbraw/zinc/61/14/72/1067611472.db2.gz MGJAYJKLFPHYRH-YWZLYKJASA-N 1 0 451.430 4.926 20 0 JJADRO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460343313 1067612918 /nfs/dbraw/zinc/61/29/18/1067612918.db2.gz ZGMSFZKEMJREQR-XXBNENTESA-N 1 0 458.647 4.549 20 0 JJADRO O=C(c1cncc(C(F)(F)F)c1)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460347485 1067613765 /nfs/dbraw/zinc/61/37/65/1067613765.db2.gz DXNJTOYDWYQFPR-HSZRJFAPSA-N 1 0 454.496 4.802 20 0 JJADRO CC(C)COc1ncccc1C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460350575 1067614535 /nfs/dbraw/zinc/61/45/35/1067614535.db2.gz RNTXXIXYNVZKAS-RUZDIDTESA-N 1 0 458.606 4.818 20 0 JJADRO COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001460358726 1067617362 /nfs/dbraw/zinc/61/73/62/1067617362.db2.gz GVCGXFMURWQRBZ-ISKFKSNPSA-N 1 0 458.643 4.898 20 0 JJADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc1 ZINC001460366806 1067619419 /nfs/dbraw/zinc/61/94/19/1067619419.db2.gz ZSUHKLZPATXMOA-UHFFFAOYSA-N 1 0 457.372 4.608 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC001460366883 1067619424 /nfs/dbraw/zinc/61/94/24/1067619424.db2.gz MPAJIZHOILJCKR-YVWKXTFCSA-N 1 0 456.599 4.841 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1(c3ccccc3)CCCCC1)C2 ZINC001460367212 1067619457 /nfs/dbraw/zinc/61/94/57/1067619457.db2.gz ZQIYLDJUWLKDCN-FIPFOOKPSA-N 1 0 469.670 4.632 20 0 JJADRO CCc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]3CCCC[C@@H]32)c2cccs2)cc1 ZINC001460368414 1067620001 /nfs/dbraw/zinc/62/00/01/1067620001.db2.gz XXGSVCXIABOYNP-KXEAFHOWSA-N 1 0 454.636 4.570 20 0 JJADRO COC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC001460392516 1067625325 /nfs/dbraw/zinc/62/53/25/1067625325.db2.gz SLWCNKDHMJVOEW-IFMALSPDSA-N 1 0 460.521 4.634 20 0 JJADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001460404698 1067627710 /nfs/dbraw/zinc/62/77/10/1067627710.db2.gz YCBSTVXXAXPMFC-IRFPFTSISA-N 1 0 457.412 4.918 20 0 JJADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001460408785 1067629209 /nfs/dbraw/zinc/62/92/09/1067629209.db2.gz NEDFCVFTLKWWPI-WOJBJXKFSA-N 1 0 476.415 4.736 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC001460412340 1067630120 /nfs/dbraw/zinc/63/01/20/1067630120.db2.gz UTRUMPHDZGWMPS-JWQCQUIFSA-N 1 0 481.612 4.700 20 0 JJADRO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413016 1067630228 /nfs/dbraw/zinc/63/02/28/1067630228.db2.gz UDOVNMUFFQQLEB-FUHWJXTLSA-N 1 0 451.558 4.651 20 0 JJADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c(C)c1 ZINC001460423522 1067632224 /nfs/dbraw/zinc/63/22/24/1067632224.db2.gz ORHGEGKGIHIPBW-XMMPIXPASA-N 1 0 459.428 4.603 20 0 JJADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 ZINC001460484524 1067643662 /nfs/dbraw/zinc/64/36/62/1067643662.db2.gz GCXLUSOZFJZLMB-RTWAWAEBSA-N 1 0 453.631 4.716 20 0 JJADRO O=C(CC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1)NCc1ccccc1Cl ZINC001460491067 1067644806 /nfs/dbraw/zinc/64/48/06/1067644806.db2.gz OVXLBLFUBHOFLI-SFHVURJKSA-N 1 0 453.833 4.975 20 0 JJADRO CC(C)C[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1cccc(C(F)(F)F)c1 ZINC001460514223 1067647154 /nfs/dbraw/zinc/64/71/54/1067647154.db2.gz JKYBOFCVPXXBKD-UHFFFAOYSA-N 1 0 451.508 4.651 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)[NH+](CC)CC)cc1 ZINC001460556400 1067655216 /nfs/dbraw/zinc/65/52/16/1067655216.db2.gz ODRCGCPADJXDEG-XUZZJYLKSA-N 1 0 453.652 4.523 20 0 JJADRO CN(Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460555509 1067655275 /nfs/dbraw/zinc/65/52/75/1067655275.db2.gz HVGNMKKGFLSSFN-HHHXNRCGSA-N 1 0 452.545 4.613 20 0 JJADRO Cc1cc(CC(C)(C)NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)ccc1Br ZINC001460587614 1067663219 /nfs/dbraw/zinc/66/32/19/1067663219.db2.gz WJVLXYWQZFYQFJ-LCYFTJDESA-N 1 0 459.428 4.849 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@](C)(CC)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460600652 1067667092 /nfs/dbraw/zinc/66/70/92/1067667092.db2.gz FUWYTBJGFLCVKY-XUZZJYLKSA-N 1 0 459.949 4.565 20 0 JJADRO COc1ccc(C(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c2ccc(OC)cc2)cc1 ZINC001460618157 1067674487 /nfs/dbraw/zinc/67/44/87/1067674487.db2.gz SLHRRBMYZNAMFY-SQHAQQRYSA-N 1 0 480.992 4.683 20 0 JJADRO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCC(C)([NH+](C)C)CC1 ZINC001460636055 1067680510 /nfs/dbraw/zinc/68/05/10/1067680510.db2.gz TWSMTWCBCJEXCO-UHFFFAOYSA-N 1 0 457.640 4.563 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](CCc3ccc4c(c3)OC(F)(F)O4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460651866 1067687148 /nfs/dbraw/zinc/68/71/48/1067687148.db2.gz PNUJITIEWJQHIY-VQTJNVASSA-N 1 0 476.520 4.552 20 0 JJADRO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001460662456 1067692434 /nfs/dbraw/zinc/69/24/34/1067692434.db2.gz UAUBGODNGNKDNI-RTBURBONSA-N 1 0 453.421 4.864 20 0 JJADRO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001460670197 1067694640 /nfs/dbraw/zinc/69/46/40/1067694640.db2.gz JVBBZWZKEHFTNK-IFMALSPDSA-N 1 0 450.652 4.630 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001460670543 1067694653 /nfs/dbraw/zinc/69/46/53/1067694653.db2.gz MFQWNNPXPBICOK-ZEQKJWHPSA-N 1 0 459.638 4.803 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC001460674759 1067696606 /nfs/dbraw/zinc/69/66/06/1067696606.db2.gz FCFBFSLWCKWLMQ-AVRDEDQJSA-N 1 0 455.437 4.745 20 0 JJADRO CO[C@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001460682597 1067700304 /nfs/dbraw/zinc/70/03/04/1067700304.db2.gz YMPVSUFVGKHTPM-PXNSSMCTSA-N 1 0 451.430 4.617 20 0 JJADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC001460682697 1067700565 /nfs/dbraw/zinc/70/05/65/1067700565.db2.gz ZLRXNQCKMJFRLS-CTNGQTDRSA-N 1 0 457.412 4.734 20 0 JJADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001460682699 1067700746 /nfs/dbraw/zinc/70/07/46/1067700746.db2.gz ZLRXNQCKMJFRLS-PZJWPPBQSA-N 1 0 457.412 4.734 20 0 JJADRO CCC1([NH+]2CCCCC2)CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC001460708674 1067705714 /nfs/dbraw/zinc/70/57/14/1067705714.db2.gz MGXSYYDGYUREGU-GOSISDBHSA-N 1 0 459.856 4.573 20 0 JJADRO COC(=O)c1coc(/C=C/C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001460730149 1067711116 /nfs/dbraw/zinc/71/11/16/1067711116.db2.gz UQFFSTPNLRYDMZ-ZEWVGQQJSA-N 1 0 450.579 4.763 20 0 JJADRO COC(=O)c1coc(/C=C\C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001460729737 1067711302 /nfs/dbraw/zinc/71/13/02/1067711302.db2.gz UQFFSTPNLRYDMZ-MQCQLYSJSA-N 1 0 450.579 4.763 20 0 JJADRO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)CCCC2 ZINC001460747958 1067714918 /nfs/dbraw/zinc/71/49/18/1067714918.db2.gz XIJMHYMYDSAOFI-GFCCVEGCSA-N 1 0 456.486 4.601 20 0 JJADRO CCO[C@H](C)c1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC001460758549 1067718198 /nfs/dbraw/zinc/71/81/98/1067718198.db2.gz AORSXTLYGVGYFO-VOQZNFBZSA-N 1 0 453.583 4.778 20 0 JJADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC001460762593 1067718950 /nfs/dbraw/zinc/71/89/50/1067718950.db2.gz MQYFMQMNHMHAQJ-MRXNPFEDSA-N 1 0 457.368 4.769 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](C[C@H](O)c1ccccc1Br)C2 ZINC001460777570 1067721498 /nfs/dbraw/zinc/72/14/98/1067721498.db2.gz GKAUGMOXKYTUHF-UGKGYDQZSA-N 1 0 453.421 4.596 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC001460808729 1067727821 /nfs/dbraw/zinc/72/78/21/1067727821.db2.gz HJBNCQOGOAPOMF-MRXNPFEDSA-N 1 0 453.489 4.905 20 0 JJADRO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(c2c[nH]c3ccc(C(=O)OC)cc32)CC1 ZINC001460811468 1067728249 /nfs/dbraw/zinc/72/82/49/1067728249.db2.gz ILXCLUPGLHARMQ-QFIPXVFZSA-N 1 0 452.555 4.628 20 0 JJADRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](C[C@H]4CC[C@@H](NC(=O)OC(C)(C)C)C4)CC3)c2c1 ZINC001460819243 1067729612 /nfs/dbraw/zinc/72/96/12/1067729612.db2.gz ZARXMGRGPAYGIA-FXAWDEMLSA-N 1 0 455.599 4.827 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2CCCN(Cc3ccccc3)CCOCC2)CC1 ZINC001460838366 1067732379 /nfs/dbraw/zinc/73/23/79/1067732379.db2.gz UPIAEBXNOJBDPQ-UHFFFAOYSA-N 1 0 459.675 4.638 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](C[C@@H](O)c1cccc(F)c1)Cc1ccccc1O2 ZINC001460844091 1067733530 /nfs/dbraw/zinc/73/35/30/1067733530.db2.gz PJDQMCAOCCKIKJ-JOCHJYFZSA-N 1 0 456.558 4.523 20 0 JJADRO CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001460854265 1067735227 /nfs/dbraw/zinc/73/52/27/1067735227.db2.gz BVDXMSAWTWFMAB-DEOSSOPVSA-N 1 0 459.675 4.540 20 0 JJADRO Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001460863846 1067737227 /nfs/dbraw/zinc/73/72/27/1067737227.db2.gz XHHBMZNKSDWXJK-XMMPIXPASA-N 1 0 457.659 4.825 20 0 JJADRO Cc1ccc(NC(=O)NC(=O)CN[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(C)c1 ZINC001460876668 1067740472 /nfs/dbraw/zinc/74/04/72/1067740472.db2.gz XEMKVQPFRGQORB-ABYGYWHVSA-N 1 0 470.617 4.599 20 0 JJADRO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C1 ZINC001460910708 1067746642 /nfs/dbraw/zinc/74/66/42/1067746642.db2.gz ZIAAKITXJRJITF-JXALWOEJSA-N 1 0 459.590 4.765 20 0 JJADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](C)c2csc3ccccc32)ccc1C ZINC001460913881 1067746999 /nfs/dbraw/zinc/74/69/99/1067746999.db2.gz JNPBFRAJZFNAEW-KRWDZBQOSA-N 1 0 459.637 4.530 20 0 JJADRO CCOc1ccc(CC[N@H+](C)[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC001460921113 1067748366 /nfs/dbraw/zinc/74/83/66/1067748366.db2.gz UZRFUFNEBBYOFP-GOSISDBHSA-N 1 0 451.592 4.901 20 0 JJADRO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC001460930782 1067749970 /nfs/dbraw/zinc/74/99/70/1067749970.db2.gz BQQDOSIBUXXPQK-LJQANCHMSA-N 1 0 451.592 4.518 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nnc(-c3c(Cl)cccc3Cl)o1)C2 ZINC001460931887 1067750457 /nfs/dbraw/zinc/75/04/57/1067750457.db2.gz QVARCRUDFYFBMV-MJBXVCDLSA-N 1 0 453.370 4.921 20 0 JJADRO CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC(OCc3ccc(Br)cc3)CC2)C1 ZINC001460973372 1067755263 /nfs/dbraw/zinc/75/52/63/1067755263.db2.gz MZVBYHIKXJSJBA-UHFFFAOYSA-N 1 0 453.421 4.687 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]12C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]1CCCC2 ZINC001460978802 1067755985 /nfs/dbraw/zinc/75/59/85/1067755985.db2.gz VNWPFBSNMWDKGM-NBGIEHNGSA-N 1 0 451.652 4.650 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc2cc(Br)ccc2c1 ZINC001460983446 1067756811 /nfs/dbraw/zinc/75/68/11/1067756811.db2.gz QBSKGTJWILJMEC-ISKFKSNPSA-N 1 0 467.407 4.869 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1csc(-c2ccc(CC)cc2)n1 ZINC001460983524 1067756855 /nfs/dbraw/zinc/75/68/55/1067756855.db2.gz RMMCRIHFIRTBGE-ILBGXUMGSA-N 1 0 463.647 4.568 20 0 JJADRO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460983206 1067756962 /nfs/dbraw/zinc/75/69/62/1067756962.db2.gz UZHOINNSUQTIDM-IRXDYDNUSA-N 1 0 451.558 4.699 20 0 JJADRO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460983201 1067756989 /nfs/dbraw/zinc/75/69/89/1067756989.db2.gz UZHOINNSUQTIDM-DLBZAZTESA-N 1 0 451.558 4.699 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](C[NH+]3CCCC3)c3ccccc3)o2)C1 ZINC001460993010 1067759387 /nfs/dbraw/zinc/75/93/87/1067759387.db2.gz QNSLCDDUTWEGRS-ISKFKSNPSA-N 1 0 453.627 4.764 20 0 JJADRO COCc1ccc(C[NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)cc1 ZINC001460995978 1067759917 /nfs/dbraw/zinc/75/99/17/1067759917.db2.gz ZKGYAEJNIBTVHZ-UHFFFAOYSA-N 1 0 452.595 4.997 20 0 JJADRO CN1CCN([C@@H](C[NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)c2cccs2)CC1 ZINC001461003479 1067761021 /nfs/dbraw/zinc/76/10/21/1067761021.db2.gz OVBUMAAEUJIFHX-DEOSSOPVSA-N 1 0 457.590 4.684 20 0 JJADRO CC(C)[C@@H](C[NH2+]Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)N1CCOCC1 ZINC001461014261 1067762305 /nfs/dbraw/zinc/76/23/05/1067762305.db2.gz SGLQAMUCXYSUDT-XMMPIXPASA-N 1 0 454.615 4.542 20 0 JJADRO COc1ccc([C@H](C[NH2+]Cc2cc(Cl)c(OC(C)C)cc2Cl)N2CCOCC2)cc1 ZINC001461015293 1067762376 /nfs/dbraw/zinc/76/23/76/1067762376.db2.gz UUDWCBFHJLBTFW-QFIPXVFZSA-N 1 0 453.410 4.952 20 0 JJADRO CCCOc1c(Cl)cc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cc1OC ZINC001461018131 1067762970 /nfs/dbraw/zinc/76/29/70/1067762970.db2.gz BFRKTTJOOUMNQY-OAQYLSRUSA-N 1 0 453.410 4.954 20 0 JJADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC001461018197 1067763075 /nfs/dbraw/zinc/76/30/75/1067763075.db2.gz FGXJSPTUJCRMLV-DEOSSOPVSA-N 1 0 453.030 4.871 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)CCS1 ZINC001546120951 1067765796 /nfs/dbraw/zinc/76/57/96/1067765796.db2.gz FQJFZMLFFVZIKQ-IBGZPJMESA-N 1 0 461.651 4.593 20 0 JJADRO CN(C(=O)c1cc2cc(Br)cc(Br)c2o1)C(C)(C)C[NH+]1CCCC1 ZINC001461044197 1067768557 /nfs/dbraw/zinc/76/85/57/1067768557.db2.gz UUTSSKATAGIOCD-UHFFFAOYSA-N 1 0 458.194 4.904 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)C(C)(C)C[NH+]1CCCC1 ZINC001461044231 1067768656 /nfs/dbraw/zinc/76/86/56/1067768656.db2.gz WMRLZVPIJRPVRM-UHFFFAOYSA-N 1 0 458.400 4.648 20 0 JJADRO CCOc1cc(C[NH2+][C@H](C)CN2CCOCC2)ccc1OCc1c(Cl)cccc1Cl ZINC001461052590 1067770717 /nfs/dbraw/zinc/77/07/17/1067770717.db2.gz MPLJRXIMRABIQK-QGZVFWFLSA-N 1 0 453.410 4.781 20 0 JJADRO CC[C@H]([NH2+]Cc1ccc(Br)cc1SC)c1ccccc1OCC(=O)N(C)C ZINC001461064841 1067774322 /nfs/dbraw/zinc/77/43/22/1067774322.db2.gz QXXOTQRYHRXNNP-SFHVURJKSA-N 1 0 451.430 4.879 20 0 JJADRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001461081628 1067777671 /nfs/dbraw/zinc/77/76/71/1067777671.db2.gz GMDWOYADJAZHBD-UHFFFAOYSA-N 1 0 452.599 4.800 20 0 JJADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(F)(F)F ZINC001461091421 1067780224 /nfs/dbraw/zinc/78/02/24/1067780224.db2.gz RJSASBXSEVANIO-FQEVSTJZSA-N 1 0 457.855 4.935 20 0 JJADRO COc1ccc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)c(Br)c1 ZINC001461093687 1067780618 /nfs/dbraw/zinc/78/06/18/1067780618.db2.gz FOCHMOBFMXOAJD-AWEZNQCLSA-N 1 0 454.206 4.836 20 0 JJADRO Clc1ccccc1N1CCN(CCC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC001461104472 1067782706 /nfs/dbraw/zinc/78/27/06/1067782706.db2.gz GYHCXYPYKMUWEJ-UHFFFAOYSA-N 1 0 455.071 4.884 20 0 JJADRO FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3cnc4ccc(Br)cn34)cc2)n1 ZINC001461105486 1067782728 /nfs/dbraw/zinc/78/27/28/1067782728.db2.gz QCZMOCZKJXENBO-UHFFFAOYSA-N 1 0 450.262 4.591 20 0 JJADRO COc1ccc(CNC(=O)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)cc1 ZINC001461107121 1067783070 /nfs/dbraw/zinc/78/30/70/1067783070.db2.gz VEZXSGFGSZQMGT-UHFFFAOYSA-N 1 0 454.574 4.571 20 0 JJADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001461110183 1067783750 /nfs/dbraw/zinc/78/37/50/1067783750.db2.gz CDWQYEADTVIOSO-UYAOXDASSA-N 1 0 456.583 4.677 20 0 JJADRO CC(C)N(C(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461117695 1067784870 /nfs/dbraw/zinc/78/48/70/1067784870.db2.gz YBVSXQUUFHNKCV-QHCPKHFHSA-N 1 0 452.595 4.532 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH2+]CCC(=O)N3CCCCCC3)n2)cc1 ZINC001461121402 1067785296 /nfs/dbraw/zinc/78/52/96/1067785296.db2.gz RJNYKOHJRMWNEO-UHFFFAOYSA-N 1 0 452.599 4.978 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC001461131326 1067787064 /nfs/dbraw/zinc/78/70/64/1067787064.db2.gz ULRZNSUSNLWEMA-CYBMUJFWSA-N 1 0 455.422 4.637 20 0 JJADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc12 ZINC001461129047 1067787084 /nfs/dbraw/zinc/78/70/84/1067787084.db2.gz DGJULXKRVYZFNR-MRXNPFEDSA-N 1 0 450.027 4.885 20 0 JJADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc12 ZINC001461129044 1067787105 /nfs/dbraw/zinc/78/71/05/1067787105.db2.gz DGJULXKRVYZFNR-INIZCTEOSA-N 1 0 450.027 4.885 20 0 JJADRO COc1ccc(OCc2ccccn2)c(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001461130262 1067787134 /nfs/dbraw/zinc/78/71/34/1067787134.db2.gz WABINLYKWXAUEX-VQTJNVASSA-N 1 0 455.599 4.794 20 0 JJADRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001461142213 1067788306 /nfs/dbraw/zinc/78/83/06/1067788306.db2.gz RGMPGTFSTHAKIP-HNNXBMFYSA-N 1 0 459.306 4.972 20 0 JJADRO CC[C@@H](C)[C@@H]([NH2+]Cc1cncc(Br)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146341 1067789068 /nfs/dbraw/zinc/78/90/68/1067789068.db2.gz CQWLLEICBNJCHE-OPAMFIHVSA-N 1 0 459.432 4.896 20 0 JJADRO CC[C@H](C)[C@@H]([NH2+]Cc1cncc(Br)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146337 1067789168 /nfs/dbraw/zinc/78/91/68/1067789168.db2.gz CQWLLEICBNJCHE-KSFYIVLOSA-N 1 0 459.432 4.896 20 0 JJADRO C[C@@H]([NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001461151347 1067789939 /nfs/dbraw/zinc/78/99/39/1067789939.db2.gz UQUWHAFVPWEJNO-OGECGYFKSA-N 1 0 450.604 4.880 20 0 JJADRO CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)c1ccc(F)cc1 ZINC001461155337 1067790726 /nfs/dbraw/zinc/79/07/26/1067790726.db2.gz GGGPITIJASVTPC-UHFFFAOYSA-N 1 0 455.401 4.911 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC001461158751 1067790968 /nfs/dbraw/zinc/79/09/68/1067790968.db2.gz DCCJWASAAQNYFF-FGZHOGPDSA-N 1 0 458.002 4.800 20 0 JJADRO Clc1nc2cc(Cl)ccn2c1C[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001461160196 1067791384 /nfs/dbraw/zinc/79/13/84/1067791384.db2.gz IOCRVILQUGXUCO-UHFFFAOYSA-N 1 0 452.817 4.596 20 0 JJADRO COc1cc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)ccc1OC(F)F ZINC001461177659 1067793432 /nfs/dbraw/zinc/79/34/32/1067793432.db2.gz LQBUEPRIXNUEDV-LJQANCHMSA-N 1 0 454.945 4.892 20 0 JJADRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1OC ZINC001461192253 1067796499 /nfs/dbraw/zinc/79/64/99/1067796499.db2.gz QBYPNQWAAXTCNR-UHFFFAOYSA-N 1 0 456.892 4.770 20 0 JJADRO COc1c(Br)cc(Br)cc1C[NH2+]CCOc1ccc(F)c(F)c1 ZINC001461193683 1067796742 /nfs/dbraw/zinc/79/67/42/1067796742.db2.gz WBXSEAKQIIOLGS-UHFFFAOYSA-N 1 0 451.105 4.667 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)C[C@@H]2C1 ZINC001461201468 1067798298 /nfs/dbraw/zinc/79/82/98/1067798298.db2.gz GDTXESCKGZPHNB-HNJRGHQBSA-N 1 0 453.549 4.909 20 0 JJADRO O=C(Nc1cccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1)c1ccccc1Cl ZINC001461199094 1067798330 /nfs/dbraw/zinc/79/83/30/1067798330.db2.gz ZLSQEWCVISDBHD-UHFFFAOYSA-N 1 0 451.954 4.835 20 0 JJADRO OC[C@@]1([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCCN(Cc2ccccc2)C1 ZINC001461202696 1067798560 /nfs/dbraw/zinc/79/85/60/1067798560.db2.gz KYJYDPYNFJQLHZ-HXUWFJFHSA-N 1 0 457.334 4.585 20 0 JJADRO Fc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2I)cc1 ZINC001461202207 1067798615 /nfs/dbraw/zinc/79/86/15/1067798615.db2.gz LEEDLZDFVREHQD-OPYAIIAOSA-N 1 0 450.339 4.736 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc(C(C)(C)C)cc3)o2)C1 ZINC001461204578 1067799090 /nfs/dbraw/zinc/79/90/90/1067799090.db2.gz HQSLLXDTGGXLGO-NZQKXSOJSA-N 1 0 456.627 4.958 20 0 JJADRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cn1 ZINC001461207713 1067799845 /nfs/dbraw/zinc/79/98/45/1067799845.db2.gz APOGKRVVFAIQHY-QFIPXVFZSA-N 1 0 452.505 4.736 20 0 JJADRO C[C@@H]([NH2+]C1(CNCC2=Cc3cc(Br)ccc3OC2)CCOCC1)c1ccccc1 ZINC001461229228 1067804975 /nfs/dbraw/zinc/80/49/75/1067804975.db2.gz LFDKVDQWRNASTH-GOSISDBHSA-N 1 0 457.412 4.715 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC001461229234 1067805005 /nfs/dbraw/zinc/80/50/05/1067805005.db2.gz GTIJYWYDZLZWPW-LJQANCHMSA-N 1 0 452.755 4.867 20 0 JJADRO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)c(Br)c3)C2=O)cc1 ZINC001461253943 1067810949 /nfs/dbraw/zinc/81/09/49/1067810949.db2.gz QWVTYPIFBCJZOX-GOSISDBHSA-N 1 0 452.190 4.805 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001461264893 1067813870 /nfs/dbraw/zinc/81/38/70/1067813870.db2.gz RQCRDTJLVXGACI-NRFANRHFSA-N 1 0 458.908 4.904 20 0 JJADRO CCOc1cc(C[NH2+]C[C@@]2(N(C)C)CCSC2)ccc1OCc1c(F)cccc1Cl ZINC001461264203 1067814235 /nfs/dbraw/zinc/81/42/35/1067814235.db2.gz KKEJMFHJEUTYNX-QHCPKHFHSA-N 1 0 453.023 4.984 20 0 JJADRO COc1ccccc1C[C@@H]([NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)C(C)C ZINC001461277534 1067816720 /nfs/dbraw/zinc/81/67/20/1067816720.db2.gz XPHMCGQZVZUESB-JOCHJYFZSA-N 1 0 457.615 4.702 20 0 JJADRO CC[C@H]([NH2+]Cc1c(Br)c2ccccc2n1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461282790 1067817582 /nfs/dbraw/zinc/81/75/82/1067817582.db2.gz VELHNKCZFFMZFQ-REWPJTCUSA-N 1 0 456.428 4.710 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC001461286550 1067818071 /nfs/dbraw/zinc/81/80/71/1067818071.db2.gz UPRCOHCVHGYNCZ-HNNXBMFYSA-N 1 0 459.388 4.972 20 0 JJADRO COc1ncc(Br)cc1C[NH2+]Cc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001461288032 1067818840 /nfs/dbraw/zinc/81/88/40/1067818840.db2.gz YWNTUBNTYYDLLZ-AWEZNQCLSA-N 1 0 450.377 4.728 20 0 JJADRO C[C@@H]1CN(C(=O)c2csc(COc3ccc(F)cc3)n2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001461298609 1067821495 /nfs/dbraw/zinc/82/14/95/1067821495.db2.gz DFSKRPATPLNUNC-CEXWTWQISA-N 1 0 453.583 4.985 20 0 JJADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001461298611 1067821879 /nfs/dbraw/zinc/82/18/79/1067821879.db2.gz DFSKRPATPLNUNC-GBESFXJTSA-N 1 0 453.583 4.985 20 0 JJADRO CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001461298906 1067822095 /nfs/dbraw/zinc/82/20/95/1067822095.db2.gz GPOZPWLIIMTOLS-WDSOQIARSA-N 1 0 450.608 4.890 20 0 JJADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)CC1 ZINC001461302542 1067823194 /nfs/dbraw/zinc/82/31/94/1067823194.db2.gz FSNKIXWGHOSIGJ-QUCCMNQESA-N 1 0 459.428 4.506 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NCc3cccc4c3N(C(=O)OC(C)(C)C)CC4)nc2)CC1 ZINC001461323731 1067828022 /nfs/dbraw/zinc/82/80/22/1067828022.db2.gz NKLYVVXKUPCELZ-UHFFFAOYSA-N 1 0 451.615 4.522 20 0 JJADRO Clc1nccc2cc(C[NH2+]Cc3ccc(Br)cc3N3CCOCC3)sc21 ZINC001461323028 1067828075 /nfs/dbraw/zinc/82/80/75/1067828075.db2.gz DDVUZBRHYZBWID-UHFFFAOYSA-N 1 0 452.805 4.839 20 0 JJADRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001461335884 1067831276 /nfs/dbraw/zinc/83/12/76/1067831276.db2.gz WOHPSCCQGPZTQE-QGZVFWFLSA-N 1 0 453.892 4.674 20 0 JJADRO COc1cc(C[NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)ccc1OCc1c(C)noc1C ZINC001461339547 1067833512 /nfs/dbraw/zinc/83/35/12/1067833512.db2.gz KXTMTZZOCKCDRP-QFIPXVFZSA-N 1 0 452.551 4.645 20 0 JJADRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC001461342647 1067834337 /nfs/dbraw/zinc/83/43/37/1067834337.db2.gz VCGIDGJCOXVJHA-SFHVURJKSA-N 1 0 455.318 4.791 20 0 JJADRO COc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1OC(C)C ZINC001461346052 1067835201 /nfs/dbraw/zinc/83/52/01/1067835201.db2.gz OTQAUQSXHKOXCQ-UHFFFAOYSA-N 1 0 458.555 4.712 20 0 JJADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3cc(Cl)cc(C(F)(F)F)c3)cc2)CC1 ZINC001461346851 1067835264 /nfs/dbraw/zinc/83/52/64/1067835264.db2.gz TYZINFDEFKENFM-UHFFFAOYSA-N 1 0 455.908 4.627 20 0 JJADRO FC(F)(F)c1cccnc1OCC[NH2+]Cc1cc(Br)ccc1Br ZINC001461353986 1067836796 /nfs/dbraw/zinc/83/67/96/1067836796.db2.gz VRHNGPPMEBVSJC-UHFFFAOYSA-N 1 0 454.084 4.794 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc(Cl)c1OCC(N)=O ZINC001461354217 1067836970 /nfs/dbraw/zinc/83/69/70/1067836970.db2.gz LVZRXLPDUFWURD-QAPCUYQASA-N 1 0 456.892 4.657 20 0 JJADRO Cc1cc(Br)cn2c(C[NH2+][C@H](C)[C@H](OC3CCOCC3)c3ccccc3)cnc12 ZINC001461360688 1067838525 /nfs/dbraw/zinc/83/85/25/1067838525.db2.gz WZYAFEIMYCXBAU-VGSWGCGISA-N 1 0 458.400 4.820 20 0 JJADRO C[C@@H]([NH2+]Cc1ccc(I)s1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001461360052 1067838587 /nfs/dbraw/zinc/83/85/87/1067838587.db2.gz UWNXYZKNECQKBF-KUHUBIRLSA-N 1 0 457.377 4.768 20 0 JJADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1ccc(I)s1 ZINC001461365897 1067839776 /nfs/dbraw/zinc/83/97/76/1067839776.db2.gz ULXROTCRIJIFLM-UHFFFAOYSA-N 1 0 456.271 4.714 20 0 JJADRO COc1ccc(C[NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001461375573 1067841125 /nfs/dbraw/zinc/84/11/25/1067841125.db2.gz AQSRSVFIIZJHBI-SANMLTNESA-N 1 0 455.599 4.796 20 0 JJADRO COc1cc(CNc2cc(N(C)C)cc[nH+]2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461376512 1067841539 /nfs/dbraw/zinc/84/15/39/1067841539.db2.gz AWJWHAOXNGWCNB-UHFFFAOYSA-N 1 0 458.921 4.578 20 0 JJADRO COc1cc(Br)c(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001461381226 1067842605 /nfs/dbraw/zinc/84/26/05/1067842605.db2.gz LBDPUDUTRWHMII-SYYKKAFVSA-N 1 0 459.428 4.857 20 0 JJADRO Cc1c(Br)cc(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)cc1Br ZINC001461382412 1067843316 /nfs/dbraw/zinc/84/33/16/1067843316.db2.gz MEPSNRWZCNMZDV-UHFFFAOYSA-N 1 0 454.162 4.766 20 0 JJADRO CCCOc1c(Br)cc(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)cc1OC ZINC001461395742 1067845540 /nfs/dbraw/zinc/84/55/40/1067845540.db2.gz XCDXBSYNWYTKNR-QGZVFWFLSA-N 1 0 455.780 4.606 20 0 JJADRO CC(C)[NH+]1CCN(c2cccc(NCc3ccc(OCCn4ccnc4)c(Cl)c3)c2)CC1 ZINC001461407809 1067848123 /nfs/dbraw/zinc/84/81/23/1067848123.db2.gz RGSCOGHRFMHNGG-UHFFFAOYSA-N 1 0 454.018 4.758 20 0 JJADRO COc1ccc(C[C@H](C)C[NH2+]Cc2ncc(Br)cc2Br)cc1OC ZINC001461409893 1067849056 /nfs/dbraw/zinc/84/90/56/1067849056.db2.gz UPHARGAQLVGLAY-LBPRGKRZSA-N 1 0 458.194 4.592 20 0 JJADRO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461421679 1067852667 /nfs/dbraw/zinc/85/26/67/1067852667.db2.gz YCAUSXFOSZIZQL-SSPYTLHUSA-N 1 0 453.631 4.899 20 0 JJADRO COc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)ccc1OCCOc1cccc(Br)c1 ZINC001461428924 1067853924 /nfs/dbraw/zinc/85/39/24/1067853924.db2.gz AOOCLZDDBMTWDB-AOMKIAJQSA-N 1 0 450.373 4.573 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001461429948 1067853967 /nfs/dbraw/zinc/85/39/67/1067853967.db2.gz FOKXKEAQVCDTSS-JOCHJYFZSA-N 1 0 459.421 4.868 20 0 JJADRO COc1cc(C[NH2+][C@]2(C)CCO[C@H]2C)ccc1OCCOc1cccc(Br)c1 ZINC001461428926 1067854099 /nfs/dbraw/zinc/85/40/99/1067854099.db2.gz AOOCLZDDBMTWDB-KSFYIVLOSA-N 1 0 450.373 4.573 20 0 JJADRO Brc1ccc(-c2c[nH]c(C[NH2+]C[C@@H]3CSCCN3Cc3ccccc3)n2)cc1 ZINC001461430397 1067854354 /nfs/dbraw/zinc/85/43/54/1067854354.db2.gz ALOCOWRUYKCDMQ-HXUWFJFHSA-N 1 0 457.441 4.546 20 0 JJADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1(C)C ZINC001461430816 1067854380 /nfs/dbraw/zinc/85/43/80/1067854380.db2.gz ADHOPOXBLLRBHN-NZQKXSOJSA-N 1 0 451.394 4.901 20 0 JJADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CO)Cc2ccc(C)cc2)c1 ZINC001461433023 1067854896 /nfs/dbraw/zinc/85/48/96/1067854896.db2.gz QDWIZOIWRORQCD-QHCPKHFHSA-N 1 0 457.574 4.558 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)cc(OC)c1OCc1ccccc1 ZINC001461434055 1067855464 /nfs/dbraw/zinc/85/54/64/1067855464.db2.gz FXVXLDTVNTYENP-QHCPKHFHSA-N 1 0 452.595 4.696 20 0 JJADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461435661 1067855883 /nfs/dbraw/zinc/85/58/83/1067855883.db2.gz KNXQAGYNUYZBQD-AAEUAGOBSA-N 1 0 455.315 4.954 20 0 JJADRO COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1cccc(C[N@H+](C)Cc3ccccc3)c1)CCC2 ZINC001461447459 1067859025 /nfs/dbraw/zinc/85/90/25/1067859025.db2.gz YUZTVWIKWOIRNB-SANMLTNESA-N 1 0 456.586 4.955 20 0 JJADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C[C@H](O)c3cccc(Br)c3)cc12 ZINC001461458401 1067861786 /nfs/dbraw/zinc/86/17/86/1067861786.db2.gz LPEYQMGMPTVCGA-KRWDZBQOSA-N 1 0 451.796 4.734 20 0 JJADRO COc1ccc(-c2ccccc2C)cc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC001461466534 1067864163 /nfs/dbraw/zinc/86/41/63/1067864163.db2.gz WHTPFKZPHDLAFC-UHFFFAOYSA-N 1 0 459.011 4.782 20 0 JJADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001461481066 1067870874 /nfs/dbraw/zinc/87/08/74/1067870874.db2.gz PWUIXDYUJPURIT-QHCPKHFHSA-N 1 0 451.051 4.766 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001461481866 1067871201 /nfs/dbraw/zinc/87/12/01/1067871201.db2.gz UITIPYLOAMWXRV-HSZRJFAPSA-N 1 0 456.030 4.563 20 0 JJADRO CCOc1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)ccc1OCc1c(Cl)cccc1Cl ZINC001461499633 1067876948 /nfs/dbraw/zinc/87/69/48/1067876948.db2.gz CDHDZRBSXFKBQY-MRXNPFEDSA-N 1 0 458.407 4.638 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]CCOc3ccc(Cl)c(F)c3)o2)C1 ZINC001461502874 1067877844 /nfs/dbraw/zinc/87/78/44/1067877844.db2.gz VNHFRBPWLPEYAS-INIZCTEOSA-N 1 0 452.954 4.799 20 0 JJADRO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC001461506442 1067878541 /nfs/dbraw/zinc/87/85/41/1067878541.db2.gz KGEXDORRDKDUBG-FQEVSTJZSA-N 1 0 451.567 4.971 20 0 JJADRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)CCO1 ZINC001461511085 1067879285 /nfs/dbraw/zinc/87/92/85/1067879285.db2.gz RFUHARCIEJAJCF-WMZHIEFXSA-N 1 0 456.384 4.772 20 0 JJADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)[C@@H]1n1cccn1 ZINC001461513696 1067879658 /nfs/dbraw/zinc/87/96/58/1067879658.db2.gz JVLJVBHPSIWQIK-BBWFWOEESA-N 1 0 457.210 4.695 20 0 JJADRO COc1cc(OC)c(C[C@H](C)[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)c(OC)c1 ZINC001461515699 1067879884 /nfs/dbraw/zinc/87/98/84/1067879884.db2.gz OMQDXHRFYFYQBP-INIZCTEOSA-N 1 0 450.982 4.690 20 0 JJADRO OC[C@@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)Cc1ccc(F)c(Br)c1 ZINC001461513778 1067880040 /nfs/dbraw/zinc/88/00/40/1067880040.db2.gz NVPTXCCINFUFEC-GFCCVEGCSA-N 1 0 452.698 4.784 20 0 JJADRO O[C@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1)CN1CCc2ccccc2C1 ZINC001461524291 1067880929 /nfs/dbraw/zinc/88/09/29/1067880929.db2.gz XOSILQBIQWOUBV-OAQYLSRUSA-N 1 0 457.437 4.686 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC001461559021 1067887913 /nfs/dbraw/zinc/88/79/13/1067887913.db2.gz MWNOYWANQJJLAF-UHFFFAOYSA-N 1 0 454.018 4.826 20 0 JJADRO CN(C(=O)c1ccc(NCc2oc3ccccc3c2Br)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001461564042 1067889129 /nfs/dbraw/zinc/88/91/29/1067889129.db2.gz IYZBGDCYTUQWSO-SFHVURJKSA-N 1 0 456.384 4.974 20 0 JJADRO OC[C@@H](C[NH2+]Cc1ccccc1OCc1ccccn1)Cc1cc(F)cc(Br)c1 ZINC001461563719 1067889237 /nfs/dbraw/zinc/88/92/37/1067889237.db2.gz JSTTXDZPUBLUIO-GOSISDBHSA-N 1 0 459.359 4.503 20 0 JJADRO OC[C@H](C[NH2+]Cc1ccccc1OCc1ccccn1)Cc1cc(F)cc(Br)c1 ZINC001461563720 1067889248 /nfs/dbraw/zinc/88/92/48/1067889248.db2.gz JSTTXDZPUBLUIO-SFHVURJKSA-N 1 0 459.359 4.503 20 0 JJADRO O[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)c1ccccc1Br ZINC001461578211 1067892495 /nfs/dbraw/zinc/89/24/95/1067892495.db2.gz FSSSBTQDTBQTTG-HNNXBMFYSA-N 1 0 451.105 4.636 20 0 JJADRO Cc1ccc(Oc2cc(Br)ccc2C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1 ZINC001461586107 1067894906 /nfs/dbraw/zinc/89/49/06/1067894906.db2.gz ZVJRFCYUTVJWJM-UHFFFAOYSA-N 1 0 452.414 4.854 20 0 JJADRO Cc1ccc(O[C@@H](C)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)c(Br)c1 ZINC001461593397 1067896672 /nfs/dbraw/zinc/89/66/72/1067896672.db2.gz AHGXZHKOMQEPHU-UGKGYDQZSA-N 1 0 459.428 4.894 20 0 JJADRO COc1cc(C[NH2+]C2(CCO)CCN(C)CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC001461608854 1067900856 /nfs/dbraw/zinc/90/08/56/1067900856.db2.gz BVYXSEOMRJKZPT-UHFFFAOYSA-N 1 0 453.410 4.517 20 0 JJADRO CCOc1cc(C[NH2+]C2(CCO)CCOCC2)ccc1OCc1c(Cl)cccc1Cl ZINC001461617299 1067902563 /nfs/dbraw/zinc/90/25/63/1067902563.db2.gz BXAXMDJOKMMIQI-UHFFFAOYSA-N 1 0 454.394 4.992 20 0 JJADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001461618486 1067902862 /nfs/dbraw/zinc/90/28/62/1067902862.db2.gz JRBIZYUYLPFGLB-NHCUHLMSSA-N 1 0 456.583 4.595 20 0 JJADRO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)ccc1-n1cncn1 ZINC001461627019 1067904867 /nfs/dbraw/zinc/90/48/67/1067904867.db2.gz LWHCANIWGZCJQY-DHIUTWEWSA-N 1 0 465.573 4.598 20 0 JJADRO COCC[C@@H](C[NH2+][C@H]1CCCSc2ccc(Br)cc21)NC(=O)OC(C)(C)C ZINC001461643692 1067908573 /nfs/dbraw/zinc/90/85/73/1067908573.db2.gz LFLKLFQGSPPZLH-RDJZCZTQSA-N 1 0 459.450 4.896 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001461648089 1067908883 /nfs/dbraw/zinc/90/88/83/1067908883.db2.gz UBYIRTQTTWVCQP-JOCHJYFZSA-N 1 0 459.421 4.850 20 0 JJADRO Cc1cc(C[NH2+]Cc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)c(Br)cc1F ZINC001461652392 1067910447 /nfs/dbraw/zinc/91/04/47/1067910447.db2.gz KWTJYWKCKQIXHV-UHFFFAOYSA-N 1 0 457.343 4.718 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC001461671753 1067915084 /nfs/dbraw/zinc/91/50/84/1067915084.db2.gz INAZZUDERFDZEK-WKILWMFISA-N 1 0 455.393 4.536 20 0 JJADRO CN(C)C[C@H]([NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001461674274 1067915464 /nfs/dbraw/zinc/91/54/64/1067915464.db2.gz DNYJDBAPJMUOKA-CVEARBPZSA-N 1 0 457.459 4.743 20 0 JJADRO CN(C)C[C@@H]([NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001461674277 1067915553 /nfs/dbraw/zinc/91/55/53/1067915553.db2.gz DNYJDBAPJMUOKA-HZPDHXFCSA-N 1 0 457.459 4.743 20 0 JJADRO Brc1cccc(-c2ccc(C[NH2+]C[C@@H]3CN(Cc4ccncc4)CCO3)s2)c1 ZINC001461675266 1067915926 /nfs/dbraw/zinc/91/59/26/1067915926.db2.gz FWOOOXCEIDLTKX-HXUWFJFHSA-N 1 0 458.425 4.563 20 0 JJADRO Cc1cc(Cl)ccc1Oc1ccc(F)cc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC001461677935 1067916459 /nfs/dbraw/zinc/91/64/59/1067916459.db2.gz WXAUPUOAKBVKLZ-HSZRJFAPSA-N 1 0 455.961 4.965 20 0 JJADRO COc1cc(C[NH2+]C[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc(Br)c1O ZINC001461692648 1067919598 /nfs/dbraw/zinc/91/95/98/1067919598.db2.gz MJRRDHZZZQGLDG-OAHLLOKOSA-N 1 0 457.409 4.679 20 0 JJADRO COc1cc(C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C ZINC001461695633 1067919933 /nfs/dbraw/zinc/91/99/33/1067919933.db2.gz NWUNKNSAODPKPZ-HXUWFJFHSA-N 1 0 450.457 4.721 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CN(Cc2ccccc2C)CCO1 ZINC001461697424 1067920411 /nfs/dbraw/zinc/92/04/11/1067920411.db2.gz KGHLEDCVQFNWMS-VWLOTQADSA-N 1 0 453.030 4.501 20 0 JJADRO O=C1OC[C@@]2(C[NH2+]Cc3ccc(Cl)cc3Oc3cc(Cl)ccc3Cl)COCCN12 ZINC001461702739 1067921830 /nfs/dbraw/zinc/92/18/30/1067921830.db2.gz ATJIBRGLSLDRLU-HXUWFJFHSA-N 1 0 457.741 4.750 20 0 JJADRO Brc1ccc2c(c1)C=C(C[NH2+][C@H]1COc3cccc(Br)c3C1)CO2 ZINC001461703127 1067921915 /nfs/dbraw/zinc/92/19/15/1067921915.db2.gz NBYOTHKZTXXSFQ-OAHLLOKOSA-N 1 0 451.158 4.581 20 0 JJADRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC001461721802 1067925523 /nfs/dbraw/zinc/92/55/23/1067925523.db2.gz FPHQKBRPHKUNIJ-XMMPIXPASA-N 1 0 451.611 4.785 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC001461738804 1067928160 /nfs/dbraw/zinc/92/81/60/1067928160.db2.gz WCYJPGMOCYNILZ-MHZLTWQESA-N 1 0 454.611 4.814 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001461767764 1067933084 /nfs/dbraw/zinc/93/30/84/1067933084.db2.gz PUWBBQHDPHUZGQ-ZHHKINOHSA-N 1 0 459.631 4.972 20 0 JJADRO COc1cc(Cl)ccc1NC(=O)COc1ccc(C[NH2+]C(C)(C)/C=C\Cl)cc1OC ZINC001461771089 1067933843 /nfs/dbraw/zinc/93/38/43/1067933843.db2.gz UZVPENONVWJISL-KTKRTIGZSA-N 1 0 453.366 4.995 20 0 JJADRO OC[C@H]1C[C@H]([NH2+]Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)C1 ZINC001461777561 1067935217 /nfs/dbraw/zinc/93/52/17/1067935217.db2.gz NOPDCTZKQQIDTM-WKILWMFISA-N 1 0 455.190 4.651 20 0 JJADRO COc1cc(C[NH2+][C@H](C)C(C)(C)OC)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001461779849 1067935609 /nfs/dbraw/zinc/93/56/09/1067935609.db2.gz YSRYYGFZRUSRPW-OAHLLOKOSA-N 1 0 454.489 4.635 20 0 JJADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccccc1Oc1ccc(F)c(Cl)c1 ZINC001461786352 1067936865 /nfs/dbraw/zinc/93/68/65/1067936865.db2.gz SMJDDKYGFJFJHA-TZIWHRDSSA-N 1 0 450.938 4.995 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NCc2c(Br)cncc2Br)c1 ZINC001461819896 1067941684 /nfs/dbraw/zinc/94/16/84/1067941684.db2.gz UIRODYFKXXXHEZ-UHFFFAOYSA-N 1 0 457.210 4.939 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC001461833714 1067943805 /nfs/dbraw/zinc/94/38/05/1067943805.db2.gz VJDRIMLNMJBNGL-KRWDZBQOSA-N 1 0 455.318 4.920 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2c(Cl)cccc2OCc2ccccc2Cl)C1 ZINC001461838904 1067944663 /nfs/dbraw/zinc/94/46/63/1067944663.db2.gz VGAFGYDZRSNNHQ-LAUBAEHRSA-N 1 0 481.420 4.890 20 0 JJADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001461844565 1067945293 /nfs/dbraw/zinc/94/52/93/1067945293.db2.gz JYPFRFYOMVVGLP-PGRDOPGGSA-N 1 0 459.428 4.950 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)n2)cc1 ZINC001461849752 1067946550 /nfs/dbraw/zinc/94/65/50/1067946550.db2.gz NBPBJTOVNLJPGV-WOJBJXKFSA-N 1 0 451.489 4.983 20 0 JJADRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC001461850889 1067946702 /nfs/dbraw/zinc/94/67/02/1067946702.db2.gz GUEJXRGDYQIMFT-UHFFFAOYSA-N 1 0 457.347 4.625 20 0 JJADRO COC(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1Br ZINC001461862087 1067949158 /nfs/dbraw/zinc/94/91/58/1067949158.db2.gz MYBXGDWYZADHOC-REWPJTCUSA-N 1 0 457.412 4.722 20 0 JJADRO COc1ccc(C[N@H+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)c(OCc2cccnc2)c1 ZINC001461879599 1067953198 /nfs/dbraw/zinc/95/31/98/1067953198.db2.gz GMYOWGUASVQPFU-UHFFFAOYSA-N 1 0 455.599 4.937 20 0 JJADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3c(C)nn(-c4ccccc4C)c3C)CC2)cs1 ZINC001461880425 1067953651 /nfs/dbraw/zinc/95/36/51/1067953651.db2.gz GZYJZODSHQDZGA-NRFANRHFSA-N 1 0 453.656 4.669 20 0 JJADRO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3c(C)nn(-c4ccccc4C)c3C)CC2)cs1 ZINC001461880432 1067953707 /nfs/dbraw/zinc/95/37/07/1067953707.db2.gz GZYJZODSHQDZGA-OAQYLSRUSA-N 1 0 453.656 4.669 20 0 JJADRO C[NH+]1CCC2(CC1)CN(C(=O)CCSc1ccccc1Br)Cc1ccccc12 ZINC001461884863 1067954624 /nfs/dbraw/zinc/95/46/24/1067954624.db2.gz UNCALQBEDLGRAP-UHFFFAOYSA-N 1 0 459.453 4.937 20 0 JJADRO CC(C)(C)OC(=O)NCCCOC1CCN(Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001461890610 1067955385 /nfs/dbraw/zinc/95/53/85/1067955385.db2.gz VHGKNPZITZONEZ-UHFFFAOYSA-N 1 0 450.473 4.620 20 0 JJADRO CC1CC[NH+](C[C@@H]2CCCN(Cc3ccc(N4CCC[C@@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899088 1067957554 /nfs/dbraw/zinc/95/75/54/1067957554.db2.gz NMBSULOUZJFAKQ-XZOQPEGZSA-N 1 0 459.675 4.782 20 0 JJADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C(C)C)cc1 ZINC001461900603 1067958059 /nfs/dbraw/zinc/95/80/59/1067958059.db2.gz VVSTYFPRWHBONJ-LJQANCHMSA-N 1 0 458.505 4.834 20 0 JJADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH+]2CCC(Cc3cccc(F)c3)CC2)cnn1C ZINC001461908846 1067959567 /nfs/dbraw/zinc/95/95/67/1067959567.db2.gz DAPHQVRDYMWAGX-QFIPXVFZSA-N 1 0 458.622 4.506 20 0 JJADRO CCC[N@H+](Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCc2ccccc2C1 ZINC001461910128 1067959607 /nfs/dbraw/zinc/95/96/07/1067959607.db2.gz FNALFKTUYYIKBG-DHIUTWEWSA-N 1 0 453.631 4.620 20 0 JJADRO Cc1cc(C[N@@H+](Cc2cn(C)nc2-c2ccc(F)cc2)CC(C)C)nc(N2CCCCC2)n1 ZINC001461914085 1067960125 /nfs/dbraw/zinc/96/01/25/1067960125.db2.gz RPJXFZNDVXKKNK-UHFFFAOYSA-N 1 0 450.606 4.973 20 0 JJADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914220 1067960153 /nfs/dbraw/zinc/96/01/53/1067960153.db2.gz URPMNMNGAPTGDJ-OLZOCXBDSA-N 1 0 455.493 4.986 20 0 JJADRO COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC001461927147 1067962301 /nfs/dbraw/zinc/96/23/01/1067962301.db2.gz NTYGHUWPLPEWEB-UHFFFAOYSA-N 1 0 451.954 4.967 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN3CCC[N@H+](CC4CCCCC4)CC3)o2)C1 ZINC001461937830 1067964404 /nfs/dbraw/zinc/96/44/04/1067964404.db2.gz QPWOIDRLQHRDPZ-QHCPKHFHSA-N 1 0 459.675 4.926 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001461948940 1067967239 /nfs/dbraw/zinc/96/72/39/1067967239.db2.gz JLQLREVTCIDTDY-FCHUYYIVSA-N 1 0 457.594 4.586 20 0 JJADRO CC[N@H+](Cc1cc(Br)cnc1F)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001461985807 1067975292 /nfs/dbraw/zinc/97/52/92/1067975292.db2.gz GLJRCKDQDSQTFD-UHFFFAOYSA-N 1 0 450.400 4.696 20 0 JJADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](Cc2ccco2)Cc2cccs2)cnn1C ZINC001462036055 1067985477 /nfs/dbraw/zinc/98/54/77/1067985477.db2.gz CZLVVTNHMCMWPD-IBGZPJMESA-N 1 0 458.628 4.769 20 0 JJADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCN(Cc4ccccc4)C3)C2=O)ccc1Br ZINC001462047803 1067989391 /nfs/dbraw/zinc/98/93/91/1067989391.db2.gz BNEGBJCHOWEJKN-NFBKMPQASA-N 1 0 456.428 4.507 20 0 JJADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC001462057520 1067992592 /nfs/dbraw/zinc/99/25/92/1067992592.db2.gz BOVWSSCGULLQNU-UHFFFAOYSA-N 1 0 451.542 4.578 20 0 JJADRO COC(=O)c1cccc2c(C[NH+]3CCC(Oc4cccc(Br)c4)CC3)ccnc12 ZINC001462077170 1067997438 /nfs/dbraw/zinc/99/74/38/1067997438.db2.gz XXQYUCJMRWXVMB-UHFFFAOYSA-N 1 0 455.352 4.827 20 0 JJADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(-c4cccc(C)c4)cc3)CC2)cc1 ZINC001462077655 1067997585 /nfs/dbraw/zinc/99/75/85/1067997585.db2.gz XUKXUUCYJHZIFS-UHFFFAOYSA-N 1 0 450.604 4.614 20 0 JJADRO COC(=O)c1csc(-c2cccc(C[NH2+][C@@H](C)C[C@H]3CCCN3C(=O)OC(C)(C)C)c2)n1 ZINC001462086529 1067999523 /nfs/dbraw/zinc/99/95/23/1067999523.db2.gz LYGUBOLYMYBXAK-QFBILLFUSA-N 1 0 459.612 4.864 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)Cc2cccc(OC)c2Cl)cc1 ZINC001462102414 1068002930 /nfs/dbraw/zinc/00/29/30/1068002930.db2.gz BISXKQHEDDSBCG-BJKOFHAPSA-N 1 0 464.993 4.684 20 0 JJADRO CCc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cnn1CC(C)C ZINC001462107056 1068004806 /nfs/dbraw/zinc/00/48/06/1068004806.db2.gz IWFGDZLXLIRSMZ-IZZNHLLZSA-N 1 0 460.622 4.508 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](C)OCc2ccc(C)cc2)cc1 ZINC001462113195 1068006856 /nfs/dbraw/zinc/00/68/56/1068006856.db2.gz WVJMGKYRLFWYHH-QLCOJLISSA-N 1 0 458.602 4.693 20 0 JJADRO CC[NH+]1CCN(c2cccc(NCc3nc(N(C)C)n(-c4ccc(C)cc4)c3Cl)c2)CC1 ZINC001462130062 1068011876 /nfs/dbraw/zinc/01/18/76/1068011876.db2.gz UDAPSYPYZYSUAW-UHFFFAOYSA-N 1 0 453.034 4.654 20 0 JJADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC001462143519 1068014157 /nfs/dbraw/zinc/01/41/57/1068014157.db2.gz BMPYXQRCYACNGJ-QLJPJBMISA-N 1 0 457.727 4.691 20 0 JJADRO CC(C)(C)OC(=O)NCc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001462149781 1068015687 /nfs/dbraw/zinc/01/56/87/1068015687.db2.gz QVZSEDUWCLLMBR-AREMUKBSSA-N 1 0 459.631 4.934 20 0 JJADRO OC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)cc1C(F)(F)F ZINC001462152270 1068016602 /nfs/dbraw/zinc/01/66/02/1068016602.db2.gz SVJSKIMMXXUTOH-XLIONFOSSA-N 1 0 457.334 4.756 20 0 JJADRO COc1cccc(C2CC([NH2+]Cc3cc(Cl)c(I)cc3OC)C2)c1 ZINC001462153230 1068017261 /nfs/dbraw/zinc/01/72/61/1068017261.db2.gz DMDCNTATGSJQRG-UHFFFAOYSA-N 1 0 457.739 4.998 20 0 JJADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)cc1Cl ZINC001462162281 1068019376 /nfs/dbraw/zinc/01/93/76/1068019376.db2.gz JJJJMDHLSTYRSH-YJBOKZPZSA-N 1 0 450.808 4.997 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCO[C@H](c2ccccc2OC)C1)c1cccc(C(F)(F)F)c1 ZINC001462167008 1068020705 /nfs/dbraw/zinc/02/07/05/1068020705.db2.gz KWKALJRRYWGFLM-VXKWHMMOSA-N 1 0 450.501 4.697 20 0 JJADRO COC(=O)COc1ccc(CN(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC001462187800 1068025123 /nfs/dbraw/zinc/02/51/23/1068025123.db2.gz CMKAWUJCWBKBBO-UHFFFAOYSA-N 1 0 451.394 4.643 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001462190026 1068025752 /nfs/dbraw/zinc/02/57/52/1068025752.db2.gz LIRQPUCEQGDVPW-CQSZACIVSA-N 1 0 452.464 4.537 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC001462192546 1068026240 /nfs/dbraw/zinc/02/62/40/1068026240.db2.gz XFOYBOLLAGIUJN-WMZOPIPTSA-N 1 0 456.414 4.868 20 0 JJADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(Br)cc2SC(C)C)cc1O ZINC001462195261 1068026705 /nfs/dbraw/zinc/02/67/05/1068026705.db2.gz BQDGUXJEPABFFG-INIZCTEOSA-N 1 0 454.430 4.605 20 0 JJADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(Br)cc2SC(C)C)cc1O ZINC001462195264 1068026734 /nfs/dbraw/zinc/02/67/34/1068026734.db2.gz BQDGUXJEPABFFG-MRXNPFEDSA-N 1 0 454.430 4.605 20 0 JJADRO OC1(Cc2ccc(OC(F)(F)F)cc2)CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC001462204677 1068028941 /nfs/dbraw/zinc/02/89/41/1068028941.db2.gz OBYLDVLCDRJGFI-UHFFFAOYSA-N 1 0 452.423 4.981 20 0 JJADRO CC(C)(C)OC(=O)NCCC[N@H+](CC1CCCC1)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001462216388 1068030934 /nfs/dbraw/zinc/03/09/34/1068030934.db2.gz RBSOHFFVBGZWEH-UHFFFAOYSA-N 1 0 451.652 4.793 20 0 JJADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC001462220654 1068031301 /nfs/dbraw/zinc/03/13/01/1068031301.db2.gz QIQOZGDPZSXMEN-CJFMBICVSA-N 1 0 451.611 4.536 20 0 JJADRO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001462223021 1068031781 /nfs/dbraw/zinc/03/17/81/1068031781.db2.gz SJGYPWWFNUYQLE-UHFFFAOYSA-N 1 0 451.327 4.961 20 0 JJADRO Fc1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(I)c1 ZINC001462227506 1068033326 /nfs/dbraw/zinc/03/33/26/1068033326.db2.gz UJVSHRRPSQQTNU-OAQYLSRUSA-N 1 0 450.339 4.528 20 0 JJADRO COCC1(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242366 1068036624 /nfs/dbraw/zinc/03/66/24/1068036624.db2.gz XEAZSCDSJXLQTK-LADGPHEKSA-N 1 0 457.659 4.608 20 0 JJADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1)CC3 ZINC001462253123 1068038457 /nfs/dbraw/zinc/03/84/57/1068038457.db2.gz KDEAIZFTZOHOHG-ZWKOTPCHSA-N 1 0 457.412 4.546 20 0 JJADRO C[C@H]1C[C@H](NCc2c(Br)cncc2Br)C[N@H+](Cc2ccccc2)C1 ZINC001462255828 1068038699 /nfs/dbraw/zinc/03/86/99/1068038699.db2.gz AMQKFOHJFLZNBV-HOCLYGCPSA-N 1 0 453.222 4.607 20 0 JJADRO Brc1ncccc1C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001462263308 1068040685 /nfs/dbraw/zinc/04/06/85/1068040685.db2.gz PHBKNZPLUKEIFH-AWEZNQCLSA-N 1 0 457.153 4.513 20 0 JJADRO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC001462274429 1068042053 /nfs/dbraw/zinc/04/20/53/1068042053.db2.gz KNMYEPJIGICBNS-AEMUTPODSA-N 1 0 459.606 4.645 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@H](C(=O)NC3CCC(C)([NH+](C)C)CC3)[C@@H]2c2cccs2)cc1 ZINC001462281023 1068042920 /nfs/dbraw/zinc/04/29/20/1068042920.db2.gz ZXXDPZBVMVIFFT-CRCABORFSA-N 1 0 453.652 4.920 20 0 JJADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1 ZINC001462302404 1068047245 /nfs/dbraw/zinc/04/72/45/1068047245.db2.gz DYDUXVSORWTMCU-GOSISDBHSA-N 1 0 453.583 4.890 20 0 JJADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1 ZINC001462302407 1068047566 /nfs/dbraw/zinc/04/75/66/1068047566.db2.gz DYDUXVSORWTMCU-SFHVURJKSA-N 1 0 453.583 4.890 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OCC(F)F)CC1 ZINC001462310556 1068048890 /nfs/dbraw/zinc/04/88/90/1068048890.db2.gz BZTVOOMIYRWZST-UGKGYDQZSA-N 1 0 454.558 4.615 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H](C)[NH2+]CCc1ccc(C)cn1 ZINC001462312391 1068049110 /nfs/dbraw/zinc/04/91/10/1068049110.db2.gz CLWJOLUAFOOENS-GOSISDBHSA-N 1 0 451.592 4.845 20 0 JJADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001462327756 1068051800 /nfs/dbraw/zinc/05/18/00/1068051800.db2.gz PRWLTRLIZKCDLV-JAMKYWPSSA-N 1 0 461.581 4.809 20 0 JJADRO CCOc1cc(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc(Br)c1O ZINC001462330231 1068052246 /nfs/dbraw/zinc/05/22/46/1068052246.db2.gz BWRWBRAIWFUUKL-FUHWJXTLSA-N 1 0 473.333 4.673 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001462337408 1068054044 /nfs/dbraw/zinc/05/40/44/1068054044.db2.gz BZJHWXOLBNAXIC-UXHICEINSA-N 1 0 453.421 4.733 20 0 JJADRO CCOC(=O)Cn1cc(C[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)c(-c2cccnc2)n1 ZINC001462356551 1068058346 /nfs/dbraw/zinc/05/83/46/1068058346.db2.gz IYAYKYBHZOONEA-WMZHIEFXSA-N 1 0 452.986 4.978 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)c(Cl)c3F)cc2F)CC1 ZINC001462359039 1068058995 /nfs/dbraw/zinc/05/89/95/1068058995.db2.gz DXJMZXOVHWIXBL-UHFFFAOYSA-N 1 0 458.734 4.775 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001462363784 1068060599 /nfs/dbraw/zinc/06/05/99/1068060599.db2.gz CXMZEXFXUOSNCO-PFAUGDHASA-N 1 0 451.652 4.980 20 0 JJADRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(Oc4cccc(F)c4)cc3)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001462368863 1068061548 /nfs/dbraw/zinc/06/15/48/1068061548.db2.gz BTCNRWKKCQUHMV-BJKOFHAPSA-N 1 0 466.557 4.844 20 0 JJADRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CCN1C(=O)OC(C)(C)C ZINC001462406321 1068066899 /nfs/dbraw/zinc/06/68/99/1068066899.db2.gz CCLMLADFDXGBAP-VAMGGRTRSA-N 1 0 451.652 4.934 20 0 JJADRO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CCN1C(=O)OC(C)(C)C ZINC001462406297 1068066914 /nfs/dbraw/zinc/06/69/14/1068066914.db2.gz CCLMLADFDXGBAP-AABGKKOBSA-N 1 0 451.652 4.934 20 0 JJADRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@@H](C)c2cccc(Br)c2)CC1 ZINC001462413367 1068069225 /nfs/dbraw/zinc/06/92/25/1068069225.db2.gz XTHBCUGHCBWGNF-QGZVFWFLSA-N 1 0 455.437 4.901 20 0 JJADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)[C@H]1Sc1ccccc1 ZINC001462413789 1068069944 /nfs/dbraw/zinc/06/99/44/1068069944.db2.gz VLXFCPZPIPQANC-BRKWEVRTSA-N 1 0 466.569 4.538 20 0 JJADRO COC(=O)c1ccc(COc2ccc(C[N@@H+]3CCS[C@H](c4ccccc4)C3)cc2OC)o1 ZINC001462415174 1068070071 /nfs/dbraw/zinc/07/00/71/1068070071.db2.gz OPMXBAXKBSPEDD-DEOSSOPVSA-N 1 0 453.560 4.944 20 0 JJADRO CC(C)(C)OC(=O)N1CC(O)(C[NH2+]Cc2ccccc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001462424939 1068071688 /nfs/dbraw/zinc/07/16/88/1068071688.db2.gz GWZWHHIBKMDHPT-UHFFFAOYSA-N 1 0 453.366 4.857 20 0 JJADRO Cc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c(-c2cnn(C)c2)c1 ZINC001462425197 1068071720 /nfs/dbraw/zinc/07/17/20/1068071720.db2.gz FQAPYYFWHYZMJI-MSOLQXFVSA-N 1 0 453.222 4.723 20 0 JJADRO Cc1cc(Br)c(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)s1 ZINC001462440463 1068074728 /nfs/dbraw/zinc/07/47/28/1068074728.db2.gz PQEJXKHUIITSLT-AWEZNQCLSA-N 1 0 453.368 4.832 20 0 JJADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC001462444134 1068075654 /nfs/dbraw/zinc/07/56/54/1068075654.db2.gz ZSUUCYPIHJIPBM-OIISXLGYSA-N 1 0 459.450 4.713 20 0 JJADRO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001462450253 1068076901 /nfs/dbraw/zinc/07/69/01/1068076901.db2.gz WWEKLXMMTIFMNH-RPWUZVMVSA-N 1 0 457.659 4.859 20 0 JJADRO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001462449416 1068077114 /nfs/dbraw/zinc/07/71/14/1068077114.db2.gz SFIJRBLQKWTJHA-BUUDZMLXSA-N 1 0 461.606 4.562 20 0 JJADRO Cc1ccc(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1NC(=O)OC(C)(C)C ZINC001462461231 1068079080 /nfs/dbraw/zinc/07/90/80/1068079080.db2.gz FVFJUTKPOHMDSR-QFIPXVFZSA-N 1 0 450.583 4.879 20 0 JJADRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1F ZINC001462483372 1068083168 /nfs/dbraw/zinc/08/31/68/1068083168.db2.gz WPZUDNYGXBMTRZ-FQEVSTJZSA-N 1 0 458.574 4.975 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 ZINC001462489782 1068083979 /nfs/dbraw/zinc/08/39/79/1068083979.db2.gz USAIVWLRNQFRQD-MUUNZHRXSA-N 1 0 457.618 4.997 20 0 JJADRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)o1 ZINC001462497771 1068085608 /nfs/dbraw/zinc/08/56/08/1068085608.db2.gz VKJBKCVAINKEJB-YAKVFXAGSA-N 1 0 454.567 4.999 20 0 JJADRO Cc1cc(Br)c(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1Br ZINC001462507823 1068087584 /nfs/dbraw/zinc/08/75/84/1068087584.db2.gz UZNPTTXISOPEKU-UHFFFAOYSA-N 1 0 450.218 4.838 20 0 JJADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462516777 1068089579 /nfs/dbraw/zinc/08/95/79/1068089579.db2.gz FQPOAVYTVUUPOL-MSOLQXFVSA-N 1 0 452.039 4.702 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3c(C)nn(C(C)(C)C)c3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462520745 1068090332 /nfs/dbraw/zinc/09/03/32/1068090332.db2.gz RLIJIZXWKGKBAG-XZOQPEGZSA-N 1 0 456.631 4.756 20 0 JJADRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccccc3OCc3ccc(F)cc3F)C2)cc1F ZINC001462544160 1068095044 /nfs/dbraw/zinc/09/50/44/1068095044.db2.gz CYJFKQNCYATWAV-HXUWFJFHSA-N 1 0 456.464 4.974 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+][C@H](CO)c3ccc(Br)cc3)CC[C@@H]21 ZINC001462543711 1068095074 /nfs/dbraw/zinc/09/50/74/1068095074.db2.gz RQQLVAXVPXCXRT-MDNKFWRPSA-N 1 0 453.421 4.640 20 0 JJADRO CCOc1cc(CN2CC[NH+]([C@H](CC)c3ccc(F)cc3)CC2)cc(Br)c1O ZINC001462555918 1068097635 /nfs/dbraw/zinc/09/76/35/1068097635.db2.gz LPVGZZVNUUZGED-HXUWFJFHSA-N 1 0 451.380 4.961 20 0 JJADRO CN(C)c1nc(C[NH2+]C2(CCO)CCCCC2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462557127 1068098042 /nfs/dbraw/zinc/09/80/42/1068098042.db2.gz QJSAZICITFZPIF-UHFFFAOYSA-N 1 0 455.828 4.529 20 0 JJADRO CCc1ccc2ccccc2c1C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C ZINC001462575118 1068101798 /nfs/dbraw/zinc/10/17/98/1068101798.db2.gz XRPAUOPKTJMJAH-FQEVSTJZSA-N 1 0 450.627 4.917 20 0 JJADRO C[C@H](C[NH2+]Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1cc(F)cc(F)c1 ZINC001462575998 1068102360 /nfs/dbraw/zinc/10/23/60/1068102360.db2.gz IQEUUQPSBVKZSP-LJQANCHMSA-N 1 0 459.581 4.911 20 0 JJADRO COC(=O)c1ccc(COc2ccc(C[N@@H+]3CC[C@H](c4c(F)cccc4F)C3)cc2OC)o1 ZINC001462576249 1068102503 /nfs/dbraw/zinc/10/25/03/1068102503.db2.gz BVNRGEOCGQJNGS-KRWDZBQOSA-N 1 0 457.473 4.922 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C[C@]2(C)C1 ZINC001462578039 1068103249 /nfs/dbraw/zinc/10/32/49/1068103249.db2.gz UEYIWORHYUOWJL-WXVAWEFUSA-N 1 0 452.643 4.918 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH+]2CCC(CCc3ccccc3)CC2)C1 ZINC001462585589 1068105179 /nfs/dbraw/zinc/10/51/79/1068105179.db2.gz HTYVPZDKMNFBDQ-QHCPKHFHSA-N 1 0 453.631 4.695 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001462591109 1068106968 /nfs/dbraw/zinc/10/69/68/1068106968.db2.gz BAPXZOWQNATIDO-PFAUGDHASA-N 1 0 451.652 4.647 20 0 JJADRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 ZINC001462597638 1068108176 /nfs/dbraw/zinc/10/81/76/1068108176.db2.gz ZLFVWIIQTZSMFJ-MALNDZBISA-N 1 0 456.627 4.881 20 0 JJADRO CCn1cc(C[N@@H+]2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)c(-c2ccccc2)n1 ZINC001462610939 1068111540 /nfs/dbraw/zinc/11/15/40/1068111540.db2.gz IIYCSASACIXGQJ-UHFFFAOYSA-N 1 0 454.615 4.608 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC001462614585 1068112225 /nfs/dbraw/zinc/11/22/25/1068112225.db2.gz QJZVFKZAOCCDEW-JCNMPKRYSA-N 1 0 478.614 4.947 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001462619093 1068113634 /nfs/dbraw/zinc/11/36/34/1068113634.db2.gz SEEHNXJKSTXORD-NJDAHSKKSA-N 1 0 457.615 4.699 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001462618736 1068113757 /nfs/dbraw/zinc/11/37/57/1068113757.db2.gz RBESXWAKSBIGIC-IPVFLDMMSA-N 1 0 459.631 4.804 20 0 JJADRO CC(C)(C)OC(=O)N(CC[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C(C)(C)C ZINC001462620657 1068114257 /nfs/dbraw/zinc/11/42/57/1068114257.db2.gz HXUQJDMTIYQFDC-QFIPXVFZSA-N 1 0 455.437 4.768 20 0 JJADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H](C)c1ccc(Br)cc1 ZINC001462630001 1068117059 /nfs/dbraw/zinc/11/70/59/1068117059.db2.gz ORPBJWFLTHRPRA-JKSUJKDBSA-N 1 0 458.400 4.908 20 0 JJADRO O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001462691370 1068132847 /nfs/dbraw/zinc/13/28/47/1068132847.db2.gz UMKDXAUOTZCGNC-XCJLJZCSSA-N 1 0 452.542 4.580 20 0 JJADRO O=S(=O)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Cl)cc(Br)c1 ZINC001462748237 1068153681 /nfs/dbraw/zinc/15/36/81/1068153681.db2.gz PMALEIXHQKLOOP-UHFFFAOYSA-N 1 0 457.821 4.567 20 0 JJADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(Br)cc1Cl ZINC001462749360 1068154222 /nfs/dbraw/zinc/15/42/22/1068154222.db2.gz TZGLWLDAPIMGDK-UHFFFAOYSA-N 1 0 457.821 4.567 20 0 JJADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)OCc1ccc(Cl)cc1 ZINC001462756193 1068156897 /nfs/dbraw/zinc/15/68/97/1068156897.db2.gz AGIUWIMPBBAVEB-UHFFFAOYSA-N 1 0 455.908 4.797 20 0 JJADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1ccc2ccccc2c1Br ZINC001462756925 1068157733 /nfs/dbraw/zinc/15/77/33/1068157733.db2.gz OJWHAJPHXQTDOO-UHFFFAOYSA-N 1 0 459.409 4.677 20 0 JJADRO O=S(=O)(CCc1ccc(F)cc1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001462800451 1068171172 /nfs/dbraw/zinc/17/11/72/1068171172.db2.gz YGVNCEZPCVEREP-UHFFFAOYSA-N 1 0 452.595 4.751 20 0 JJADRO O=S(=O)(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001462820281 1068176158 /nfs/dbraw/zinc/17/61/58/1068176158.db2.gz WZHPCGASLTUSJV-UHFFFAOYSA-N 1 0 456.995 4.859 20 0 JJADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001462821307 1068176223 /nfs/dbraw/zinc/17/62/23/1068176223.db2.gz JSRLHMBKWLUQEQ-VWRAKTAISA-N 1 0 451.449 4.558 20 0 JJADRO CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCCC1 ZINC001546134377 1068179635 /nfs/dbraw/zinc/17/96/35/1068179635.db2.gz URQYRTXMYNJZCC-UHFFFAOYSA-N 1 0 455.647 4.853 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001462829035 1068180902 /nfs/dbraw/zinc/18/09/02/1068180902.db2.gz HFXXSCUSAHKLIS-HNNXBMFYSA-N 1 0 458.958 4.794 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001462835310 1068184518 /nfs/dbraw/zinc/18/45/18/1068184518.db2.gz WDAZHLHUZHWJRX-KRWDZBQOSA-N 1 0 456.530 4.579 20 0 JJADRO CC(C)(C)c1nc2ccc(S(=O)(=O)NCC3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC001462897808 1068207617 /nfs/dbraw/zinc/20/76/17/1068207617.db2.gz WONZBRUGYJWFOH-UHFFFAOYSA-N 1 0 457.665 4.784 20 0 JJADRO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@H](CC[NH+](C)C)c3cccnc3)cc12 ZINC001462933161 1068220255 /nfs/dbraw/zinc/22/02/55/1068220255.db2.gz SIZHWNILIFYKLV-LJQANCHMSA-N 1 0 453.999 4.867 20 0 JJADRO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)[NH+]2CCCC2)cc1 ZINC001462956316 1068228823 /nfs/dbraw/zinc/22/88/23/1068228823.db2.gz PXOPYMBOPUPOFF-SFHVURJKSA-N 1 0 457.821 4.526 20 0 JJADRO Cc1ccnc2c1cccc2S(=O)(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001463031194 1068257720 /nfs/dbraw/zinc/25/77/20/1068257720.db2.gz KQXGXDVTKWLRJY-UHFFFAOYSA-N 1 0 451.636 4.556 20 0 JJADRO CC(C)C[C@H](CNS(=O)(=O)c1c2ncsc2ccc1Cl)[NH2+][C@@H](C)c1ccccc1 ZINC001463073757 1068277796 /nfs/dbraw/zinc/27/77/96/1068277796.db2.gz KICUAPYEHMMCRL-DOTOQJQBSA-N 1 0 452.045 4.994 20 0 JJADRO Cc1csc(C(C)(C)NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)n1 ZINC001463075638 1068278553 /nfs/dbraw/zinc/27/85/53/1068278553.db2.gz OZUZQZXIWWUYOB-XZOQPEGZSA-N 1 0 469.676 4.583 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC[C@@H]3CCCC[N@H+]3C)cc12 ZINC001463219850 1068324038 /nfs/dbraw/zinc/32/40/38/1068324038.db2.gz AQVGRJFZZHBJKS-INIZCTEOSA-N 1 0 451.423 4.975 20 0 JJADRO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1Cl ZINC001463224353 1068326292 /nfs/dbraw/zinc/32/62/92/1068326292.db2.gz HKTUOASLZUFVMI-JOCHJYFZSA-N 1 0 453.435 4.979 20 0 JJADRO CCS[C@H]1CCC[C@@H]1NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264516 1068338840 /nfs/dbraw/zinc/33/88/40/1068338840.db2.gz CQOYDBQMJHRYMO-OJJQZRKESA-N 1 0 458.693 4.557 20 0 JJADRO COc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C(C)C ZINC001463286654 1068344562 /nfs/dbraw/zinc/34/45/62/1068344562.db2.gz ZPLPVLPPSQAXCX-ISKFKSNPSA-N 1 0 456.652 4.802 20 0 JJADRO COc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(OCCOC(C)C)c1 ZINC001463347644 1068366362 /nfs/dbraw/zinc/36/63/62/1068366362.db2.gz ZXTUIETUYCWFGP-TZRRMPRUSA-N 1 0 466.622 4.530 20 0 JJADRO CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001463362422 1068371965 /nfs/dbraw/zinc/37/19/65/1068371965.db2.gz AHTRZDZBDYNPPT-OAQYLSRUSA-N 1 0 454.014 4.596 20 0 JJADRO CCOC(=O)Cc1cccc(N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)c1 ZINC001463365015 1068372883 /nfs/dbraw/zinc/37/28/83/1068372883.db2.gz AMXZVQNLJKNKTO-WUFINQPMSA-N 1 0 470.613 4.979 20 0 JJADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1)CC(C)C ZINC001463395055 1068383060 /nfs/dbraw/zinc/38/30/60/1068383060.db2.gz LUXHWOJWJHKCQX-UHFFFAOYSA-N 1 0 455.715 4.949 20 0 JJADRO O=S(=O)(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1c(Cl)cccc1Br ZINC001463521676 1068426671 /nfs/dbraw/zinc/42/66/71/1068426671.db2.gz VIXWOUQDQBNUKT-GOSISDBHSA-N 1 0 457.821 4.608 20 0 JJADRO COc1cccc([C@@H](CNC(=O)C(F)(F)c2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC001463553943 1068439469 /nfs/dbraw/zinc/43/94/69/1068439469.db2.gz AREJLAAZFBIGPF-LJQANCHMSA-N 1 0 453.327 4.503 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2cc(Cl)c(F)cc2Br)[NH+]2CCCC2)c1 ZINC001463559401 1068442545 /nfs/dbraw/zinc/44/25/45/1068442545.db2.gz RSKWOAKFDXBGSV-LJQANCHMSA-N 1 0 455.755 4.817 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)[NH+]2CCCC2)c1 ZINC001463559497 1068442586 /nfs/dbraw/zinc/44/25/86/1068442586.db2.gz TWSLOGZVCJGYEM-QFIPXVFZSA-N 1 0 459.377 4.755 20 0 JJADRO COc1ccc([C@H](CNC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)[NH+]2CCCC2)cc1 ZINC001463561116 1068443199 /nfs/dbraw/zinc/44/31/99/1068443199.db2.gz CIKWWRKCMMYFMA-FQEVSTJZSA-N 1 0 459.468 4.936 20 0 JJADRO COc1ccc([C@@H](CNC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC001463562000 1068444051 /nfs/dbraw/zinc/44/40/51/1068444051.db2.gz GQFBLHCNMMFALK-HTAPYJJXSA-N 1 0 450.501 4.726 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1cc(Br)cc2cccnc21)[NH+]1CCCC1 ZINC001463570441 1068450393 /nfs/dbraw/zinc/45/03/93/1068450393.db2.gz HGJQJKVSMMJXCQ-HXUWFJFHSA-N 1 0 454.368 4.573 20 0 JJADRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc(C)c1OCc1ccccc1 ZINC001463612552 1068466166 /nfs/dbraw/zinc/46/61/66/1068466166.db2.gz KMNOZRQGOZQDNE-XMMPIXPASA-N 1 0 456.652 4.958 20 0 JJADRO COc1ccc([C@H](CNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)[NH+]2CCCCC2)cc1 ZINC001463657511 1068484368 /nfs/dbraw/zinc/48/43/68/1068484368.db2.gz FBCQZPGESNNNTO-QHCPKHFHSA-N 1 0 453.583 4.844 20 0 JJADRO C[NH+](C)C1(CNC(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)CCCCCC1 ZINC001463707582 1068501617 /nfs/dbraw/zinc/50/16/17/1068501617.db2.gz ANVLVMGCUHEOBA-UHFFFAOYSA-N 1 0 454.640 4.659 20 0 JJADRO CCOc1ccc(S(=O)(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC001463743887 1068510283 /nfs/dbraw/zinc/51/02/83/1068510283.db2.gz COZZPZCPHJQPIL-RUZDIDTESA-N 1 0 456.652 4.705 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001463760663 1068515992 /nfs/dbraw/zinc/51/59/92/1068515992.db2.gz FYKWSTLKFXEINE-JOCHJYFZSA-N 1 0 453.384 4.510 20 0 JJADRO Cc1ccccc1C(C)(C)NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001463764577 1068517087 /nfs/dbraw/zinc/51/70/87/1068517087.db2.gz QLDWCOGXOMFXKO-AZGAKELHSA-N 1 0 466.622 4.957 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2ccc(Br)s2)n1)Cc1ccccc1 ZINC001463769087 1068518254 /nfs/dbraw/zinc/51/82/54/1068518254.db2.gz HZYMRTRWTZNMGV-AWEZNQCLSA-N 1 0 450.427 4.537 20 0 JJADRO COc1cccc([C@H](CNC(=O)CSc2cc(C)c(Br)cc2C)[NH+](C)C)c1 ZINC001463770537 1068519388 /nfs/dbraw/zinc/51/93/88/1068519388.db2.gz QMIDZVXVBNBOOK-IBGZPJMESA-N 1 0 451.430 4.586 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)(C)C ZINC001463795161 1068526839 /nfs/dbraw/zinc/52/68/39/1068526839.db2.gz JGWZNQCEDIHLRA-FQEVSTJZSA-N 1 0 452.039 4.750 20 0 JJADRO CC(C)(C)OC(=O)N(CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001463795156 1068526910 /nfs/dbraw/zinc/52/69/10/1068526910.db2.gz JGOJTSQJCNPVNC-UHFFFAOYSA-N 1 0 458.002 4.862 20 0 JJADRO O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463826661 1068538882 /nfs/dbraw/zinc/53/88/82/1068538882.db2.gz VCRUKXQQZADSQH-FQEVSTJZSA-N 1 0 459.377 4.929 20 0 JJADRO CO[C@@H](CC(C)C)CS(=O)(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001463832186 1068540627 /nfs/dbraw/zinc/54/06/27/1068540627.db2.gz DTSVXMZLPKCBLN-DQEYMECFSA-N 1 0 450.689 4.534 20 0 JJADRO CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463839839 1068543660 /nfs/dbraw/zinc/54/36/60/1068543660.db2.gz ZDIMRSGADMPBQX-DZFGPLHGSA-N 1 0 452.039 4.923 20 0 JJADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001463842656 1068544866 /nfs/dbraw/zinc/54/48/66/1068544866.db2.gz YSBXVQFWVQNDLV-PCCBWWKXSA-N 1 0 451.577 4.940 20 0 JJADRO COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC001463842440 1068544900 /nfs/dbraw/zinc/54/49/00/1068544900.db2.gz MEDGFOZMLFMCHF-QFIPXVFZSA-N 1 0 458.558 4.808 20 0 JJADRO CCc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1CC ZINC001463844366 1068545500 /nfs/dbraw/zinc/54/55/00/1068545500.db2.gz GEJBEHLBHYZBMH-RRPNLBNLSA-N 1 0 466.622 4.897 20 0 JJADRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(C)c1 ZINC001463846205 1068546524 /nfs/dbraw/zinc/54/65/24/1068546524.db2.gz MWHCHULSBLWXRP-LOSJGSFVSA-N 1 0 452.595 4.697 20 0 JJADRO O=S(=O)(CCc1cccc(Cl)c1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001463848857 1068547082 /nfs/dbraw/zinc/54/70/82/1068547082.db2.gz WCGJHIZIZXVXAK-LOSJGSFVSA-N 1 0 473.013 4.609 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCNC(=O)COc3ccc(Cl)c4ccccc34)CC2)c1 ZINC001463876888 1068554038 /nfs/dbraw/zinc/55/40/38/1068554038.db2.gz LPVYENPRHAKFJE-UHFFFAOYSA-N 1 0 451.998 4.509 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001463898445 1068559413 /nfs/dbraw/zinc/55/94/13/1068559413.db2.gz XTIVQGNYNRGDMZ-XMMPIXPASA-N 1 0 451.611 4.793 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)Cn1c2ccccc2nc1-c1ccccc1)c1cccc(OC)c1 ZINC001463911014 1068563093 /nfs/dbraw/zinc/56/30/93/1068563093.db2.gz DNKAYMFQHJSKNN-SANMLTNESA-N 1 0 456.590 4.911 20 0 JJADRO CCOc1cc(NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)c(OCC)cc1NC(=O)c1ccccc1 ZINC001463954673 1068574280 /nfs/dbraw/zinc/57/42/80/1068574280.db2.gz DUBQRQXYHVEFPE-HXUWFJFHSA-N 1 0 453.583 4.795 20 0 JJADRO CC(C)(C)O[C@H]1C[C@H](NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001463975144 1068579792 /nfs/dbraw/zinc/57/97/92/1068579792.db2.gz JASYJRUMJGXYOP-NEWJYFPISA-N 1 0 477.070 4.574 20 0 JJADRO C[NH+](C)Cc1ccsc1C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001464042184 1068597610 /nfs/dbraw/zinc/59/76/10/1068597610.db2.gz MOHOVZZYXOQDLX-UHFFFAOYSA-N 1 0 459.011 4.677 20 0 JJADRO CC(C)(Cc1ccc(O)cc1)C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001464072085 1068604965 /nfs/dbraw/zinc/60/49/65/1068604965.db2.gz HGKTVVVJLQDZCG-UHFFFAOYSA-N 1 0 457.618 4.917 20 0 JJADRO Cc1cccc(CN(Cc2ccco2)C(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001464073061 1068605591 /nfs/dbraw/zinc/60/55/91/1068605591.db2.gz KRPCRWGDLIHZGB-UHFFFAOYSA-N 1 0 451.998 4.983 20 0 JJADRO CC[C@@H](CNC(=O)CCCC(=O)c1ccc(Br)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001464096921 1068614027 /nfs/dbraw/zinc/61/40/27/1068614027.db2.gz FATYQNBJMKMSEI-QFIPXVFZSA-N 1 0 457.412 4.755 20 0 JJADRO CC[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC001464101826 1068616139 /nfs/dbraw/zinc/61/61/39/1068616139.db2.gz SDSFTTXHABODTE-NRFANRHFSA-N 1 0 456.512 4.766 20 0 JJADRO CC[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001464103054 1068616195 /nfs/dbraw/zinc/61/61/95/1068616195.db2.gz XGKUSUIODUXEIM-BJKOFHAPSA-N 1 0 457.659 4.803 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H](C)c3ccc(Br)cc3)CC2)c1 ZINC001464103888 1068616857 /nfs/dbraw/zinc/61/68/57/1068616857.db2.gz SPNPKDJJYKBMSY-FQEVSTJZSA-N 1 0 458.444 4.580 20 0 JJADRO Cc1sc(Br)c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC001464117959 1068621122 /nfs/dbraw/zinc/62/11/22/1068621122.db2.gz BLPFFIAAMVNHDW-KBPBESRZSA-N 1 0 451.430 4.667 20 0 JJADRO Cc1sc(Br)c(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC001464117963 1068621186 /nfs/dbraw/zinc/62/11/86/1068621186.db2.gz BLPFFIAAMVNHDW-OKILXGFUSA-N 1 0 451.430 4.667 20 0 JJADRO COc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1OC1CCCC1 ZINC001464120271 1068621818 /nfs/dbraw/zinc/62/18/18/1068621818.db2.gz JVUNKDQJPVVNEM-PMACEKPBSA-N 1 0 452.595 4.556 20 0 JJADRO CCc1sc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Br ZINC001464122066 1068622392 /nfs/dbraw/zinc/62/23/92/1068622392.db2.gz OQFKTIOHVVSPHP-GASCZTMLSA-N 1 0 451.430 4.612 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)cc2)C[C@@H](C)O1 ZINC001464124011 1068623607 /nfs/dbraw/zinc/62/36/07/1068623607.db2.gz UZIHZAVFKGTLPH-HUUCEWRRSA-N 1 0 456.892 4.778 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc4c([nH]3)c(Br)ccc4C)cc2)CC1 ZINC001464125829 1068624248 /nfs/dbraw/zinc/62/42/48/1068624248.db2.gz NVRHBLUSUIDQBP-UHFFFAOYSA-N 1 0 455.400 4.629 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC001464149199 1068633807 /nfs/dbraw/zinc/63/38/07/1068633807.db2.gz BZPKEZRTHKNIBI-HXUWFJFHSA-N 1 0 451.611 4.873 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)NCc3ccccc3C[N@H+]3CCC[C@H](C)C3)c2)n1 ZINC001464154333 1068635734 /nfs/dbraw/zinc/63/57/34/1068635734.db2.gz CWVIHVQMPCRAIZ-SFHVURJKSA-N 1 0 459.594 4.705 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1 ZINC001464191867 1068650307 /nfs/dbraw/zinc/65/03/07/1068650307.db2.gz DZRZNDYFXWQZRP-ROUUACIJSA-N 1 0 457.018 4.841 20 0 JJADRO CSCc1nc2ccccc2n1CC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001464194365 1068651576 /nfs/dbraw/zinc/65/15/76/1068651576.db2.gz MXZBHLSUWOOKHF-BGYRXZFFSA-N 1 0 450.652 4.694 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001464199265 1068653547 /nfs/dbraw/zinc/65/35/47/1068653547.db2.gz LUZYTJHKKZWFQJ-QHCPKHFHSA-N 1 0 458.444 4.743 20 0 JJADRO C[C@@H](CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)[N@@H+]1CCCC[C@@H]1C ZINC001464201018 1068654243 /nfs/dbraw/zinc/65/42/43/1068654243.db2.gz QVYUPXOLIZGDEF-IRXDYDNUSA-N 1 0 458.400 4.694 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc1 ZINC001464203428 1068655580 /nfs/dbraw/zinc/65/55/80/1068655580.db2.gz CRFZPGNEFLPAPH-OAQYLSRUSA-N 1 0 450.366 4.846 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCCCN3C(=O)OC(C)(C)C)cc2)C1 ZINC001464209111 1068658751 /nfs/dbraw/zinc/65/87/51/1068658751.db2.gz FAYCPXIZAQBBIC-PQNGQFLHSA-N 1 0 457.659 4.960 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCN(CC3CC3)C(=O)OC(C)(C)C)cc2)C1 ZINC001464212064 1068659939 /nfs/dbraw/zinc/65/99/39/1068659939.db2.gz OTFSMBYSZKNAEZ-OYRHEFFESA-N 1 0 457.659 4.818 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001464215106 1068660454 /nfs/dbraw/zinc/66/04/54/1068660454.db2.gz IOKZTALGCDQBGX-DBXWQHBBSA-N 1 0 452.039 4.780 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3coc(CNC(=O)OC(C)(C)C)c3)cc2)C1 ZINC001464216896 1068661101 /nfs/dbraw/zinc/66/11/01/1068661101.db2.gz ZUFDVEYPAAUPTA-RTBURBONSA-N 1 0 455.599 4.712 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2scc(Br)c2Br)C1 ZINC001464218114 1068661761 /nfs/dbraw/zinc/66/17/61/1068661761.db2.gz OHWFEFPTESCLLR-RYUDHWBXSA-N 1 0 452.256 4.761 20 0 JJADRO COc1ccc(SCCC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1OC ZINC001464219264 1068662432 /nfs/dbraw/zinc/66/24/32/1068662432.db2.gz YBHDLGCIMYWTIO-BGYRXZFFSA-N 1 0 456.652 4.980 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001464220513 1068663066 /nfs/dbraw/zinc/66/30/66/1068663066.db2.gz SOURAALCQOHJIG-HOTGVXAUSA-N 1 0 453.414 4.850 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001464220521 1068663089 /nfs/dbraw/zinc/66/30/89/1068663089.db2.gz SOURAALCQOHJIG-IYBDPMFKSA-N 1 0 453.414 4.850 20 0 JJADRO Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@H](C)[NH+]3CCCCCC3)cc2)cc1 ZINC001464222215 1068663759 /nfs/dbraw/zinc/66/37/59/1068663759.db2.gz GLNFWEBADZPKRD-QFIPXVFZSA-N 1 0 451.611 4.673 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)/C=C/c2ccc(C)cc2)cc1 ZINC001464225510 1068665067 /nfs/dbraw/zinc/66/50/67/1068665067.db2.gz DSSNNQNCCJGFCI-WKKBHVDPSA-N 1 0 462.615 4.562 20 0 JJADRO Cc1nn(CC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001464230419 1068666439 /nfs/dbraw/zinc/66/64/39/1068666439.db2.gz FYJWYVHPLHAPDY-INIZCTEOSA-N 1 0 453.553 4.510 20 0 JJADRO CC(C)COc1ccc(S(=O)(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC001464233264 1068667777 /nfs/dbraw/zinc/66/77/77/1068667777.db2.gz WHHBOEOOXHROJS-UHFFFAOYSA-N 1 0 456.652 4.788 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 ZINC001464263415 1068680494 /nfs/dbraw/zinc/68/04/94/1068680494.db2.gz PYNKITAOXSQACN-XMMPIXPASA-N 1 0 451.611 4.507 20 0 JJADRO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CC(=O)Nc3ccccc3F)Cc3ccc(Cl)cc3)C[N@@H+]2C1 ZINC001464280820 1068689376 /nfs/dbraw/zinc/68/93/76/1068689376.db2.gz JPVNFQURWWBGAV-SLYNCCJLSA-N 1 0 457.977 4.567 20 0 JJADRO Cc1cccc(Oc2ccc(C(=O)NCCCC[NH+]3CCN(Cc4ccccc4)CC3)nc2)c1 ZINC001464281135 1068689451 /nfs/dbraw/zinc/68/94/51/1068689451.db2.gz LRSNKOOUIPVSHT-UHFFFAOYSA-N 1 0 458.606 4.510 20 0 JJADRO CC(C)(C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1csc(-c2cc(F)ccc2F)n1 ZINC001464312223 1068701106 /nfs/dbraw/zinc/70/11/06/1068701106.db2.gz RQQUGWFVOLNWRY-UHFFFAOYSA-N 1 0 456.562 4.542 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1ccsc1NC(=O)c1ccco1)[NH+]1CCCCC1 ZINC001464337777 1068711058 /nfs/dbraw/zinc/71/10/58/1068711058.db2.gz SDYAYCRGMHCLGO-IBGZPJMESA-N 1 0 453.564 4.559 20 0 JJADRO CCC1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CCOCC1 ZINC001546146276 1068712831 /nfs/dbraw/zinc/71/28/31/1068712831.db2.gz LMDYQKCAKRYTPQ-UHFFFAOYSA-N 1 0 489.655 4.911 20 0 JJADRO CO[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1ccc(Br)s1 ZINC001464395041 1068730355 /nfs/dbraw/zinc/73/03/55/1068730355.db2.gz AQQPKJVCNQPWCW-XLIONFOSSA-N 1 0 451.430 4.788 20 0 JJADRO C[C@@H]1CCC[C@@](CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)([NH+](C)C)C1 ZINC001464404260 1068734558 /nfs/dbraw/zinc/73/45/58/1068734558.db2.gz NFTLWXWWHZQQJC-QVKFZJNVSA-N 1 0 450.446 4.742 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464444728 1068748195 /nfs/dbraw/zinc/74/81/95/1068748195.db2.gz VELHWFUATGRQPL-ZKMPZPQNSA-N 1 0 469.670 4.688 20 0 JJADRO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001464452144 1068751420 /nfs/dbraw/zinc/75/14/20/1068751420.db2.gz OHCVJEQSXVVBAO-KRWDZBQOSA-N 1 0 451.640 4.705 20 0 JJADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001464452634 1068751435 /nfs/dbraw/zinc/75/14/35/1068751435.db2.gz XTIDKYOVMPXORJ-QZTJIDSGSA-N 1 0 459.516 4.532 20 0 JJADRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC001464466264 1068756554 /nfs/dbraw/zinc/75/65/54/1068756554.db2.gz SZVUGFJFPOOURV-ZHSJKAEUSA-N 1 0 454.014 4.502 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001464469565 1068758344 /nfs/dbraw/zinc/75/83/44/1068758344.db2.gz QAMUOSDUPFQRNG-KCZVDYSFSA-N 1 0 451.696 4.970 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001464489882 1068764201 /nfs/dbraw/zinc/76/42/01/1068764201.db2.gz RMVYBRBSZJBJQJ-PKTZIBPZSA-N 1 0 476.061 4.767 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC001464501496 1068767302 /nfs/dbraw/zinc/76/73/02/1068767302.db2.gz XILWZBMYCDQZEL-QFBILLFUSA-N 1 0 459.553 4.850 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)CCC[C@H]12 ZINC001464520715 1068771854 /nfs/dbraw/zinc/77/18/54/1068771854.db2.gz RWJNWSRWYFRTJN-WNCULLNHSA-N 1 0 455.643 4.859 20 0 JJADRO O=C(Cc1c(F)ccc(Br)c1F)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001464522241 1068772392 /nfs/dbraw/zinc/77/23/92/1068772392.db2.gz ZFBRQYRIVWAHKF-UHFFFAOYSA-N 1 0 451.355 4.962 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1c2c[nH]nc2CC[C@H]1C)[NH+](C)C ZINC001464537955 1068775664 /nfs/dbraw/zinc/77/56/64/1068775664.db2.gz HRFQLAJXDKWRNO-KBJGYGKASA-N 1 0 451.442 4.997 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C1 ZINC001464540764 1068776794 /nfs/dbraw/zinc/77/67/94/1068776794.db2.gz GEOUYAZIMDHPJZ-LJQANCHMSA-N 1 0 455.002 4.505 20 0 JJADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001464554997 1068780050 /nfs/dbraw/zinc/78/00/50/1068780050.db2.gz UZEPSDYPNCFLMU-IBGZPJMESA-N 1 0 457.496 4.818 20 0 JJADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC001464564652 1068783476 /nfs/dbraw/zinc/78/34/76/1068783476.db2.gz HVMXOAYJNIGCEF-UHFFFAOYSA-N 1 0 458.534 4.522 20 0 JJADRO Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1NC(=O)NC(C)(C)C ZINC001464565823 1068783564 /nfs/dbraw/zinc/78/35/64/1068783564.db2.gz PPGLGZADSMFPLU-UHFFFAOYSA-N 1 0 454.640 4.759 20 0 JJADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)C2)CC1 ZINC001464584047 1068791423 /nfs/dbraw/zinc/79/14/23/1068791423.db2.gz ZVTNOHXOLBZLNN-QGZVFWFLSA-N 1 0 452.496 4.614 20 0 JJADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001464587286 1068792090 /nfs/dbraw/zinc/79/20/90/1068792090.db2.gz PWNYMQAPOOXPTL-FQEVSTJZSA-N 1 0 451.677 4.652 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)[NH+]2CCCC2)cc1 ZINC001464598786 1068794849 /nfs/dbraw/zinc/79/48/49/1068794849.db2.gz UFIMEQHIEUKGGE-PXNSSMCTSA-N 1 0 458.628 4.604 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3)cc2Br)[NH+]2CCCC2)cc1 ZINC001464600308 1068795263 /nfs/dbraw/zinc/79/52/63/1068795263.db2.gz YAXFIVMLXFNZQC-NRFANRHFSA-N 1 0 453.384 4.510 20 0 JJADRO COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001464600327 1068795847 /nfs/dbraw/zinc/79/58/47/1068795847.db2.gz CMRMDNOQZIJMMX-GJZUVCINSA-N 1 0 450.623 4.546 20 0 JJADRO COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001464600328 1068795935 /nfs/dbraw/zinc/79/59/35/1068795935.db2.gz CMRMDNOQZIJMMX-NVQXNPDNSA-N 1 0 450.623 4.546 20 0 JJADRO COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC001464611958 1068798728 /nfs/dbraw/zinc/79/87/28/1068798728.db2.gz WCQPPOAWUZHBEK-UHFFFAOYSA-N 1 0 450.608 4.988 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC001464644707 1068809309 /nfs/dbraw/zinc/80/93/09/1068809309.db2.gz VYBUWHKQCAGUHH-UHFFFAOYSA-N 1 0 455.400 4.823 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001464646287 1068809792 /nfs/dbraw/zinc/80/97/92/1068809792.db2.gz DUFNIGOKCBIIHD-UHFFFAOYSA-N 1 0 450.671 4.950 20 0 JJADRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1c(F)c(F)c(Br)c(F)c1F ZINC001464646074 1068809942 /nfs/dbraw/zinc/80/99/42/1068809942.db2.gz CVVXKKXFBGLIBD-UHFFFAOYSA-N 1 0 451.302 4.780 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC001464646400 1068810492 /nfs/dbraw/zinc/81/04/92/1068810492.db2.gz FEDMNCXMHGADTB-XMMPIXPASA-N 1 0 457.659 4.673 20 0 JJADRO CCCN(C(=O)c1n[nH]c2ccc(Br)cc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464674371 1068820274 /nfs/dbraw/zinc/82/02/74/1068820274.db2.gz KDRLMPFHDMXRDI-LJQANCHMSA-N 1 0 455.400 4.842 20 0 JJADRO Cc1[nH]c(=O)c(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1-c1ccccc1 ZINC001464687170 1068825859 /nfs/dbraw/zinc/82/58/59/1068825859.db2.gz LAAQHOBFMPFQHF-UHFFFAOYSA-N 1 0 458.562 4.829 20 0 JJADRO C[C@@H](C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001464707887 1068832904 /nfs/dbraw/zinc/83/29/04/1068832904.db2.gz XSCYIQNIOMADPS-NRFANRHFSA-N 1 0 457.659 4.673 20 0 JJADRO O=C1CCCN1CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000013728063 555601955 /nfs/dbraw/zinc/60/19/55/555601955.db2.gz SNYPPMDGWGQARJ-UHFFFAOYSA-N 1 0 496.243 4.893 20 0 JJADRO FC(F)(c1ccc(-c2nc(Cl)nc3sc4c(c32)CCC4)cc1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389835 718825789 /nfs/dbraw/zinc/82/57/89/718825789.db2.gz JURNFECOIQUCQT-DLBZAZTESA-N 1 0 476.980 4.612 20 0 JJADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cnc1Cl ZINC001164406362 718865145 /nfs/dbraw/zinc/86/51/45/718865145.db2.gz GMPAQWCYOKIHEV-FZKQIMNGSA-N 1 0 461.862 4.780 20 0 JJADRO Cc1sc2nc(CN3CCCC3)nc(N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2c1C ZINC001164413319 718881525 /nfs/dbraw/zinc/88/15/25/718881525.db2.gz HSKFHKUULKFFLH-MRXNPFEDSA-N 1 0 453.578 4.557 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H](c3ncn4c3cccc4Br)C2)nc1 ZINC001164420308 718891014 /nfs/dbraw/zinc/89/10/14/718891014.db2.gz TZAIITGWYOQOIL-QUCCMNQESA-N 1 0 470.415 4.617 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@H](c3ncn4c3cccc4Br)C2)nc1 ZINC001164420274 718891215 /nfs/dbraw/zinc/89/12/15/718891215.db2.gz TZAIITGWYOQOIL-AZUAARDMSA-N 1 0 470.415 4.617 20 0 JJADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1C ZINC001164416226 718893009 /nfs/dbraw/zinc/89/30/09/718893009.db2.gz CDWAQKUKCXAWKZ-HXUWFJFHSA-N 1 0 485.698 4.521 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164615602 719009310 /nfs/dbraw/zinc/00/93/10/719009310.db2.gz JDWKAGHPJXKLCE-AOMKIAJQSA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC2)CC1 ZINC001164618040 719032191 /nfs/dbraw/zinc/03/21/91/719032191.db2.gz RIPLEMYROZEGQR-UHFFFAOYSA-N 1 0 478.971 4.586 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccccc4Cl)nc(C)c3C)CC2)CC1 ZINC001164618630 719033108 /nfs/dbraw/zinc/03/31/08/719033108.db2.gz WNTKPVOGITZAOM-UHFFFAOYSA-N 1 0 457.018 4.658 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)CC2)CC1 ZINC001164616510 719033240 /nfs/dbraw/zinc/03/32/40/719033240.db2.gz DYUXVCOGMGAHTK-UHFFFAOYSA-N 1 0 475.058 4.591 20 0 JJADRO c1ccc([C@H]2C[NH2+]C[C@@]23CCN(c2nc(CN4CCCCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164621340 719047918 /nfs/dbraw/zinc/04/79/18/719047918.db2.gz IOSXPNQZAUKYGW-SKCUWOTOSA-N 1 0 473.690 4.749 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630149 719095289 /nfs/dbraw/zinc/09/52/89/719095289.db2.gz VPVMXYCMZBVLMK-PMACEKPBSA-N 1 0 455.940 4.838 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629865 719101564 /nfs/dbraw/zinc/10/15/64/719101564.db2.gz TZAOTUQRXUFJQE-AZUAARDMSA-N 1 0 455.940 4.838 20 0 JJADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]2CF)CC1 ZINC001164621076 719122945 /nfs/dbraw/zinc/12/29/45/719122945.db2.gz KJLPPNBCKCTLQD-WMZOPIPTSA-N 1 0 471.671 4.919 20 0 JJADRO [NH3+]C1([C@H]2CN(C(F)(F)c3cc(-c4ccccc4C(F)(F)F)nnc3Cl)C[C@@H]2CF)CC1 ZINC001164624146 719126539 /nfs/dbraw/zinc/12/65/39/719126539.db2.gz UBFBSALVLDGBLG-NHYWBVRUSA-N 1 0 464.841 4.874 20 0 JJADRO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164638327 719261071 /nfs/dbraw/zinc/26/10/71/719261071.db2.gz OLBBQUMAHMNDNX-VYCLJVNGSA-N 1 0 469.633 4.910 20 0 JJADRO c1sc([C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3O2)nc1C1CC1 ZINC001164645069 719288194 /nfs/dbraw/zinc/28/81/94/719288194.db2.gz BGJQFYFGKUXVLC-TUSQITKMSA-N 1 0 458.631 4.940 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164663186 719344615 /nfs/dbraw/zinc/34/46/15/719344615.db2.gz VVTFKEAKZJNIDG-FKBYEOEOSA-N 1 0 467.988 4.600 20 0 JJADRO CC(C)N(C)Cc1nn(-c2ncnc3cc(-c4ccc(Cl)cc4)sc32)c2c1CC[NH2+]C2 ZINC001164679477 719638175 /nfs/dbraw/zinc/63/81/75/719638175.db2.gz BWAPRESCBIESIF-UHFFFAOYSA-N 1 0 453.015 4.683 20 0 JJADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccsc3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164680168 719644315 /nfs/dbraw/zinc/64/43/15/719644315.db2.gz QXOSQHUKCAPGCA-UHFFFAOYSA-N 1 0 478.691 4.970 20 0 JJADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)c2c1CC[NH2+]C2 ZINC001164679600 719645140 /nfs/dbraw/zinc/64/51/40/719645140.db2.gz IKILJNWPDBBORY-UHFFFAOYSA-N 1 0 463.935 4.821 20 0 JJADRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679553 719647794 /nfs/dbraw/zinc/64/77/94/719647794.db2.gz GHTOGUKJCAFRNG-UHFFFAOYSA-N 1 0 454.578 4.608 20 0 JJADRO CSc1nc2sccc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683425 719659296 /nfs/dbraw/zinc/65/92/96/719659296.db2.gz VLRNKVZDTMZEIJ-GOSISDBHSA-N 1 0 495.718 4.507 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4cc(Cl)ccc43)CC2)c2ccccc21 ZINC001164680037 719664452 /nfs/dbraw/zinc/66/44/52/719664452.db2.gz CVZDUPKJCBEJQM-NRFANRHFSA-N 1 0 477.052 4.982 20 0 JJADRO Cc1cc(Cl)ncc1C(F)(F)N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680473 719668907 /nfs/dbraw/zinc/66/89/07/719668907.db2.gz FXEMGVMCZMXWMF-LJQANCHMSA-N 1 0 491.026 4.682 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4cccc(Cl)c43)CC2)c2ccccc21 ZINC001164685941 719669904 /nfs/dbraw/zinc/66/99/04/719669904.db2.gz WGRMZDWSFZZQRP-NRFANRHFSA-N 1 0 477.052 4.982 20 0 JJADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681532 719672346 /nfs/dbraw/zinc/67/23/46/719672346.db2.gz MMIAOFKYCLZZJS-LJQANCHMSA-N 1 0 491.026 4.682 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(C(F)F)nc4ccccc43)CC2)c2ccccc21 ZINC001164680318 719679355 /nfs/dbraw/zinc/67/93/55/719679355.db2.gz CTJVYBNQWCTWGY-IBGZPJMESA-N 1 0 493.602 4.661 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(C(F)F)nc4ccccc43)CC2)c2ccccc21 ZINC001164680325 719679408 /nfs/dbraw/zinc/67/94/08/719679408.db2.gz CTJVYBNQWCTWGY-LJQANCHMSA-N 1 0 493.602 4.661 20 0 JJADRO Cc1cccc2ccnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164683028 719680244 /nfs/dbraw/zinc/68/02/44/719680244.db2.gz QQMZXFVGWMWQOT-HSZRJFAPSA-N 1 0 456.634 4.637 20 0 JJADRO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682025 719682985 /nfs/dbraw/zinc/68/29/85/719682985.db2.gz BLOGMMLMFMVDIP-OAQYLSRUSA-N 1 0 496.099 4.799 20 0 JJADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3cccnc3)nc3sc(-c4ccccc4)cc31)CC2 ZINC001164689570 719742103 /nfs/dbraw/zinc/74/21/03/719742103.db2.gz IDEXNVMBVKXCNU-UHFFFAOYSA-N 1 0 498.656 4.601 20 0 JJADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(C3CCCCC3)c1)CC2 ZINC001164693378 719758755 /nfs/dbraw/zinc/75/87/55/719758755.db2.gz ZCLKEDBNQPXUKO-UHFFFAOYSA-N 1 0 454.993 4.508 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1Cl ZINC001164691875 719805739 /nfs/dbraw/zinc/80/57/39/719805739.db2.gz LKHNEPFVTWGRKM-UHFFFAOYSA-N 1 0 469.438 4.965 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc(Oc4cccc(F)c4)n2)CC3)cs1 ZINC001164691612 719810848 /nfs/dbraw/zinc/81/08/48/719810848.db2.gz IMXPRJOTWAOJBJ-UHFFFAOYSA-N 1 0 474.993 4.856 20 0 JJADRO COc1ccc(Oc2cc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)nc(C)n2)cc1 ZINC001164692132 719815666 /nfs/dbraw/zinc/81/56/66/719815666.db2.gz MEWTZQOFKDQCTJ-UHFFFAOYSA-N 1 0 465.623 4.986 20 0 JJADRO Clc1nc2c(c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n1)CN(Cc1ccccc1)C2 ZINC001164695045 719889867 /nfs/dbraw/zinc/88/98/67/719889867.db2.gz JRYCYGRMWMETPD-UHFFFAOYSA-N 1 0 496.080 4.579 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696226 719897905 /nfs/dbraw/zinc/89/79/05/719897905.db2.gz COTRUZKAAWUMBT-UHFFFAOYSA-N 1 0 491.995 4.670 20 0 JJADRO Fc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001164707936 719898500 /nfs/dbraw/zinc/89/85/00/719898500.db2.gz ZUDJZJDWKSMQIY-UHFFFAOYSA-N 1 0 474.989 4.994 20 0 JJADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164705465 719901442 /nfs/dbraw/zinc/90/14/42/719901442.db2.gz BZZYCNSFGBUNPI-HSZRJFAPSA-N 1 0 489.016 4.857 20 0 JJADRO CCO[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@H]2CCCO[C@H]12 ZINC001164715172 720062630 /nfs/dbraw/zinc/06/26/30/720062630.db2.gz RYHLOHCVYRFLSE-ARNLJNQMSA-N 1 0 484.040 4.529 20 0 JJADRO CC(C)n1nc(CN(c2nccs2)c2nc(Cl)ccc2CN2CCCC2)c2c1C[NH2+]CC2 ZINC001164710758 720091539 /nfs/dbraw/zinc/09/15/39/720091539.db2.gz LWQTVJJCDNSMSN-UHFFFAOYSA-N 1 0 472.062 4.549 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)C2 ZINC001164807482 720093607 /nfs/dbraw/zinc/09/36/07/720093607.db2.gz FSFJQXVHXPFBPX-SVEHJYQDSA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(OC)cc3)nc3ccc(F)cc31)C2 ZINC001164809758 720093830 /nfs/dbraw/zinc/09/38/30/720093830.db2.gz JYKNMLMYRRDXDZ-LYZGTLIUSA-N 1 0 476.596 4.629 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164712515 720094109 /nfs/dbraw/zinc/09/41/09/720094109.db2.gz WKXCLCBINWCMAK-LJQANCHMSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164808183 720112558 /nfs/dbraw/zinc/11/25/58/720112558.db2.gz DVWDMKSUOGJMHP-VFNWGFHPSA-N 1 0 487.378 4.546 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164718026 720116208 /nfs/dbraw/zinc/11/62/08/720116208.db2.gz QNBLHNPKBHUCSA-GOSISDBHSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164714887 720119365 /nfs/dbraw/zinc/11/93/65/720119365.db2.gz DIHOLGOAYAFKRN-NRFANRHFSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164816141 720123368 /nfs/dbraw/zinc/12/33/68/720123368.db2.gz XSOALVWGGURBCS-HRAATJIYSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164710778 720128096 /nfs/dbraw/zinc/12/80/96/720128096.db2.gz CHZJFINOAFHPBP-NRFANRHFSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164711224 720130648 /nfs/dbraw/zinc/13/06/48/720130648.db2.gz GFHRWQNMGWHXLX-GOSISDBHSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164711767 720143555 /nfs/dbraw/zinc/14/35/55/720143555.db2.gz JYRDLIBUOJYVHS-HSZRJFAPSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164711769 720143571 /nfs/dbraw/zinc/14/35/71/720143571.db2.gz JYRDLIBUOJYVHS-QHCPKHFHSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164712479 720147292 /nfs/dbraw/zinc/14/72/92/720147292.db2.gz MNFFVAJZPFVUGK-VWLOTQADSA-N 1 0 476.596 4.702 20 0 JJADRO CCc1ccc(-c2ccc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)nn2)cc1 ZINC001164711340 720149224 /nfs/dbraw/zinc/14/92/24/720149224.db2.gz HIYUIPNARWPJCR-VWLOTQADSA-N 1 0 457.622 4.609 20 0 JJADRO CCN(c1ccccc1)c1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164713123 720149878 /nfs/dbraw/zinc/14/98/78/720149878.db2.gz RDBRXXKEPGVUPW-VWLOTQADSA-N 1 0 472.637 4.537 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164711759 720150630 /nfs/dbraw/zinc/15/06/30/720150630.db2.gz JTWDUQNBVKLCSH-LJQANCHMSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164710387 720151374 /nfs/dbraw/zinc/15/13/74/720151374.db2.gz ANMZOEDAWLHVQL-OAQYLSRUSA-N 1 0 486.645 4.656 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164711906 720156400 /nfs/dbraw/zinc/15/64/00/720156400.db2.gz DNAVWOZFKGWIPP-SFHVURJKSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164716061 720157312 /nfs/dbraw/zinc/15/73/12/720157312.db2.gz XJOJQSTVEJKOGI-IBGZPJMESA-N 1 0 476.999 4.671 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)C2 ZINC001164814263 720163359 /nfs/dbraw/zinc/16/33/59/720163359.db2.gz FIEBEFHKHPIDII-UQBPGWFLSA-N 1 0 452.599 4.682 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(OC)cc4)c31)C2 ZINC001164812989 720164437 /nfs/dbraw/zinc/16/44/37/720164437.db2.gz BHMLOHPFCXRDAA-FNZWTVRRSA-N 1 0 464.635 4.552 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3scc(-c4cccs4)c31)C2 ZINC001164816902 720170695 /nfs/dbraw/zinc/17/06/95/720170695.db2.gz NPVLIRRFZFHHCF-MHECFPHRSA-N 1 0 454.665 4.913 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CSC)nc3sc4c(c31)CCCC4)C2 ZINC001164818213 720170961 /nfs/dbraw/zinc/17/09/61/720170961.db2.gz SHIJFJXUMAFORW-AVRWGWEMSA-N 1 0 472.724 4.618 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164818443 720172746 /nfs/dbraw/zinc/17/27/46/720172746.db2.gz SVAMBPPDRIOUQN-OFNKIYASSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164818444 720172913 /nfs/dbraw/zinc/17/29/13/720172913.db2.gz SVAMBPPDRIOUQN-REWPJTCUSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)C2 ZINC001164814304 720182278 /nfs/dbraw/zinc/18/22/78/720182278.db2.gz FPSZJQJCOWBPOU-GGXMVOPNSA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164815077 720182418 /nfs/dbraw/zinc/18/24/18/720182418.db2.gz HWZCTTOZNNHWPE-NFBKMPQASA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164815079 720182448 /nfs/dbraw/zinc/18/24/48/720182448.db2.gz HWZCTTOZNNHWPE-OFNKIYASSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cc3ccc(Cl)cc3)c(C)n1)C2 ZINC001164818740 720193766 /nfs/dbraw/zinc/19/37/66/720193766.db2.gz ULFOBBGBLMNEJI-NVQXNPDNSA-N 1 0 455.046 4.522 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)C2 ZINC001164810758 720198180 /nfs/dbraw/zinc/19/81/80/720198180.db2.gz CNAOYXDFWDTQKN-UZUQRXQVSA-N 1 0 463.409 4.760 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)C2 ZINC001164810755 720198229 /nfs/dbraw/zinc/19/82/29/720198229.db2.gz CNAOYXDFWDTQKN-SBUREZEXSA-N 1 0 463.409 4.760 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)C2 ZINC001164815437 720203086 /nfs/dbraw/zinc/20/30/86/720203086.db2.gz ZGBUOYOLLFAZMG-DVECYGJZSA-N 1 0 492.998 4.535 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)C2 ZINC001164814675 720203587 /nfs/dbraw/zinc/20/35/87/720203587.db2.gz WANOYKZHJLBOIF-YKSBVNFPSA-N 1 0 476.999 4.835 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164815259 720203920 /nfs/dbraw/zinc/20/39/20/720203920.db2.gz YAMYNMIOGDVKJS-GAJHUEQPSA-N 1 0 480.962 4.666 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164815182 720204040 /nfs/dbraw/zinc/20/40/40/720204040.db2.gz WUWBSXSAJIBRHQ-JPYJTQIMSA-N 1 0 480.962 4.666 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164814576 720205013 /nfs/dbraw/zinc/20/50/13/720205013.db2.gz UNYJOTWJEPDLMD-FDDCHVKYSA-N 1 0 454.005 4.734 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c3ccccc32)cc1C ZINC001164812126 720235921 /nfs/dbraw/zinc/23/59/21/720235921.db2.gz BQKPSDWRYRDNOS-UHFFFAOYSA-N 1 0 482.632 4.721 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3cc(Cl)c(Cl)cc3nc2Cl)CC1 ZINC001164827945 720307909 /nfs/dbraw/zinc/30/79/09/720307909.db2.gz YPKMIHFYEFKSLB-OALUTQOASA-N 1 0 482.843 4.502 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC001164827970 720336985 /nfs/dbraw/zinc/33/69/85/720336985.db2.gz NIHJKWCDTVEFEJ-SVBPBHIXSA-N 1 0 454.618 4.813 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3ccccc3)nc(-c3cccs3)n2)CC1 ZINC001164831686 720344521 /nfs/dbraw/zinc/34/45/21/720344521.db2.gz ZNSYAXFMPYZWBM-BJKOFHAPSA-N 1 0 487.673 4.784 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1 ZINC001164831613 720345474 /nfs/dbraw/zinc/34/54/74/720345474.db2.gz ZBYXTJAAXUIGLC-IZLXSDGUSA-N 1 0 481.644 4.722 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1 ZINC001164831616 720345599 /nfs/dbraw/zinc/34/55/99/720345599.db2.gz ZBYXTJAAXUIGLC-WUFINQPMSA-N 1 0 481.644 4.722 20 0 JJADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735094 720463987 /nfs/dbraw/zinc/46/39/87/720463987.db2.gz VYEUMVXRBBRGKS-GOTSBHOMSA-N 1 0 470.646 4.668 20 0 JJADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735095 720465150 /nfs/dbraw/zinc/46/51/50/720465150.db2.gz VYEUMVXRBBRGKS-PKTZIBPZSA-N 1 0 470.646 4.668 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725775 720495818 /nfs/dbraw/zinc/49/58/18/720495818.db2.gz KDZVELVOFGFTBO-MDBQKXLBSA-N 1 0 482.644 4.882 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164735567 720544782 /nfs/dbraw/zinc/54/47/82/720544782.db2.gz PPGWGBVUANWTHD-GOSISDBHSA-N 1 0 450.961 4.858 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164735306 720545652 /nfs/dbraw/zinc/54/56/52/720545652.db2.gz OKBMANFCAUNXHA-ZDUSSCGKSA-N 1 0 459.368 4.998 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c(Cl)nn2)c1 ZINC001164733741 720547287 /nfs/dbraw/zinc/54/72/87/720547287.db2.gz QTYZYECEKQABSM-QGZVFWFLSA-N 1 0 480.987 4.867 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c(Cl)nn2)c1 ZINC001164733740 720547639 /nfs/dbraw/zinc/54/76/39/720547639.db2.gz QTYZYECEKQABSM-KRWDZBQOSA-N 1 0 480.987 4.867 20 0 JJADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)n1 ZINC001164734877 720547759 /nfs/dbraw/zinc/54/77/59/720547759.db2.gz LAKGHGYPIUCMRO-FQEVSTJZSA-N 1 0 479.694 4.936 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164834199 720567172 /nfs/dbraw/zinc/56/71/72/720567172.db2.gz CQZZBNDRRSWOJO-HKBOAZHASA-N 1 0 486.998 4.916 20 0 JJADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3c1c(-c1ccccc1)cn3-c1ccccc1)CC2 ZINC001164736493 720582061 /nfs/dbraw/zinc/58/20/61/720582061.db2.gz LTIDCGDKPHACSO-UHFFFAOYSA-N 1 0 489.627 4.943 20 0 JJADRO Fc1ccccc1-c1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cnc1Cl ZINC001164736277 720587410 /nfs/dbraw/zinc/58/74/10/720587410.db2.gz GJNWDRVAPIMPMF-UHFFFAOYSA-N 1 0 475.946 4.941 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164743683 720598935 /nfs/dbraw/zinc/59/89/35/720598935.db2.gz PZQQDMWVYRVPOK-UHFFFAOYSA-N 1 0 463.985 4.863 20 0 JJADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164844217 720600441 /nfs/dbraw/zinc/60/04/41/720600441.db2.gz ZZLQGJYNGZIILE-WOIUINJBSA-N 1 0 482.028 4.639 20 0 JJADRO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cccn6)[N@@H+]5C(C)C)C4)c23)cc1 ZINC001164843514 720601275 /nfs/dbraw/zinc/60/12/75/720601275.db2.gz XOKKSTZAZCMTQT-YZUZCNPQSA-N 1 0 488.661 4.941 20 0 JJADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164836138 720604033 /nfs/dbraw/zinc/60/40/33/720604033.db2.gz DVPPBORPQPWQJQ-DNVJHFABSA-N 1 0 487.677 4.944 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164843251 720604049 /nfs/dbraw/zinc/60/40/49/720604049.db2.gz XAYGBVJBVLGZBO-RJGXRXQPSA-N 1 0 495.741 4.724 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839259 720604251 /nfs/dbraw/zinc/60/42/51/720604251.db2.gz MYRAXUQKLLAXNR-NKKJXINNSA-N 1 0 479.028 4.562 20 0 JJADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164840255 720604594 /nfs/dbraw/zinc/60/45/94/720604594.db2.gz POQBGAIMDIIBHP-JIMJEQGWSA-N 1 0 483.664 4.671 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844190 720608729 /nfs/dbraw/zinc/60/87/29/720608729.db2.gz ZTBOZWMEOZJPOM-SXWKCWPCSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839321 720610087 /nfs/dbraw/zinc/61/00/87/720610087.db2.gz NGHZYHZDLHQDOL-FUHIMQAGSA-N 1 0 493.027 4.978 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836789 720630702 /nfs/dbraw/zinc/63/07/02/720630702.db2.gz GXKVXQZOTXZAPM-MAARLIENSA-N 1 0 485.680 4.708 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164839770 720691655 /nfs/dbraw/zinc/69/16/55/720691655.db2.gz BRHSAFDCUKSCDF-RUZDIDTESA-N 1 0 456.590 4.594 20 0 JJADRO Clc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1-c1ccccc1 ZINC001164742584 720692954 /nfs/dbraw/zinc/69/29/54/720692954.db2.gz VUJGFMLUNJLSOZ-VXKWHMMOSA-N 1 0 484.991 4.596 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164841296 720696030 /nfs/dbraw/zinc/69/60/30/720696030.db2.gz IXWVRSJLEOMGIX-QHCPKHFHSA-N 1 0 455.046 4.591 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164837696 720706371 /nfs/dbraw/zinc/70/63/71/720706371.db2.gz GUPPQZBQZJTHFU-QGZVFWFLSA-N 1 0 471.379 4.674 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164837695 720706718 /nfs/dbraw/zinc/70/67/18/720706718.db2.gz GUPPQZBQZJTHFU-KRWDZBQOSA-N 1 0 471.379 4.674 20 0 JJADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164840942 720709103 /nfs/dbraw/zinc/70/91/03/720709103.db2.gz STKXQYRJJBACRM-NRFANRHFSA-N 1 0 495.023 4.720 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164836976 720718599 /nfs/dbraw/zinc/71/85/99/720718599.db2.gz CFWYIFYUJDFFBJ-DEOSSOPVSA-N 1 0 486.616 4.565 20 0 JJADRO COc1ccc(Oc2cc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc(C)n2)cc1 ZINC001164839001 720724722 /nfs/dbraw/zinc/72/47/22/720724722.db2.gz KBTPTDPFYGMYOE-QHCPKHFHSA-N 1 0 474.605 4.846 20 0 JJADRO COc1ccccc1-c1cc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(Cl)nn1 ZINC001164844382 720740158 /nfs/dbraw/zinc/74/01/58/720740158.db2.gz QXGQINUHYWHRBF-UHFFFAOYSA-N 1 0 488.970 4.599 20 0 JJADRO Fc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c(Cl)nn2)c1 ZINC001164843935 720740919 /nfs/dbraw/zinc/74/09/19/720740919.db2.gz MSJIPMJBHAVNOE-UHFFFAOYSA-N 1 0 476.934 4.730 20 0 JJADRO COC[C@]12CCC[C@@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)C2 ZINC001164849624 720790808 /nfs/dbraw/zinc/79/08/08/720790808.db2.gz SEHRAJBHVSGWHJ-FQRUVTKNSA-N 1 0 482.024 4.650 20 0 JJADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745139 720822123 /nfs/dbraw/zinc/82/21/23/720822123.db2.gz WPWFTVWSKLVHGO-HGHGUNKESA-N 1 0 457.409 4.513 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c23)cc1 ZINC001164742869 720823917 /nfs/dbraw/zinc/82/39/17/720823917.db2.gz RBZJTFCWGZCXQZ-AOHZBQACSA-N 1 0 485.661 4.638 20 0 JJADRO COC[C@@]12CCCO[C@@H]1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164846025 720827087 /nfs/dbraw/zinc/82/70/87/720827087.db2.gz COUCEAPTAYEJRE-SQHAQQRYSA-N 1 0 498.067 4.778 20 0 JJADRO c1ncn(C[C@H]2C[C@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746555 720845480 /nfs/dbraw/zinc/84/54/80/720845480.db2.gz OLKGYZHPMKCIAN-VYKTZEHYSA-N 1 0 464.617 4.873 20 0 JJADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164752614 720852037 /nfs/dbraw/zinc/85/20/37/720852037.db2.gz SZEDINHPHQHKGD-IUAQSZDVSA-N 1 0 491.643 4.782 20 0 JJADRO COc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(C)cc2c1 ZINC001164754910 720869715 /nfs/dbraw/zinc/86/97/15/720869715.db2.gz UMUYZZUZKYUCQF-IRPSRAIASA-N 1 0 472.633 4.702 20 0 JJADRO Fc1ccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755434 720874955 /nfs/dbraw/zinc/87/49/55/720874955.db2.gz WWUBVFLEBGJWCA-FQRUVTKNSA-N 1 0 482.003 4.572 20 0 JJADRO Clc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164749006 720875886 /nfs/dbraw/zinc/87/58/86/720875886.db2.gz GCICKAOIXVYLNW-UFHPHHKVSA-N 1 0 490.051 4.947 20 0 JJADRO Fc1cc2nc(Cl)c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2cc1F ZINC001164757827 720884831 /nfs/dbraw/zinc/88/48/31/720884831.db2.gz VTSRABNHPMKMGM-SIBVEZHUSA-N 1 0 499.993 4.712 20 0 JJADRO COc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757177 720890416 /nfs/dbraw/zinc/89/04/16/720890416.db2.gz UCLRIZVQUXRIMI-OUTSHDOLSA-N 1 0 472.633 4.702 20 0 JJADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757175 720890440 /nfs/dbraw/zinc/89/04/40/720890440.db2.gz UCLRIZVQUXRIMI-FUFSCUOVSA-N 1 0 472.633 4.702 20 0 JJADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753297 720890930 /nfs/dbraw/zinc/89/09/30/720890930.db2.gz GKAZGIYECRRPJG-CUNXSJBXSA-N 1 0 478.040 4.742 20 0 JJADRO Cc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164755028 720892604 /nfs/dbraw/zinc/89/26/04/720892604.db2.gz KJOGDUGLVIAXCI-XUZZJYLKSA-N 1 0 476.999 4.738 20 0 JJADRO Fc1cc2ncnc(Cl)c2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164757134 720904367 /nfs/dbraw/zinc/90/43/67/720904367.db2.gz SUTSWZFAQRKNCX-RXFWQSSRSA-N 1 0 482.003 4.572 20 0 JJADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751545 720905692 /nfs/dbraw/zinc/90/56/92/720905692.db2.gz MRQONGGIIRIPFI-WXVAWEFUSA-N 1 0 495.071 4.816 20 0 JJADRO Cc1c[nH]c2nc(Cl)cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754665 720907666 /nfs/dbraw/zinc/90/76/66/720907666.db2.gz WWCJPVUVIFFCKJ-QFQXNSOFSA-N 1 0 466.029 4.675 20 0 JJADRO Cc1cccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164750833 720912177 /nfs/dbraw/zinc/91/21/77/720912177.db2.gz KRGKFKSEEIFLBS-WNJJXGMVSA-N 1 0 469.633 4.602 20 0 JJADRO CC(C)c1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748542 720912979 /nfs/dbraw/zinc/91/29/79/720912979.db2.gz GURXFGIMUSRABH-IRPSRAIASA-N 1 0 471.649 4.903 20 0 JJADRO Clc1cccc(-c2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)c1 ZINC001164746489 720916003 /nfs/dbraw/zinc/91/60/03/720916003.db2.gz AYSUBMWCHBNGFT-CUBQBAPOSA-N 1 0 490.051 4.947 20 0 JJADRO FC(F)c1nc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755182 720918243 /nfs/dbraw/zinc/91/82/43/720918243.db2.gz ZJGVTNCFWDPXGC-JIPXPUAJSA-N 1 0 479.575 4.718 20 0 JJADRO FC(F)c1nc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755183 720919009 /nfs/dbraw/zinc/91/90/09/720919009.db2.gz ZJGVTNCFWDPXGC-KDYSTLNUSA-N 1 0 479.575 4.718 20 0 JJADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccsc2)n1 ZINC001164750159 720921104 /nfs/dbraw/zinc/92/11/04/720921104.db2.gz JMWZPVBJDLIBAN-SQHAQQRYSA-N 1 0 475.662 4.664 20 0 JJADRO CCN(c1ccccc1)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164749100 720925777 /nfs/dbraw/zinc/92/57/77/720925777.db2.gz HSGAXAWGICVWQU-YZNIXAGQSA-N 1 0 498.675 4.785 20 0 JJADRO Fc1ccc2nc(C(F)F)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164752970 720928618 /nfs/dbraw/zinc/92/86/18/720928618.db2.gz PRDSACQKEBIZMO-DCFHFQCYSA-N 1 0 497.565 4.857 20 0 JJADRO COc1cc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1F ZINC001164749087 720934030 /nfs/dbraw/zinc/93/40/30/720934030.db2.gz HROGDUJBBKXPJQ-LXFBAYGMSA-N 1 0 476.596 4.533 20 0 JJADRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1-c1ccccc1F ZINC001164746531 720934104 /nfs/dbraw/zinc/93/41/04/720934104.db2.gz BKKKLGNNJMIMLN-FUFSCUOVSA-N 1 0 487.623 4.741 20 0 JJADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747415 720935194 /nfs/dbraw/zinc/93/51/94/720935194.db2.gz CZEAOYVPIPANSK-YIXXDRMTSA-N 1 0 482.072 4.856 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C2CC2)n1 ZINC001164747809 720935697 /nfs/dbraw/zinc/93/56/97/720935697.db2.gz DJYMSTFMVZSMLJ-NBGIEHNGSA-N 1 0 488.463 4.811 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C2CC2)n1 ZINC001164747806 720936859 /nfs/dbraw/zinc/93/68/59/720936859.db2.gz DJYMSTFMVZSMLJ-CPJSRVTESA-N 1 0 488.463 4.811 20 0 JJADRO CC(C)(c1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754655 720937795 /nfs/dbraw/zinc/93/77/95/720937795.db2.gz WUDLPVWAPZLKEX-BVAGGSTKSA-N 1 0 455.046 4.616 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)[C@H]2C ZINC001164860002 720955766 /nfs/dbraw/zinc/95/57/66/720955766.db2.gz OZHQRBTWTCCWNY-FQEVSTJZSA-N 1 0 453.594 4.824 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)[C@@H]2C ZINC001164859687 721002976 /nfs/dbraw/zinc/00/29/76/721002976.db2.gz LJIMCQMRXYZQLI-LJQANCHMSA-N 1 0 493.725 4.784 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)[C@H]2C ZINC001164860693 721003121 /nfs/dbraw/zinc/00/31/21/721003121.db2.gz PNFZHZKWCXATBD-KRWDZBQOSA-N 1 0 452.990 4.605 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)[C@@H]2C ZINC001164857363 721015226 /nfs/dbraw/zinc/01/52/26/721015226.db2.gz DKSVPINXNCAEJI-GFCCVEGCSA-N 1 0 451.871 4.917 20 0 JJADRO Cc1ccc(C[NH+]2CCC3(CCN(C(F)(F)c4cnc(Cl)cc4C(N)=O)CC3)CC2)cc1 ZINC001164758738 721045362 /nfs/dbraw/zinc/04/53/62/721045362.db2.gz BABSFAAPZPDVFE-UHFFFAOYSA-N 1 0 462.972 4.570 20 0 JJADRO Cc1ccc(C[NH+]2CCC3(CCN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)CC3)CC2)cc1 ZINC001164759159 721046031 /nfs/dbraw/zinc/04/60/31/721046031.db2.gz ICEQXUYXVLJHCQ-UHFFFAOYSA-N 1 0 460.960 4.694 20 0 JJADRO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760640 721046743 /nfs/dbraw/zinc/04/67/43/721046743.db2.gz ZAKOBWKXZNJPDF-UHFFFAOYSA-N 1 0 450.961 4.875 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3CC)[C@@H]2COCc2ccccc2)nc1 ZINC001164771571 721049472 /nfs/dbraw/zinc/04/94/72/721049472.db2.gz MVQSJFKHRRZHCM-AHWVRZQESA-N 1 0 474.653 4.951 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164770596 721116016 /nfs/dbraw/zinc/11/60/16/721116016.db2.gz RELBOINYQSDZQA-CVEARBPZSA-N 1 0 466.363 4.778 20 0 JJADRO Clc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c23)cc1 ZINC001164872110 721139943 /nfs/dbraw/zinc/13/99/43/721139943.db2.gz GQODPWVYGUAITD-SFTDATJTSA-N 1 0 478.021 4.886 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164874468 721144270 /nfs/dbraw/zinc/14/42/70/721144270.db2.gz KBYKZAPHSNBSKZ-PMACEKPBSA-N 1 0 477.659 4.911 20 0 JJADRO c1csc(-c2nc3sc4c(c3c(N3CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164872660 721144979 /nfs/dbraw/zinc/14/49/79/721144979.db2.gz IBYMHIVHNSPSIN-MOPGFXCFSA-N 1 0 489.670 4.783 20 0 JJADRO Cc1sc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164876500 721145520 /nfs/dbraw/zinc/14/55/20/721145520.db2.gz MTPFKEVCVDNIOP-YADHBBJMSA-N 1 0 457.603 4.541 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164874538 721145767 /nfs/dbraw/zinc/14/57/67/721145767.db2.gz KNLWMCRZMSGKCL-RBUKOAKNSA-N 1 0 463.632 4.603 20 0 JJADRO Clc1cccc(-c2nc3c(c(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164870322 721168264 /nfs/dbraw/zinc/16/82/64/721168264.db2.gz CNFHURPKLZXYDP-XZOQPEGZSA-N 1 0 476.024 4.551 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@@H]3C2)cn1 ZINC001164771861 721217461 /nfs/dbraw/zinc/21/74/61/721217461.db2.gz RKDWAOKLOZSXCY-SFTDATJTSA-N 1 0 487.982 4.551 20 0 JJADRO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769481 721222849 /nfs/dbraw/zinc/22/28/49/721222849.db2.gz MNOZWMXFDNPGPP-RRPNLBNLSA-N 1 0 464.617 4.811 20 0 JJADRO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769482 721223235 /nfs/dbraw/zinc/22/32/35/721223235.db2.gz MNOZWMXFDNPGPP-SVBPBHIXSA-N 1 0 464.617 4.811 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164879783 721260013 /nfs/dbraw/zinc/26/00/13/721260013.db2.gz YXPVPXKZOPTIBC-OARDWFSCSA-N 1 0 462.638 4.577 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4c(Cl)ccnc43)C2)C1 ZINC001164778324 721348616 /nfs/dbraw/zinc/34/86/16/721348616.db2.gz MSVFHTMJPKFTPI-HSZRJFAPSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4cc(Cl)ccc43)C2)C1 ZINC001164777421 721349696 /nfs/dbraw/zinc/34/96/96/721349696.db2.gz GXNFNFFZKJKJKC-QHCPKHFHSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(-c4cccc(Cl)n4)n3)C2)C1 ZINC001164776229 721350791 /nfs/dbraw/zinc/35/07/91/721350791.db2.gz AMEVLDODPGXLJC-RUZDIDTESA-N 1 0 468.001 4.521 20 0 JJADRO COc1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c2cc(Cl)ccc12 ZINC001164777721 721350922 /nfs/dbraw/zinc/35/09/22/721350922.db2.gz HPMYQZREAMYQTQ-RUZDIDTESA-N 1 0 471.001 4.621 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cc4ccccc4)c4ccccc43)C2)C1 ZINC001164780290 721365587 /nfs/dbraw/zinc/36/55/87/721365587.db2.gz FPBSRTWIMNSRPE-SSEXGKCCSA-N 1 0 497.643 4.944 20 0 JJADRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164786185 721369738 /nfs/dbraw/zinc/36/97/38/721369738.db2.gz WRXAVIIOIONADU-SANMLTNESA-N 1 0 455.647 4.621 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)ccc4c(Cl)ncnc43)C2)C1 ZINC001164779830 721376087 /nfs/dbraw/zinc/37/60/87/721376087.db2.gz CNFGKMLEYHRCRB-QHCPKHFHSA-N 1 0 476.408 4.660 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C3)O2)CC1 ZINC001164890498 721396554 /nfs/dbraw/zinc/39/65/54/721396554.db2.gz NQTPZXGHEBGFCX-NOZRDPDXSA-N 1 0 491.026 4.712 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164890536 721419765 /nfs/dbraw/zinc/41/97/65/721419765.db2.gz SZCZRXQPTNONJE-PZGXJGMVSA-N 1 0 489.639 4.510 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5cc(OCc6ccccc6)ccc5n4)C3)O2)CC1 ZINC001164887118 721419810 /nfs/dbraw/zinc/41/98/10/721419810.db2.gz LBJSKUGIMRQRFX-OFSOJUDTSA-N 1 0 486.660 4.579 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5cc(OCc6ccccc6)ccc5n4)C3)O2)CC1 ZINC001164887121 721419935 /nfs/dbraw/zinc/41/99/35/721419935.db2.gz LBJSKUGIMRQRFX-POURPWNDSA-N 1 0 486.660 4.579 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C3)O2)CC1 ZINC001164897365 721440534 /nfs/dbraw/zinc/44/05/34/721440534.db2.gz TWSBSZJGEXAZEA-FIPFOOKPSA-N 1 0 489.689 4.638 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164890731 721441325 /nfs/dbraw/zinc/44/13/25/721441325.db2.gz DPYQSYAUDKNMDC-POURPWNDSA-N 1 0 483.660 4.576 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164892314 721444006 /nfs/dbraw/zinc/44/40/06/721444006.db2.gz ICXLXXBFDVFPSR-FIBWVYCGSA-N 1 0 489.708 4.957 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@@H]3COCc3csc(C)n3)C2)nc1 ZINC001164787517 721445400 /nfs/dbraw/zinc/44/54/00/721445400.db2.gz XHJJPQDSKHWYCZ-QIGHUWCUSA-N 1 0 470.683 4.986 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C3)O2)CC1 ZINC001164889835 721453207 /nfs/dbraw/zinc/45/32/07/721453207.db2.gz PNVHNNDNDDFDCD-XXBNENTESA-N 1 0 497.055 4.774 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164784713 721459437 /nfs/dbraw/zinc/45/94/37/721459437.db2.gz JSACXCXWPFYLTN-QGZVFWFLSA-N 1 0 478.411 4.667 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(SC)c(Cl)n1)CC2 ZINC001164784474 721461925 /nfs/dbraw/zinc/46/19/25/721461925.db2.gz IIGOZOAPKMMPDA-SFHVURJKSA-N 1 0 490.060 4.736 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164789396 721462388 /nfs/dbraw/zinc/46/23/88/721462388.db2.gz XQFLFRKRXOBCBY-IBGZPJMESA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)CC2 ZINC001164791283 721470534 /nfs/dbraw/zinc/47/05/34/721470534.db2.gz WJWJKSRBYHJMAA-IBGZPJMESA-N 1 0 495.014 4.955 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)CC2 ZINC001164786510 721474531 /nfs/dbraw/zinc/47/45/31/721474531.db2.gz BNRMIKKIBXZHDU-HXUWFJFHSA-N 1 0 492.035 4.770 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CC2 ZINC001164792195 721492149 /nfs/dbraw/zinc/49/21/49/721492149.db2.gz IAGCMINZWALCFA-UHFFFAOYSA-N 1 0 477.003 4.551 20 0 JJADRO COc1cc2nc(Cl)nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC ZINC001164791347 721493330 /nfs/dbraw/zinc/49/33/30/721493330.db2.gz BAEOBGHPSQJSKM-UHFFFAOYSA-N 1 0 468.001 4.576 20 0 JJADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792466 721494025 /nfs/dbraw/zinc/49/40/25/721494025.db2.gz PEJKFKDVQGTWQT-UHFFFAOYSA-N 1 0 477.634 4.658 20 0 JJADRO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1C ZINC001164796292 721499984 /nfs/dbraw/zinc/49/99/84/721499984.db2.gz PJOLAPOJVPXXGN-UHFFFAOYSA-N 1 0 479.650 4.761 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164795466 721501287 /nfs/dbraw/zinc/50/12/87/721501287.db2.gz IAVWTVCATGUCAL-UHFFFAOYSA-N 1 0 471.605 4.581 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164796693 721501607 /nfs/dbraw/zinc/50/16/07/721501607.db2.gz VKKKRCJWGXQHPE-UHFFFAOYSA-N 1 0 456.590 4.715 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164797022 721503006 /nfs/dbraw/zinc/50/30/06/721503006.db2.gz XHBIOGUQNDMVEK-UHFFFAOYSA-N 1 0 457.018 4.966 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164796577 721503378 /nfs/dbraw/zinc/50/33/78/721503378.db2.gz SIURKFLZCMGIDL-UHFFFAOYSA-N 1 0 464.013 4.985 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)nc1 ZINC001164802030 721604176 /nfs/dbraw/zinc/60/41/76/721604176.db2.gz RSNCQIKXUNOGKO-UKILVPOCSA-N 1 0 450.627 4.726 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)nc1 ZINC001165009265 721692308 /nfs/dbraw/zinc/69/23/08/721692308.db2.gz OIYYWOYQCCMYCC-CBFLWWMCSA-N 1 0 477.653 4.816 20 0 JJADRO FC1(F)CCN(c2cc(Cl)nnc2-c2ccccc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904898 721704916 /nfs/dbraw/zinc/70/49/16/721704916.db2.gz FJONYUTUXSFBAU-HSZRJFAPSA-N 1 0 455.940 4.930 20 0 JJADRO Fc1ccc(Oc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164908733 721712311 /nfs/dbraw/zinc/71/23/11/721712311.db2.gz YUVNSYJWGVSDOM-QFIPXVFZSA-N 1 0 490.917 4.589 20 0 JJADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904199 721712918 /nfs/dbraw/zinc/71/29/18/721712918.db2.gz AMBSQFMWXOAQTR-OAQYLSRUSA-N 1 0 479.909 4.961 20 0 JJADRO O=C(c1ccccc1)n1ccc2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164907378 721720339 /nfs/dbraw/zinc/72/03/39/721720339.db2.gz RHRNCBORYKYVOT-MHZLTWQESA-N 1 0 487.554 4.858 20 0 JJADRO FC1(F)CCN(c2ncccc2OCc2ccccc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906975 721723251 /nfs/dbraw/zinc/72/32/51/721723251.db2.gz PDGFGXWCTZHUGC-VWLOTQADSA-N 1 0 450.533 4.793 20 0 JJADRO FC1(F)CCN(c2cc(-c3nc(-c4cccs4)no3)ccn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911161 721729728 /nfs/dbraw/zinc/72/97/28/721729728.db2.gz IIUDHAKAPDOFTB-DEOSSOPVSA-N 1 0 494.571 4.993 20 0 JJADRO CCN(c1ccccc1)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164910585 721731345 /nfs/dbraw/zinc/73/13/45/721731345.db2.gz GNLDJRCUENHGCQ-RUZDIDTESA-N 1 0 464.564 4.767 20 0 JJADRO FC1(F)CCN(c2nc(-c3ccccn3)nc3sccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912608 721732721 /nfs/dbraw/zinc/73/27/21/721732721.db2.gz OTTWLSFPHYYWAB-DEOSSOPVSA-N 1 0 478.572 4.886 20 0 JJADRO FC1(F)CCN(c2nccc(SCc3ccccc3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909831 721733482 /nfs/dbraw/zinc/73/34/82/721733482.db2.gz DVJSBXKQLCFEDG-XMMPIXPASA-N 1 0 467.589 4.902 20 0 JJADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC001165009928 721745268 /nfs/dbraw/zinc/74/52/68/721745268.db2.gz JVVBFJIPVYXFQP-UHFFFAOYSA-N 1 0 470.042 4.535 20 0 JJADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)CC1 ZINC001165012241 721748227 /nfs/dbraw/zinc/74/82/27/721748227.db2.gz DGTHJIUUMMLDMW-UHFFFAOYSA-N 1 0 461.654 4.714 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C[C@H]21 ZINC001165019564 721806239 /nfs/dbraw/zinc/80/62/39/721806239.db2.gz DCIGXMZHEWCPBX-NWANDNLSSA-N 1 0 478.815 4.512 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@@H]21 ZINC001165019787 721809965 /nfs/dbraw/zinc/80/99/65/721809965.db2.gz BUWQWCUYXYCXDO-GTCCEBARSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C[C@H]21 ZINC001165022767 721817030 /nfs/dbraw/zinc/81/70/30/721817030.db2.gz HDBZWQYGIMMYJQ-ZLGUVYLKSA-N 1 0 468.964 4.588 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C[C@@H]21 ZINC001165030148 721821259 /nfs/dbraw/zinc/82/12/59/721821259.db2.gz YBKUSONOENEDNK-DMTNHVFBSA-N 1 0 465.601 4.857 20 0 JJADRO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165028914 721823122 /nfs/dbraw/zinc/82/31/22/721823122.db2.gz VVIOMEBAAMYILP-TYPHKJRUSA-N 1 0 479.650 4.617 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C[C@H]21 ZINC001165019166 721824937 /nfs/dbraw/zinc/82/49/37/721824937.db2.gz BGAIDFXNIMQNKJ-IHLLOCCUSA-N 1 0 468.045 4.539 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C[C@H]21 ZINC001165019172 721824992 /nfs/dbraw/zinc/82/49/92/721824992.db2.gz BGAIDFXNIMQNKJ-KUWBRRTOSA-N 1 0 468.045 4.539 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@H]21 ZINC001165027827 721832624 /nfs/dbraw/zinc/83/26/24/721832624.db2.gz UCZFXGINUQKXLY-USXIJHARSA-N 1 0 479.000 4.503 20 0 JJADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164933971 721890288 /nfs/dbraw/zinc/89/02/88/721890288.db2.gz NSJHPNFHPCAAKB-RTBURBONSA-N 1 0 489.920 4.575 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)CC3)C2)cc1 ZINC001164938977 721926844 /nfs/dbraw/zinc/92/68/44/721926844.db2.gz FOFFOWYCDCRXHK-UHFFFAOYSA-N 1 0 460.956 4.941 20 0 JJADRO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c(Cl)n1 ZINC001164940020 721929507 /nfs/dbraw/zinc/92/95/07/721929507.db2.gz PRPXXJLBJXPDJX-UHFFFAOYSA-N 1 0 493.982 4.636 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5ccn(C(=O)c6ccccc6)c5n4)CC3)C2)cc1 ZINC001164940717 721929664 /nfs/dbraw/zinc/92/96/64/721929664.db2.gz YNQITDDTSMLKLR-UHFFFAOYSA-N 1 0 480.612 4.905 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)CC3)C2)cc1 ZINC001164941123 721933840 /nfs/dbraw/zinc/93/38/40/721933840.db2.gz GFJXGDYGFDGRAB-UHFFFAOYSA-N 1 0 494.011 4.550 20 0 JJADRO Fc1ccccc1-c1nc2ccn(Cc3ccc(N4CCCC[C@@H]4CC[NH+]4CCCC4)nn3)cc-2n1 ZINC001165045964 721966332 /nfs/dbraw/zinc/96/63/32/721966332.db2.gz FHYKQALRFHHRND-JOCHJYFZSA-N 1 0 485.611 4.872 20 0 JJADRO Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001164953993 722005856 /nfs/dbraw/zinc/00/58/56/722005856.db2.gz UKGGLUZOQDDCLC-NQIIRXRSSA-N 1 0 481.978 4.833 20 0 JJADRO Clc1nc2c(c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n1)CN(Cc1ccccc1)CC2 ZINC001164954315 722014087 /nfs/dbraw/zinc/01/40/87/722014087.db2.gz KQFSBNGYMOXTRH-UHFFFAOYSA-N 1 0 489.067 4.576 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955504 722021385 /nfs/dbraw/zinc/02/13/85/722021385.db2.gz JQPZTVOPGDTMCR-UHFFFAOYSA-N 1 0 470.955 4.624 20 0 JJADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164955690 722021892 /nfs/dbraw/zinc/02/18/92/722021892.db2.gz NJASLGPWJZVTLN-UHFFFAOYSA-N 1 0 466.633 4.984 20 0 JJADRO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164957429 722024550 /nfs/dbraw/zinc/02/45/50/722024550.db2.gz BSRXIOMCFNDJER-UHFFFAOYSA-N 1 0 465.985 4.818 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)nc1 ZINC001164959016 722027298 /nfs/dbraw/zinc/02/72/98/722027298.db2.gz HMTSRXKHNWOICB-FULLSBAXSA-N 1 0 464.654 4.924 20 0 JJADRO CSc1ccc(Oc2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncn2)cc1 ZINC001164960722 722058770 /nfs/dbraw/zinc/05/87/70/722058770.db2.gz JHFUWJWPOFLBCU-UHFFFAOYSA-N 1 0 477.634 4.505 20 0 JJADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966721 722061863 /nfs/dbraw/zinc/06/18/63/722061863.db2.gz XLYJUBDKLFZUSR-UHFFFAOYSA-N 1 0 483.975 4.575 20 0 JJADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966629 722061978 /nfs/dbraw/zinc/06/19/78/722061978.db2.gz WDXKCVWZIYTXGZ-UHFFFAOYSA-N 1 0 494.039 4.999 20 0 JJADRO Fc1ccc(F)c2c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc(Cl)nc12 ZINC001164966675 722062529 /nfs/dbraw/zinc/06/25/29/722062529.db2.gz WNDXEDRWPJQGMZ-UHFFFAOYSA-N 1 0 458.940 4.680 20 0 JJADRO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164971373 722108275 /nfs/dbraw/zinc/10/82/75/722108275.db2.gz BMKOARPYFJUVBA-WNJJXGMVSA-N 1 0 477.612 4.933 20 0 JJADRO Clc1cc2nc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1Cl ZINC001164971438 722108385 /nfs/dbraw/zinc/10/83/85/722108385.db2.gz CLFDTTXWWZSIAE-QRWLVFNGSA-N 1 0 478.811 4.712 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164979125 722111528 /nfs/dbraw/zinc/11/15/28/722111528.db2.gz PDNFUZFKYFRJMQ-ISKFKSNPSA-N 1 0 471.630 4.789 20 0 JJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981175 722126374 /nfs/dbraw/zinc/12/63/74/722126374.db2.gz UCCNWHMXTWSPIS-FPOVZHCZSA-N 1 0 458.940 4.555 20 0 JJADRO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975191 722130487 /nfs/dbraw/zinc/13/04/87/722130487.db2.gz FKCAVJHFHPOTAZ-KNQAVFIVSA-N 1 0 458.940 4.555 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164972594 722138980 /nfs/dbraw/zinc/13/89/80/722138980.db2.gz AEOWXQCTLXMBBC-IGKIAQTJSA-N 1 0 465.601 4.728 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164973225 722141695 /nfs/dbraw/zinc/14/16/95/722141695.db2.gz BNVAKLATDQXLAJ-FPOVZHCZSA-N 1 0 477.659 4.851 20 0 JJADRO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164980264 722141701 /nfs/dbraw/zinc/14/17/01/722141701.db2.gz MITYTUGLKATBKA-ATIYNZHBSA-N 1 0 469.564 4.558 20 0 JJADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976033 722143069 /nfs/dbraw/zinc/14/30/69/722143069.db2.gz GRIIOCHNLCRHOA-PXNSSMCTSA-N 1 0 491.995 4.526 20 0 JJADRO c1ccc(-c2ccc(-c3ccc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)nn3)cc2)cc1 ZINC001164978117 722148005 /nfs/dbraw/zinc/14/80/05/722148005.db2.gz JZJLZSSKCGMBHN-YTMVLYRLSA-N 1 0 477.612 4.933 20 0 JJADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164980917 722148407 /nfs/dbraw/zinc/14/84/07/722148407.db2.gz NTQXWRVMVLDZLT-URXFXBBRSA-N 1 0 464.013 4.536 20 0 JJADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164977190 722156637 /nfs/dbraw/zinc/15/66/37/722156637.db2.gz YEVPTYQZNMXSAA-URXFXBBRSA-N 1 0 480.012 4.607 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972116 722158068 /nfs/dbraw/zinc/15/80/68/722158068.db2.gz FRXVGZYVRVOGBR-GCJKJVERSA-N 1 0 474.939 4.662 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164972463 722158155 /nfs/dbraw/zinc/15/81/55/722158155.db2.gz HXNYTNOBIHAFRX-URXFXBBRSA-N 1 0 499.993 4.773 20 0 JJADRO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)CC[C@@H]32)cs1 ZINC001164992707 722183488 /nfs/dbraw/zinc/18/34/88/722183488.db2.gz SZMDBLRNPJSGLX-IZZNHLLZSA-N 1 0 473.646 4.719 20 0 JJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c2ncn4Cc2ccccc2)C3)c1 ZINC001164994259 722196814 /nfs/dbraw/zinc/19/68/14/722196814.db2.gz MFAOZAQEOOXKEL-AREMUKBSSA-N 1 0 476.987 4.912 20 0 JJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c2ncn4[C@@H]2CCCCO2)C3)c1 ZINC001164993937 722199060 /nfs/dbraw/zinc/19/90/60/722199060.db2.gz JMHDHNNXUOJGKE-YADARESESA-N 1 0 470.980 4.563 20 0 JJADRO COc1ccc(Cn2cc3[nH]c(N4CCC[C@]5(CC[N@@H+]5Cc5cccc(F)c5)C4)ccc-3c2=O)cc1 ZINC001164997298 722206937 /nfs/dbraw/zinc/20/69/37/722206937.db2.gz YVFILQFHLJILLQ-LJAQVGFWSA-N 1 0 486.591 4.630 20 0 JJADRO O=C(c1cccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1)N1CCc2ccccc21 ZINC001164995694 722207780 /nfs/dbraw/zinc/20/77/80/722207780.db2.gz PKROTEGTEKFTGB-NDEPHWFRSA-N 1 0 456.565 4.669 20 0 JJADRO O=C(c1cccnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1)N1CCc2ccccc21 ZINC001164995693 722207804 /nfs/dbraw/zinc/20/78/04/722207804.db2.gz PKROTEGTEKFTGB-MUUNZHRXSA-N 1 0 456.565 4.669 20 0 JJADRO COc1ccc(-c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)c(OC)c1OC ZINC001164998769 722211635 /nfs/dbraw/zinc/21/16/35/722211635.db2.gz XOPZUXRVIWSMDX-HHHXNRCGSA-N 1 0 478.568 4.553 20 0 JJADRO CC(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359712490 1064260967 /nfs/dbraw/zinc/26/09/67/1064260967.db2.gz VCKGXHIVJDSZJD-UNMCSNQZSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359712488 1064261027 /nfs/dbraw/zinc/26/10/27/1064261027.db2.gz VCKGXHIVJDSZJD-IRLDBZIGSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359719119 1064266652 /nfs/dbraw/zinc/26/66/52/1064266652.db2.gz CTSNODSJBNIEEJ-ACRUOGEOSA-N 1 0 465.564 4.551 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545859170 1064267515 /nfs/dbraw/zinc/26/75/15/1064267515.db2.gz GKGGVIQYQOOPMX-NHCUHLMSSA-N 1 0 472.722 4.747 20 0 JJADRO CC(C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001359720790 1064268095 /nfs/dbraw/zinc/26/80/95/1064268095.db2.gz DSHOFJLGXMDIAW-SMIHKQSGSA-N 1 0 452.691 4.590 20 0 JJADRO CC(C)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359725038 1064272553 /nfs/dbraw/zinc/27/25/53/1064272553.db2.gz YYRKMXUYBCMKBR-NRFANRHFSA-N 1 0 477.600 4.703 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001359729783 1064280466 /nfs/dbraw/zinc/28/04/66/1064280466.db2.gz HCCDVHXMWGFOFX-QFIPXVFZSA-N 1 0 473.109 4.745 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001545870898 1064286330 /nfs/dbraw/zinc/28/63/30/1064286330.db2.gz ZCXIPPJXZFVUMC-QFIPXVFZSA-N 1 0 480.701 4.701 20 0 JJADRO CC(C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001359732891 1064288342 /nfs/dbraw/zinc/28/83/42/1064288342.db2.gz NBUPDCGJJPISLF-NOZRDPDXSA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2ccccc2Br)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359734021 1064292578 /nfs/dbraw/zinc/29/25/78/1064292578.db2.gz LBXIGQTXOAJAGV-KNQAVFIVSA-N 1 0 478.504 4.770 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1c(C)cc(C)cc1C ZINC001545876244 1064292619 /nfs/dbraw/zinc/29/26/19/1064292619.db2.gz UXPZGPQLLZZOLG-UHFFFAOYSA-N 1 0 482.717 4.727 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359737580 1064298508 /nfs/dbraw/zinc/29/85/08/1064298508.db2.gz AQNBKDZEBJVIRU-CIAFKFPVSA-N 1 0 488.721 4.794 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001359737745 1064299491 /nfs/dbraw/zinc/29/94/91/1064299491.db2.gz FHAPCRXOQIERBO-IRLDBZIGSA-N 1 0 487.092 4.608 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001359737744 1064299518 /nfs/dbraw/zinc/29/95/18/1064299518.db2.gz FHAPCRXOQIERBO-IFMALSPDSA-N 1 0 487.092 4.608 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001545886628 1064303946 /nfs/dbraw/zinc/30/39/46/1064303946.db2.gz GYWDZZGPWAAHHU-RBUKOAKNSA-N 1 0 487.092 4.533 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001359738961 1064304424 /nfs/dbraw/zinc/30/44/24/1064304424.db2.gz HYXADLVKNCKPOK-UTKZUKDTSA-N 1 0 489.437 4.960 20 0 JJADRO COc1ccc(C2(CNC(=O)c3cccc(C[N@H+](C)Cc4ccccc4)c3)CCOCC2)cc1 ZINC001434878478 1064311446 /nfs/dbraw/zinc/31/14/46/1064311446.db2.gz UDNUBIATQSLFGE-UHFFFAOYSA-N 1 0 458.602 4.805 20 0 JJADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880341 1064313164 /nfs/dbraw/zinc/31/31/64/1064313164.db2.gz BBGZRJBPBFTGBJ-OSVUJJKXSA-N 1 0 455.643 4.658 20 0 JJADRO CC(C)C1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001359743872 1064314852 /nfs/dbraw/zinc/31/48/52/1064314852.db2.gz ULLVPASKTWHDOA-UHFFFAOYSA-N 1 0 466.718 4.951 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001359744305 1064315727 /nfs/dbraw/zinc/31/57/27/1064315727.db2.gz DLKIMQXSNBXHPK-MSOLQXFVSA-N 1 0 476.463 4.585 20 0 JJADRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883976 1064316040 /nfs/dbraw/zinc/31/60/40/1064316040.db2.gz QCUPZDUPGWFAEG-XLIONFOSSA-N 1 0 453.384 4.509 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC001434894368 1064322949 /nfs/dbraw/zinc/32/29/49/1064322949.db2.gz AXNQLJDGTMQWJX-UHFFFAOYSA-N 1 0 455.602 4.875 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001359746561 1064324064 /nfs/dbraw/zinc/32/40/64/1064324064.db2.gz IXVLIEKBRYZMSN-NRFANRHFSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001359747408 1064328046 /nfs/dbraw/zinc/32/80/46/1064328046.db2.gz APTNINUBKKTPTL-BKMJKUGQSA-N 1 0 471.715 4.541 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C2CCCCC2)CCO1 ZINC001359748005 1064332013 /nfs/dbraw/zinc/33/20/13/1064332013.db2.gz MPGVBICWSNAXBG-JOCHJYFZSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCC[C@H]2C)CCS1 ZINC001359748411 1064333996 /nfs/dbraw/zinc/33/39/96/1064333996.db2.gz VDOPZTNDNOKIEN-XLIONFOSSA-N 1 0 478.504 4.770 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCC[C@H]2C)CCS1 ZINC001359748412 1064334142 /nfs/dbraw/zinc/33/41/42/1064334142.db2.gz VDOPZTNDNOKIEN-YLJYHZDGSA-N 1 0 478.504 4.770 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001359751840 1064341017 /nfs/dbraw/zinc/34/10/17/1064341017.db2.gz KKGWQESCGBMOAA-XMMPIXPASA-N 1 0 453.675 4.640 20 0 JJADRO O=C(c1cc(COc2ccc(Cl)cc2Cl)on1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001434916369 1064343537 /nfs/dbraw/zinc/34/35/37/1064343537.db2.gz UEMUSYPISJOHIT-UHFFFAOYSA-N 1 0 452.382 4.899 20 0 JJADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1nc2ccccc2cc1Br ZINC001434920569 1064348055 /nfs/dbraw/zinc/34/80/55/1064348055.db2.gz DPYRSEWOOMXVJU-UHFFFAOYSA-N 1 0 456.409 4.841 20 0 JJADRO CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359756370 1064353401 /nfs/dbraw/zinc/35/34/01/1064353401.db2.gz QGNDNWBYXWYYMZ-IRLDBZIGSA-N 1 0 490.490 4.689 20 0 JJADRO C[NH+](C)CCN(C(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1ccccc1 ZINC001434925466 1064353815 /nfs/dbraw/zinc/35/38/15/1064353815.db2.gz VLSNCUNIVLNQFO-JOCHJYFZSA-N 1 0 451.611 4.840 20 0 JJADRO CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001359760763 1064370148 /nfs/dbraw/zinc/37/01/48/1064370148.db2.gz YXKQGTRXUMQQSM-BVAGGSTKSA-N 1 0 471.665 4.626 20 0 JJADRO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359762114 1064374473 /nfs/dbraw/zinc/37/44/73/1064374473.db2.gz QEBMQIGVTLUDQM-GGAORHGYSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359763286 1064378867 /nfs/dbraw/zinc/37/88/67/1064378867.db2.gz IDRWZCOLZQBVGY-VPUSJEBWSA-N 1 0 467.702 4.825 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)NCC1(c2ccc(Br)cc2)CCOCC1)c1ccccc1 ZINC001434969627 1064385138 /nfs/dbraw/zinc/38/51/38/1064385138.db2.gz VCUTYMJHKZPDAU-JOCHJYFZSA-N 1 0 459.428 4.697 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(C1)CCCOC2)[NH+](C)C ZINC001359764868 1064385197 /nfs/dbraw/zinc/38/51/97/1064385197.db2.gz LBDRBYPHYXAVJQ-IPVFLDMMSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2sccc2C1)[NH+](C)C ZINC001359765587 1064388311 /nfs/dbraw/zinc/38/83/11/1064388311.db2.gz YZCKIFCKRHPMOR-GOSISDBHSA-N 1 0 491.503 4.647 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccon1)[NH+](C)C ZINC001359766184 1064390833 /nfs/dbraw/zinc/39/08/33/1064390833.db2.gz JBULFYRQWXHDNQ-PXNSSMCTSA-N 1 0 456.660 4.732 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+](C)C ZINC001359766307 1064390880 /nfs/dbraw/zinc/39/08/80/1064390880.db2.gz LGGGJGCODLCDHR-HSZRJFAPSA-N 1 0 494.684 4.751 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CCc1nccs1)[NH+](C)C ZINC001359766301 1064390897 /nfs/dbraw/zinc/39/08/97/1064390897.db2.gz LBYNUFNZQOMJIQ-HNNXBMFYSA-N 1 0 497.532 4.881 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001359766363 1064391642 /nfs/dbraw/zinc/39/16/42/1064391642.db2.gz MGTMRXVCIZZGDB-RDJZCZTQSA-N 1 0 484.483 4.765 20 0 JJADRO CCCN(C(=O)C1(c2cncc(Br)c2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001434976484 1064391955 /nfs/dbraw/zinc/39/19/55/1064391955.db2.gz LTAXKLHQFYRKOJ-JOCHJYFZSA-N 1 0 456.428 4.779 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cccs2)CC1)[NH+](C)C ZINC001359766460 1064392572 /nfs/dbraw/zinc/39/25/72/1064392572.db2.gz NYLXJUBWJAFQKH-QFIPXVFZSA-N 1 0 487.117 4.959 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](Oc2ccccn2)C1)[NH+](C)C ZINC001359766607 1064393367 /nfs/dbraw/zinc/39/33/67/1064393367.db2.gz QEKCRFOMAGTPLB-VQTJNVASSA-N 1 0 469.033 4.628 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC001359766857 1064394609 /nfs/dbraw/zinc/39/46/09/1064394609.db2.gz VZPLEXOFTZIMGK-PZJWPPBQSA-N 1 0 455.647 4.565 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cscn1)[NH+](C)C ZINC001359768022 1064397258 /nfs/dbraw/zinc/39/72/58/1064397258.db2.gz SBIWBSCLPFADBN-HXUWFJFHSA-N 1 0 465.627 4.669 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1)[NH+](C)C ZINC001359768438 1064397753 /nfs/dbraw/zinc/39/77/53/1064397753.db2.gz AKYDMOVHXYCLKK-OCJSBGDXSA-N 1 0 459.704 4.847 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1)[NH+](C)C ZINC001359768160 1064397815 /nfs/dbraw/zinc/39/78/15/1064397815.db2.gz VKPHMUYYNSJQHY-ICSRJNTNSA-N 1 0 485.702 4.581 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)[NH+](C)C ZINC001359769010 1064399173 /nfs/dbraw/zinc/39/91/73/1064399173.db2.gz JCWCYCUBQAISRG-XMMPIXPASA-N 1 0 499.679 4.842 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359769576 1064400098 /nfs/dbraw/zinc/40/00/98/1064400098.db2.gz RGCKPOXBBKFISZ-CEMLEFRQSA-N 1 0 476.710 4.652 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)[NH+](C)C ZINC001359770224 1064401884 /nfs/dbraw/zinc/40/18/84/1064401884.db2.gz BITACEWKLKOCLZ-OPYAIIAOSA-N 1 0 470.514 4.927 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(Cc1ccco1)C(C)C)[NH+](C)C ZINC001359770453 1064401991 /nfs/dbraw/zinc/40/19/91/1064401991.db2.gz GAQPDYZTBBQTNS-GBXCKJPGSA-N 1 0 467.614 4.775 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC2CC2)nnc1N1CCc2cc(Br)ccc2C1)[NH+](C)C ZINC001359770985 1064402764 /nfs/dbraw/zinc/40/27/64/1064402764.db2.gz OLXSFNFJEZYORI-NRFANRHFSA-N 1 0 460.464 4.532 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccccc2F)nnc1Nc1cnn([C@@H]2CC2(F)F)c1)[NH+](C)C ZINC001359770774 1064402895 /nfs/dbraw/zinc/40/28/95/1064402895.db2.gz LOTQVRGFDGVUSI-UYAOXDASSA-N 1 0 461.536 4.505 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359771356 1064405223 /nfs/dbraw/zinc/40/52/23/1064405223.db2.gz VGBJQYBTXPPAAS-YADHBBJMSA-N 1 0 492.753 4.926 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1Br)[NH+](C)C ZINC001359771745 1064405884 /nfs/dbraw/zinc/40/58/84/1064405884.db2.gz CMCDKPCDIXGRQL-UYAOXDASSA-N 1 0 464.452 4.505 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001359771637 1064406150 /nfs/dbraw/zinc/40/61/50/1064406150.db2.gz ALUJUWKIAJBBII-AYBZRNKSSA-N 1 0 472.436 4.934 20 0 JJADRO CC(C)C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001359771930 1064406754 /nfs/dbraw/zinc/40/67/54/1064406754.db2.gz GOCWYGMQOMPTPE-QFIPXVFZSA-N 1 0 474.491 4.919 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001359771965 1064406772 /nfs/dbraw/zinc/40/67/72/1064406772.db2.gz GZHGUAQACUJTLY-FDKIHUSFSA-N 1 0 451.725 4.503 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001359772249 1064407222 /nfs/dbraw/zinc/40/72/22/1064407222.db2.gz MAHMBKRHDTZYBL-PKOBYXMFSA-N 1 0 471.543 4.751 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1)[NH+](C)C ZINC001359772516 1064409062 /nfs/dbraw/zinc/40/90/62/1064409062.db2.gz RBIACPPLQRNRCO-IRLDBZIGSA-N 1 0 479.591 4.844 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1)[NH+](C)C ZINC001359772515 1064409122 /nfs/dbraw/zinc/40/91/22/1064409122.db2.gz RBIACPPLQRNRCO-IFMALSPDSA-N 1 0 479.591 4.844 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C)[NH+](C)C ZINC001359772813 1064409936 /nfs/dbraw/zinc/40/99/36/1064409936.db2.gz WQECYRZNCJOZDT-VSKRKVRLSA-N 1 0 476.710 4.951 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359775342 1064418048 /nfs/dbraw/zinc/41/80/48/1064418048.db2.gz NUPSQHSIGCFIBT-ZXUFVLKRSA-N 1 0 459.704 4.532 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359777166 1064420396 /nfs/dbraw/zinc/42/03/96/1064420396.db2.gz CGHRTFDDGMJMMQ-LEAFIULHSA-N 1 0 467.702 4.909 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC(F)(F)Br ZINC001359777285 1064420527 /nfs/dbraw/zinc/42/05/27/1064420527.db2.gz FXMCQRSYZMYNSX-MJGOQNOKSA-N 1 0 484.433 4.954 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001359779589 1064425942 /nfs/dbraw/zinc/42/59/42/1064425942.db2.gz QWIDAMXCKQBRRZ-VQTJNVASSA-N 1 0 456.660 4.993 20 0 JJADRO Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)c(Br)n1 ZINC001435011232 1064426939 /nfs/dbraw/zinc/42/69/39/1064426939.db2.gz BZCKBZYPZGDDTO-UHFFFAOYSA-N 1 0 459.388 4.609 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359780250 1064428695 /nfs/dbraw/zinc/42/86/95/1064428695.db2.gz OSIAJUJGBOKVSX-LJQANCHMSA-N 1 0 467.580 4.633 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359781633 1064432367 /nfs/dbraw/zinc/43/23/67/1064432367.db2.gz OZKADNFTLOMMOX-QHCPKHFHSA-N 1 0 477.701 4.868 20 0 JJADRO CC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)cc1Cl ZINC001435016772 1064433518 /nfs/dbraw/zinc/43/35/18/1064433518.db2.gz YLZAIZXMXFIJOS-UHFFFAOYSA-N 1 0 456.974 4.755 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2nccs2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359782322 1064434274 /nfs/dbraw/zinc/43/42/74/1064434274.db2.gz PNYUSVPEJKSQKG-IFMALSPDSA-N 1 0 452.672 4.870 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359783444 1064435249 /nfs/dbraw/zinc/43/52/49/1064435249.db2.gz ZAOARQFJDITUIG-VJTSUQJLSA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CC[NH+]1CCC(C)CC1 ZINC001359783928 1064436135 /nfs/dbraw/zinc/43/61/35/1064436135.db2.gz NWBBMVQMXPLQHU-AZGAKELHSA-N 1 0 453.675 4.813 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359784103 1064437058 /nfs/dbraw/zinc/43/70/58/1064437058.db2.gz RIONPKNHVQDZMK-ZWEKWIFMSA-N 1 0 467.702 4.886 20 0 JJADRO CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001359785020 1064438781 /nfs/dbraw/zinc/43/87/81/1064438781.db2.gz WSRQEXXGSAQVGX-URXFXBBRSA-N 1 0 459.704 4.874 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCCC1CCCC1 ZINC001359786180 1064439697 /nfs/dbraw/zinc/43/96/97/1064439697.db2.gz NPQKWMBZKZTBNZ-WIOPSUGQSA-N 1 0 455.695 4.700 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)c1ccccc1 ZINC001359786428 1064440646 /nfs/dbraw/zinc/44/06/46/1064440646.db2.gz XJSPCIGEYGRDLM-RZPFDVGOSA-N 1 0 463.674 4.533 20 0 JJADRO CC(C)Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001359787668 1064443349 /nfs/dbraw/zinc/44/33/49/1064443349.db2.gz KYFFPSSSJLCIOZ-UHFFFAOYSA-N 1 0 453.675 4.905 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)c1 ZINC001435034182 1064450907 /nfs/dbraw/zinc/45/09/07/1064450907.db2.gz GFYDMIWNYOOGGA-UHFFFAOYSA-N 1 0 454.977 4.666 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)c1 ZINC001435034409 1064451879 /nfs/dbraw/zinc/45/18/79/1064451879.db2.gz IHVIXCVQTDERIN-UHFFFAOYSA-N 1 0 455.002 4.596 20 0 JJADRO CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359793718 1064452066 /nfs/dbraw/zinc/45/20/66/1064452066.db2.gz QZFBTNYXXTWXGW-IHPCNDPISA-N 1 0 459.685 4.869 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359794390 1064452446 /nfs/dbraw/zinc/45/24/46/1064452446.db2.gz WTWZYTFNMLCACG-PMVMPFDFSA-N 1 0 493.618 4.935 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359795374 1064453762 /nfs/dbraw/zinc/45/37/62/1064453762.db2.gz IGEYHLBXBZCYJF-LJQANCHMSA-N 1 0 479.591 4.735 20 0 JJADRO CCCOc1ccc(CCC(=O)N(C)C2CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)cc1 ZINC001359795115 1064453821 /nfs/dbraw/zinc/45/38/21/1064453821.db2.gz HEFAFHJUPPBQIX-UHFFFAOYSA-N 1 0 453.627 4.551 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@@H]2CC)n1CC[NH+]1CCCCCC1 ZINC001545888346 1064457967 /nfs/dbraw/zinc/45/79/67/1064457967.db2.gz IHYYCYZMGZCHBS-NRFANRHFSA-N 1 0 472.703 4.648 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001359797108 1064459045 /nfs/dbraw/zinc/45/90/45/1064459045.db2.gz VAWDDFUZDKWDOI-UHFFFAOYSA-N 1 0 480.701 4.844 20 0 JJADRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001435045207 1064462051 /nfs/dbraw/zinc/46/20/51/1064462051.db2.gz NWZROMBEWFBAFB-ICSRJNTNSA-N 1 0 458.628 4.684 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359799156 1064464831 /nfs/dbraw/zinc/46/48/31/1064464831.db2.gz YJWWBALCBUCIHC-FCHUYYIVSA-N 1 0 490.737 4.727 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359799161 1064464859 /nfs/dbraw/zinc/46/48/59/1064464859.db2.gz YJZQVIBGPIDMOQ-FCHUYYIVSA-N 1 0 490.737 4.871 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359799157 1064464886 /nfs/dbraw/zinc/46/48/86/1064464886.db2.gz YJWWBALCBUCIHC-FGZHOGPDSA-N 1 0 490.737 4.727 20 0 JJADRO CN(C)C(=O)Sc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001359799930 1064466836 /nfs/dbraw/zinc/46/68/36/1064466836.db2.gz YWRVGHDBEAVUQI-NRFANRHFSA-N 1 0 451.514 4.853 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359802885 1064471354 /nfs/dbraw/zinc/47/13/54/1064471354.db2.gz XLKVKTIIQJZMJM-SVPADUAOSA-N 1 0 453.675 4.747 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Cc3csc4cc(C)sc34)CC2)c1C ZINC001435055411 1064473793 /nfs/dbraw/zinc/47/37/93/1064473793.db2.gz CDKYQYKVXJVYEN-UHFFFAOYSA-N 1 0 457.665 4.957 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359807746 1064478045 /nfs/dbraw/zinc/47/80/45/1064478045.db2.gz BYDPMUSFFCEKIV-UPVQGACJSA-N 1 0 498.716 4.690 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1csc(-c2ccco2)n1 ZINC001359808041 1064479062 /nfs/dbraw/zinc/47/90/62/1064479062.db2.gz GYGLZKNGYHKXDP-UHFFFAOYSA-N 1 0 456.660 4.798 20 0 JJADRO Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c(Br)c1 ZINC001435061842 1064479625 /nfs/dbraw/zinc/47/96/25/1064479625.db2.gz ANECOGRVNCIDGB-UHFFFAOYSA-N 1 0 457.334 4.909 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001359808364 1064479722 /nfs/dbraw/zinc/47/97/22/1064479722.db2.gz NGKPCDRDPGFEII-GGAORHGYSA-N 1 0 498.682 4.842 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359808923 1064481595 /nfs/dbraw/zinc/48/15/95/1064481595.db2.gz ASDHEEOFDGQLCE-JOCHJYFZSA-N 1 0 490.737 4.872 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001435062909 1064481721 /nfs/dbraw/zinc/48/17/21/1064481721.db2.gz AUHLWDBNJHWIAC-MRXNPFEDSA-N 1 0 454.364 4.548 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](COCc3ccccc3)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001359809238 1064482698 /nfs/dbraw/zinc/48/26/98/1064482698.db2.gz KXFNHUAGZDSRFE-XMMPIXPASA-N 1 0 453.675 4.784 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C/C=C\c1ccccc1 ZINC001359809410 1064483328 /nfs/dbraw/zinc/48/33/28/1064483328.db2.gz PDDABXYPQKRKJX-FZHDGDSDSA-N 1 0 451.659 4.516 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001359809325 1064483432 /nfs/dbraw/zinc/48/34/32/1064483432.db2.gz NKCBXWMOECVPSO-HSZRJFAPSA-N 1 0 484.689 4.521 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001435064325 1064483566 /nfs/dbraw/zinc/48/35/66/1064483566.db2.gz NZKUMEHPWJYRRW-IBGZPJMESA-N 1 0 452.039 4.658 20 0 JJADRO O=C(c1ccc(Cn2cccn2)cc1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001435064687 1064484275 /nfs/dbraw/zinc/48/42/75/1064484275.db2.gz MKKJFEFHVSDXKE-UHFFFAOYSA-N 1 0 457.405 4.976 20 0 JJADRO CC(C)Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359811896 1064488429 /nfs/dbraw/zinc/48/84/29/1064488429.db2.gz CCEXFVMCHCHFLH-UHFFFAOYSA-N 1 0 464.029 4.803 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359814804 1064493846 /nfs/dbraw/zinc/49/38/46/1064493846.db2.gz BCLGAZHRPAVIHY-QHCPKHFHSA-N 1 0 485.692 4.844 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359815504 1064496436 /nfs/dbraw/zinc/49/64/36/1064496436.db2.gz MZFSVZRGTZZQPW-JOCHJYFZSA-N 1 0 485.673 4.554 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359815627 1064497091 /nfs/dbraw/zinc/49/70/91/1064497091.db2.gz QMVDKULVPONKHC-DHIUTWEWSA-N 1 0 499.719 4.946 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359815879 1064498073 /nfs/dbraw/zinc/49/80/73/1064498073.db2.gz YLNJBOHVBVOETL-AIGMYPEUSA-N 1 0 488.120 4.824 20 0 JJADRO O=C(NCCOc1ccccc1C(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001435078072 1064500345 /nfs/dbraw/zinc/50/03/45/1064500345.db2.gz MVAGHDGPYNFJHJ-FCHUYYIVSA-N 1 0 469.507 4.511 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359817505 1064500699 /nfs/dbraw/zinc/50/06/99/1064500699.db2.gz FYMFHCVXWZMTGW-ISKFKSNPSA-N 1 0 475.722 4.542 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359817508 1064500777 /nfs/dbraw/zinc/50/07/77/1064500777.db2.gz FYMFHCVXWZMTGW-VWNXMTODSA-N 1 0 475.722 4.542 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001359819625 1064503287 /nfs/dbraw/zinc/50/32/87/1064503287.db2.gz TYBLGRZVDVJCMI-OAQYLSRUSA-N 1 0 457.638 4.501 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359830050 1064512093 /nfs/dbraw/zinc/51/20/93/1064512093.db2.gz CIFFBGCSKJGHFA-VXKWHMMOSA-N 1 0 471.694 4.878 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001359830381 1064513164 /nfs/dbraw/zinc/51/31/64/1064513164.db2.gz IDZFXJKGBLFPLW-DLBZAZTESA-N 1 0 470.609 4.676 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001359832185 1064515525 /nfs/dbraw/zinc/51/55/25/1064515525.db2.gz GJSKWGGSAODGPX-VYKTZEHYSA-N 1 0 467.702 4.865 20 0 JJADRO COC(=O)CCCOc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001435104146 1064515606 /nfs/dbraw/zinc/51/56/06/1064515606.db2.gz WKKGPGZUGKTOPY-IZZNHLLZSA-N 1 0 464.606 4.896 20 0 JJADRO Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001435106575 1064516698 /nfs/dbraw/zinc/51/66/98/1064516698.db2.gz KFGLBKBPFUEHFT-UHFFFAOYSA-N 1 0 451.636 4.690 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001359832705 1064516797 /nfs/dbraw/zinc/51/67/97/1064516797.db2.gz NSBZBFGRKBOLTI-NHCUHLMSSA-N 1 0 489.590 4.836 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001359832850 1064517196 /nfs/dbraw/zinc/51/71/96/1064517196.db2.gz POFUBGOJHYHGHJ-XZOQPEGZSA-N 1 0 490.737 4.824 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359833470 1064519112 /nfs/dbraw/zinc/51/91/12/1064519112.db2.gz YAUROBHHCOHPMJ-PKTZIBPZSA-N 1 0 484.689 4.615 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359833657 1064519630 /nfs/dbraw/zinc/51/96/30/1064519630.db2.gz ZHMFOQSLWLGLNX-VHFRWLAGSA-N 1 0 490.737 4.728 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359834527 1064520785 /nfs/dbraw/zinc/52/07/85/1064520785.db2.gz FUGBYKDNUSMMDS-DEOSSOPVSA-N 1 0 453.675 4.709 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359835405 1064522470 /nfs/dbraw/zinc/52/24/70/1064522470.db2.gz WIGYGLPWXDWBHW-FYYLOGMGSA-N 1 0 480.632 4.579 20 0 JJADRO CC(C)Cc1nnc(N2CCCC3(CCOCC3)C2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359838536 1064525241 /nfs/dbraw/zinc/52/52/41/1064525241.db2.gz DFQIVZZBKKUQKU-HSZRJFAPSA-N 1 0 453.675 4.784 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC001359847238 1064533432 /nfs/dbraw/zinc/53/34/32/1064533432.db2.gz JRCUIISWRJGNMW-UHFFFAOYSA-N 1 0 455.400 4.619 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001435132582 1064537282 /nfs/dbraw/zinc/53/72/82/1064537282.db2.gz FALMOIMQQUPSEC-UHFFFAOYSA-N 1 0 457.500 4.592 20 0 JJADRO Cc1c2cc(Br)ccc2oc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001359851121 1064538358 /nfs/dbraw/zinc/53/83/58/1064538358.db2.gz DYGAYVOVBANLPM-UHFFFAOYSA-N 1 0 451.311 4.986 20 0 JJADRO COc1ccc(-c2nc(C)sc2CC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC001359851205 1064538596 /nfs/dbraw/zinc/53/85/96/1064538596.db2.gz HIRAZRCBNJRRHF-UHFFFAOYSA-N 1 0 459.562 4.538 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359851817 1064539112 /nfs/dbraw/zinc/53/91/12/1064539112.db2.gz FZUCVNUHZUPXFX-SFTDATJTSA-N 1 0 492.634 4.942 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1ccccc1Br ZINC001359856456 1064543920 /nfs/dbraw/zinc/54/39/20/1064543920.db2.gz ZXNXALMXGAUEMP-UHFFFAOYSA-N 1 0 460.464 4.742 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1ccnc(Oc2ccccc2F)c1 ZINC001359859008 1064546585 /nfs/dbraw/zinc/54/65/85/1064546585.db2.gz YYDWDYSSJXTBNW-UHFFFAOYSA-N 1 0 466.605 4.629 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001359859833 1064548649 /nfs/dbraw/zinc/54/86/49/1064548649.db2.gz JDHBQBVRBYAZBO-DEOSSOPVSA-N 1 0 466.699 4.738 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359861310 1064550966 /nfs/dbraw/zinc/55/09/66/1064550966.db2.gz QYFFJEMZEOMVBW-GMAHTHKFSA-N 1 0 475.628 4.548 20 0 JJADRO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359861490 1064552062 /nfs/dbraw/zinc/55/20/62/1064552062.db2.gz XLGPXFAURIOUEY-HSZRJFAPSA-N 1 0 473.109 4.573 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359865767 1064555921 /nfs/dbraw/zinc/55/59/21/1064555921.db2.gz ISAKTLWOFGNQHM-BJKOFHAPSA-N 1 0 475.628 4.843 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359868012 1064559656 /nfs/dbraw/zinc/55/96/56/1064559656.db2.gz HAEHHHTWWMNGOY-XMMPIXPASA-N 1 0 457.638 4.848 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359868931 1064561061 /nfs/dbraw/zinc/56/10/61/1064561061.db2.gz PHEQVKQATNMPFY-XUZZJYLKSA-N 1 0 457.638 4.848 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359869261 1064561652 /nfs/dbraw/zinc/56/16/52/1064561652.db2.gz VJAJYXKTKSADBU-FQEVSTJZSA-N 1 0 488.746 4.931 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccco3)C2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359869191 1064561767 /nfs/dbraw/zinc/56/17/67/1064561767.db2.gz UFYXMNDQZAURHE-QPPBQGQZSA-N 1 0 451.615 4.558 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001435168823 1064564886 /nfs/dbraw/zinc/56/48/86/1064564886.db2.gz CHPUOXQYGZBELW-ZFGGDYGUSA-N 1 0 475.555 4.828 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001359877989 1064568760 /nfs/dbraw/zinc/56/87/60/1064568760.db2.gz FSJCRLOOERGZOU-FGZHOGPDSA-N 1 0 487.664 4.665 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001359880214 1064573770 /nfs/dbraw/zinc/57/37/70/1064573770.db2.gz CVICAKVOXMEZHF-NRFANRHFSA-N 1 0 483.060 4.855 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)C1 ZINC001359882947 1064577242 /nfs/dbraw/zinc/57/72/42/1064577242.db2.gz FFYCXKQIXWGHQI-YADHBBJMSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001359884734 1064579211 /nfs/dbraw/zinc/57/92/11/1064579211.db2.gz PZZZRUMJKOQFNR-GCJKJVERSA-N 1 0 457.569 4.915 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001359886440 1064581805 /nfs/dbraw/zinc/58/18/05/1064581805.db2.gz LXWLZAHUZKAFDT-YADHBBJMSA-N 1 0 486.730 4.510 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001359887823 1064584551 /nfs/dbraw/zinc/58/45/51/1064584551.db2.gz YKRMQILBKYNRAA-ODAXIHTASA-N 1 0 488.721 4.653 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001359891147 1064591071 /nfs/dbraw/zinc/59/10/71/1064591071.db2.gz YKLRNVHXPYSJCW-DEOSSOPVSA-N 1 0 480.484 4.971 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001359896194 1064598325 /nfs/dbraw/zinc/59/83/25/1064598325.db2.gz NWOFTOVGUUEVDR-OUTSHDOLSA-N 1 0 490.696 4.552 20 0 JJADRO C[NH+](C)CCCN(C(=O)CC1CCC2(CC1)OCCO2)C(c1ccccc1)c1ccccc1 ZINC001359914011 1064633028 /nfs/dbraw/zinc/63/30/28/1064633028.db2.gz RLVCNGIWCAFAFT-UHFFFAOYSA-N 1 0 450.623 4.880 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001359915066 1064635736 /nfs/dbraw/zinc/63/57/36/1064635736.db2.gz XKNFRENZSYGSTA-KRWDZBQOSA-N 1 0 454.446 4.703 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)[C@H]1c1cccs1 ZINC001435260957 1064637555 /nfs/dbraw/zinc/63/75/55/1064637555.db2.gz LQUNHEKSWQXTSW-WBVHZDCISA-N 1 0 450.486 4.630 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359917724 1064640051 /nfs/dbraw/zinc/64/00/51/1064640051.db2.gz LWXGLNYZVJRLNW-QFIPXVFZSA-N 1 0 493.700 4.839 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[NH+]1CCCCCC1 ZINC001359917910 1064640160 /nfs/dbraw/zinc/64/01/60/1064640160.db2.gz SAJJNBUUUUVMCN-UHFFFAOYSA-N 1 0 479.673 4.594 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359917768 1064640216 /nfs/dbraw/zinc/64/02/16/1064640216.db2.gz NSCFJCXSIWIOHX-UHFFFAOYSA-N 1 0 493.700 4.983 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359918590 1064641659 /nfs/dbraw/zinc/64/16/59/1064641659.db2.gz KZXVYVLNUWHKJT-QPPBQGQZSA-N 1 0 455.647 4.641 20 0 JJADRO CC(C)CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359920774 1064644966 /nfs/dbraw/zinc/64/49/66/1064644966.db2.gz IZBJHZLKKOMRBW-KDURUIRLSA-N 1 0 463.617 4.517 20 0 JJADRO CC(C)CCN(C)c1nnc(Cc2cccnc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001359921107 1064645923 /nfs/dbraw/zinc/64/59/23/1064645923.db2.gz VWJZYPKFSKKWON-UHFFFAOYSA-N 1 0 452.672 4.720 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359921300 1064646939 /nfs/dbraw/zinc/64/69/39/1064646939.db2.gz DHTQDTXVFFLSLI-VSKRKVRLSA-N 1 0 476.710 4.796 20 0 JJADRO CC(C)CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001359921526 1064647866 /nfs/dbraw/zinc/64/78/66/1064647866.db2.gz LDEKUFMJQZRPFI-DNQXCXABSA-N 1 0 452.691 4.561 20 0 JJADRO CC(C)CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@H+](C)C1CC1)C1CC1 ZINC001359923380 1064652127 /nfs/dbraw/zinc/65/21/27/1064652127.db2.gz IEQAAWUKMZMUGU-MRXNPFEDSA-N 1 0 463.468 4.544 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001435273825 1064652414 /nfs/dbraw/zinc/65/24/14/1064652414.db2.gz QEGKHRIJULEARY-IBGZPJMESA-N 1 0 454.412 4.844 20 0 JJADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001435285798 1064663223 /nfs/dbraw/zinc/66/32/23/1064663223.db2.gz YQTPSRMRXYVPPW-LGIRGXTLSA-N 1 0 465.041 4.653 20 0 JJADRO CC(C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001359933283 1064673823 /nfs/dbraw/zinc/67/38/23/1064673823.db2.gz FXCKNTAWDVHPAD-UHFFFAOYSA-N 1 0 459.082 4.639 20 0 JJADRO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2cc(Br)ccc2n1 ZINC001435303216 1064678457 /nfs/dbraw/zinc/67/84/57/1064678457.db2.gz IWQFJYTYWRZTKH-LJQANCHMSA-N 1 0 452.396 4.900 20 0 JJADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC001435308969 1064683330 /nfs/dbraw/zinc/68/33/30/1064683330.db2.gz SDOMTPVBSHZIQY-LJQANCHMSA-N 1 0 451.792 4.777 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N2CCOC(C)(C)C2)CC1 ZINC001359947535 1064696418 /nfs/dbraw/zinc/69/64/18/1064696418.db2.gz ATLAXILARUHIDM-UHFFFAOYSA-N 1 0 475.628 4.520 20 0 JJADRO COc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001435323338 1064696537 /nfs/dbraw/zinc/69/65/37/1064696537.db2.gz IBKYSRVILFXRKP-KSEOMHKRSA-N 1 0 450.604 4.556 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C3CCC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001359947898 1064698582 /nfs/dbraw/zinc/69/85/82/1064698582.db2.gz GFLZRLZBIAJSJO-UHFFFAOYSA-N 1 0 488.721 4.797 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(Br)cc3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001359947972 1064698774 /nfs/dbraw/zinc/69/87/74/1064698774.db2.gz QRTYIODHAYBUTA-QFIPXVFZSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001359948289 1064699296 /nfs/dbraw/zinc/69/92/96/1064699296.db2.gz UAZYAJCKRSSMIS-RBBKRZOGSA-N 1 0 476.710 4.509 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 ZINC001359948508 1064700322 /nfs/dbraw/zinc/70/03/22/1064700322.db2.gz MLSXWRFVUYONKD-QHCPKHFHSA-N 1 0 498.691 4.583 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2cccs2)CC1 ZINC001359948659 1064700608 /nfs/dbraw/zinc/70/06/08/1064700608.db2.gz XVMJFQJYASWQPT-OAQYLSRUSA-N 1 0 472.703 4.577 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCOCC2)CC1 ZINC001359950287 1064704142 /nfs/dbraw/zinc/70/41/42/1064704142.db2.gz GSBZOQGVCYNPLR-UHFFFAOYSA-N 1 0 478.106 4.819 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)nnc2C(C)(C)C)CC1 ZINC001359950589 1064706073 /nfs/dbraw/zinc/70/60/73/1064706073.db2.gz KQVOARMBGRDBIL-QHCPKHFHSA-N 1 0 496.744 4.990 20 0 JJADRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435336662 1064707449 /nfs/dbraw/zinc/70/74/49/1064707449.db2.gz BLRKBNUKUJSSPL-GAJHUEQPSA-N 1 0 456.512 4.840 20 0 JJADRO CSc1cccc([C@@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)c2cc(F)ccc2F)c1 ZINC001435340454 1064709986 /nfs/dbraw/zinc/70/99/86/1064709986.db2.gz QGEFTUZWECHXKQ-HSZRJFAPSA-N 1 0 457.546 4.542 20 0 JJADRO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC001435348191 1064715100 /nfs/dbraw/zinc/71/51/00/1064715100.db2.gz ZADCIMITIMADQN-JOCHJYFZSA-N 1 0 451.636 4.720 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001359952680 1064716267 /nfs/dbraw/zinc/71/62/67/1064716267.db2.gz ZQKJAOYKLPJVQX-ZJSXRUAMSA-N 1 0 469.674 4.573 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001359954322 1064719359 /nfs/dbraw/zinc/71/93/59/1064719359.db2.gz GCPMDXHRGQHTNV-NRFANRHFSA-N 1 0 495.590 4.622 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001359954940 1064722615 /nfs/dbraw/zinc/72/26/15/1064722615.db2.gz OIISOWVXGNUXJC-QHCPKHFHSA-N 1 0 469.674 4.717 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001359955056 1064722652 /nfs/dbraw/zinc/72/26/52/1064722652.db2.gz PRUVHRVUVJFEAQ-SIKLNZKXSA-N 1 0 495.590 4.622 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(F)(F)F)cc1 ZINC001359954993 1064722826 /nfs/dbraw/zinc/72/28/26/1064722826.db2.gz PBPCTSYVNXVSTD-UHFFFAOYSA-N 1 0 453.553 4.710 20 0 JJADRO Cc1c(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cnn1-c1ccc(F)cc1F ZINC001359957174 1064725564 /nfs/dbraw/zinc/72/55/64/1064725564.db2.gz LIYJOWHTLVFJPQ-FQEVSTJZSA-N 1 0 458.940 4.897 20 0 JJADRO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435364841 1064725642 /nfs/dbraw/zinc/72/56/42/1064725642.db2.gz UXCKDZOQPWMABA-ZYVVXELTSA-N 1 0 457.659 4.687 20 0 JJADRO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435364835 1064725763 /nfs/dbraw/zinc/72/57/63/1064725763.db2.gz UXCKDZOQPWMABA-MRCUYLHHSA-N 1 0 457.659 4.687 20 0 JJADRO C[C@@H](OC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)c1nc2cc(Cl)ccc2n1C ZINC001435365150 1064726268 /nfs/dbraw/zinc/72/62/68/1064726268.db2.gz WFSIGXXSZFVOKZ-MRXNPFEDSA-N 1 0 451.958 4.570 20 0 JJADRO CC(C)CCOC1CCN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359958109 1064726760 /nfs/dbraw/zinc/72/67/60/1064726760.db2.gz MOYKDFBXECHIAZ-GIFXNVAJSA-N 1 0 475.722 4.919 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(Cl)c(F)cc2Br)cc1 ZINC001545890520 1064726792 /nfs/dbraw/zinc/72/67/92/1064726792.db2.gz DOQPAXBBGIVXGN-LJQANCHMSA-N 1 0 455.755 4.817 20 0 JJADRO CC(C)CCOCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359958967 1064730364 /nfs/dbraw/zinc/73/03/64/1064730364.db2.gz MPYNNQFIJQFYBB-UHFFFAOYSA-N 1 0 464.658 4.867 20 0 JJADRO C[C@H]1C[C@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001435379293 1064730493 /nfs/dbraw/zinc/73/04/93/1064730493.db2.gz LHODLAYAFLXZDQ-DOTOQJQBSA-N 1 0 459.928 4.641 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001435379296 1064730812 /nfs/dbraw/zinc/73/08/12/1064730812.db2.gz LHODLAYAFLXZDQ-WBVHZDCISA-N 1 0 459.928 4.641 20 0 JJADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435386908 1064734387 /nfs/dbraw/zinc/73/43/87/1064734387.db2.gz OGWNCNAVNWMXFJ-DYESRHJHSA-N 1 0 456.512 4.982 20 0 JJADRO CC(C)CCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359963934 1064736815 /nfs/dbraw/zinc/73/68/15/1064736815.db2.gz GADJQZCWNLVTEM-UHFFFAOYSA-N 1 0 452.018 4.767 20 0 JJADRO CC(C)CCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001359964261 1064737783 /nfs/dbraw/zinc/73/77/83/1064737783.db2.gz QBIJIFOUNUPLMY-UHFFFAOYSA-N 1 0 453.675 4.980 20 0 JJADRO CC(C)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359964799 1064739969 /nfs/dbraw/zinc/73/99/69/1064739969.db2.gz GWALBWXOOVWLCR-UHFFFAOYSA-N 1 0 466.674 4.810 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 ZINC001435411285 1064744268 /nfs/dbraw/zinc/74/42/68/1064744268.db2.gz NEZFASRUFCADML-IEBWSBKVSA-N 1 0 475.511 4.769 20 0 JJADRO Cc1cc(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)nn1-c1ccc(Br)cc1 ZINC001435421797 1064749746 /nfs/dbraw/zinc/74/97/46/1064749746.db2.gz GYBHYFVNLRKHTO-QGZVFWFLSA-N 1 0 455.400 4.584 20 0 JJADRO CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001359978242 1064754246 /nfs/dbraw/zinc/75/42/46/1064754246.db2.gz SNLTZCSBNNSGGF-UHFFFAOYSA-N 1 0 490.737 4.997 20 0 JJADRO CC(C)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1CCC(F)(F)CC1 ZINC001359980858 1064756114 /nfs/dbraw/zinc/75/61/14/1064756114.db2.gz KYJSVJCZJQHEHJ-UHFFFAOYSA-N 1 0 474.644 4.561 20 0 JJADRO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCCC1 ZINC001359982360 1064757168 /nfs/dbraw/zinc/75/71/68/1064757168.db2.gz APWQGFVCLLSLHX-GOTSBHOMSA-N 1 0 472.722 4.677 20 0 JJADRO CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001359982614 1064758119 /nfs/dbraw/zinc/75/81/19/1064758119.db2.gz HGAQQHAOPAYAJK-UBFVSLLYSA-N 1 0 467.702 4.854 20 0 JJADRO COc1ccc([C@H](NC(=O)c2ccc3c[nH+]cn3c2C)c2ccccc2)cc1Br ZINC001359984444 1064761278 /nfs/dbraw/zinc/76/12/78/1064761278.db2.gz GKSWXBXUYHWRHP-JOCHJYFZSA-N 1 0 450.336 4.933 20 0 JJADRO CC(C)CN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)[NH+](C)C)C1CCCC1 ZINC001359984668 1064762554 /nfs/dbraw/zinc/76/25/54/1064762554.db2.gz CBBCFRQKZOPYLW-FQEVSTJZSA-N 1 0 463.468 4.781 20 0 JJADRO CC(C)CN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)[NH+](C)C)C1CCCC1 ZINC001359984672 1064762696 /nfs/dbraw/zinc/76/26/96/1064762696.db2.gz CBBCFRQKZOPYLW-HXUWFJFHSA-N 1 0 463.468 4.781 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC001359985132 1064763373 /nfs/dbraw/zinc/76/33/73/1064763373.db2.gz HDZZZCYLNRZHLG-HXUWFJFHSA-N 1 0 475.081 4.899 20 0 JJADRO CC(C)CN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[NH+]1CCCCCC1)C1CCCC1 ZINC001359985237 1064763798 /nfs/dbraw/zinc/76/37/98/1064763798.db2.gz JNYOEGPCYUAXOJ-AREMUKBSSA-N 1 0 461.695 4.600 20 0 JJADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)C1 ZINC001435450973 1064764607 /nfs/dbraw/zinc/76/46/07/1064764607.db2.gz GLIDMARFSNREIB-NRFANRHFSA-N 1 0 451.542 4.721 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)COc1ccccc1OCc1ccccc1 ZINC001435458957 1064769042 /nfs/dbraw/zinc/76/90/42/1064769042.db2.gz HPOOIUQCYFOMSO-DHIUTWEWSA-N 1 0 458.602 4.917 20 0 JJADRO COc1ccc(Cl)c(-c2cc(C(=O)N[C@H]3[C@H](C)C[N@@H+](Cc4ccccc4)C[C@@H]3C)on2)c1 ZINC001435462148 1064771865 /nfs/dbraw/zinc/77/18/65/1064771865.db2.gz UGAVMPVVSWGXTJ-CZKAHXPPSA-N 1 0 453.970 4.890 20 0 JJADRO CC(C)CN(c1nnc(Cc2cn3ccccc3n2)n1CC[N@@H+]1CCCC(C)(C)C1)C(C)C ZINC001359992060 1064774330 /nfs/dbraw/zinc/77/43/30/1064774330.db2.gz LNZUNVBETHDAKP-UHFFFAOYSA-N 1 0 451.663 4.509 20 0 JJADRO CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC001359993033 1064775925 /nfs/dbraw/zinc/77/59/25/1064775925.db2.gz KIWXRWSGMAUYMR-FQEVSTJZSA-N 1 0 474.719 4.651 20 0 JJADRO CC(C)CN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC001359993302 1064776794 /nfs/dbraw/zinc/77/67/94/1064776794.db2.gz QHUSFQPNLQJFKO-SFTDATJTSA-N 1 0 475.653 4.755 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC001435471308 1064776886 /nfs/dbraw/zinc/77/68/86/1064776886.db2.gz JSWANBCUKQLEMD-FQEVSTJZSA-N 1 0 451.394 4.880 20 0 JJADRO CC(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001359995126 1064779541 /nfs/dbraw/zinc/77/95/41/1064779541.db2.gz WPHISYFBAXCKNL-UHFFFAOYSA-N 1 0 475.410 4.543 20 0 JJADRO CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001359997488 1064782676 /nfs/dbraw/zinc/78/26/76/1064782676.db2.gz DRAMQASZYDCPKN-INIZCTEOSA-N 1 0 452.430 4.597 20 0 JJADRO CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001360001306 1064786849 /nfs/dbraw/zinc/78/68/49/1064786849.db2.gz IWQSCXHNCDYYJB-XMMPIXPASA-N 1 0 496.700 4.761 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360007188 1064794005 /nfs/dbraw/zinc/79/40/05/1064794005.db2.gz AACNHUUCKSQKCR-REWPJTCUSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N(C)Cc2cnn(Cc3ccccc3)c2)C1 ZINC001360007688 1064795167 /nfs/dbraw/zinc/79/51/67/1064795167.db2.gz GDNBSOMOHXALGY-DEOSSOPVSA-N 1 0 463.674 4.651 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)C1 ZINC001360008216 1064796550 /nfs/dbraw/zinc/79/65/50/1064796550.db2.gz NCVYEAJIQVGUMM-ZWKOTPCHSA-N 1 0 471.543 4.924 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCC(OCCc3ccccc3)CC2)C1 ZINC001360008264 1064796633 /nfs/dbraw/zinc/79/66/33/1064796633.db2.gz NTHLQRMMEKXHPA-VWLOTQADSA-N 1 0 467.702 4.998 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)C1 ZINC001360008295 1064797288 /nfs/dbraw/zinc/79/72/88/1064797288.db2.gz OYFOYBJPTMOEKD-BDTNDASRSA-N 1 0 487.664 4.929 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)C1 ZINC001360008298 1064797528 /nfs/dbraw/zinc/79/75/28/1064797528.db2.gz OYFOYBJPTMOEKD-VSKRKVRLSA-N 1 0 487.664 4.929 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCCO[C@H](C)C2)C1 ZINC001360008554 1064797933 /nfs/dbraw/zinc/79/79/33/1064797933.db2.gz SXPDOBYWJRCFCP-WOJBJXKFSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CC(F)(F)F)C1 ZINC001360009990 1064799819 /nfs/dbraw/zinc/79/98/19/1064799819.db2.gz IPUXVMLCPGDZBW-GOSISDBHSA-N 1 0 460.548 4.860 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)C1 ZINC001360009947 1064799876 /nfs/dbraw/zinc/79/98/76/1064799876.db2.gz HSLLHUYRMAZYRK-SFTDATJTSA-N 1 0 452.672 4.891 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCOC3)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001360010012 1064800603 /nfs/dbraw/zinc/80/06/03/1064800603.db2.gz ITUAWYRGCBJIOR-MJGOQNOKSA-N 1 0 496.519 4.610 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001360010105 1064800662 /nfs/dbraw/zinc/80/06/62/1064800662.db2.gz KNPJVEJJQMXRCJ-YADHBBJMSA-N 1 0 490.092 4.709 20 0 JJADRO 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CC(C)C[N@@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC2CCCCC2)C1 ZINC001360012775 1064811115 /nfs/dbraw/zinc/81/11/15/1064811115.db2.gz VUAAZSZWDUVYMO-JOCHJYFZSA-N 1 0 486.730 4.654 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C2CC(C(C)(C)C)C2)CC1 ZINC001360014536 1064812899 /nfs/dbraw/zinc/81/28/99/1064812899.db2.gz HCGJVJHJNUKIHX-UHFFFAOYSA-N 1 0 477.495 4.821 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360014983 1064813876 /nfs/dbraw/zinc/81/38/76/1064813876.db2.gz LNZBFQWSGZZGON-JIPXPUAJSA-N 1 0 487.664 4.667 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360017311 1064817068 /nfs/dbraw/zinc/81/70/68/1064817068.db2.gz CWNCKIILYLCWQL-VQTJNVASSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2CC(F)(F)C2)CC1 ZINC001360017157 1064817125 /nfs/dbraw/zinc/81/71/25/1064817125.db2.gz AUKYUQVBCNRSNR-UHFFFAOYSA-N 1 0 486.380 4.670 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001360017602 1064817846 /nfs/dbraw/zinc/81/78/46/1064817846.db2.gz HDXGMILSCXZSHD-UHFFFAOYSA-N 1 0 469.033 4.607 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC[C@H]2CCCO2)CC1 ZINC001360017625 1064818591 /nfs/dbraw/zinc/81/85/91/1064818591.db2.gz HLJTYKZGKRUYRI-RUZDIDTESA-N 1 0 483.701 4.606 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360018084 1064819422 /nfs/dbraw/zinc/81/94/22/1064819422.db2.gz MIWHFNQSMBAXRY-ZWKOTPCHSA-N 1 0 496.519 4.752 20 0 JJADRO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+](C(C)C)C(C)C)[C@@H](C)C1=O ZINC001360018233 1064819558 /nfs/dbraw/zinc/81/95/58/1064819558.db2.gz NVRONQJGFYGIJI-IBGZPJMESA-N 1 0 493.071 4.550 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC=CCC2)CC1 ZINC001360018809 1064821186 /nfs/dbraw/zinc/82/11/86/1064821186.db2.gz UQVNBXWIRVFCJH-IBGZPJMESA-N 1 0 458.448 4.842 20 0 JJADRO 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ZINC001360032502 1064835371 /nfs/dbraw/zinc/83/53/71/1064835371.db2.gz OSJKHKDMWDWAIB-UHFFFAOYSA-N 1 0 457.546 4.791 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001435565091 1064836001 /nfs/dbraw/zinc/83/60/01/1064836001.db2.gz HWQQOESYYIGCKO-NHCUHLMSSA-N 1 0 455.643 4.535 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)C1 ZINC001360033944 1064836916 /nfs/dbraw/zinc/83/69/16/1064836916.db2.gz ANJJRHFJIYALFZ-IMSXRSKXSA-N 1 0 487.664 4.786 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)COCc2ccccc2)CC1 ZINC001360033703 1064837101 /nfs/dbraw/zinc/83/71/01/1064837101.db2.gz IMKUBYSGLYXYOX-SKBVVQJISA-N 1 0 497.728 4.828 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](C)CC2)C1 ZINC001360034133 1064838031 /nfs/dbraw/zinc/83/80/31/1064838031.db2.gz BNVHVHSUVISDAR-HFMPRLQTSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@H](C)CC2)C1 ZINC001360034236 1064838171 /nfs/dbraw/zinc/83/81/71/1064838171.db2.gz CYRJWCOTZLGDSV-AZUAARDMSA-N 1 0 464.029 4.721 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccsc2)C1 ZINC001360034160 1064838218 /nfs/dbraw/zinc/83/82/18/1064838218.db2.gz BUQRXCNJBQQAHW-CTNGQTDRSA-N 1 0 487.645 4.612 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC2CCC2)C1 ZINC001360035183 1064839898 /nfs/dbraw/zinc/83/98/98/1064839898.db2.gz LALRMRBYYKEHDB-CVDCTZTESA-N 1 0 476.065 4.665 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC2CCC2)C1 ZINC001360035185 1064840261 /nfs/dbraw/zinc/84/02/61/1064840261.db2.gz LALRMRBYYKEHDB-WMZHIEFXSA-N 1 0 476.065 4.665 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@H]2C(C)C)C1 ZINC001360035515 1064841310 /nfs/dbraw/zinc/84/13/10/1064841310.db2.gz NRRLDAFMBOXBAC-ROUUACIJSA-N 1 0 496.519 4.751 20 0 JJADRO 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C[C@@H]1C[C@@H](CCNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001435586403 1064851386 /nfs/dbraw/zinc/85/13/86/1064851386.db2.gz MVIVNHBRSZXUJJ-SJLPKXTDSA-N 1 0 458.393 4.605 20 0 JJADRO COc1ccc(CCC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001435587525 1064852033 /nfs/dbraw/zinc/85/20/33/1064852033.db2.gz RKRYDECDTPSILI-ICSRJNTNSA-N 1 0 459.428 4.807 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(N3CCC[C@H](c4nc(C(C)C)cs4)C3)nnc2C(C)(C)C)C1 ZINC001360039055 1064852377 /nfs/dbraw/zinc/85/23/77/1064852377.db2.gz LZQJCNGCBBEAHJ-SFTDATJTSA-N 1 0 488.746 4.896 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360039062 1064852610 /nfs/dbraw/zinc/85/26/10/1064852610.db2.gz MEEPVEAGBMXJSR-QHCPKHFHSA-N 1 0 493.618 4.589 20 0 JJADRO C[C@@H]1C[C@@H](CCNC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001435588018 1064852801 /nfs/dbraw/zinc/85/28/01/1064852801.db2.gz USPZEDPNWZRLKZ-NVXWUHKLSA-N 1 0 454.464 4.920 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2cc3ccccc3o2)C1 ZINC001360039859 1064854473 /nfs/dbraw/zinc/85/44/73/1064854473.db2.gz NMUAJXAMTUJGAP-JOCHJYFZSA-N 1 0 453.631 4.606 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)c2cccs2)C1 ZINC001360040903 1064856772 /nfs/dbraw/zinc/85/67/72/1064856772.db2.gz VFLYESMCHOJLLX-AZUAARDMSA-N 1 0 459.685 4.546 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001360042715 1064858988 /nfs/dbraw/zinc/85/89/88/1064858988.db2.gz ZVGNMMBKUBPUPQ-ZEQRLZLVSA-N 1 0 496.700 4.618 20 0 JJADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC001435604340 1064868078 /nfs/dbraw/zinc/86/80/78/1064868078.db2.gz GTNRHAWLQRFKNA-QAPCUYQASA-N 1 0 456.015 4.543 20 0 JJADRO CN(C)c1cc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001435617461 1064880070 /nfs/dbraw/zinc/88/00/70/1064880070.db2.gz QCYVTISVDVSFSQ-FQEVSTJZSA-N 1 0 457.500 4.667 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001360056081 1064886482 /nfs/dbraw/zinc/88/64/82/1064886482.db2.gz AGTDEPSIZYUPLR-DENIHFKCSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001360056668 1064888775 /nfs/dbraw/zinc/88/87/75/1064888775.db2.gz FAKPKSMQEIHPBC-MIZPHKNDSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001360063926 1064904676 /nfs/dbraw/zinc/90/46/76/1064904676.db2.gz SYTZBXLIIPMZEN-SFTDATJTSA-N 1 0 475.628 4.663 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001360065386 1064907036 /nfs/dbraw/zinc/90/70/36/1064907036.db2.gz CXQKTYGHDIJPFI-URXFXBBRSA-N 1 0 490.092 4.882 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001360065385 1064907087 /nfs/dbraw/zinc/90/70/87/1064907087.db2.gz CXQKTYGHDIJPFI-QPPBQGQZSA-N 1 0 490.092 4.882 20 0 JJADRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1F ZINC001435655946 1064912163 /nfs/dbraw/zinc/91/21/63/1064912163.db2.gz GAYUCVCMUTVNAK-WMTXJRDZSA-N 1 0 451.586 4.841 20 0 JJADRO CC(C)COCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360069693 1064915597 /nfs/dbraw/zinc/91/55/97/1064915597.db2.gz RUGHHIJYYJLUEP-UHFFFAOYSA-N 1 0 479.673 4.504 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cccc(N3CCOC3=O)c2)cc1)C[C@@H]1CCCCO1 ZINC001435671698 1064924323 /nfs/dbraw/zinc/92/43/23/1064924323.db2.gz BILKUVSBIUXJFL-DEOSSOPVSA-N 1 0 451.567 4.675 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ncsc2Br)cc1)C[C@@H]1CCCCO1 ZINC001435672484 1064926026 /nfs/dbraw/zinc/92/60/26/1064926026.db2.gz HBDDFDODDOMZSI-KRWDZBQOSA-N 1 0 452.418 4.937 20 0 JJADRO CC(C)CSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001360080098 1064936509 /nfs/dbraw/zinc/93/65/09/1064936509.db2.gz AFMHOPFGMCGKRS-VQTJNVASSA-N 1 0 461.651 4.621 20 0 JJADRO C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435702228 1064947307 /nfs/dbraw/zinc/94/73/07/1064947307.db2.gz IYPUBNNCAIECOL-VQIMIIECSA-N 1 0 456.999 4.509 20 0 JJADRO C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435705800 1064948366 /nfs/dbraw/zinc/94/83/66/1064948366.db2.gz QVCBXQQJLCUQBK-TUACAJSNSA-N 1 0 451.611 4.669 20 0 JJADRO C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435705802 1064948596 /nfs/dbraw/zinc/94/85/96/1064948596.db2.gz QVCBXQQJLCUQBK-ZTCOLXNVSA-N 1 0 451.611 4.669 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)CC1 ZINC001360087239 1064951313 /nfs/dbraw/zinc/95/13/13/1064951313.db2.gz IXSVRBIOLGOGBA-UHFFFAOYSA-N 1 0 453.652 4.882 20 0 JJADRO CC(C)(C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Br)cc1 ZINC001435713642 1064951839 /nfs/dbraw/zinc/95/18/39/1064951839.db2.gz HQLRKQCSZHDSLH-UHFFFAOYSA-N 1 0 459.428 4.560 20 0 JJADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Br)cc1Cl ZINC001435715771 1064952556 /nfs/dbraw/zinc/95/25/56/1064952556.db2.gz UDVQRFKXSKTCAA-UHFFFAOYSA-N 1 0 451.792 4.550 20 0 JJADRO C[N@H+](CCc1cccc(NC(=O)c2ccc(I)c(Cl)c2)c1)C1CC1 ZINC001435717188 1064952865 /nfs/dbraw/zinc/95/28/65/1064952865.db2.gz FOCURNLUUPWCJM-UHFFFAOYSA-N 1 0 454.739 4.834 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001360092251 1064959944 /nfs/dbraw/zinc/95/99/44/1064959944.db2.gz YMRQUHLXCLUKTN-UHFFFAOYSA-N 1 0 464.658 4.946 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360092319 1064960481 /nfs/dbraw/zinc/96/04/81/1064960481.db2.gz ASLCPJRCNGJFPW-JOCHJYFZSA-N 1 0 479.591 4.839 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CCc2ccccc2OC(F)F)CC1 ZINC001360092350 1064960685 /nfs/dbraw/zinc/96/06/85/1064960685.db2.gz BUKGYLFSBMDOQI-UHFFFAOYSA-N 1 0 463.617 4.976 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001360092331 1064960830 /nfs/dbraw/zinc/96/08/30/1064960830.db2.gz BFJKZEBGXWKYJC-AREMUKBSSA-N 1 0 453.631 4.655 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(CC2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360092433 1064961451 /nfs/dbraw/zinc/96/14/51/1064961451.db2.gz FWTLAVSMHOAJHD-UHFFFAOYSA-N 1 0 483.701 4.735 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2CCOCC2)CC1 ZINC001360092584 1064961845 /nfs/dbraw/zinc/96/18/45/1064961845.db2.gz KSTMAHQPAHTELN-UHFFFAOYSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(C)(C)O)CC1 ZINC001360092627 1064962965 /nfs/dbraw/zinc/96/29/65/1064962965.db2.gz MOSZIPZWLLMBFE-UHFFFAOYSA-N 1 0 496.469 4.564 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccs1 ZINC001360092885 1064964579 /nfs/dbraw/zinc/96/45/79/1064964579.db2.gz WFCOMLHNXPGXMX-JOCHJYFZSA-N 1 0 453.656 4.759 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1 ZINC001360092968 1064965258 /nfs/dbraw/zinc/96/52/58/1064965258.db2.gz ZHCPIEWWLHZXCS-QFIPXVFZSA-N 1 0 461.601 4.890 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001360095216 1064968619 /nfs/dbraw/zinc/96/86/19/1064968619.db2.gz ANNVKWPEQCFHNP-UHFFFAOYSA-N 1 0 478.660 4.937 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(Cl)nc2)CC1 ZINC001360095321 1064969409 /nfs/dbraw/zinc/96/94/09/1064969409.db2.gz FOACCFAONMZUOG-UHFFFAOYSA-N 1 0 487.023 4.650 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001360095637 1064969894 /nfs/dbraw/zinc/96/98/94/1064969894.db2.gz MGXHFZOWOCQSTD-LJAQVGFWSA-N 1 0 481.729 4.951 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001360096022 1064971618 /nfs/dbraw/zinc/97/16/18/1064971618.db2.gz VEZIVSZXXOJXTA-OAQYLSRUSA-N 1 0 481.563 4.633 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)/C(F)=C\C2CCCCC2)cc1OC ZINC001435749157 1064973000 /nfs/dbraw/zinc/97/30/00/1064973000.db2.gz BYRRBQHYQYDCTP-CPNJWEJPSA-N 1 0 453.986 4.792 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCc1nccs1 ZINC001360097248 1064973326 /nfs/dbraw/zinc/97/33/26/1064973326.db2.gz ASMHMUNXMXBNBR-UHFFFAOYSA-N 1 0 451.015 4.603 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001360097502 1064974850 /nfs/dbraw/zinc/97/48/50/1064974850.db2.gz JJDDAODJPSVWTB-NRFANRHFSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001360097692 1064976317 /nfs/dbraw/zinc/97/63/17/1064976317.db2.gz QEGYLINGCPBFDK-NRFANRHFSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001360097964 1064977198 /nfs/dbraw/zinc/97/71/98/1064977198.db2.gz WNYRVWDUHUDHIS-GOTSBHOMSA-N 1 0 453.675 4.836 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360099941 1064979202 /nfs/dbraw/zinc/97/92/02/1064979202.db2.gz DWGDYMIOHAEPHU-FQEVSTJZSA-N 1 0 495.672 4.602 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 ZINC001360100967 1064980673 /nfs/dbraw/zinc/98/06/73/1064980673.db2.gz ZXEQUYPTXADKTB-QGZVFWFLSA-N 1 0 470.481 4.710 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360101668 1064981708 /nfs/dbraw/zinc/98/17/08/1064981708.db2.gz WTKLSROWYFMZDY-QFIPXVFZSA-N 1 0 466.674 4.864 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C ZINC001360103600 1064984098 /nfs/dbraw/zinc/98/40/98/1064984098.db2.gz RFOGFPFSJRPWPD-HXUWFJFHSA-N 1 0 452.018 4.676 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C ZINC001360103769 1064984322 /nfs/dbraw/zinc/98/43/22/1064984322.db2.gz XHTFFXKPFLPSIJ-KRWDZBQOSA-N 1 0 454.109 4.896 20 0 JJADRO Cc1cc(OCC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1Br ZINC001435775802 1064987511 /nfs/dbraw/zinc/98/75/11/1064987511.db2.gz OPDKPOXCYMNBKM-UHFFFAOYSA-N 1 0 457.412 4.651 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360106435 1064987868 /nfs/dbraw/zinc/98/78/68/1064987868.db2.gz COWRKUUBCYUVRN-IYBDPMFKSA-N 1 0 470.406 4.775 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001360106944 1064988693 /nfs/dbraw/zinc/98/86/93/1064988693.db2.gz XBNTVDQVDMBUTQ-OXJNMPFZSA-N 1 0 452.430 4.597 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC2(CCCCC2)C1 ZINC001360106789 1064988936 /nfs/dbraw/zinc/98/89/36/1064988936.db2.gz RCDCITNCMAEZTA-UHFFFAOYSA-N 1 0 450.002 4.617 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001360106945 1064989021 /nfs/dbraw/zinc/98/90/21/1064989021.db2.gz XBNTVDQVDMBUTQ-OXQOHEQNSA-N 1 0 452.430 4.597 20 0 JJADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C1CCC1 ZINC001360109476 1064990809 /nfs/dbraw/zinc/99/08/09/1064990809.db2.gz FYKYVBYFFLJHKF-QFIPXVFZSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC1CC1)C1CCC1 ZINC001360109503 1064990885 /nfs/dbraw/zinc/99/08/85/1064990885.db2.gz GNROSTJCXXIOFH-NRFANRHFSA-N 1 0 474.694 4.502 20 0 JJADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001435787896 1064991400 /nfs/dbraw/zinc/99/14/00/1064991400.db2.gz QURSSTXBGYNNKB-MRXNPFEDSA-N 1 0 458.400 4.504 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360111145 1064992286 /nfs/dbraw/zinc/99/22/86/1064992286.db2.gz ZSBPSTRCBNGBBL-PMACEKPBSA-N 1 0 490.718 4.992 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCOC2(C1)CCCCCC2 ZINC001360112454 1064994160 /nfs/dbraw/zinc/99/41/60/1064994160.db2.gz DQTLHQMIALXBQZ-UHFFFAOYSA-N 1 0 453.675 4.723 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCSC(C)(C)C1 ZINC001360113197 1064994932 /nfs/dbraw/zinc/99/49/32/1064994932.db2.gz RSUQKWOQONBNPD-UHFFFAOYSA-N 1 0 472.486 4.836 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC001360113903 1064996413 /nfs/dbraw/zinc/99/64/13/1064996413.db2.gz SCYXQQDKGQHFHX-UBFVSLLYSA-N 1 0 483.701 4.723 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001360113851 1064996496 /nfs/dbraw/zinc/99/64/96/1064996496.db2.gz QMJUTEJVCQHPIK-UHFFFAOYSA-N 1 0 494.105 4.686 20 0 JJADRO CC(C)[N@H+](C)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccccc1Br ZINC001360114139 1064997258 /nfs/dbraw/zinc/99/72/58/1064997258.db2.gz XIJZMBSZMJANAH-UHFFFAOYSA-N 1 0 472.435 4.788 20 0 JJADRO Cc1ccc(NC(=O)c2c(Cl)cc(F)cc2Br)cc1NC(=O)CC[NH+](C)C ZINC001435801878 1064998762 /nfs/dbraw/zinc/99/87/62/1064998762.db2.gz GFAYIPOBHUILPH-UHFFFAOYSA-N 1 0 456.743 4.693 20 0 JJADRO CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435806851 1065002102 /nfs/dbraw/zinc/00/21/02/1065002102.db2.gz GWWURQXMJXYNLR-FQEVSTJZSA-N 1 0 454.665 4.832 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCCC1 ZINC001360118940 1065005963 /nfs/dbraw/zinc/00/59/63/1065005963.db2.gz SZBPQLGCPBGSMI-UHFFFAOYSA-N 1 0 476.394 4.951 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)cc1 ZINC001360120535 1065008270 /nfs/dbraw/zinc/00/82/70/1065008270.db2.gz LERTWYRGHVEJSR-UHFFFAOYSA-N 1 0 450.501 4.660 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360121443 1065009874 /nfs/dbraw/zinc/00/98/74/1065009874.db2.gz ULWBMUMJXLUTAQ-XMMPIXPASA-N 1 0 474.074 4.968 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)[C@@H](F)C1)C(C)C ZINC001360123546 1065014224 /nfs/dbraw/zinc/01/42/24/1065014224.db2.gz IYDKWLNOCLESTD-CTNGQTDRSA-N 1 0 453.610 4.638 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCSC2)C1)C(C)C ZINC001360123992 1065015651 /nfs/dbraw/zinc/01/56/51/1065015651.db2.gz SEDGNAVOTPUIEG-QFIPXVFZSA-N 1 0 495.535 4.878 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(Br)C1)C(C)C ZINC001360123979 1065015678 /nfs/dbraw/zinc/01/56/78/1065015678.db2.gz RTNSBXLIUPTOHK-UHFFFAOYSA-N 1 0 481.870 4.991 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1)C(C)C ZINC001360124151 1065016272 /nfs/dbraw/zinc/01/62/72/1065016272.db2.gz WIQGENRJWVWISE-UHFFFAOYSA-N 1 0 494.709 4.914 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCCCCC1)C(C)C ZINC001360124155 1065016287 /nfs/dbraw/zinc/01/62/87/1065016287.db2.gz WLNPKPBGOIXRQC-UHFFFAOYSA-N 1 0 475.703 4.628 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C ZINC001360124153 1065016395 /nfs/dbraw/zinc/01/63/95/1065016395.db2.gz WKIIHQBPJKAIPA-DEOSSOPVSA-N 1 0 493.483 4.620 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(CCOC2)C1)C(C)C ZINC001360124313 1065016567 /nfs/dbraw/zinc/01/65/67/1065016567.db2.gz ZYXNGXJJBODWCA-DEOSSOPVSA-N 1 0 464.029 4.863 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2ccnn2)CC1)C(C)C ZINC001360124243 1065016604 /nfs/dbraw/zinc/01/66/04/1065016604.db2.gz YQJSCPBIYZMAAE-UHFFFAOYSA-N 1 0 485.080 4.616 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC001360125380 1065017803 /nfs/dbraw/zinc/01/78/03/1065017803.db2.gz IRKPZWRRKNOJLE-XMMPIXPASA-N 1 0 468.621 4.510 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1)C(C)C ZINC001360125307 1065017833 /nfs/dbraw/zinc/01/78/33/1065017833.db2.gz FUMMWNOVSZVKOC-XMMPIXPASA-N 1 0 463.674 4.887 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1)C(C)C ZINC001360125291 1065017868 /nfs/dbraw/zinc/01/78/68/1065017868.db2.gz FOILFCYHUPOGNZ-UHFFFAOYSA-N 1 0 460.066 4.806 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1)C(C)C ZINC001360125458 1065018337 /nfs/dbraw/zinc/01/83/37/1065018337.db2.gz KXMVWXHOGUYALL-UHFFFAOYSA-N 1 0 491.684 4.648 20 0 JJADRO CC(C)[NH+](CCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2nccs2)C1)C(C)C ZINC001360126502 1065020231 /nfs/dbraw/zinc/02/02/31/1065020231.db2.gz STEFHZHCQNVXJU-NRFANRHFSA-N 1 0 460.692 4.554 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1)C(C)C ZINC001360126731 1065020792 /nfs/dbraw/zinc/02/07/92/1065020792.db2.gz WVZYBLQPCYCKCD-WXFUMESZSA-N 1 0 489.749 4.837 20 0 JJADRO CC(C)[NH+](CCCn1c(CC2CCCC2)nnc1N1CCC[C@H](c2ccnn2C)C1)C(C)C ZINC001360126505 1065020825 /nfs/dbraw/zinc/02/08/25/1065020825.db2.gz STEUYGGKJLWDIQ-QHCPKHFHSA-N 1 0 455.695 4.637 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Br)s2)nnc1N1CCC(F)(F)C1)C(C)C ZINC001360128109 1065021665 /nfs/dbraw/zinc/02/16/65/1065021665.db2.gz ADQRXXVIANOBMW-UHFFFAOYSA-N 1 0 462.408 4.733 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OC(C)(C)C)CC1)C(C)C ZINC001360128439 1065022678 /nfs/dbraw/zinc/02/26/78/1065022678.db2.gz INPCYUJNWFYGOK-UHFFFAOYSA-N 1 0 471.646 4.577 20 0 JJADRO C[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435851097 1065022885 /nfs/dbraw/zinc/02/28/85/1065022885.db2.gz FRVTWKFCYZTPMC-LSDHHAIUSA-N 1 0 452.382 4.943 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N(Cc1c(F)cccc1F)C1CC1)C(C)C ZINC001360128487 1065023045 /nfs/dbraw/zinc/02/30/45/1065023045.db2.gz GBMQOORCRWLXRW-UHFFFAOYSA-N 1 0 454.569 4.906 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCOCC1)C(C)C ZINC001360128614 1065023093 /nfs/dbraw/zinc/02/30/93/1065023093.db2.gz LKAJPYINBOHZSF-UHFFFAOYSA-N 1 0 496.469 4.828 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](OC(C)(C)C)C1)C(C)C ZINC001360128532 1065023111 /nfs/dbraw/zinc/02/31/11/1065023111.db2.gz KOESPUUOWPBMSK-NRFANRHFSA-N 1 0 471.646 4.577 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)C(C)C ZINC001360128729 1065023160 /nfs/dbraw/zinc/02/31/60/1065023160.db2.gz MPLLTTPBSSFSLU-FQEVSTJZSA-N 1 0 488.652 4.649 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccccc2C1)C(C)C ZINC001360128489 1065023304 /nfs/dbraw/zinc/02/33/04/1065023304.db2.gz JYSKYFUJDUSLJJ-UHFFFAOYSA-N 1 0 471.447 4.717 20 0 JJADRO C[C@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435851356 1065023640 /nfs/dbraw/zinc/02/36/40/1065023640.db2.gz IMGIAMSDBCAWFT-RYUDHWBXSA-N 1 0 451.302 4.990 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)C(C)C ZINC001360128857 1065023663 /nfs/dbraw/zinc/02/36/63/1065023663.db2.gz OWIXNHYARHTOAG-FQEVSTJZSA-N 1 0 470.065 4.520 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)C(C)C ZINC001360128858 1065023843 /nfs/dbraw/zinc/02/38/43/1065023843.db2.gz OWIXNHYARHTOAG-HXUWFJFHSA-N 1 0 470.065 4.520 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCOC[C@H](C2CCC2)C1)C(C)C ZINC001360128797 1065023854 /nfs/dbraw/zinc/02/38/54/1065023854.db2.gz NQVJVGSQLNXEPC-JOCHJYFZSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)C(C)C ZINC001360129646 1065025203 /nfs/dbraw/zinc/02/52/03/1065025203.db2.gz YLSCMDRTRLTPMI-UHFFFAOYSA-N 1 0 491.537 4.575 20 0 JJADRO CCCOc1c(Br)cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC001435853882 1065025433 /nfs/dbraw/zinc/02/54/33/1065025433.db2.gz XQCKJAMABSBIQJ-HZPDHXFCSA-N 1 0 453.421 4.629 20 0 JJADRO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC001435854272 1065025459 /nfs/dbraw/zinc/02/54/59/1065025459.db2.gz ZRJFMXVOAHRHCW-KBPBESRZSA-N 1 0 458.238 4.903 20 0 JJADRO CCCOc1c(Br)cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC001435853881 1065025549 /nfs/dbraw/zinc/02/55/49/1065025549.db2.gz XQCKJAMABSBIQJ-HOTGVXAUSA-N 1 0 453.421 4.629 20 0 JJADRO CC(C)([C@@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001435856584 1065027768 /nfs/dbraw/zinc/02/77/68/1065027768.db2.gz UEGKYDWLHPXMMT-QHCPKHFHSA-N 1 0 452.505 4.893 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1)C(C)C ZINC001360132752 1065027668 /nfs/dbraw/zinc/02/76/68/1065027668.db2.gz LVXSFQYBYPKOHP-FQEVSTJZSA-N 1 0 474.719 4.996 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCC(O)(c2ccccc2Cl)CC1)C(C)C ZINC001360133004 1065028170 /nfs/dbraw/zinc/02/81/70/1065028170.db2.gz NHZROCIKXGFZOE-UHFFFAOYSA-N 1 0 497.087 4.524 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc2cnccc2c1)C(C)C ZINC001360133087 1065028232 /nfs/dbraw/zinc/02/82/32/1065028232.db2.gz NTFZPAXWPFKWME-UHFFFAOYSA-N 1 0 457.626 4.567 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)C(C)C ZINC001360133324 1065028674 /nfs/dbraw/zinc/02/86/74/1065028674.db2.gz RIGIXKALFQSPLI-UHFFFAOYSA-N 1 0 487.998 4.535 20 0 JJADRO CC(C)[NH+](CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C(C)C ZINC001360133729 1065029118 /nfs/dbraw/zinc/02/91/18/1065029118.db2.gz ZAJHJSODNRITBE-OAQYLSRUSA-N 1 0 478.726 4.821 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1)C(C)C ZINC001360133532 1065029183 /nfs/dbraw/zinc/02/91/83/1065029183.db2.gz UNDVOTHSVVKACO-FCHUYYIVSA-N 1 0 489.655 4.909 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)C(C)C ZINC001360134128 1065029951 /nfs/dbraw/zinc/02/99/51/1065029951.db2.gz FHLNYJANPCTLFW-UHFFFAOYSA-N 1 0 486.749 4.795 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(CC3CCCC3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001360136679 1065032469 /nfs/dbraw/zinc/03/24/69/1065032469.db2.gz OFHMJZKZPXLIOR-FQEVSTJZSA-N 1 0 457.638 4.583 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001360136967 1065032544 /nfs/dbraw/zinc/03/25/44/1065032544.db2.gz LMCCUMLCRFMNRV-GOSISDBHSA-N 1 0 489.567 4.572 20 0 JJADRO CN(C(=O)CCCOc1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435865655 1065033079 /nfs/dbraw/zinc/03/30/79/1065033079.db2.gz NVQPXGOPUIOYPV-UIOOFZCWSA-N 1 0 451.655 4.794 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001360137293 1065033074 /nfs/dbraw/zinc/03/30/74/1065033074.db2.gz PXBGHGIHVYUGHE-HXUWFJFHSA-N 1 0 490.092 4.618 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3Cc3ccccc3Cl)CC2)CC1 ZINC001360137183 1065033123 /nfs/dbraw/zinc/03/31/23/1065033123.db2.gz OHJZJMHRNYCVKD-UHFFFAOYSA-N 1 0 473.109 4.563 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001360137733 1065033471 /nfs/dbraw/zinc/03/34/71/1065033471.db2.gz WDHDPINSRDGGNM-GOSISDBHSA-N 1 0 485.982 4.613 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001360137747 1065033602 /nfs/dbraw/zinc/03/36/02/1065033602.db2.gz WSRSGBABXVDYMZ-HXUWFJFHSA-N 1 0 458.050 4.626 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001360139426 1065036427 /nfs/dbraw/zinc/03/64/27/1065036427.db2.gz QZLVSPJOVFEOFN-KSZLIROESA-N 1 0 467.008 4.841 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccccc2F)C1 ZINC001360140718 1065039019 /nfs/dbraw/zinc/03/90/19/1065039019.db2.gz JEVYVUJOTJILGO-UNMCSNQZSA-N 1 0 450.606 4.721 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360141555 1065040383 /nfs/dbraw/zinc/04/03/83/1065040383.db2.gz QJKWQBPMKPBRQS-NHCUHLMSSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360142189 1065041703 /nfs/dbraw/zinc/04/17/03/1065041703.db2.gz UXPOFYACCWMFBV-FCHUYYIVSA-N 1 0 460.066 4.506 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1C ZINC001435881871 1065042497 /nfs/dbraw/zinc/04/24/97/1065042497.db2.gz DPMQAEGFUHFDPC-UHFFFAOYSA-N 1 0 452.002 4.683 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360142244 1065042432 /nfs/dbraw/zinc/04/24/32/1065042432.db2.gz VYRDSSWDVCBNLH-SJLPKXTDSA-N 1 0 482.492 4.710 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC2CC(F)(F)C2)CC1 ZINC001360143589 1065044696 /nfs/dbraw/zinc/04/46/96/1065044696.db2.gz IYFIFRVLEZQTAJ-UHFFFAOYSA-N 1 0 474.419 4.735 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCSC2)CC1 ZINC001360144300 1065046109 /nfs/dbraw/zinc/04/61/09/1065046109.db2.gz YUARWAJUCLXVKN-MRXNPFEDSA-N 1 0 482.467 4.520 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 ZINC001360145900 1065047796 /nfs/dbraw/zinc/04/77/96/1065047796.db2.gz AIUIGKRUDCIMMB-TZIWHRDSSA-N 1 0 494.453 4.566 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC001360146288 1065047966 /nfs/dbraw/zinc/04/79/66/1065047966.db2.gz HZTDCIFXKPBJGD-UHFFFAOYSA-N 1 0 478.472 4.790 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(C3CCCC3)n2Cc2cc(Br)cs2)CC1 ZINC001360146771 1065048403 /nfs/dbraw/zinc/04/84/03/1065048403.db2.gz WDGCVDHUERWBTA-UHFFFAOYSA-N 1 0 452.466 4.729 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(Cl)s2)CC1 ZINC001360147261 1065049146 /nfs/dbraw/zinc/04/91/46/1065049146.db2.gz OMIZIZBQCVGRPU-UHFFFAOYSA-N 1 0 464.010 4.680 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)CC1 ZINC001360146930 1065049375 /nfs/dbraw/zinc/04/93/75/1065049375.db2.gz ALKWAMUKZVCEGJ-GOSISDBHSA-N 1 0 482.456 4.511 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(Cl)s2)CC1 ZINC001360149574 1065053086 /nfs/dbraw/zinc/05/30/86/1065053086.db2.gz UWTYPLZFCLBUKN-UHFFFAOYSA-N 1 0 497.894 4.534 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(F)cc2Cl)CC1 ZINC001360149500 1065053223 /nfs/dbraw/zinc/05/32/23/1065053223.db2.gz REFPDKRHGWLNCE-UHFFFAOYSA-N 1 0 495.828 4.601 20 0 JJADRO CCc1c(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)nnn1Cc1ccc(F)cc1 ZINC001435901175 1065053266 /nfs/dbraw/zinc/05/32/66/1065053266.db2.gz JMKRZMXBIASHPC-UHFFFAOYSA-N 1 0 457.553 4.912 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCOCC2CC2)CC1 ZINC001360149563 1065053306 /nfs/dbraw/zinc/05/33/06/1065053306.db2.gz UMZPKHAHBWAGRO-UHFFFAOYSA-N 1 0 496.881 4.708 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(Br)c3)CCCC2)[C@@H](C)C1 ZINC001360150464 1065054492 /nfs/dbraw/zinc/05/44/92/1065054492.db2.gz CPGFMFYLUZFIIS-RXVVDRJESA-N 1 0 451.449 4.514 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001360153067 1065056381 /nfs/dbraw/zinc/05/63/81/1065056381.db2.gz DQJXOLDRDSRDEC-UHFFFAOYSA-N 1 0 494.949 4.503 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(C(C)(C)C)n3[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC001360156172 1065057857 /nfs/dbraw/zinc/05/78/57/1065057857.db2.gz SSLJGLLPKPCANQ-TZIWHRDSSA-N 1 0 484.655 4.864 20 0 JJADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCCC(F)(F)F)C2)CC1 ZINC001360156090 1065058082 /nfs/dbraw/zinc/05/80/82/1065058082.db2.gz PXCBLYASSRGGMD-HXUWFJFHSA-N 1 0 484.998 4.546 20 0 JJADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1csc(-c2ccccc2Cl)n1 ZINC001360160550 1065059384 /nfs/dbraw/zinc/05/93/84/1065059384.db2.gz IZYAVGBKYNMVTQ-UHFFFAOYSA-N 1 0 454.983 4.541 20 0 JJADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1 ZINC001435912415 1065059859 /nfs/dbraw/zinc/05/98/59/1065059859.db2.gz GUBMKQXRWSEIHJ-UHFFFAOYSA-N 1 0 455.558 4.619 20 0 JJADRO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360161711 1065060759 /nfs/dbraw/zinc/06/07/59/1065060759.db2.gz GEUYNAVUQMFZGM-IBGZPJMESA-N 1 0 466.630 4.624 20 0 JJADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 ZINC001435914500 1065060920 /nfs/dbraw/zinc/06/09/20/1065060920.db2.gz SOKPIXQDNPMYFB-UHFFFAOYSA-N 1 0 457.640 4.734 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001360204631 1065079657 /nfs/dbraw/zinc/07/96/57/1065079657.db2.gz SEMSOXYHEBHUPH-HSZRJFAPSA-N 1 0 480.701 4.703 20 0 JJADRO C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)C1 ZINC001360216128 1065084125 /nfs/dbraw/zinc/08/41/25/1065084125.db2.gz BDFWCVUMDREVGT-RDPSFJRHSA-N 1 0 458.647 4.997 20 0 JJADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC001435973317 1065087601 /nfs/dbraw/zinc/08/76/01/1065087601.db2.gz FBXKJVGUXNSXNR-UHFFFAOYSA-N 1 0 457.500 4.594 20 0 JJADRO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)OC(C)(C)C)c2)CC1 ZINC001435975763 1065088526 /nfs/dbraw/zinc/08/85/26/1065088526.db2.gz MEKZCJFKVXOQSA-PKTZIBPZSA-N 1 0 458.647 4.631 20 0 JJADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)c2)CC1 ZINC001435976509 1065089155 /nfs/dbraw/zinc/08/91/55/1065089155.db2.gz QABYUYZMRFNALW-UHFFFAOYSA-N 1 0 458.393 4.882 20 0 JJADRO CC(C)(C)OC(=O)[C@]1(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC=CCC1 ZINC001360247884 1065097570 /nfs/dbraw/zinc/09/75/70/1065097570.db2.gz DVGBBFCUAYSHEB-AREMUKBSSA-N 1 0 455.599 4.508 20 0 JJADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2coc(-c3c(F)cccc3F)n2)cc1 ZINC001360257099 1065102955 /nfs/dbraw/zinc/10/29/55/1065102955.db2.gz LLUKUBAGHHVNMY-UHFFFAOYSA-N 1 0 454.477 4.687 20 0 JJADRO Cc1ccc(-c2nc(C(=O)Nc3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)cs2)n1C ZINC001360256903 1065102981 /nfs/dbraw/zinc/10/29/81/1065102981.db2.gz GZHSMJYUXLQRQK-UHFFFAOYSA-N 1 0 451.596 4.524 20 0 JJADRO CC(C)NC(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360262134 1065106717 /nfs/dbraw/zinc/10/67/17/1065106717.db2.gz BERRDSNVOAYCKD-UHFFFAOYSA-N 1 0 493.483 4.621 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NCc1ccc(I)cc1Cl)c1ccccc1 ZINC001436013573 1065111484 /nfs/dbraw/zinc/11/14/84/1065111484.db2.gz KLGMEOREMSAGJU-SFHVURJKSA-N 1 0 456.755 4.644 20 0 JJADRO CC(C)N1C(=O)C[C@@H](C(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001360284849 1065124176 /nfs/dbraw/zinc/12/41/76/1065124176.db2.gz NFMMPUIPGFUKFC-XXBNENTESA-N 1 0 452.014 4.550 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCS2)CC1 ZINC001360304759 1065138594 /nfs/dbraw/zinc/13/85/94/1065138594.db2.gz DNEXADYAJITTAP-DYESRHJHSA-N 1 0 464.079 4.934 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2ccccc2F)CC1 ZINC001360305008 1065139389 /nfs/dbraw/zinc/13/93/89/1065139389.db2.gz HJKLUZMNFKQCAT-UHFFFAOYSA-N 1 0 489.437 4.774 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(Cl)nc2)CC1 ZINC001360305351 1065139960 /nfs/dbraw/zinc/13/99/60/1065139960.db2.gz NPGXGJIQSRVISN-UHFFFAOYSA-N 1 0 463.388 4.801 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(Br)c3)n2CCSC(F)(F)F)CC1 ZINC001360305251 1065139986 /nfs/dbraw/zinc/13/99/86/1065139986.db2.gz LIKSIOIUJPTTJJ-UHFFFAOYSA-N 1 0 492.409 4.927 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC001436048627 1065142678 /nfs/dbraw/zinc/14/26/78/1065142678.db2.gz JGQXTYVHENXAAX-QFIPXVFZSA-N 1 0 450.410 4.541 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001360309497 1065145067 /nfs/dbraw/zinc/14/50/67/1065145067.db2.gz FNYFFTQMTKDXBP-VWPQPMDRSA-N 1 0 474.694 4.753 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001360309629 1065146044 /nfs/dbraw/zinc/14/60/44/1065146044.db2.gz IDROHUQUEBFKNW-FCHUYYIVSA-N 1 0 483.701 4.794 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001360310068 1065147258 /nfs/dbraw/zinc/14/72/58/1065147258.db2.gz XUZLPQDYVYUWDC-DYESRHJHSA-N 1 0 464.079 4.616 20 0 JJADRO Cc1ccc(SC2CCCC2)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC001360313992 1065149294 /nfs/dbraw/zinc/14/92/94/1065149294.db2.gz YEKAMVVLEGPVRM-HXUWFJFHSA-N 1 0 451.636 4.979 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320411 1065157221 /nfs/dbraw/zinc/15/72/21/1065157221.db2.gz XLDIIWSBWYEQPV-CUNXSJBXSA-N 1 0 469.674 4.638 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC001360323232 1065160782 /nfs/dbraw/zinc/16/07/82/1065160782.db2.gz YLMVULWCPXZDDB-UHFFFAOYSA-N 1 0 450.560 4.598 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC[N@H+](C)C2CCCC2)CCOC1 ZINC001360324349 1065163677 /nfs/dbraw/zinc/16/36/77/1065163677.db2.gz OBQNIVZBSNBFDT-RUZDIDTESA-N 1 0 494.055 4.622 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)Cc3cccs3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360324584 1065164306 /nfs/dbraw/zinc/16/43/06/1065164306.db2.gz QMMSYCBHQIMENV-RCZVLFRGSA-N 1 0 475.703 4.527 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3Cl)n2CC[N@H+](C)C2CCCCC2)CCOC1 ZINC001360325148 1065166319 /nfs/dbraw/zinc/16/63/19/1065166319.db2.gz YZARVXUDWQHVAT-SANMLTNESA-N 1 0 490.092 4.873 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)CCC(F)(F)F)n2C[C@H](c2ccccc2)[NH+]2CCCC2)CCOC1 ZINC001360328967 1065171889 /nfs/dbraw/zinc/17/18/89/1065171889.db2.gz PBOVIDVAQFJPMT-ZJSXRUAMSA-N 1 0 495.590 4.544 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3oc(Br)cc3C)c(OCC)c2)CC1 ZINC001436102270 1065181350 /nfs/dbraw/zinc/18/13/50/1065181350.db2.gz MECCRFUPZXZTAN-UHFFFAOYSA-N 1 0 450.377 4.534 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2CCC(C)(F)F)CCOC1 ZINC001360338288 1065186964 /nfs/dbraw/zinc/18/69/64/1065186964.db2.gz ATKGQNWKPWGJFG-LVXARBLLSA-N 1 0 497.675 4.845 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@H]2c2cccs2)cc1 ZINC001436116022 1065190315 /nfs/dbraw/zinc/19/03/15/1065190315.db2.gz OOTQDVGGDPELQB-QPPBQGQZSA-N 1 0 453.652 4.779 20 0 JJADRO CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC001360357839 1065209311 /nfs/dbraw/zinc/20/93/11/1065209311.db2.gz OLEAATBXHALGMX-JOCHJYFZSA-N 1 0 476.669 4.808 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001360359983 1065212563 /nfs/dbraw/zinc/21/25/63/1065212563.db2.gz NGCJMQIFOULYMP-QHCPKHFHSA-N 1 0 455.647 4.818 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCCC2)c1 ZINC001360360449 1065214563 /nfs/dbraw/zinc/21/45/63/1065214563.db2.gz VCZFCTSCASFZHQ-UHFFFAOYSA-N 1 0 469.033 4.903 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360364149 1065221035 /nfs/dbraw/zinc/22/10/35/1065221035.db2.gz JWUUZKXPHGFMDT-IBGZPJMESA-N 1 0 461.054 4.652 20 0 JJADRO CC(C)OC1CCN(c2nnc(COc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360367601 1065226711 /nfs/dbraw/zinc/22/67/11/1065226711.db2.gz JHWDUBILOJQVMX-UHFFFAOYSA-N 1 0 473.637 4.655 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cc(C(F)(F)F)cnc1Cl ZINC001436176577 1065230288 /nfs/dbraw/zinc/23/02/88/1065230288.db2.gz MXNKNNBWLMCMHC-UHFFFAOYSA-N 1 0 457.880 4.813 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)c1cnc(CCC(F)(F)F)s1 ZINC001436175998 1065230386 /nfs/dbraw/zinc/23/03/86/1065230386.db2.gz LERMCMRGHRPFJN-UHFFFAOYSA-N 1 0 457.518 4.697 20 0 JJADRO CC(C)OCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001360376483 1065234997 /nfs/dbraw/zinc/23/49/97/1065234997.db2.gz FGOXEJYKXXTZIN-OAQYLSRUSA-N 1 0 476.463 4.587 20 0 JJADRO CC(C)OCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360376924 1065236841 /nfs/dbraw/zinc/23/68/41/1065236841.db2.gz RWVGVGXXPUWTLW-UHFFFAOYSA-N 1 0 465.589 4.672 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197538 1065244573 /nfs/dbraw/zinc/24/45/73/1065244573.db2.gz JPAPDTDVNQZQLZ-VXKWHMMOSA-N 1 0 450.410 4.760 20 0 JJADRO CC(C)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360386120 1065250111 /nfs/dbraw/zinc/25/01/11/1065250111.db2.gz QXBHFSKXNJMORG-OYRHEFFESA-N 1 0 490.092 4.739 20 0 JJADRO CC(C)OCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001360386326 1065250625 /nfs/dbraw/zinc/25/06/25/1065250625.db2.gz YLNDDRNUWHQQQE-LJQANCHMSA-N 1 0 496.483 4.616 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)CCCOc3cccc(Cl)c3Cl)cc2)CC1 ZINC001436206379 1065251104 /nfs/dbraw/zinc/25/11/04/1065251104.db2.gz SPJWLBRVAVSVBQ-UHFFFAOYSA-N 1 0 451.394 4.942 20 0 JJADRO Cc1cc(Br)cc2cc(C(=O)NCc3ccc(OC4CC[NH+](C)CC4)cc3)oc21 ZINC001436206545 1065251121 /nfs/dbraw/zinc/25/11/21/1065251121.db2.gz UCQIMPNBTOKFLH-UHFFFAOYSA-N 1 0 457.368 4.907 20 0 JJADRO C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387224 1065251619 /nfs/dbraw/zinc/25/16/19/1065251619.db2.gz DATARZNEMVHLCK-XEPMYJLFSA-N 1 0 459.512 4.914 20 0 JJADRO O=C(CSCc1ccc(Br)cc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001436209694 1065252514 /nfs/dbraw/zinc/25/25/14/1065252514.db2.gz OKHJDGDRUGOXEH-QHCPKHFHSA-N 1 0 459.453 4.807 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001360388414 1065253065 /nfs/dbraw/zinc/25/30/65/1065253065.db2.gz TZVVLNBSJDRZDX-AREMUKBSSA-N 1 0 455.602 4.890 20 0 JJADRO CC(C)OCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360397130 1065261778 /nfs/dbraw/zinc/26/17/78/1065261778.db2.gz GDQGZTFBLJXRIP-UHFFFAOYSA-N 1 0 465.589 4.530 20 0 JJADRO CC(C)OCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360406799 1065269295 /nfs/dbraw/zinc/26/92/95/1065269295.db2.gz XDPXQYPPMDDLTC-QPPBQGQZSA-N 1 0 467.683 4.845 20 0 JJADRO CCCn1c(C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc2ccccc21 ZINC001360408548 1065271430 /nfs/dbraw/zinc/27/14/30/1065271430.db2.gz OPSPUIUEYFYGDC-UHFFFAOYSA-N 1 0 458.528 4.752 20 0 JJADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001360408611 1065272136 /nfs/dbraw/zinc/27/21/36/1065272136.db2.gz OVHUNHOIKBNZBE-VQTJNVASSA-N 1 0 451.920 4.531 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001360409356 1065272352 /nfs/dbraw/zinc/27/23/52/1065272352.db2.gz FMKCFFVRNLDNKJ-FPOVZHCZSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCc2nccs2)CC1 ZINC001360409688 1065272920 /nfs/dbraw/zinc/27/29/20/1065272920.db2.gz QGLUYIDOTALEED-UHFFFAOYSA-N 1 0 496.725 4.879 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC2(F)CCC2)CC1 ZINC001360409864 1065274077 /nfs/dbraw/zinc/27/40/77/1065274077.db2.gz WLPTYYVKHQVCGQ-UHFFFAOYSA-N 1 0 494.453 4.537 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001360409751 1065274119 /nfs/dbraw/zinc/27/41/19/1065274119.db2.gz SDZSGMLHXPONJD-PMACEKPBSA-N 1 0 490.490 4.691 20 0 JJADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cc(-c2ccc(Br)cc2)ns1 ZINC001360412147 1065275788 /nfs/dbraw/zinc/27/57/88/1065275788.db2.gz MTNKWHGKOOFQPR-LJQANCHMSA-N 1 0 456.409 4.967 20 0 JJADRO Cc1ccc(CCCC(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)s1 ZINC001436257203 1065277421 /nfs/dbraw/zinc/27/74/21/1065277421.db2.gz OQOOCWNKBYPMDP-OAHLLOKOSA-N 1 0 450.446 4.921 20 0 JJADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(Cl)cc(Cl)n1 ZINC001436259704 1065278594 /nfs/dbraw/zinc/27/85/94/1065278594.db2.gz WSBOWIMOWCHWGZ-NSHDSACASA-N 1 0 458.187 4.544 20 0 JJADRO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1NC(=O)c1ccccc1F ZINC001436281613 1065286436 /nfs/dbraw/zinc/28/64/36/1065286436.db2.gz VBZNJYMVIXSHAM-FQEVSTJZSA-N 1 0 459.565 4.981 20 0 JJADRO CC(C)SCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001360424710 1065293150 /nfs/dbraw/zinc/29/31/50/1065293150.db2.gz GKDPEAULHKSJFI-SFTDATJTSA-N 1 0 492.734 4.556 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360427957 1065298838 /nfs/dbraw/zinc/29/88/38/1065298838.db2.gz ACQPUBJUTSPYCP-IBGZPJMESA-N 1 0 468.596 4.862 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(CC(C)(C)C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001360428645 1065301333 /nfs/dbraw/zinc/30/13/33/1065301333.db2.gz NMUKIMJNYSBFON-AZUAARDMSA-N 1 0 463.617 4.579 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360428678 1065301473 /nfs/dbraw/zinc/30/14/73/1065301473.db2.gz NXLFLKFKGCCBQA-LJQANCHMSA-N 1 0 468.596 4.862 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360432478 1065309930 /nfs/dbraw/zinc/30/99/30/1065309930.db2.gz KHYJSALUEGPDTF-JPYJTQIMSA-N 1 0 453.610 4.526 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360432479 1065309950 /nfs/dbraw/zinc/30/99/50/1065309950.db2.gz KHYJSALUEGPDTF-MBSDFSHPSA-N 1 0 453.610 4.526 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC1CCCCC1 ZINC001545898133 1065317972 /nfs/dbraw/zinc/31/79/72/1065317972.db2.gz NYYVFRNDNBWNDI-HSZRJFAPSA-N 1 0 472.722 4.725 20 0 JJADRO COC(=O)c1ccc(Cl)c(C(=O)N2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)c1 ZINC001436434447 1065318148 /nfs/dbraw/zinc/31/81/48/1065318148.db2.gz WRPLLDUIEZLFKO-QFIPXVFZSA-N 1 0 457.014 4.932 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC1CC(C)(C)C1 ZINC001545898327 1065321140 /nfs/dbraw/zinc/32/11/40/1065321140.db2.gz RMWRWSCNKGWAJF-NRFANRHFSA-N 1 0 472.722 4.725 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360439703 1065322140 /nfs/dbraw/zinc/32/21/40/1065322140.db2.gz LSKAQSHKKPSNBX-HWVJKLMQSA-N 1 0 473.712 4.875 20 0 JJADRO O=C(c1cccc(OC(F)F)c1)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001436450577 1065322154 /nfs/dbraw/zinc/32/21/54/1065322154.db2.gz RZJIYGLJJBNQFL-HSZRJFAPSA-N 1 0 451.517 4.990 20 0 JJADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360440362 1065323659 /nfs/dbraw/zinc/32/36/59/1065323659.db2.gz QRUJAARFZVEBNF-HXUWFJFHSA-N 1 0 487.714 4.801 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360440492 1065324284 /nfs/dbraw/zinc/32/42/84/1065324284.db2.gz SMUJLOYENSBOOX-JWFZFVAPSA-N 1 0 494.690 4.639 20 0 JJADRO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CC[NH+]1CCCCCC1 ZINC001360442499 1065328129 /nfs/dbraw/zinc/32/81/29/1065328129.db2.gz OGZKQHMFZYISMX-NLINSNCNSA-N 1 0 485.723 4.741 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360442758 1065328168 /nfs/dbraw/zinc/32/81/68/1065328168.db2.gz RWEJHQPMGCUANO-VSWMQDILSA-N 1 0 487.714 4.577 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360442757 1065328280 /nfs/dbraw/zinc/32/82/80/1065328280.db2.gz RWEJHQPMGCUANO-OTHANADMSA-N 1 0 487.714 4.577 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(O)c1)[N@H+](C)C1CC1 ZINC001360445415 1065333204 /nfs/dbraw/zinc/33/32/04/1065333204.db2.gz BRVJHHNMACQEQN-AAUAJYIVSA-N 1 0 455.647 4.582 20 0 JJADRO C[C@@H](c1ccccc1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCCC1 ZINC001360449894 1065340605 /nfs/dbraw/zinc/34/06/05/1065340605.db2.gz BQSSGRRWESBAJE-NRFANRHFSA-N 1 0 482.673 4.686 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCN(c2ccccc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001436531389 1065347337 /nfs/dbraw/zinc/34/73/37/1065347337.db2.gz MVXBNZYAGUEBML-HTAPYJJXSA-N 1 0 451.508 4.870 20 0 JJADRO COc1ccc(CCC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1Br ZINC001360455482 1065355454 /nfs/dbraw/zinc/35/54/54/1065355454.db2.gz MRLZLMXEQUEDAV-RXVVDRJESA-N 1 0 459.428 4.902 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001360458892 1065358885 /nfs/dbraw/zinc/35/88/85/1065358885.db2.gz BBADMKFREREECB-WNCULLNHSA-N 1 0 455.602 4.845 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc3cncc(Br)c3n2)CC[N@@H+]1Cc1ccccc1 ZINC001360459158 1065360240 /nfs/dbraw/zinc/36/02/40/1065360240.db2.gz FZUDOOYYVLMNHF-QFBILLFUSA-N 1 0 453.384 4.517 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(CCCc2ccccc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360459634 1065361716 /nfs/dbraw/zinc/36/17/16/1065361716.db2.gz XOXRIKVFUDAMSB-NLFFAJNJSA-N 1 0 453.656 4.681 20 0 JJADRO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)c1ccc(Br)cc1F ZINC001436559981 1065362449 /nfs/dbraw/zinc/36/24/49/1065362449.db2.gz NGESVEBACMVJLM-HNNXBMFYSA-N 1 0 459.363 4.504 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001360465657 1065374443 /nfs/dbraw/zinc/37/44/43/1065374443.db2.gz XUJWEOANZWCDEM-NRFANRHFSA-N 1 0 455.643 4.537 20 0 JJADRO CC(C)[NH+](CCCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1)C(C)C ZINC001360466255 1065377309 /nfs/dbraw/zinc/37/73/09/1065377309.db2.gz BFVQLSLIVSYJEG-NRFANRHFSA-N 1 0 475.751 4.715 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 ZINC001436579210 1065378241 /nfs/dbraw/zinc/37/82/41/1065378241.db2.gz CHHROGTUJQJZMQ-UHFFFAOYSA-N 1 0 457.937 4.506 20 0 JJADRO CCC[C@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC[N@@H+]1CCOC ZINC001545899667 1065380269 /nfs/dbraw/zinc/38/02/69/1065380269.db2.gz WHTQXWGZBHIQCF-KRWDZBQOSA-N 1 0 454.398 4.540 20 0 JJADRO C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360467668 1065382270 /nfs/dbraw/zinc/38/22/70/1065382270.db2.gz XHOYKOVOBMHVAE-GAJHUEQPSA-N 1 0 475.659 4.692 20 0 JJADRO Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001436598465 1065391604 /nfs/dbraw/zinc/39/16/04/1065391604.db2.gz HSBUNZMRDQVTCX-FQEVSTJZSA-N 1 0 451.592 4.934 20 0 JJADRO C[C@H](SCc1ccccc1)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436606830 1065395801 /nfs/dbraw/zinc/39/58/01/1065395801.db2.gz ZXGMXMOVNQHXKR-FQEVSTJZSA-N 1 0 458.071 4.775 20 0 JJADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001360485666 1065405630 /nfs/dbraw/zinc/40/56/30/1065405630.db2.gz LZORBKUVDRGAMY-DENIHFKCSA-N 1 0 494.709 4.841 20 0 JJADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@H+](C)C1CCCCC1 ZINC001360487433 1065406408 /nfs/dbraw/zinc/40/64/08/1065406408.db2.gz XZESTIATZGCNCW-GOSISDBHSA-N 1 0 498.672 4.777 20 0 JJADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1cccc(I)c1C ZINC001436636871 1065410370 /nfs/dbraw/zinc/41/03/70/1065410370.db2.gz KVMQXRKHBXYJMX-INIZCTEOSA-N 1 0 450.364 4.813 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545900456 1065423204 /nfs/dbraw/zinc/42/32/04/1065423204.db2.gz OMQGMYIVOCOIMH-GZNCHQMQSA-N 1 0 498.638 4.630 20 0 JJADRO COc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(Cl)c(OC)c1 ZINC001436689685 1065423307 /nfs/dbraw/zinc/42/33/07/1065423307.db2.gz LGDZKROAXZZMQZ-QZTJIDSGSA-N 1 0 457.983 4.668 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)Cc2c(C)cc(C)c(Br)c2C)CC1 ZINC001545901158 1065435723 /nfs/dbraw/zinc/43/57/23/1065435723.db2.gz DIFOTTMKGWSSLA-UHFFFAOYSA-N 1 0 453.465 4.514 20 0 JJADRO C[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360504959 1065438265 /nfs/dbraw/zinc/43/82/65/1065438265.db2.gz FSGSBBVVVSGSKA-FYYLOGMGSA-N 1 0 489.668 4.708 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001360505055 1065439181 /nfs/dbraw/zinc/43/91/81/1065439181.db2.gz GWXHPACTRXFUNQ-GCYXNMHMSA-N 1 0 483.701 4.843 20 0 JJADRO C[C@H](CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCOC1)[NH+]1CCCCC1 ZINC001360505384 1065440796 /nfs/dbraw/zinc/44/07/96/1065440796.db2.gz NPPLTZNUOKIALM-WOJBJXKFSA-N 1 0 490.490 4.835 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)C(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC001545901524 1065440871 /nfs/dbraw/zinc/44/08/71/1065440871.db2.gz PHRYEVMDERMXJS-UHFFFAOYSA-N 1 0 453.465 4.632 20 0 JJADRO C[C@H](CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Br)o1)[NH+]1CCCCC1 ZINC001360505918 1065442321 /nfs/dbraw/zinc/44/23/21/1065442321.db2.gz XNSCOEWOWFCXSF-QGZVFWFLSA-N 1 0 473.419 4.597 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360508391 1065447257 /nfs/dbraw/zinc/44/72/57/1065447257.db2.gz BIIFQEPARTVCDH-SJORKVTESA-N 1 0 497.528 4.758 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360508390 1065447274 /nfs/dbraw/zinc/44/72/74/1065447274.db2.gz BIIFQEPARTVCDH-IRXDYDNUSA-N 1 0 497.528 4.758 20 0 JJADRO C[C@@H](CCn1c(C2CCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360508732 1065448009 /nfs/dbraw/zinc/44/80/09/1065448009.db2.gz IBDYDWZKISTAIL-XUZZJYLKSA-N 1 0 496.700 4.902 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC001360508842 1065448047 /nfs/dbraw/zinc/44/80/47/1065448047.db2.gz JMUWGDDYVORZDZ-BAGYTPMASA-N 1 0 461.601 4.912 20 0 JJADRO C[C@@H](CCn1c(C2CCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360508631 1065448086 /nfs/dbraw/zinc/44/80/86/1065448086.db2.gz GJVWZTMMSPKZJW-UNMCSNQZSA-N 1 0 474.694 4.646 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360509090 1065449039 /nfs/dbraw/zinc/44/90/39/1065449039.db2.gz NJZPKEWDAMTDHE-QUCCMNQESA-N 1 0 457.585 4.953 20 0 JJADRO C[C@H](CCn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509416 1065449815 /nfs/dbraw/zinc/44/98/15/1065449815.db2.gz RQNNSLBPIHYQJP-QPPBQGQZSA-N 1 0 496.700 4.950 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1)[N@H+](C)Cc1ccccc1 ZINC001360509739 1065450663 /nfs/dbraw/zinc/45/06/63/1065450663.db2.gz XHEOKDMUESBERE-KNQAVFIVSA-N 1 0 461.601 4.912 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](C)c2ccccc2)CC1 ZINC001360509583 1065450738 /nfs/dbraw/zinc/45/07/38/1065450738.db2.gz VHAHBTPRGRBIRV-WIOPSUGQSA-N 1 0 453.675 4.923 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC001436847473 1065451394 /nfs/dbraw/zinc/45/13/94/1065451394.db2.gz QPLVJZDJZRJIJD-ATIYNZHBSA-N 1 0 450.529 4.899 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001436845956 1065451500 /nfs/dbraw/zinc/45/15/00/1065451500.db2.gz INZPDKKCNJGCSU-ILBGXUMGSA-N 1 0 454.680 4.871 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001360510080 1065451593 /nfs/dbraw/zinc/45/15/93/1065451593.db2.gz CVXQEPYADDICFJ-RPWUZVMVSA-N 1 0 494.728 4.778 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001360510079 1065451645 /nfs/dbraw/zinc/45/16/45/1065451645.db2.gz CVXQEPYADDICFJ-DNQXCXABSA-N 1 0 494.728 4.778 20 0 JJADRO C[C@@H](CCn1c(N2CCC(OC[C@H]3CCOC3)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360510226 1065452413 /nfs/dbraw/zinc/45/24/13/1065452413.db2.gz GQPPPDUZVFJGDQ-UPVQGACJSA-N 1 0 483.701 4.508 20 0 JJADRO C[C@@H](CCn1c(N(C)CC2CN(C(=O)OCc3ccccc3)C2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360510197 1065452550 /nfs/dbraw/zinc/45/25/50/1065452550.db2.gz GBVUTXTXOIWGIJ-QFIPXVFZSA-N 1 0 496.700 4.545 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1 ZINC001436852443 1065453493 /nfs/dbraw/zinc/45/34/93/1065453493.db2.gz ZXFSNPIHIDWALM-VDEHWKIFSA-N 1 0 455.668 4.633 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[C@H](C)c2ccccc2)CC1 ZINC001360510237 1065453558 /nfs/dbraw/zinc/45/35/58/1065453558.db2.gz GSBXEWUXKXVQLI-OEMFJLHTSA-N 1 0 496.700 4.773 20 0 JJADRO C[C@@H](CCn1c(COc2ccc(Cl)cc2)nnc1N(C)CC(F)(F)F)[NH+]1CCCCC1 ZINC001360510512 1065454410 /nfs/dbraw/zinc/45/44/10/1065454410.db2.gz MHOAQDVTPVYQFB-INIZCTEOSA-N 1 0 459.944 4.774 20 0 JJADRO C[C@H](CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1cccs1)[NH+]1CCCCC1 ZINC001360510566 1065454700 /nfs/dbraw/zinc/45/47/00/1065454700.db2.gz NMLGDHGPLFYVOM-MOPGFXCFSA-N 1 0 486.711 4.793 20 0 JJADRO C[C@H](CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC[C@@H]1C)[NH+]1CCCCC1 ZINC001360510598 1065454794 /nfs/dbraw/zinc/45/47/94/1065454794.db2.gz OFEJCWKVCXQAHU-MOPGFXCFSA-N 1 0 464.079 4.713 20 0 JJADRO C[C@@H](CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1cccs1)[NH+]1CCCCC1 ZINC001360510567 1065454808 /nfs/dbraw/zinc/45/48/08/1065454808.db2.gz NMLGDHGPLFYVOM-OALUTQOASA-N 1 0 486.711 4.793 20 0 JJADRO C[C@@H](CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC001360510924 1065455568 /nfs/dbraw/zinc/45/55/68/1065455568.db2.gz QWXDGRBPPOENKS-FQEVSTJZSA-N 1 0 497.485 4.927 20 0 JJADRO C[C@H](CCn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CCOCC1)[NH+]1CCCCC1 ZINC001360511135 1065455785 /nfs/dbraw/zinc/45/57/85/1065455785.db2.gz UAWGCVZFPGOPAQ-HXUWFJFHSA-N 1 0 476.065 4.638 20 0 JJADRO C[C@H](CCn1c(COc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCCCC1 ZINC001360511365 1065456387 /nfs/dbraw/zinc/45/63/87/1065456387.db2.gz WCHNJFWIHHRQKY-LJQANCHMSA-N 1 0 487.023 4.946 20 0 JJADRO C[C@H](CCn1c(COc2ccccc2F)nnc1N(C)CC1CC(F)(F)C1)[NH+]1CCCCC1 ZINC001360511192 1065456432 /nfs/dbraw/zinc/45/64/32/1065456432.db2.gz UZNFWFNHZPACTM-GOSISDBHSA-N 1 0 465.564 4.742 20 0 JJADRO C[C@@H](CCn1c(CC2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360511572 1065457065 /nfs/dbraw/zinc/45/70/65/1065457065.db2.gz YDEHKYVJKCIBLB-NRFANRHFSA-N 1 0 496.700 4.635 20 0 JJADRO C[C@@H](CCn1c(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511537 1065457143 /nfs/dbraw/zinc/45/71/43/1065457143.db2.gz XSCWLIBFTSQNNE-SFTDATJTSA-N 1 0 482.673 4.994 20 0 JJADRO C[C@H](CCn1c(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511536 1065457166 /nfs/dbraw/zinc/45/71/66/1065457166.db2.gz XSCWLIBFTSQNNE-RTWAWAEBSA-N 1 0 482.673 4.994 20 0 JJADRO C[C@@H](CCn1c(CCOc2ccccc2)nnc1N1CCC=C(Br)C1)[NH+]1CCCCC1 ZINC001360511746 1065458168 /nfs/dbraw/zinc/45/81/68/1065458168.db2.gz ZNXNLFGOLWKKGB-FQEVSTJZSA-N 1 0 488.474 4.653 20 0 JJADRO Cc1nn(-c2ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)cc2)c(C)c1Br ZINC001360511715 1065458245 /nfs/dbraw/zinc/45/82/45/1065458245.db2.gz UHAYHBAHTDYQDK-MRXNPFEDSA-N 1 0 455.400 4.502 20 0 JJADRO COc1ccc(-c2cc(C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)nn2-c2ccccc2)cc1 ZINC001360511863 1065458326 /nfs/dbraw/zinc/45/83/26/1065458326.db2.gz WAMCHBMDNPXEPP-NRFANRHFSA-N 1 0 454.574 4.798 20 0 JJADRO C[C@@H](CCn1c(Cc2cccnc2)nnc1N1CCSC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001360511730 1065458359 /nfs/dbraw/zinc/45/83/59/1065458359.db2.gz ZIKQFDZXDJAAQK-NRFANRHFSA-N 1 0 464.683 4.506 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)c1ccccc1 ZINC001360512211 1065459387 /nfs/dbraw/zinc/45/93/87/1065459387.db2.gz HVYSLPOANCQTRO-XMMPIXPASA-N 1 0 452.576 4.904 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSCC1)[N@H+](C)Cc1ccccc1 ZINC001360513593 1065460890 /nfs/dbraw/zinc/46/08/90/1065460890.db2.gz CPBHURYBCSEZCQ-MDNUFGMLSA-N 1 0 471.715 4.661 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001360514551 1065467630 /nfs/dbraw/zinc/46/76/30/1065467630.db2.gz VXPDLBOXPSHCJU-IBGZPJMESA-N 1 0 491.080 4.632 20 0 JJADRO Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)nn1CC(F)(F)F ZINC001436910464 1065468606 /nfs/dbraw/zinc/46/86/06/1065468606.db2.gz VVYNOCHQQXRJLT-ZJSXRUAMSA-N 1 0 456.512 4.782 20 0 JJADRO CCC(CC)n1nc(C)cc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001436960683 1065481133 /nfs/dbraw/zinc/48/11/33/1065481133.db2.gz SZBDKKBGIRHCQC-UHFFFAOYSA-N 1 0 450.425 4.565 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001360519829 1065489040 /nfs/dbraw/zinc/48/90/40/1065489040.db2.gz UOIMSZWRRBGCIT-INIZCTEOSA-N 1 0 477.476 4.744 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001360520304 1065492256 /nfs/dbraw/zinc/49/22/56/1065492256.db2.gz DKUPQQKKTNQIMM-LJQANCHMSA-N 1 0 465.671 4.864 20 0 JJADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001437004028 1065492740 /nfs/dbraw/zinc/49/27/40/1065492740.db2.gz CPIRZFZHJGSRSC-UHFFFAOYSA-N 1 0 454.571 4.525 20 0 JJADRO C[C@H](CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCC1)c1nccs1 ZINC001360521186 1065494745 /nfs/dbraw/zinc/49/47/45/1065494745.db2.gz RBKMERZQJSXWBV-OAHLLOKOSA-N 1 0 463.026 4.918 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(OC)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545904061 1065496901 /nfs/dbraw/zinc/49/69/01/1065496901.db2.gz NMTKCYMVXWJHDR-PXDATVDWSA-N 1 0 496.700 4.667 20 0 JJADRO CCc1nc(C(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC001437029121 1065498859 /nfs/dbraw/zinc/49/88/59/1065498859.db2.gz LUDMSTFUENWEGN-HXUWFJFHSA-N 1 0 452.002 4.608 20 0 JJADRO COc1ccc(CC[C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001360524217 1065498995 /nfs/dbraw/zinc/49/89/95/1065498995.db2.gz WCJQOISFBDQPDD-LOSJGSFVSA-N 1 0 450.623 4.930 20 0 JJADRO C[C@H](CN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1cccs1)[NH+](C)C)c1nccs1 ZINC001360525316 1065501611 /nfs/dbraw/zinc/50/16/11/1065501611.db2.gz SFHOQYBHZAGHCW-KZNAEPCWSA-N 1 0 460.673 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(O)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001545904247 1065501601 /nfs/dbraw/zinc/50/16/01/1065501601.db2.gz QJKZHKDXICNFCA-PKTZIBPZSA-N 1 0 496.681 4.608 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(O)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001545904248 1065501685 /nfs/dbraw/zinc/50/16/85/1065501685.db2.gz QJKZHKDXICNFCA-XZOQPEGZSA-N 1 0 496.681 4.608 20 0 JJADRO C[C@H](CN(C)c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCCC(C)(C)C1)c1nccs1 ZINC001360526163 1065503902 /nfs/dbraw/zinc/50/39/02/1065503902.db2.gz GXAXICORUBBSJX-OAQYLSRUSA-N 1 0 466.699 4.882 20 0 JJADRO CC1CCC([NH+]2CCN(C(=O)c3cccnc3Oc3cccc(Br)c3)CC2)CC1 ZINC001360527735 1065507212 /nfs/dbraw/zinc/50/72/12/1065507212.db2.gz NMIQXYZAWPZXPJ-UHFFFAOYSA-N 1 0 458.400 4.973 20 0 JJADRO C[C@@H](CN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1nccs1 ZINC001360529286 1065508827 /nfs/dbraw/zinc/50/88/27/1065508827.db2.gz FPGOSJHVPHPDHI-RXVVDRJESA-N 1 0 486.661 4.813 20 0 JJADRO C[C@@H](CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[NH+]1CCCCCC1)c1nccs1 ZINC001360529485 1065509001 /nfs/dbraw/zinc/50/90/01/1065509001.db2.gz HTMUZJHCXHYNGR-PWRODBHTSA-N 1 0 474.719 4.769 20 0 JJADRO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001545904931 1065510298 /nfs/dbraw/zinc/51/02/98/1065510298.db2.gz KDWMJZWYHJBBEZ-UGSOOPFHSA-N 1 0 450.423 4.578 20 0 JJADRO C[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+](C)C ZINC001360534368 1065515679 /nfs/dbraw/zinc/51/56/79/1065515679.db2.gz FASMLEVKAAVECD-CYBMUJFWSA-N 1 0 487.979 4.657 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(CCC(F)(F)F)CC1CC1)[NH+](C)C ZINC001360535428 1065517445 /nfs/dbraw/zinc/51/74/45/1065517445.db2.gz CSRBMVRFFAXMCA-CYBMUJFWSA-N 1 0 492.359 4.966 20 0 JJADRO C[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCc1ccccn1)[NH+](C)C ZINC001360536863 1065519994 /nfs/dbraw/zinc/51/99/94/1065519994.db2.gz SIEUJPFNDWMESH-LJQANCHMSA-N 1 0 452.672 4.690 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(Cl)=C(Cl)C1)[NH+](C)C ZINC001360536903 1065520793 /nfs/dbraw/zinc/52/07/93/1065520793.db2.gz UANUSKAJLIBOEM-NSHDSACASA-N 1 0 477.209 4.696 20 0 JJADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(Cl)=C(Cl)C1)[NH+](C)C ZINC001360541391 1065528024 /nfs/dbraw/zinc/52/80/24/1065528024.db2.gz KUAQHIMOQHDIFC-LLVKDONJSA-N 1 0 477.209 4.696 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(Cl)=C(Cl)C1)[NH+](C)C ZINC001360541392 1065528038 /nfs/dbraw/zinc/52/80/38/1065528038.db2.gz KUAQHIMOQHDIFC-NSHDSACASA-N 1 0 477.209 4.696 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)[NH+](C)C ZINC001360541684 1065529150 /nfs/dbraw/zinc/52/91/50/1065529150.db2.gz RSEMFKCCONEDPQ-QFIPXVFZSA-N 1 0 494.728 4.812 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001360542224 1065530892 /nfs/dbraw/zinc/53/08/92/1065530892.db2.gz YQULHHQZMCKDGR-OAHLLOKOSA-N 1 0 497.471 4.696 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCc1cccs1)[NH+](C)C ZINC001360542257 1065531377 /nfs/dbraw/zinc/53/13/77/1065531377.db2.gz SNLMEIOQSUXDQU-AWEZNQCLSA-N 1 0 466.424 4.537 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N(C)c1ccccc1 ZINC001360542612 1065531866 /nfs/dbraw/zinc/53/18/66/1065531866.db2.gz ZMBIHDHKDKOZPP-HXUWFJFHSA-N 1 0 482.076 4.829 20 0 JJADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccc(F)cc1 ZINC001360545609 1065536627 /nfs/dbraw/zinc/53/66/27/1065536627.db2.gz HDZARMURIFRRMN-FQEVSTJZSA-N 1 0 452.622 4.785 20 0 JJADRO C[C@@H]1CN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001437320140 1065537075 /nfs/dbraw/zinc/53/70/75/1065537075.db2.gz RJVJBWGDIDQDBP-PEKPJSAASA-N 1 0 457.659 4.970 20 0 JJADRO CCCCCCOc1ccc(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001437368939 1065542990 /nfs/dbraw/zinc/54/29/90/1065542990.db2.gz BPXFWGJYGOKSGJ-KAYWLYCHSA-N 1 0 450.623 4.690 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360559643 1065549161 /nfs/dbraw/zinc/54/91/61/1065549161.db2.gz KOCYHBOANUHQDO-FQEVSTJZSA-N 1 0 474.694 4.646 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360560277 1065550367 /nfs/dbraw/zinc/55/03/67/1065550367.db2.gz UIPPYTWSDYIXLI-XUZZJYLKSA-N 1 0 496.700 4.902 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC001360561679 1065552133 /nfs/dbraw/zinc/55/21/33/1065552133.db2.gz KENUGDMASMMEII-HNNXBMFYSA-N 1 0 455.352 4.511 20 0 JJADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C)[NH+](C)C ZINC001360562299 1065552548 /nfs/dbraw/zinc/55/25/48/1065552548.db2.gz BEDBKRGXTSNXMG-PQNGQFLHSA-N 1 0 496.700 4.725 20 0 JJADRO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC001360562909 1065553257 /nfs/dbraw/zinc/55/32/57/1065553257.db2.gz GFOBLEUNEQEZMW-YADHBBJMSA-N 1 0 496.700 4.902 20 0 JJADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1)[N@H+](C)Cc1ccccc1 ZINC001360564003 1065554451 /nfs/dbraw/zinc/55/44/51/1065554451.db2.gz NJTGGQBJLZYWBS-HKUYNNGSSA-N 1 0 464.441 4.592 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC001360565522 1065556266 /nfs/dbraw/zinc/55/62/66/1065556266.db2.gz XTGCUVOHIBHNGT-HGHGUNKESA-N 1 0 494.453 4.564 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1nccs1 ZINC001360569003 1065561277 /nfs/dbraw/zinc/56/12/77/1065561277.db2.gz ICTHQNNWSZCKEI-WOJBJXKFSA-N 1 0 452.672 4.838 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)Sc1ccccc1 ZINC001360570500 1065563659 /nfs/dbraw/zinc/56/36/59/1065563659.db2.gz SFCQAAFZTRFOML-FGZHOGPDSA-N 1 0 471.715 4.596 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)N(C)c1ccccc1 ZINC001360571526 1065565237 /nfs/dbraw/zinc/56/52/37/1065565237.db2.gz XHMLTWWHORIPFH-PKTZIBPZSA-N 1 0 452.691 4.704 20 0 JJADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC001360573237 1065567336 /nfs/dbraw/zinc/56/73/36/1065567336.db2.gz IATZQRPQJVZSMD-MRXNPFEDSA-N 1 0 476.522 4.541 20 0 JJADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001360574056 1065568475 /nfs/dbraw/zinc/56/84/75/1065568475.db2.gz YNVSEEQAXYAFOV-IBGZPJMESA-N 1 0 472.559 4.563 20 0 JJADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001360574033 1065568519 /nfs/dbraw/zinc/56/85/19/1065568519.db2.gz YIMSMAXYRBAZFR-IXDOHACOSA-N 1 0 451.993 4.733 20 0 JJADRO Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001437554065 1065573111 /nfs/dbraw/zinc/57/31/11/1065573111.db2.gz DFYAOGLWBNAVLG-UHFFFAOYSA-N 1 0 454.543 4.941 20 0 JJADRO C[N@H+](Cc1ccc2nc(NC(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)sc2c1)C1CC1 ZINC001437553932 1065573244 /nfs/dbraw/zinc/57/32/44/1065573244.db2.gz NNCRLTZSIYHNKK-UHFFFAOYSA-N 1 0 450.608 4.919 20 0 JJADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)Oc1ccccc1 ZINC001360580069 1065577537 /nfs/dbraw/zinc/57/75/37/1065577537.db2.gz YAHYDRZMYVOFKN-FQEVSTJZSA-N 1 0 453.656 4.709 20 0 JJADRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001360581603 1065578934 /nfs/dbraw/zinc/57/89/34/1065578934.db2.gz FPUPGLYCEFZQSP-QFIPXVFZSA-N 1 0 498.716 4.629 20 0 JJADRO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360582665 1065580147 /nfs/dbraw/zinc/58/01/47/1065580147.db2.gz PYGVDLXRHKWJOL-ZJSXRUAMSA-N 1 0 453.675 4.720 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]2CCC[C@H]21)[NH+](C)C ZINC001360583810 1065582522 /nfs/dbraw/zinc/58/25/22/1065582522.db2.gz KZLAXUARDRKZGU-GPMSIDNRSA-N 1 0 452.430 4.883 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)[N@H+](C)C1CC1 ZINC001360584548 1065584354 /nfs/dbraw/zinc/58/43/54/1065584354.db2.gz XQYYNVLMYVDYNZ-UXHICEINSA-N 1 0 469.674 4.641 20 0 JJADRO C[C@@H](Cn1c(N2CCC(CCC[NH+]3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001360586233 1065586553 /nfs/dbraw/zinc/58/65/53/1065586553.db2.gz CTVUDBSUIRNBTP-QFIPXVFZSA-N 1 0 453.675 4.708 20 0 JJADRO C[C@@H](Cn1c(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360587531 1065588947 /nfs/dbraw/zinc/58/89/47/1065588947.db2.gz RBZXYUZGXMOBFV-GJZGRUSLSA-N 1 0 470.609 4.918 20 0 JJADRO C[C@@H](Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(Br)s1)[N@H+](C)Cc1ccccc1 ZINC001360587958 1065590531 /nfs/dbraw/zinc/59/05/31/1065590531.db2.gz VNDKRAPNJMNDIT-HNNXBMFYSA-N 1 0 486.443 4.767 20 0 JJADRO C[C@@H](Cn1c(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360587935 1065590662 /nfs/dbraw/zinc/59/06/62/1065590662.db2.gz VFSGBGCKPYUHAR-OXJNMPFZSA-N 1 0 465.564 4.655 20 0 JJADRO CN(CCc1ccccc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1)C(=O)OC(C)(C)C ZINC001360589904 1065594480 /nfs/dbraw/zinc/59/44/80/1065594480.db2.gz WUDMDRNHYURCOV-UHFFFAOYSA-N 1 0 455.599 4.679 20 0 JJADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001437733304 1065596884 /nfs/dbraw/zinc/59/68/84/1065596884.db2.gz ZOBDRJBAWOYLQT-PKTZIBPZSA-N 1 0 459.675 4.931 20 0 JJADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001437733301 1065597268 /nfs/dbraw/zinc/59/72/68/1065597268.db2.gz ZOBDRJBAWOYLQT-GOTSBHOMSA-N 1 0 459.675 4.931 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(Cl)c1)[NH+](C)C ZINC001360591043 1065597556 /nfs/dbraw/zinc/59/75/56/1065597556.db2.gz VNIFMPHCNHTTNH-XLIONFOSSA-N 1 0 477.053 4.590 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(C1)CCC(F)(F)CC2)[NH+](C)C ZINC001360591238 1065598467 /nfs/dbraw/zinc/59/84/67/1065598467.db2.gz ZHKMFVIGJZTGKW-MOPGFXCFSA-N 1 0 496.647 4.706 20 0 JJADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001360591358 1065598556 /nfs/dbraw/zinc/59/85/56/1065598556.db2.gz BSKPVTGCTMBCST-JOCHJYFZSA-N 1 0 494.728 4.716 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1F)C[NH+]1CCCC1 ZINC001360591598 1065598919 /nfs/dbraw/zinc/59/89/19/1065598919.db2.gz GOIMNUGXSSLVHQ-KRWDZBQOSA-N 1 0 489.437 4.554 20 0 JJADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360591772 1065599005 /nfs/dbraw/zinc/59/90/05/1065599005.db2.gz JPAWBDQENDRIPJ-IBGZPJMESA-N 1 0 498.672 4.505 20 0 JJADRO C[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC001360591821 1065599552 /nfs/dbraw/zinc/59/95/52/1065599552.db2.gz KKDRQKDYRZNHQL-QZTJIDSGSA-N 1 0 451.537 4.525 20 0 JJADRO C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC001360592092 1065599578 /nfs/dbraw/zinc/59/95/78/1065599578.db2.gz PIKCZXQJSPXZIQ-NJYVYQBISA-N 1 0 476.065 4.666 20 0 JJADRO CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001437748814 1065599891 /nfs/dbraw/zinc/59/98/91/1065599891.db2.gz UCJQKNQKEBFCDF-XMMPIXPASA-N 1 0 456.030 4.621 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC(F)(F)C1)C[NH+]1CCCC1 ZINC001360592278 1065600000 /nfs/dbraw/zinc/60/00/00/1065600000.db2.gz SCKZUHCGGCSZQH-INIZCTEOSA-N 1 0 482.417 4.921 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCOC1)C[NH+]1CCCC1 ZINC001360592264 1065600143 /nfs/dbraw/zinc/60/01/43/1065600143.db2.gz RZIYJPBBMMBNEK-DLBZAZTESA-N 1 0 496.881 4.566 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC=C(Br)C1)C[NH+]1CCCC1 ZINC001360592334 1065600951 /nfs/dbraw/zinc/60/09/51/1065600951.db2.gz TWMWQFZLJFLNIQ-MSOLQXFVSA-N 1 0 492.437 4.778 20 0 JJADRO C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCSC1)C[NH+]1CCCC1 ZINC001360592538 1065601748 /nfs/dbraw/zinc/60/17/48/1065601748.db2.gz XJVTVGCANYFFRQ-GGPKGHCWSA-N 1 0 464.079 4.745 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCSC1)C[NH+]1CCCC1 ZINC001360592539 1065601875 /nfs/dbraw/zinc/60/18/75/1065601875.db2.gz XJVTVGCANYFFRQ-HBFSDRIKSA-N 1 0 464.079 4.745 20 0 JJADRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593063 1065602473 /nfs/dbraw/zinc/60/24/73/1065602473.db2.gz DEFQGAJXLVLLHL-IFMALSPDSA-N 1 0 474.694 4.503 20 0 JJADRO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360592931 1065602634 /nfs/dbraw/zinc/60/26/34/1065602634.db2.gz AYQRFTYRNLMHHH-WOJBJXKFSA-N 1 0 475.628 4.663 20 0 JJADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC001360593380 1065603310 /nfs/dbraw/zinc/60/33/10/1065603310.db2.gz GLZXHQGZJGDUJZ-GHTZIAJQSA-N 1 0 465.564 4.907 20 0 JJADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001437773688 1065603728 /nfs/dbraw/zinc/60/37/28/1065603728.db2.gz ZXJOPYMFTQTKAB-OAHLLOKOSA-N 1 0 454.423 4.832 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593923 1065603974 /nfs/dbraw/zinc/60/39/74/1065603974.db2.gz KOULRZCWLQWQCO-RXVVDRJESA-N 1 0 490.490 4.691 20 0 JJADRO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC(C)(C)C1)C[NH+]1CCCC1 ZINC001360594958 1065605524 /nfs/dbraw/zinc/60/55/24/1065605524.db2.gz WMXNHJHDMVCGLJ-LNRXMEIDSA-N 1 0 488.721 4.653 20 0 JJADRO C[C@H](Cn1c(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)nnc1C(C)(C)C)C[NH+]1CCCC1 ZINC001360594903 1065605549 /nfs/dbraw/zinc/60/55/49/1065605549.db2.gz VUASTPAZYLLNFR-LAUBAEHRSA-N 1 0 464.029 4.678 20 0 JJADRO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC001360594721 1065605557 /nfs/dbraw/zinc/60/55/57/1065605557.db2.gz UCCONJJKRLNIAH-PKOBYXMFSA-N 1 0 466.120 4.897 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594831 1065605669 /nfs/dbraw/zinc/60/56/69/1065605669.db2.gz RCWPDOPHAGGCOH-GPXNEJASSA-N 1 0 496.700 4.807 20 0 JJADRO CC(C)c1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360596754 1065610621 /nfs/dbraw/zinc/61/06/21/1065610621.db2.gz GSLHPJTWHBDIDT-LEWJYISDSA-N 1 0 474.644 4.685 20 0 JJADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)C1)C[NH+]1CCCCC1 ZINC001360596724 1065610649 /nfs/dbraw/zinc/61/06/49/1065610649.db2.gz GBTCJJZFMALIRM-INIZCTEOSA-N 1 0 455.500 4.514 20 0 JJADRO CC(C)c1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360596757 1065610664 /nfs/dbraw/zinc/61/06/64/1065610664.db2.gz GSLHPJTWHBDIDT-SFTDATJTSA-N 1 0 474.644 4.685 20 0 JJADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1)C[NH+]1CCCCC1 ZINC001360596841 1065611144 /nfs/dbraw/zinc/61/11/44/1065611144.db2.gz IGHSPBJGTGOUMC-YADHBBJMSA-N 1 0 462.642 4.625 20 0 JJADRO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)C[NH+]1CCCCC1 ZINC001360596934 1065611211 /nfs/dbraw/zinc/61/12/11/1065611211.db2.gz KFFNJFRSSBWWHM-KRWDZBQOSA-N 1 0 458.532 4.516 20 0 JJADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1)C[NH+]1CCCCC1 ZINC001360596839 1065611229 /nfs/dbraw/zinc/61/12/29/1065611229.db2.gz IGHSPBJGTGOUMC-FGZHOGPDSA-N 1 0 462.642 4.625 20 0 JJADRO CC(C)c1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360597157 1065612179 /nfs/dbraw/zinc/61/21/79/1065612179.db2.gz MDKCVYWZHHRSQI-HYBUGGRVSA-N 1 0 457.638 4.613 20 0 JJADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC001360597348 1065612865 /nfs/dbraw/zinc/61/28/65/1065612865.db2.gz NKUOBQDHCHCHHK-MOPGFXCFSA-N 1 0 497.594 4.523 20 0 JJADRO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1Br)C[NH+]1CCCCC1 ZINC001360597192 1065612891 /nfs/dbraw/zinc/61/28/91/1065612891.db2.gz MPLALWFHTWMHJS-IBGZPJMESA-N 1 0 483.458 4.861 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597360 1065612975 /nfs/dbraw/zinc/61/29/75/1065612975.db2.gz NQJFWFSSYAKVNA-QRVBRYPASA-N 1 0 477.495 4.650 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597804 1065615356 /nfs/dbraw/zinc/61/53/56/1065615356.db2.gz SANWQDDHSXNMOX-AKFKNWHVSA-N 1 0 496.700 4.807 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360597790 1065615368 /nfs/dbraw/zinc/61/53/68/1065615368.db2.gz RMTCCEURPJORRC-QRVBRYPASA-N 1 0 460.464 4.922 20 0 JJADRO CC(C)c1nnc(N(Cc2ccccc2)CC2CCOCC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360597951 1065616059 /nfs/dbraw/zinc/61/60/59/1065616059.db2.gz TXQOWPGKYYQDBA-HSZRJFAPSA-N 1 0 453.675 4.957 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccco1)C[NH+]1CCCCC1 ZINC001360597948 1065616116 /nfs/dbraw/zinc/61/61/16/1065616116.db2.gz TWIFTDQSNGNZBL-UXHICEINSA-N 1 0 455.578 4.909 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1csc2ccccc12 ZINC001545909810 1065616744 /nfs/dbraw/zinc/61/67/44/1065616744.db2.gz VIPGLKVFGPHDLN-UHFFFAOYSA-N 1 0 482.698 4.770 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)C[NH+]1CCCCC1 ZINC001360598444 1065618392 /nfs/dbraw/zinc/61/83/92/1065618392.db2.gz BHUUGWUGKBKHMV-IRXDYDNUSA-N 1 0 486.608 4.753 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC(C)(C)[C@H]1C)C[NH+]1CCCCC1 ZINC001360598487 1065618430 /nfs/dbraw/zinc/61/84/30/1065618430.db2.gz YHJGYTLJHCQHJS-ZWKOTPCHSA-N 1 0 464.029 4.863 20 0 JJADRO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)C[NH+]1CCCCC1 ZINC001360598443 1065618471 /nfs/dbraw/zinc/61/84/71/1065618471.db2.gz BHUUGWUGKBKHMV-IAGOWNOFSA-N 1 0 486.608 4.753 20 0 JJADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360599165 1065620050 /nfs/dbraw/zinc/62/00/50/1065620050.db2.gz LGIIKMCGGCOVFV-NHCUHLMSSA-N 1 0 488.721 4.797 20 0 JJADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360599239 1065620779 /nfs/dbraw/zinc/62/07/79/1065620779.db2.gz MJAZIEQYVHVRHO-QWFCFKBJSA-N 1 0 467.555 4.765 20 0 JJADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccccc1F)C[NH+]1CCCCC1 ZINC001360599711 1065621528 /nfs/dbraw/zinc/62/15/28/1065621528.db2.gz VNWVXLNDZCRCRA-SFTDATJTSA-N 1 0 450.606 4.722 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360601840 1065624574 /nfs/dbraw/zinc/62/45/74/1065624574.db2.gz HTJKZHUZHNPMJD-VQTJNVASSA-N 1 0 476.065 4.636 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C)C[NH+]1CCCCC1 ZINC001360601575 1065624658 /nfs/dbraw/zinc/62/46/58/1065624658.db2.gz BVSCZIWHXXCCDW-RTBURBONSA-N 1 0 464.079 4.574 20 0 JJADRO CC(C)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001360602140 1065626191 /nfs/dbraw/zinc/62/61/91/1065626191.db2.gz MTZQRXKWZQQHAL-NRFANRHFSA-N 1 0 457.638 4.991 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@@H]1C)C[NH+]1CCCCC1 ZINC001360602367 1065626347 /nfs/dbraw/zinc/62/63/47/1065626347.db2.gz OEIOARLSODITPC-YADHBBJMSA-N 1 0 469.674 4.502 20 0 JJADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1)C[NH+]1CCCCC1 ZINC001360602315 1065626356 /nfs/dbraw/zinc/62/63/56/1065626356.db2.gz NLZQCHFQQFOBKQ-LJQANCHMSA-N 1 0 478.468 4.921 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CCCCC1)C[NH+]1CCOCC1 ZINC001360602490 1065626870 /nfs/dbraw/zinc/62/68/70/1065626870.db2.gz AZZVOHKDKONJAY-GOSISDBHSA-N 1 0 464.029 4.722 20 0 JJADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001360602754 1065626896 /nfs/dbraw/zinc/62/68/96/1065626896.db2.gz CVGKCPHNWHEZAJ-IBGZPJMESA-N 1 0 487.023 4.516 20 0 JJADRO C[C@H](Cn1c(N(Cc2ccccc2)C[C@H]2CCCO2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360602653 1065627039 /nfs/dbraw/zinc/62/70/39/1065627039.db2.gz QAELYHIEOVBNLC-LADGPHEKSA-N 1 0 453.675 4.883 20 0 JJADRO C[C@@H](Cn1c(N2CCO[C@@H](c3ccc(F)cc3F)C2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360603274 1065628149 /nfs/dbraw/zinc/62/81/49/1065628149.db2.gz SZJINLYQCJKMMF-XMSQKQJNSA-N 1 0 461.601 4.554 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1)C[NH+]1CCCCC1 ZINC001360603577 1065628605 /nfs/dbraw/zinc/62/86/05/1065628605.db2.gz VANHZCRJDPRZSP-ICSRJNTNSA-N 1 0 464.079 4.574 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001360604383 1065629514 /nfs/dbraw/zinc/62/95/14/1065629514.db2.gz QFPAGGBXEFFWPB-FPOVZHCZSA-N 1 0 490.490 4.548 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001360604382 1065629564 /nfs/dbraw/zinc/62/95/64/1065629564.db2.gz QFPAGGBXEFFWPB-CTNGQTDRSA-N 1 0 490.490 4.548 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C[NH+]1CCOCC1 ZINC001360604812 1065630624 /nfs/dbraw/zinc/63/06/24/1065630624.db2.gz YNGUQIPOQIZUFT-NNMXDRDESA-N 1 0 493.618 4.846 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CC1CCCCC1 ZINC001545911106 1065634264 /nfs/dbraw/zinc/63/42/64/1065634264.db2.gz UIEQSQDUOUNSOT-UHFFFAOYSA-N 1 0 484.664 4.628 20 0 JJADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC001360607491 1065634319 /nfs/dbraw/zinc/63/43/19/1065634319.db2.gz XYWCYERBSQVLLU-SFTDATJTSA-N 1 0 474.093 4.896 20 0 JJADRO Cc1c(C(=O)N(Cc2cccc(Cl)c2)CC(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001438002832 1065643958 /nfs/dbraw/zinc/64/39/58/1065643958.db2.gz OUMFOPDLVZSBAN-UHFFFAOYSA-N 1 0 452.002 4.515 20 0 JJADRO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360611993 1065650921 /nfs/dbraw/zinc/65/09/21/1065650921.db2.gz WFTUMJNUZLLUSZ-QPPBQGQZSA-N 1 0 496.700 4.807 20 0 JJADRO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001360612170 1065651942 /nfs/dbraw/zinc/65/19/42/1065651942.db2.gz XIJMJRWYKLRCAE-HXUWFJFHSA-N 1 0 474.694 4.551 20 0 JJADRO Cc1cc(C(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)oc1Br ZINC001438030502 1065655056 /nfs/dbraw/zinc/65/50/56/1065655056.db2.gz IBXNGSXPCYGGRP-AWEZNQCLSA-N 1 0 456.178 4.636 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC001438030296 1065655125 /nfs/dbraw/zinc/65/51/25/1065655125.db2.gz CNDKVMMKLUHVTN-SFHVURJKSA-N 1 0 455.318 4.920 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC001438032473 1065655884 /nfs/dbraw/zinc/65/58/84/1065655884.db2.gz KNBASNBGQOTEQP-OAHLLOKOSA-N 1 0 457.290 4.871 20 0 JJADRO COc1ccccc1C/C(C)=C\C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438037945 1065657649 /nfs/dbraw/zinc/65/76/49/1065657649.db2.gz ZEYWWKVRMGWZQP-RUDRXDDOSA-N 1 0 457.412 4.856 20 0 JJADRO Cc1ccc(C2(C(=O)N3CCO[C@H](CCC[NH+](C)C)C3)CCCCC2)c(Br)c1 ZINC001438057646 1065660837 /nfs/dbraw/zinc/66/08/37/1065660837.db2.gz DHBVETJGYGMVPE-LJQANCHMSA-N 1 0 451.449 4.529 20 0 JJADRO C[C@@H](COCc1ccccc1)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360615230 1065662562 /nfs/dbraw/zinc/66/25/62/1065662562.db2.gz RAXICGGLDLLNOJ-HSZRJFAPSA-N 1 0 476.669 4.751 20 0 JJADRO Cc1c(C(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)cnn1-c1ccc(F)cc1F ZINC001438061623 1065663153 /nfs/dbraw/zinc/66/31/53/1065663153.db2.gz NNGSTWIACHKYLD-UHFFFAOYSA-N 1 0 452.549 4.974 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@H](C)C(C)(F)F)c1 ZINC001438096989 1065670071 /nfs/dbraw/zinc/67/00/71/1065670071.db2.gz UXRAAJUENOLZOU-GXTWGEPZSA-N 1 0 452.373 4.929 20 0 JJADRO CC(F)(F)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001360626707 1065672146 /nfs/dbraw/zinc/67/21/46/1065672146.db2.gz RWCKHNKEJHBEEX-GOSISDBHSA-N 1 0 468.390 4.818 20 0 JJADRO C[NH+]1CCC(CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)(c2ccccc2)CC1 ZINC001438112663 1065673317 /nfs/dbraw/zinc/67/33/17/1065673317.db2.gz QMQMLSHSDPHNMI-UHFFFAOYSA-N 1 0 453.011 4.675 20 0 JJADRO Cc1ccc(O[C@@H](C)C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC001438121515 1065675007 /nfs/dbraw/zinc/67/50/07/1065675007.db2.gz OOCNFYRJOVUBSD-IBGZPJMESA-N 1 0 459.428 4.943 20 0 JJADRO C[C@@H](N1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1)C(F)(F)F ZINC001360636269 1065692343 /nfs/dbraw/zinc/69/23/43/1065692343.db2.gz CYJYJQDBRSRSGT-NQIIRXRSSA-N 1 0 498.663 4.514 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001360636956 1065696819 /nfs/dbraw/zinc/69/68/19/1065696819.db2.gz OJJZMLYXYPKTAP-ISKFKSNPSA-N 1 0 496.700 4.951 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001360637005 1065697563 /nfs/dbraw/zinc/69/75/63/1065697563.db2.gz PGTZRAYOFGDAKU-WSTZPKSXSA-N 1 0 491.080 4.678 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)C1 ZINC001360637596 1065701105 /nfs/dbraw/zinc/70/11/05/1065701105.db2.gz YXZBDWKALCXJGD-FDFHNCONSA-N 1 0 490.737 4.826 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)Cc1ccccc1OCc1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC001438249351 1065702151 /nfs/dbraw/zinc/70/21/51/1065702151.db2.gz GRYKOHZLISUDFE-JOCHJYFZSA-N 1 0 458.389 4.929 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)c2)CC1 ZINC001438254806 1065702816 /nfs/dbraw/zinc/70/28/16/1065702816.db2.gz BORRQFMWKHKOKX-NHCUHLMSSA-N 1 0 450.583 4.661 20 0 JJADRO O=C(Nc1cc(Br)ccc1CN1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC001438270170 1065704934 /nfs/dbraw/zinc/70/49/34/1065704934.db2.gz XHBBRYKYRUYAIN-UHFFFAOYSA-N 1 0 454.368 4.612 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCCCC2)C1 ZINC001360639081 1065706392 /nfs/dbraw/zinc/70/63/92/1065706392.db2.gz NANNIHFBWNDUBU-GMAHTHKFSA-N 1 0 488.721 4.626 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCCCC2)C1 ZINC001360639080 1065706427 /nfs/dbraw/zinc/70/64/27/1065706427.db2.gz NANNIHFBWNDUBU-GGAORHGYSA-N 1 0 488.721 4.626 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCCCC2)C1 ZINC001360639082 1065706506 /nfs/dbraw/zinc/70/65/06/1065706506.db2.gz NANNIHFBWNDUBU-JTHBVZDNSA-N 1 0 488.721 4.626 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCC2)C1 ZINC001360639652 1065708313 /nfs/dbraw/zinc/70/83/13/1065708313.db2.gz RLMBXWIJJMXMKW-SFTDATJTSA-N 1 0 476.710 4.581 20 0 JJADRO CCCOc1cccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)c1 ZINC001438326692 1065710018 /nfs/dbraw/zinc/71/00/18/1065710018.db2.gz FBTRCTSYVRKQRB-WUFINQPMSA-N 1 0 458.602 4.811 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001360641075 1065712652 /nfs/dbraw/zinc/71/26/52/1065712652.db2.gz CJHZSJDLAPROBI-OAQYLSRUSA-N 1 0 488.721 4.941 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCCC3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001360641340 1065713660 /nfs/dbraw/zinc/71/36/60/1065713660.db2.gz GYKHNSWFYDKCBH-XUZZJYLKSA-N 1 0 496.700 4.807 20 0 JJADRO O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001438357706 1065715689 /nfs/dbraw/zinc/71/56/89/1065715689.db2.gz KFSRDUCQRAPTGT-IBGZPJMESA-N 1 0 458.393 4.749 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1)c1ccccc1 ZINC001360644585 1065719422 /nfs/dbraw/zinc/71/94/22/1065719422.db2.gz BEWZINGJJPMTHG-SIKLNZKXSA-N 1 0 468.596 4.875 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001360645198 1065720554 /nfs/dbraw/zinc/72/05/54/1065720554.db2.gz GZBWQELRIKPGJV-NHCUHLMSSA-N 1 0 463.674 4.508 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 ZINC001360645949 1065721673 /nfs/dbraw/zinc/72/16/73/1065721673.db2.gz MNJQZOCTIPMYMH-RTWAWAEBSA-N 1 0 466.674 4.516 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001360646411 1065721974 /nfs/dbraw/zinc/72/19/74/1065721974.db2.gz PSTRBVKSUAEFFQ-NTOOTBGVSA-N 1 0 469.674 4.900 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001360646413 1065721988 /nfs/dbraw/zinc/72/19/88/1065721988.db2.gz PSTRBVKSUAEFFQ-ZVUIFXONSA-N 1 0 469.674 4.900 20 0 JJADRO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC001360658757 1065727890 /nfs/dbraw/zinc/72/78/90/1065727890.db2.gz PEHVVUGLJLIJSY-GMAHTHKFSA-N 1 0 458.002 4.548 20 0 JJADRO C[C@H]1CCc2c(C(=O)NCc3cc(C(F)(F)F)ccc3N3CC[NH+](C)CC3)csc2C1 ZINC001360677457 1065733311 /nfs/dbraw/zinc/73/33/11/1065733311.db2.gz FUKHZEQCQLFTFR-HNNXBMFYSA-N 1 0 451.558 4.574 20 0 JJADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC001360697905 1065739070 /nfs/dbraw/zinc/73/90/70/1065739070.db2.gz RKLULLNJJIUMGX-SZHLLGMXSA-N 1 0 451.920 4.613 20 0 JJADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC001360697908 1065739703 /nfs/dbraw/zinc/73/97/03/1065739703.db2.gz RKLULLNJJIUMGX-WNSCPLKPSA-N 1 0 451.920 4.613 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360727017 1065754075 /nfs/dbraw/zinc/75/40/75/1065754075.db2.gz LIMRRVJDKYDPCM-RUZDIDTESA-N 1 0 460.066 4.850 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+]1Cc1ccccc1 ZINC001360735394 1065763767 /nfs/dbraw/zinc/76/37/67/1065763767.db2.gz RDPPSQANBKCLLE-LPHOPBHVSA-N 1 0 456.384 4.644 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360739932 1065772661 /nfs/dbraw/zinc/77/26/61/1065772661.db2.gz ZBCHMNLCKGYRNQ-NZQKXSOJSA-N 1 0 473.637 4.685 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001360741908 1065776059 /nfs/dbraw/zinc/77/60/59/1065776059.db2.gz SPEVMTTXTVHTQC-HXUWFJFHSA-N 1 0 485.604 4.676 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc3c(cc2Br)OCO3)CCCCC1 ZINC001439095906 1065784927 /nfs/dbraw/zinc/78/49/27/1065784927.db2.gz GSHHLBMEBKXSBE-UHFFFAOYSA-N 1 0 459.384 4.743 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCOCC(F)F ZINC001360745682 1065785822 /nfs/dbraw/zinc/78/58/22/1065785822.db2.gz OLEODKIFQVPLKS-SFHVURJKSA-N 1 0 483.579 4.540 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCOCC(F)F ZINC001360745681 1065785908 /nfs/dbraw/zinc/78/59/08/1065785908.db2.gz OLEODKIFQVPLKS-GOSISDBHSA-N 1 0 483.579 4.540 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CCCCC1 ZINC001439101949 1065786234 /nfs/dbraw/zinc/78/62/34/1065786234.db2.gz XDNBEQQJCUPPBM-UHFFFAOYSA-N 1 0 453.671 4.803 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)[C@@H]1c1cccs1 ZINC001360746959 1065789149 /nfs/dbraw/zinc/78/91/49/1065789149.db2.gz INBUSPGQZNHFSH-KNDQPZNBSA-N 1 0 461.672 4.817 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001360749066 1065791444 /nfs/dbraw/zinc/79/14/44/1065791444.db2.gz KZNFCKFEBZSCTN-WIYYLYMNSA-N 1 0 495.590 4.540 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360749064 1065791511 /nfs/dbraw/zinc/79/15/11/1065791511.db2.gz KZNFCKFEBZSCTN-NQIIRXRSSA-N 1 0 495.590 4.540 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001360749428 1065792056 /nfs/dbraw/zinc/79/20/56/1065792056.db2.gz DPDACBIRBINWIN-FNAHDJPLSA-N 1 0 473.637 4.825 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC1=CCCCC1 ZINC001545920918 1065794535 /nfs/dbraw/zinc/79/45/35/1065794535.db2.gz CVOKJKQIILGRNO-UHFFFAOYSA-N 1 0 470.706 4.788 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCc1ccc(C)cc1C ZINC001545921024 1065796098 /nfs/dbraw/zinc/79/60/98/1065796098.db2.gz GSPPYRBPSMRTEL-UHFFFAOYSA-N 1 0 494.728 4.757 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CCS1 ZINC001360750880 1065796845 /nfs/dbraw/zinc/79/68/45/1065796845.db2.gz RCGDPJVGKIOUNL-XZOYJPPVSA-N 1 0 493.718 4.572 20 0 JJADRO O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001360751716 1065797768 /nfs/dbraw/zinc/79/77/68/1065797768.db2.gz HIPNRKNDGXDHFN-QGZVFWFLSA-N 1 0 451.398 4.843 20 0 JJADRO CC(C)[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)N1Cc2ccccc2C1=O ZINC001439226791 1065801339 /nfs/dbraw/zinc/80/13/39/1065801339.db2.gz UKXYGJMGGGWFAH-JOCHJYFZSA-N 1 0 459.512 4.920 20 0 JJADRO COc1cc(CC(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)cc(OC)c1OC ZINC001439224322 1065801713 /nfs/dbraw/zinc/80/17/13/1065801713.db2.gz LMCDAPSRHWXUFB-UHFFFAOYSA-N 1 0 452.473 4.508 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccccn2)n1CC1([NH+](C)C)CCC1 ZINC001360754584 1065806452 /nfs/dbraw/zinc/80/64/52/1065806452.db2.gz XSUIMVFGGOWDHC-SFHVURJKSA-N 1 0 455.006 4.587 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cnn(C)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360754686 1065807587 /nfs/dbraw/zinc/80/75/87/1065807587.db2.gz ZDHYBAWFBMVJOC-LJQANCHMSA-N 1 0 486.064 4.706 20 0 JJADRO CC(C)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001360756066 1065813123 /nfs/dbraw/zinc/81/31/23/1065813123.db2.gz NYOULICIPZTMMF-HXUWFJFHSA-N 1 0 490.092 4.791 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC=C(Br)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360758087 1065822340 /nfs/dbraw/zinc/82/23/40/1065822340.db2.gz MNPBLPRFBJKLKA-FOIQADDNSA-N 1 0 494.865 4.901 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CC(F)(F)F ZINC001360758360 1065824736 /nfs/dbraw/zinc/82/47/36/1065824736.db2.gz QXFNBYMGNHLOLB-SJORKVTESA-N 1 0 471.955 4.946 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCOCC[NH+](C)C ZINC001360759062 1065827064 /nfs/dbraw/zinc/82/70/64/1065827064.db2.gz XOSUSHHCQQKWAE-LVXARBLLSA-N 1 0 488.076 4.976 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001360759212 1065828628 /nfs/dbraw/zinc/82/86/28/1065828628.db2.gz YWYRHSIWHGAKFN-FPOVZHCZSA-N 1 0 476.065 4.545 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2CCCCO2)CC1 ZINC001360759887 1065830075 /nfs/dbraw/zinc/83/00/75/1065830075.db2.gz DCKSLGHWNSGYBG-TZIWHRDSSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001360760052 1065830382 /nfs/dbraw/zinc/83/03/82/1065830382.db2.gz GSCAGAQDSLLUIO-ZJOUEHCJSA-N 1 0 476.065 4.543 20 0 JJADRO C[C@H](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@H]1C)[NH+]1CCCCC1 ZINC001360760287 1065832034 /nfs/dbraw/zinc/83/20/34/1065832034.db2.gz JSBRRTLCCNQBLE-AQNXPRMDSA-N 1 0 462.038 4.561 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC2(F)CCC2)CC1 ZINC001360760608 1065833123 /nfs/dbraw/zinc/83/31/23/1065833123.db2.gz PJRNEENCJUNUJK-GOSISDBHSA-N 1 0 450.002 4.884 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360760856 1065834820 /nfs/dbraw/zinc/83/48/20/1065834820.db2.gz UKUUIZWFBSSMPV-NPPFBWRTSA-N 1 0 476.065 4.806 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)o1 ZINC001439496674 1065834879 /nfs/dbraw/zinc/83/48/79/1065834879.db2.gz DJLFGXDTSANCFX-KRWDZBQOSA-N 1 0 459.562 4.604 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001360760989 1065835738 /nfs/dbraw/zinc/83/57/38/1065835738.db2.gz WLURQCRBIPULEQ-UUOWRZLLSA-N 1 0 490.073 4.571 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(Nc2ccn(C)n2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360762196 1065837653 /nfs/dbraw/zinc/83/76/53/1065837653.db2.gz BPFGUWNNUHPMSZ-CRAIPNDOSA-N 1 0 472.018 4.913 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCSC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360762480 1065839283 /nfs/dbraw/zinc/83/92/83/1065839283.db2.gz GHSWEXPXUAKMHP-QRFRQXIXSA-N 1 0 475.659 4.863 20 0 JJADRO CC(C)[NH+](CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCCc2c1cnn2C)C(C)C ZINC001360762697 1065840017 /nfs/dbraw/zinc/84/00/17/1065840017.db2.gz KDSOYWOWPRMKSW-REWPJTCUSA-N 1 0 497.663 4.923 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CCOCC2)C1 ZINC001360765019 1065847698 /nfs/dbraw/zinc/84/76/98/1065847698.db2.gz JLQAHLNPLHCJHD-UNMCSNQZSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CCOCC2)C1 ZINC001360765017 1065847750 /nfs/dbraw/zinc/84/77/50/1065847750.db2.gz JLQAHLNPLHCJHD-IRLDBZIGSA-N 1 0 473.637 4.540 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[NH+]1CCCCC1 ZINC001360765353 1065849826 /nfs/dbraw/zinc/84/98/26/1065849826.db2.gz PSYYUQFGJSKYME-SFHVURJKSA-N 1 0 472.996 4.728 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360767236 1065855162 /nfs/dbraw/zinc/85/51/62/1065855162.db2.gz MCPQZWGGEANSFE-PMACEKPBSA-N 1 0 473.637 4.825 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001360769171 1065860483 /nfs/dbraw/zinc/86/04/83/1065860483.db2.gz FDQDBBYITXALIN-UGKGYDQZSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCSC2)CC1 ZINC001360769719 1065863417 /nfs/dbraw/zinc/86/34/17/1065863417.db2.gz MLXDJFFBMHQPKM-FPOVZHCZSA-N 1 0 475.678 4.867 20 0 JJADRO CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001360772259 1065869543 /nfs/dbraw/zinc/86/95/43/1065869543.db2.gz AOFHZLCXDUHUFR-FQEVSTJZSA-N 1 0 473.637 4.540 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360774864 1065875447 /nfs/dbraw/zinc/87/54/47/1065875447.db2.gz UVIPFSWMUWAMOL-ZRCGQRJVSA-N 1 0 473.637 4.540 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001360774983 1065876083 /nfs/dbraw/zinc/87/60/83/1065876083.db2.gz QGSGVGZODINSME-QZTJIDSGSA-N 1 0 499.553 4.589 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001360777705 1065882155 /nfs/dbraw/zinc/88/21/55/1065882155.db2.gz DKFQRBAJNFIDJV-AABGKKOBSA-N 1 0 461.651 4.763 20 0 JJADRO CN(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1c(F)cccc1Cl ZINC001439820329 1065882270 /nfs/dbraw/zinc/88/22/70/1065882270.db2.gz UEKPKQCIFWHGOI-BBVWWWHTSA-N 1 0 466.000 4.866 20 0 JJADRO CC(C)(C)OC(=O)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CCCC1 ZINC001439819036 1065882426 /nfs/dbraw/zinc/88/24/26/1065882426.db2.gz OZXYQLRFWPNUDQ-NXCFDTQHSA-N 1 0 462.634 4.919 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360777940 1065883413 /nfs/dbraw/zinc/88/34/13/1065883413.db2.gz IDFXXEICXLARSY-FUHIMQAGSA-N 1 0 475.659 4.863 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001440143730 1065915941 /nfs/dbraw/zinc/91/59/41/1065915941.db2.gz SEORKTBFKOZYPN-IGKIAQTJSA-N 1 0 451.611 4.625 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)c1ccccc1 ZINC001440146092 1065916492 /nfs/dbraw/zinc/91/64/92/1065916492.db2.gz YNHYNOWIXZJUKC-RRPNLBNLSA-N 1 0 455.602 4.973 20 0 JJADRO CC1(C)CCCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCCC2)C1 ZINC001360805204 1065916877 /nfs/dbraw/zinc/91/68/77/1065916877.db2.gz KJCCFFFEFKJHEL-UHFFFAOYSA-N 1 0 450.400 4.569 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(-c3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001360808517 1065921548 /nfs/dbraw/zinc/92/15/48/1065921548.db2.gz OASAFXBEKGQROV-SFHVURJKSA-N 1 0 483.554 4.754 20 0 JJADRO Cc1sc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)nc1Br ZINC001440184440 1065922475 /nfs/dbraw/zinc/92/24/75/1065922475.db2.gz CVESMBKFTZCIRZ-HUUCEWRRSA-N 1 0 463.426 4.525 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](C(F)F)C2)C1 ZINC001360808856 1065922743 /nfs/dbraw/zinc/92/27/43/1065922743.db2.gz VUGCBPULWNQRFK-QGZVFWFLSA-N 1 0 452.981 4.597 20 0 JJADRO CC(C)(C)c1ccc(OCc2nnc(N3CCCC(C)(C)C3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001360808838 1065922799 /nfs/dbraw/zinc/92/27/99/1065922799.db2.gz WHQCNJMBJYHJDI-UHFFFAOYSA-N 1 0 483.701 4.893 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(-c3ccc(Br)s3)nnc2N2CC=CCC2)C1 ZINC001360809032 1065923200 /nfs/dbraw/zinc/92/32/00/1065923200.db2.gz ZPIRFEBPCQIRHY-UHFFFAOYSA-N 1 0 450.450 4.657 20 0 JJADRO CN(Cc1nccn1C(F)F)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001440303562 1065929602 /nfs/dbraw/zinc/92/96/02/1065929602.db2.gz HTJSAKAWPZUFSC-LEWJYISDSA-N 1 0 458.940 4.806 20 0 JJADRO CC(C)(C)c1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2CC[NH+]2CCSCC2)cc1 ZINC001360817219 1065929961 /nfs/dbraw/zinc/92/99/61/1065929961.db2.gz IZGRAAYXBHENIU-UHFFFAOYSA-N 1 0 471.715 4.830 20 0 JJADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC001440377210 1065934053 /nfs/dbraw/zinc/93/40/53/1065934053.db2.gz SOEQCFRFQUFHMI-UHFFFAOYSA-N 1 0 450.505 4.894 20 0 JJADRO CCc1c(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC001440377145 1065934116 /nfs/dbraw/zinc/93/41/16/1065934116.db2.gz YEZDAUFKRIRVGV-QHCPKHFHSA-N 1 0 452.986 4.664 20 0 JJADRO COc1ccc([C@@H](CNC(=O)c2cc3c([nH]2)c(Br)ccc3C)[NH+]2CCCC2)cc1 ZINC001440376385 1065934147 /nfs/dbraw/zinc/93/41/47/1065934147.db2.gz RCFIEXOUGDHPHJ-OAQYLSRUSA-N 1 0 456.384 4.814 20 0 JJADRO CC1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC[NH+]2CCCCC2)CCO1 ZINC001360821219 1065934813 /nfs/dbraw/zinc/93/48/13/1065934813.db2.gz UYYRSMIALKMULR-UHFFFAOYSA-N 1 0 496.881 4.852 20 0 JJADRO COc1cccc([C@@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)[NH+]2CCCC2)c1 ZINC001440383276 1065935473 /nfs/dbraw/zinc/93/54/73/1065935473.db2.gz ZFKBRAZHCAFVPM-OAQYLSRUSA-N 1 0 450.476 4.838 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(C)CCCC2)CC1 ZINC001360838549 1065949418 /nfs/dbraw/zinc/94/94/18/1065949418.db2.gz LEWTYDJLBZDSDT-UHFFFAOYSA-N 1 0 488.721 4.893 20 0 JJADRO COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001440585777 1065951728 /nfs/dbraw/zinc/95/17/28/1065951728.db2.gz DGAHARTVVABNOU-SANMLTNESA-N 1 0 454.574 4.889 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2Br)[NH+](C)C)cc1 ZINC001440675604 1065962273 /nfs/dbraw/zinc/96/22/73/1065962273.db2.gz WVRZSIKWXBNXOM-GOSISDBHSA-N 1 0 454.206 4.807 20 0 JJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C ZINC001440684750 1065966436 /nfs/dbraw/zinc/96/64/36/1065966436.db2.gz KORORCFLTVFIJQ-IBGZPJMESA-N 1 0 454.615 4.572 20 0 JJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001440687753 1065966789 /nfs/dbraw/zinc/96/67/89/1065966789.db2.gz UNCAUWSYZHUDPI-XMMPIXPASA-N 1 0 451.611 4.507 20 0 JJADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001440686085 1065966827 /nfs/dbraw/zinc/96/68/27/1065966827.db2.gz LJTJEYYRRMUMFI-UHFFFAOYSA-N 1 0 457.550 4.581 20 0 JJADRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OCc1ccccc1Cl ZINC001440702924 1065967801 /nfs/dbraw/zinc/96/78/01/1065967801.db2.gz FQJFKEBWLKGBQQ-QFIPXVFZSA-N 1 0 450.966 4.932 20 0 JJADRO C[C@@H](C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001440714193 1065970544 /nfs/dbraw/zinc/97/05/44/1065970544.db2.gz OFLDZAWLYNGQCE-YADARESESA-N 1 0 451.014 4.622 20 0 JJADRO O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001440727820 1065971255 /nfs/dbraw/zinc/97/12/55/1065971255.db2.gz OCTDEGFNUMPECV-UHFFFAOYSA-N 1 0 457.361 4.924 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001360853911 1065971706 /nfs/dbraw/zinc/97/17/06/1065971706.db2.gz QCPBIZJXCVSSLG-GEQKSPFYSA-N 1 0 480.495 4.562 20 0 JJADRO CC1=C(Br)CN(c2nnc(CCc3ccccc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001360854254 1065973134 /nfs/dbraw/zinc/97/31/34/1065973134.db2.gz SXAGGTXAGYQVNU-IBGZPJMESA-N 1 0 472.475 4.674 20 0 JJADRO CSc1c(F)cccc1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440745729 1065975445 /nfs/dbraw/zinc/97/54/45/1065975445.db2.gz HQTZIYUVLPUDRW-UHFFFAOYSA-N 1 0 455.521 4.509 20 0 JJADRO O=C(CCc1cccc(Cl)c1)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440747826 1065975654 /nfs/dbraw/zinc/97/56/54/1065975654.db2.gz QKKPLSBNHHIQFI-UHFFFAOYSA-N 1 0 453.936 4.620 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(C)=C(Br)C3)n2CC2([NH+](C)C)CCC2)c1 ZINC001360857766 1065976200 /nfs/dbraw/zinc/97/62/00/1065976200.db2.gz MAIQFRUOADSDDB-UHFFFAOYSA-N 1 0 488.474 4.837 20 0 JJADRO Cc1cccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001360858030 1065976883 /nfs/dbraw/zinc/97/68/83/1065976883.db2.gz WAKQGPAZTOQDLF-LJQANCHMSA-N 1 0 474.447 4.529 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1C ZINC001360862285 1065980402 /nfs/dbraw/zinc/98/04/02/1065980402.db2.gz LNVIGPUOEHPNGC-PIIWDFAUSA-N 1 0 489.668 4.542 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCCCC2)c1C ZINC001360862972 1065981712 /nfs/dbraw/zinc/98/17/12/1065981712.db2.gz ZHEILCLESYSPIT-UHFFFAOYSA-N 1 0 496.059 4.561 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1C ZINC001360864653 1065982649 /nfs/dbraw/zinc/98/26/49/1065982649.db2.gz DZXNFAFFLAITQH-QFIPXVFZSA-N 1 0 468.690 4.679 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)c1C ZINC001360865314 1065984284 /nfs/dbraw/zinc/98/42/84/1065984284.db2.gz YNONAAUJDKZZFU-UHFFFAOYSA-N 1 0 494.709 4.678 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@H](c2ccco2)[NH+](C)C)c1C ZINC001360865444 1065984603 /nfs/dbraw/zinc/98/46/03/1065984603.db2.gz BLSJRQLCWJCWJP-QZTJIDSGSA-N 1 0 465.520 4.929 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@@H](c2ccco2)[NH+](C)C)c1C ZINC001360865445 1065984643 /nfs/dbraw/zinc/98/46/43/1065984643.db2.gz BLSJRQLCWJCWJP-ROUUACIJSA-N 1 0 465.520 4.929 20 0 JJADRO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360865750 1065985629 /nfs/dbraw/zinc/98/56/29/1065985629.db2.gz IAEYOKFJSXOYQK-RLWLMLJZSA-N 1 0 498.697 4.713 20 0 JJADRO CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC001440870183 1065986293 /nfs/dbraw/zinc/98/62/93/1065986293.db2.gz FVHPCYOGWCKURH-SDNWHVSQSA-N 1 0 459.590 4.780 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCSCC1 ZINC001360865973 1065986656 /nfs/dbraw/zinc/98/66/56/1065986656.db2.gz KSJDZMIIKREGKJ-OAQYLSRUSA-N 1 0 469.655 4.622 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC001360866151 1065987314 /nfs/dbraw/zinc/98/73/14/1065987314.db2.gz NJSCTSYHOPZNSW-QWFCFKBJSA-N 1 0 497.606 4.921 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(C)(C)C)n2C[C@@]2([NH+](C)C)CCSC2)c1C ZINC001360866158 1065987546 /nfs/dbraw/zinc/98/75/46/1065987546.db2.gz NMRFOWRDXXTGFV-CPJSRVTESA-N 1 0 459.704 4.955 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1)c1ccccc1Cl ZINC001440874142 1065987738 /nfs/dbraw/zinc/98/77/38/1065987738.db2.gz GTKNHGIMSXVZNV-WOJBJXKFSA-N 1 0 452.357 4.825 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1cccc(OC)c1 ZINC001440881223 1065988549 /nfs/dbraw/zinc/98/85/49/1065988549.db2.gz QKZJEKCGNDNMHH-HSZRJFAPSA-N 1 0 455.599 4.784 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1cccc(OC)c1 ZINC001440882608 1065988803 /nfs/dbraw/zinc/98/88/03/1065988803.db2.gz SLHUOOQTCCOGNE-RUZDIDTESA-N 1 0 458.562 4.954 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccoc3)n2CC[N@@H+]2CCC[C@H](C)C2)c1C ZINC001360868330 1065991481 /nfs/dbraw/zinc/99/14/81/1065991481.db2.gz BFWQRGVXFFYIPN-SIKLNZKXSA-N 1 0 451.615 4.996 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCc3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)c1C ZINC001360869246 1065997020 /nfs/dbraw/zinc/99/70/20/1065997020.db2.gz NERXSHJLVZCQTA-QHCPKHFHSA-N 1 0 491.684 4.626 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1C ZINC001360869911 1066000311 /nfs/dbraw/zinc/00/03/11/1066000311.db2.gz RZFIZEQVYIRRCL-WIOPSUGQSA-N 1 0 491.684 4.972 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001360869890 1066000366 /nfs/dbraw/zinc/00/03/66/1066000366.db2.gz RQGPWQPQPULWLN-RBBKRZOGSA-N 1 0 466.630 4.924 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCOCCC(C)C)c1C ZINC001360870021 1066000743 /nfs/dbraw/zinc/00/07/43/1066000743.db2.gz LYAKDBBABPHZQQ-JRFVFWCSSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccoc3)n2C[C@@H](C)C[NH+]2CCCC2)c1C ZINC001360870352 1066002027 /nfs/dbraw/zinc/00/20/27/1066002027.db2.gz XGVQCVOMTQWIRR-SIKLNZKXSA-N 1 0 451.615 4.996 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCC[NH+]2CCC(O)CC2)c1C ZINC001360870388 1066002061 /nfs/dbraw/zinc/00/20/61/1066002061.db2.gz OUEPTSNFQOLUIT-DHIUTWEWSA-N 1 0 483.701 4.754 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@]2(O)CC[N@H+](C)C2)c1C ZINC001360871659 1066005865 /nfs/dbraw/zinc/00/58/65/1066005865.db2.gz ZAACFVGHQRIJJO-BERHBOFZSA-N 1 0 469.674 4.507 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@](C)(O)C2CC2)c1C ZINC001360872833 1066007140 /nfs/dbraw/zinc/00/71/40/1066007140.db2.gz BHLZHJKDXIENQT-SKCUWOTOSA-N 1 0 483.701 4.753 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1C ZINC001360872875 1066007242 /nfs/dbraw/zinc/00/72/42/1066007242.db2.gz AMNKUGAUTHIRDU-JWQCQUIFSA-N 1 0 496.744 4.933 20 0 JJADRO CC(C)[C@@H](C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1)[NH+]1CCCCC1 ZINC001441113707 1066008407 /nfs/dbraw/zinc/00/84/07/1066008407.db2.gz VZZYLLZYHMLVIP-VWLOTQADSA-N 1 0 459.030 4.750 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1C ZINC001360873632 1066010298 /nfs/dbraw/zinc/01/02/98/1066010298.db2.gz HFPSBEFZABQQGS-KSEOMHKRSA-N 1 0 467.614 4.546 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC(C)(C)O)c1C ZINC001360874193 1066011881 /nfs/dbraw/zinc/01/18/81/1066011881.db2.gz KOAWRULKOVHSJP-DNQXCXABSA-N 1 0 483.701 4.754 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CC[NH+]2CCSCC2)c1C ZINC001360874131 1066011960 /nfs/dbraw/zinc/01/19/60/1066011960.db2.gz MTTIOKJNZBMHGX-SYYKKAFVSA-N 1 0 457.688 4.566 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)c1C ZINC001360874270 1066012655 /nfs/dbraw/zinc/01/26/55/1066012655.db2.gz NLLVBONDYXKTEU-ISKFKSNPSA-N 1 0 483.701 4.876 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCCC3)n2CC2([NH+](C)C)CCOCC2)c1C ZINC001360874228 1066012665 /nfs/dbraw/zinc/01/26/65/1066012665.db2.gz LCYCQUSIMSJIJN-HSZRJFAPSA-N 1 0 469.674 4.916 20 0 JJADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC001441189556 1066013429 /nfs/dbraw/zinc/01/34/29/1066013429.db2.gz SRPXXECIVIJMCW-UHFFFAOYSA-N 1 0 457.018 4.917 20 0 JJADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001441189530 1066013584 /nfs/dbraw/zinc/01/35/84/1066013584.db2.gz SQRGSYCGKHCOQQ-NDEPHWFRSA-N 1 0 458.602 4.732 20 0 JJADRO CCc1ccccc1O[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC001441213211 1066015798 /nfs/dbraw/zinc/01/57/98/1066015798.db2.gz XRISSQRHJIAICE-NDEPHWFRSA-N 1 0 457.618 4.698 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@](C)(O)c2ccco2)c1C ZINC001360875441 1066017758 /nfs/dbraw/zinc/01/77/58/1066017758.db2.gz ZVOBLGFLYLNISC-ZBLYBZFDSA-N 1 0 481.641 4.502 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCOC(C)C)c1C ZINC001360875500 1066018308 /nfs/dbraw/zinc/01/83/08/1066018308.db2.gz UFQTURJNKKKTCY-PKTZIBPZSA-N 1 0 455.647 4.525 20 0 JJADRO CC[C@H](CNC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001441241297 1066019133 /nfs/dbraw/zinc/01/91/33/1066019133.db2.gz NTQUVEKZZVJBLE-NTKDMRAZSA-N 1 0 451.611 4.839 20 0 JJADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001441241760 1066019181 /nfs/dbraw/zinc/01/91/81/1066019181.db2.gz OWXQYOPNUKEFNV-JOCHJYFZSA-N 1 0 459.428 4.557 20 0 JJADRO CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[C@H]2CCCC[C@@H]21 ZINC001441245077 1066019692 /nfs/dbraw/zinc/01/96/92/1066019692.db2.gz VFFOTGIDCPVJBT-SGNDLWITSA-N 1 0 455.643 4.857 20 0 JJADRO CC[C@H](CNC(=O)c1cc(-c2cccc(Br)c2)no1)[N@@H+]1CCc2ccccc2C1 ZINC001441247076 1066020114 /nfs/dbraw/zinc/02/01/14/1066020114.db2.gz YOENYGYYNWDQHX-HXUWFJFHSA-N 1 0 454.368 4.671 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCCOC(C)C)c1C ZINC001360876841 1066021372 /nfs/dbraw/zinc/02/13/72/1066021372.db2.gz BWYADIHDZACORL-HSZRJFAPSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@](C)(O)c2ccsc2)c1C ZINC001360877090 1066022037 /nfs/dbraw/zinc/02/20/37/1066022037.db2.gz HRSHVBRTYZAPGU-JIPXPUAJSA-N 1 0 497.709 4.925 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2CC(C)C)c1C ZINC001360877096 1066022678 /nfs/dbraw/zinc/02/26/78/1066022678.db2.gz HUNOFMZZMGTSKM-VDKIKQQVSA-N 1 0 482.717 4.686 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCO[C@H]2C(C)C)c1C ZINC001360878061 1066024801 /nfs/dbraw/zinc/02/48/01/1066024801.db2.gz QVJBKBYNKKFUQU-CUYJMHBOSA-N 1 0 469.674 4.626 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCC(C)C)c1C ZINC001360878093 1066025022 /nfs/dbraw/zinc/02/50/22/1066025022.db2.gz RQVSLKLHXSWAHO-BJKOFHAPSA-N 1 0 469.674 4.630 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)/C(F)=C\c3ccc(F)c(C(F)(F)F)c3)cc2)CC1 ZINC001441314181 1066026270 /nfs/dbraw/zinc/02/62/70/1066026270.db2.gz NVNBGQHXWZPJDP-KGENOOAVSA-N 1 0 453.455 4.931 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cnn(-c4ccccc4C)c3C(F)F)cc2)CC1 ZINC001441317811 1066026888 /nfs/dbraw/zinc/02/68/88/1066026888.db2.gz UCGILEOQFYTBTR-UHFFFAOYSA-N 1 0 453.537 4.508 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@H]3C)n2CC2([NH+](C)C)CCCC2)c1C ZINC001360878812 1066027346 /nfs/dbraw/zinc/02/73/46/1066027346.db2.gz AQOVLSIEVYZOIC-TZIWHRDSSA-N 1 0 457.688 4.851 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCSCC3)n2CCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001360879077 1066028472 /nfs/dbraw/zinc/02/84/72/1066028472.db2.gz FUPQUKUTPQCJLM-IFMALSPDSA-N 1 0 457.688 4.853 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCSCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001360879079 1066028605 /nfs/dbraw/zinc/02/86/05/1066028605.db2.gz FUPQUKUTPQCJLM-RBBKRZOGSA-N 1 0 457.688 4.853 20 0 JJADRO CCCOc1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(OC(C)C)c1 ZINC001441329242 1066029283 /nfs/dbraw/zinc/02/92/83/1066029283.db2.gz WLZNONUYHZEEOV-OYRHEFFESA-N 1 0 454.611 4.802 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCC[NH+](C(C)C)C(C)C)c1C ZINC001360879431 1066030353 /nfs/dbraw/zinc/03/03/53/1066030353.db2.gz KZXLUFWNRRGJJM-CUBQBAPOSA-N 1 0 499.700 4.540 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCC[NH+](C(C)C)C(C)C)c1C ZINC001360879434 1066030421 /nfs/dbraw/zinc/03/04/21/1066030421.db2.gz KZXLUFWNRRGJJM-YWEHKCAJSA-N 1 0 499.700 4.540 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@H]3C)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360879875 1066031548 /nfs/dbraw/zinc/03/15/48/1066031548.db2.gz RHWPRBBMZJUVRU-IFMALSPDSA-N 1 0 455.647 4.525 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC001441358294 1066033764 /nfs/dbraw/zinc/03/37/64/1066033764.db2.gz SSZMRBDVSUPJBH-INIZCTEOSA-N 1 0 458.484 4.917 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[NH+]2CCSCC2)c1C ZINC001360881208 1066034076 /nfs/dbraw/zinc/03/40/76/1066034076.db2.gz HUBCQOMEMVMIJU-YZGWKJHDSA-N 1 0 497.631 4.718 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(Br)cc3cccnc32)cc1 ZINC001441361783 1066034760 /nfs/dbraw/zinc/03/47/60/1066034760.db2.gz BBYVSQHJNDJRBA-UHFFFAOYSA-N 1 0 456.384 4.648 20 0 JJADRO CC1CC[NH+](CCNC(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 ZINC001441363026 1066035097 /nfs/dbraw/zinc/03/50/97/1066035097.db2.gz RXZYBTSQDOJQHI-IBGZPJMESA-N 1 0 458.430 4.750 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(Nc3ccn(C)n3)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360882027 1066035403 /nfs/dbraw/zinc/03/54/03/1066035403.db2.gz VHJCMYIZUYSXMN-FQEVSTJZSA-N 1 0 451.619 4.777 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 ZINC001441366093 1066035507 /nfs/dbraw/zinc/03/55/07/1066035507.db2.gz RYFYFPQHBNPIER-QHCPKHFHSA-N 1 0 452.643 4.530 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001360885066 1066040035 /nfs/dbraw/zinc/04/00/35/1066040035.db2.gz RJHZYJHNWGHYEB-UHFFFAOYSA-N 1 0 485.698 4.551 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001441443364 1066041232 /nfs/dbraw/zinc/04/12/32/1066041232.db2.gz GBVQZHRGTNYPOI-LEWJYISDSA-N 1 0 459.631 4.629 20 0 JJADRO CC1=C(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001360888097 1066041534 /nfs/dbraw/zinc/04/15/34/1066041534.db2.gz OVDSWNQLTQIWQY-QFIPXVFZSA-N 1 0 486.705 4.814 20 0 JJADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC001441447607 1066041643 /nfs/dbraw/zinc/04/16/43/1066041643.db2.gz SHZVRZPJJFCIAL-UHFFFAOYSA-N 1 0 457.368 4.634 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001441459093 1066042652 /nfs/dbraw/zinc/04/26/52/1066042652.db2.gz DCVQSWWFWAHHGX-OYRHEFFESA-N 1 0 450.623 4.979 20 0 JJADRO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001360892221 1066043890 /nfs/dbraw/zinc/04/38/90/1066043890.db2.gz POAFDSSNIONRQW-QFIPXVFZSA-N 1 0 451.659 4.958 20 0 JJADRO COc1ccc(C2(C(=O)NCc3ccc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)CCC2)cc1OC ZINC001441475656 1066045187 /nfs/dbraw/zinc/04/51/87/1066045187.db2.gz ANKSZLMVDVZFDR-SFTDATJTSA-N 1 0 450.623 4.920 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cc2)C1 ZINC001441478775 1066045352 /nfs/dbraw/zinc/04/53/52/1066045352.db2.gz IWKATPXYHPILEN-GASWSPIPSA-N 1 0 460.540 4.963 20 0 JJADRO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001441518808 1066047876 /nfs/dbraw/zinc/04/78/76/1066047876.db2.gz CFVYUJZIZNOKMX-PMOQBDJRSA-N 1 0 478.077 4.919 20 0 JJADRO Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2)cc1 ZINC001441525857 1066048243 /nfs/dbraw/zinc/04/82/43/1066048243.db2.gz UBLGCRKMSZHCBQ-VWNXMTODSA-N 1 0 451.611 4.529 20 0 JJADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001441562498 1066051044 /nfs/dbraw/zinc/05/10/44/1066051044.db2.gz OSCUEEBQFUCEPI-GOSISDBHSA-N 1 0 454.615 4.985 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cn(-c4ccc(Br)cc4)nn3)cc2)CC1 ZINC001441612862 1066053667 /nfs/dbraw/zinc/05/36/67/1066053667.db2.gz OHNIUWJDNNMGBB-UHFFFAOYSA-N 1 0 454.372 4.514 20 0 JJADRO Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001441614994 1066054184 /nfs/dbraw/zinc/05/41/84/1066054184.db2.gz WYNABDMXASBZIC-UHFFFAOYSA-N 1 0 458.628 4.960 20 0 JJADRO Cc1nc(N2CCN(c3nnc(-c4ccc(Cl)cc4Cl)n3C[C@H](C)[NH+](C)C)CC2)sc1C ZINC001360907701 1066062359 /nfs/dbraw/zinc/06/23/59/1066062359.db2.gz OAWCCXOMPUSDCP-AWEZNQCLSA-N 1 0 494.496 4.602 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H]2CCOC2)n1CC[NH+](C(C)C)C(C)C ZINC001360908121 1066063130 /nfs/dbraw/zinc/06/31/30/1066063130.db2.gz CICURLHMNPXGLY-NRFANRHFSA-N 1 0 482.698 4.969 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1C(C)C ZINC001441708905 1066063201 /nfs/dbraw/zinc/06/32/01/1066063201.db2.gz IXMIIVKBCXGASV-UHFFFAOYSA-N 1 0 459.638 4.636 20 0 JJADRO O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)ccc1F ZINC001441712587 1066063707 /nfs/dbraw/zinc/06/37/07/1066063707.db2.gz VAXNTJRQXNTJTH-QHCPKHFHSA-N 1 0 459.565 4.900 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)Cc2cnccn2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001360908990 1066064732 /nfs/dbraw/zinc/06/47/32/1066064732.db2.gz UHJYAXWKGOWHHD-QFIPXVFZSA-N 1 0 490.681 4.780 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001360909490 1066065822 /nfs/dbraw/zinc/06/58/22/1066065822.db2.gz SYLWJOCVLHMJLV-QSEAXJEQSA-N 1 0 455.643 4.537 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCC[N@@H+](C)C(C)C ZINC001360910404 1066066186 /nfs/dbraw/zinc/06/61/86/1066066186.db2.gz FPYCXBCDXOCZOO-RTBURBONSA-N 1 0 468.671 4.721 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCCCCO ZINC001360910425 1066066768 /nfs/dbraw/zinc/06/67/68/1066066768.db2.gz GFZGANDGXQXPJR-UHFFFAOYSA-N 1 0 468.671 4.506 20 0 JJADRO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)cc12 ZINC001441812284 1066071922 /nfs/dbraw/zinc/07/19/22/1066071922.db2.gz JBHOTEDODDMGEW-NRFANRHFSA-N 1 0 454.546 4.765 20 0 JJADRO Cc1ccsc1CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC001360919800 1066075124 /nfs/dbraw/zinc/07/51/24/1066075124.db2.gz BMKQOSJVVSQUKQ-UHFFFAOYSA-N 1 0 492.462 4.990 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)Cc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCCCC1 ZINC001441881789 1066077144 /nfs/dbraw/zinc/07/71/44/1066077144.db2.gz HLLZOGDGLFDBRE-JOCHJYFZSA-N 1 0 453.583 4.844 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)Cc1cccc(OCC(F)(F)F)c1)[NH+]1CCCCC1 ZINC001441890754 1066079108 /nfs/dbraw/zinc/07/91/08/1066079108.db2.gz WDHVUNJFHJXHRE-OAQYLSRUSA-N 1 0 450.501 4.522 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1ccc(Nc2nccs2)cc1F)[NH+]1CCCCC1 ZINC001441891995 1066079257 /nfs/dbraw/zinc/07/92/57/1066079257.db2.gz WRDARHNFNAVIBH-NRFANRHFSA-N 1 0 454.571 4.991 20 0 JJADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001360928948 1066084756 /nfs/dbraw/zinc/08/47/56/1066084756.db2.gz SEFXXTLIISDWQW-DNQXCXABSA-N 1 0 451.611 4.938 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001360929318 1066084779 /nfs/dbraw/zinc/08/47/79/1066084779.db2.gz BLVBHCLDSJMTFU-TZIWHRDSSA-N 1 0 485.604 4.596 20 0 JJADRO Cc1c(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCCC2)cnn1C ZINC001360930688 1066087461 /nfs/dbraw/zinc/08/74/61/1066087461.db2.gz WGHANDNFWNKJOE-FQEVSTJZSA-N 1 0 483.636 4.500 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)C[NH+]1CCCC1 ZINC001360931075 1066088205 /nfs/dbraw/zinc/08/82/05/1066088205.db2.gz ZQFNSNUQQXKCBZ-UYAOXDASSA-N 1 0 455.578 4.827 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)c2ccccc2)CC1 ZINC001442062410 1066088581 /nfs/dbraw/zinc/08/85/81/1066088581.db2.gz LTOMFMHPTWVMCV-IRLDBZIGSA-N 1 0 457.412 4.905 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)c2ccccc2)CC1 ZINC001442062412 1066088737 /nfs/dbraw/zinc/08/87/37/1066088737.db2.gz LTOMFMHPTWVMCV-UNMCSNQZSA-N 1 0 457.412 4.905 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360932060 1066089008 /nfs/dbraw/zinc/08/90/08/1066089008.db2.gz DKVSYRIHSOKQBN-HXUWFJFHSA-N 1 0 458.404 4.586 20 0 JJADRO CCN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001442072579 1066090337 /nfs/dbraw/zinc/09/03/37/1066090337.db2.gz LCGDVDKSILBIIN-NVQXNPDNSA-N 1 0 456.586 4.980 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC001360932723 1066090244 /nfs/dbraw/zinc/09/02/44/1066090244.db2.gz QWDUMKQXKLZMHW-LJQANCHMSA-N 1 0 470.065 4.789 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CCCCC1 ZINC001442078145 1066090763 /nfs/dbraw/zinc/09/07/63/1066090763.db2.gz JBHSEPUFLKONOI-OAQYLSRUSA-N 1 0 454.014 4.774 20 0 JJADRO CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001442078450 1066090904 /nfs/dbraw/zinc/09/09/04/1066090904.db2.gz SLMINMKPTMVHFO-WMZHIEFXSA-N 1 0 452.599 4.655 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001442082207 1066091169 /nfs/dbraw/zinc/09/11/69/1066091169.db2.gz XZNNNVASIJAVBR-KCWPFWIISA-N 1 0 455.643 4.714 20 0 JJADRO CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001442082570 1066091808 /nfs/dbraw/zinc/09/18/08/1066091808.db2.gz ZPKINUGZZDVGAQ-NZQKXSOJSA-N 1 0 459.594 4.840 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001360944680 1066099308 /nfs/dbraw/zinc/09/93/08/1066099308.db2.gz FKLCZJGGYSDKRL-ZWKOTPCHSA-N 1 0 457.569 4.805 20 0 JJADRO CCN1CCC([NH+]2CCC(C(=O)N[C@H](c3ccc(C(C)(C)C)cc3)C(F)(F)F)CC2)CC1 ZINC001442234453 1066105763 /nfs/dbraw/zinc/10/57/63/1066105763.db2.gz SEWXPEZOYDYJPQ-JOCHJYFZSA-N 1 0 453.593 4.900 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001360949661 1066106257 /nfs/dbraw/zinc/10/62/57/1066106257.db2.gz OHFSITDWLXDTJY-IBGZPJMESA-N 1 0 472.634 4.518 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2ccc(F)cc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001360949861 1066107570 /nfs/dbraw/zinc/10/75/70/1066107570.db2.gz WLYYWIXXCXXQNO-LJQANCHMSA-N 1 0 455.578 4.799 20 0 JJADRO CC(C)(C)c1cnc(CCC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)o1 ZINC001360952130 1066109202 /nfs/dbraw/zinc/10/92/02/1066109202.db2.gz WNZZHBONIKUBDH-IBGZPJMESA-N 1 0 451.533 4.818 20 0 JJADRO COCC[NH+]1CCC(NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001442301512 1066114078 /nfs/dbraw/zinc/11/40/78/1066114078.db2.gz XLFGAXUHZRBLQO-UHFFFAOYSA-N 1 0 456.439 4.622 20 0 JJADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442331412 1066116932 /nfs/dbraw/zinc/11/69/32/1066116932.db2.gz RSMWDGMYUYIUGT-WOJBJXKFSA-N 1 0 451.014 4.972 20 0 JJADRO C[N@H+](CCNC(=O)c1cc2cc(Br)cc(Br)c2o1)C1CCCCC1 ZINC001442335651 1066117700 /nfs/dbraw/zinc/11/77/00/1066117700.db2.gz HOCYJXCJWZJCJN-UHFFFAOYSA-N 1 0 458.194 4.952 20 0 JJADRO Cc1ccoc1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360959999 1066118162 /nfs/dbraw/zinc/11/81/62/1066118162.db2.gz VVNGUYQZTVUJSF-UHFFFAOYSA-N 1 0 464.433 4.639 20 0 JJADRO C[N@H+](CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1)C1CCCCC1 ZINC001442341294 1066118290 /nfs/dbraw/zinc/11/82/90/1066118290.db2.gz WKLKGOAAIAROQN-YADHBBJMSA-N 1 0 464.050 4.671 20 0 JJADRO C[C@@H](CC(=O)N(CCCc1ccccc1)CC[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442342350 1066118340 /nfs/dbraw/zinc/11/83/40/1066118340.db2.gz KCHMQFAWWBIMDA-QFIPXVFZSA-N 1 0 459.675 4.683 20 0 JJADRO Cc1c(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)nnn1CC1CCCC1 ZINC001442352327 1066119222 /nfs/dbraw/zinc/11/92/22/1066119222.db2.gz MCKSTYXYKCMHPA-UHFFFAOYSA-N 1 0 452.430 4.678 20 0 JJADRO Cc1c(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)cnn1CC(C)C ZINC001360960540 1066119658 /nfs/dbraw/zinc/11/96/58/1066119658.db2.gz PPZWMJRJGWGXAU-UHFFFAOYSA-N 1 0 488.055 4.867 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001442355265 1066119835 /nfs/dbraw/zinc/11/98/35/1066119835.db2.gz RKAGCXYTRUNKPI-TWFHAPMSSA-N 1 0 484.468 4.823 20 0 JJADRO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001545948872 1066123600 /nfs/dbraw/zinc/12/36/00/1066123600.db2.gz YUCPUPZIUBTHLT-GMAHTHKFSA-N 1 0 452.647 4.504 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442447302 1066127286 /nfs/dbraw/zinc/12/72/86/1066127286.db2.gz LNHPUBVFXHIAQE-XMMPIXPASA-N 1 0 451.014 4.972 20 0 JJADRO C[C@H](CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC001442465295 1066128064 /nfs/dbraw/zinc/12/80/64/1066128064.db2.gz KTPUKTHXTUYUFR-QIJUGHKUSA-N 1 0 464.050 4.527 20 0 JJADRO Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)[NH+](C)C)cc1 ZINC001442478163 1066130862 /nfs/dbraw/zinc/13/08/62/1066130862.db2.gz UNHDSUTYKOSUIL-WNOPAQSVSA-N 1 0 459.993 4.505 20 0 JJADRO CCCc1c(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nnn1-c1cccc(C(C)C)c1 ZINC001442564541 1066138456 /nfs/dbraw/zinc/13/84/56/1066138456.db2.gz ACYFTCNYZMHXDQ-QFIPXVFZSA-N 1 0 451.659 4.927 20 0 JJADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC001442568506 1066139014 /nfs/dbraw/zinc/13/90/14/1066139014.db2.gz HRINIYDVJIRMBF-SHQCIBLASA-N 1 0 450.623 4.660 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2OC(F)F)[NH+]2CCCC2)cc1 ZINC001442594343 1066141672 /nfs/dbraw/zinc/14/16/72/1066141672.db2.gz PXAMBPWPQDKSLK-GOSISDBHSA-N 1 0 453.327 4.926 20 0 JJADRO Cn1c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc2cc(Br)cnc21 ZINC001442596863 1066142808 /nfs/dbraw/zinc/14/28/08/1066142808.db2.gz CJWQRDZTHPHZAY-UHFFFAOYSA-N 1 0 455.400 4.642 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC001360983614 1066143869 /nfs/dbraw/zinc/14/38/69/1066143869.db2.gz TUMOEDSKKLPRDT-HNNXBMFYSA-N 1 0 452.382 4.550 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC001360983616 1066143914 /nfs/dbraw/zinc/14/39/14/1066143914.db2.gz TUMOEDSKKLPRDT-OAHLLOKOSA-N 1 0 452.382 4.550 20 0 JJADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(I)c(O)c1 ZINC001442610938 1066144877 /nfs/dbraw/zinc/14/48/77/1066144877.db2.gz CVXSJEBVQLTTGW-UHFFFAOYSA-N 1 0 450.320 4.625 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)(C)C)n1CCC[NH+](C(C)C)C(C)C ZINC001360984294 1066145778 /nfs/dbraw/zinc/14/57/78/1066145778.db2.gz RKJRDCILJHQAPT-UHFFFAOYSA-N 1 0 456.679 4.776 20 0 JJADRO C[C@H](C1CC1)N(C(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001442631810 1066146333 /nfs/dbraw/zinc/14/63/33/1066146333.db2.gz HAJIRWXEOZDERO-HXUWFJFHSA-N 1 0 455.643 4.726 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)[NH+](C)C ZINC001360985414 1066147144 /nfs/dbraw/zinc/14/71/44/1066147144.db2.gz AAPYNEFMTXMQCL-PXNSSMCTSA-N 1 0 494.709 4.773 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc[nH]2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360985536 1066147846 /nfs/dbraw/zinc/14/78/46/1066147846.db2.gz DMKHUFWFSRQQQJ-OYRHEFFESA-N 1 0 491.684 4.723 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360985741 1066149117 /nfs/dbraw/zinc/14/91/17/1066149117.db2.gz KGKHHNZYRDOIHQ-HSZRJFAPSA-N 1 0 466.674 4.748 20 0 JJADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC001442669306 1066149946 /nfs/dbraw/zinc/14/99/46/1066149946.db2.gz SDBSTBJTBSDVTC-IIAWOOMASA-N 1 0 450.352 4.721 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001442726724 1066156083 /nfs/dbraw/zinc/15/60/83/1066156083.db2.gz OCMZKSKUHGUPQM-KRWDZBQOSA-N 1 0 456.458 4.749 20 0 JJADRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cc(Br)cc(Br)c1 ZINC001442752081 1066156867 /nfs/dbraw/zinc/15/68/67/1066156867.db2.gz CMUCIAWJVIPZCE-UHFFFAOYSA-N 1 0 458.238 4.986 20 0 JJADRO C[C@@H]1CCCC[C@H]1CNC(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001442755271 1066157189 /nfs/dbraw/zinc/15/71/89/1066157189.db2.gz ZCMJZJOAOOZYHA-GGAORHGYSA-N 1 0 457.659 4.879 20 0 JJADRO CC[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccccn1)[NH+]1CCCC1 ZINC001545951750 1066158525 /nfs/dbraw/zinc/15/85/25/1066158525.db2.gz BYACRFHQIZINDC-UGKGYDQZSA-N 1 0 469.033 4.977 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CCCO)CC2)n1C[C@H](C)[NH+](C)C ZINC001360989623 1066162521 /nfs/dbraw/zinc/16/25/21/1066162521.db2.gz HXEHELJLEQUZGH-PMACEKPBSA-N 1 0 478.081 4.627 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001360990211 1066166461 /nfs/dbraw/zinc/16/64/61/1066166461.db2.gz RCKOVOFHIPYIBV-ADYITMSISA-N 1 0 490.092 4.627 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360990201 1066166587 /nfs/dbraw/zinc/16/65/87/1066166587.db2.gz QYDPZJVUQPTWRX-UWHLTILDSA-N 1 0 476.065 4.786 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCCCCO ZINC001360990264 1066167051 /nfs/dbraw/zinc/16/70/51/1066167051.db2.gz RWPSMOFGCUBVSW-QZNHQXDQSA-N 1 0 490.092 4.914 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCOC1 ZINC001360990361 1066167556 /nfs/dbraw/zinc/16/75/56/1066167556.db2.gz ULWRWVFVYWIQGA-PMACEKPBSA-N 1 0 476.065 4.692 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCC[NH+]1CCOCC1 ZINC001360991927 1066170791 /nfs/dbraw/zinc/17/07/91/1066170791.db2.gz GZEQHILQGVORRJ-SJBKTWHCSA-N 1 0 494.055 4.595 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC1(O)CCC1 ZINC001360992009 1066171044 /nfs/dbraw/zinc/17/10/44/1066171044.db2.gz IKYWFIHUVOTQGA-NRFANRHFSA-N 1 0 490.092 4.771 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CC[NH+]1CCCCC1 ZINC001360992336 1066171560 /nfs/dbraw/zinc/17/15/60/1066171560.db2.gz MZCSPSNRKKODRN-SBHAEUEKSA-N 1 0 464.029 4.968 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001360992501 1066171791 /nfs/dbraw/zinc/17/17/91/1066171791.db2.gz OWISGHXYVOOUSC-JRGCBEDISA-N 1 0 476.065 4.645 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSCC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001360992690 1066172325 /nfs/dbraw/zinc/17/23/25/1066172325.db2.gz RBQKWVKBZOQSKK-YLJYHZDGSA-N 1 0 478.106 4.973 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(Nc2cnn(C)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001360993076 1066172912 /nfs/dbraw/zinc/17/29/12/1066172912.db2.gz XXVUASYXFXBFFG-LPHOPBHVSA-N 1 0 472.037 4.897 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCC[N@H+](C)C3CCCCC3)CC2)c(C)o1 ZINC001360994790 1066174090 /nfs/dbraw/zinc/17/40/90/1066174090.db2.gz ABFLRFMIVLXTLL-UHFFFAOYSA-N 1 0 484.689 4.665 20 0 JJADRO CCN(CC)c1ccc2cc(C(=O)NC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)c(=O)oc2c1 ZINC001360996377 1066175129 /nfs/dbraw/zinc/17/51/29/1066175129.db2.gz INIHZIKGWMKHCF-WZONZLPQSA-N 1 0 453.608 4.514 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)CN(C(=O)OC(C)(C)C)C1CC1)Cc1ccccc1 ZINC001361013187 1066198137 /nfs/dbraw/zinc/19/81/37/1066198137.db2.gz DENSGDVRTHAKJL-UHFFFAOYSA-N 1 0 451.611 4.547 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)COc1cccc2c1OC(C)(C)C2)Cc1ccccc1 ZINC001361013741 1066198940 /nfs/dbraw/zinc/19/89/40/1066198940.db2.gz UHDDVYJACMBZIW-UHFFFAOYSA-N 1 0 458.602 4.940 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@H+](C)C2CCCCC2)c(C)c1 ZINC001361014478 1066201163 /nfs/dbraw/zinc/20/11/63/1066201163.db2.gz DSOOMPRJUUSGLD-XMMPIXPASA-N 1 0 496.700 4.784 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)c(C)c1 ZINC001361014917 1066202256 /nfs/dbraw/zinc/20/22/56/1066202256.db2.gz WZJVXSQCQADRHJ-QFIPXVFZSA-N 1 0 480.682 4.910 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361020900 1066212396 /nfs/dbraw/zinc/21/23/96/1066212396.db2.gz MEAAVYZOMFILLW-HSZRJFAPSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361020974 1066212414 /nfs/dbraw/zinc/21/24/14/1066212414.db2.gz OUECCCCAVBSBQC-NRFANRHFSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC001361021114 1066213113 /nfs/dbraw/zinc/21/31/13/1066213113.db2.gz QQLBKSHWJAAIKY-JOCHJYFZSA-N 1 0 497.709 4.981 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001361021395 1066215003 /nfs/dbraw/zinc/21/50/03/1066215003.db2.gz WUVPPXUERFVWDX-NRFANRHFSA-N 1 0 468.671 4.831 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001361022328 1066217337 /nfs/dbraw/zinc/21/73/37/1066217337.db2.gz NEAIHUPJAODSPN-DEOSSOPVSA-N 1 0 481.685 4.502 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001361022571 1066218506 /nfs/dbraw/zinc/21/85/06/1066218506.db2.gz VIKSRZMFYILBSC-FQEVSTJZSA-N 1 0 465.564 4.879 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361022627 1066218640 /nfs/dbraw/zinc/21/86/40/1066218640.db2.gz WURKNOBPJYNDAN-RPWUZVMVSA-N 1 0 469.674 4.600 20 0 JJADRO CC[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cscn1)[NH+]1CCCC1 ZINC001545952039 1066224739 /nfs/dbraw/zinc/22/47/39/1066224739.db2.gz GYZBNYVPLREQLW-XLIONFOSSA-N 1 0 458.607 4.525 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545952032 1066224760 /nfs/dbraw/zinc/22/47/60/1066224760.db2.gz GWTLYTLTOCXLDU-VWDUAXENSA-N 1 0 473.637 4.683 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361026389 1066226255 /nfs/dbraw/zinc/22/62/55/1066226255.db2.gz ARNDWAMZMQALEE-UHFFFAOYSA-N 1 0 466.457 4.961 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2nccs2)c1 ZINC001361027034 1066228420 /nfs/dbraw/zinc/22/84/20/1066228420.db2.gz KGVJIMJMCCZGPQ-UHFFFAOYSA-N 1 0 468.671 4.535 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCC[C@H](O)C2)c1 ZINC001361027865 1066230934 /nfs/dbraw/zinc/23/09/34/1066230934.db2.gz SLOUCVUBWCTAAD-RPBOFIJWSA-N 1 0 483.701 4.582 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCC[C@@H](O)C2)c1 ZINC001361027763 1066231024 /nfs/dbraw/zinc/23/10/24/1066231024.db2.gz SLOUCVUBWCTAAD-JWQCQUIFSA-N 1 0 483.701 4.582 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001361027770 1066231268 /nfs/dbraw/zinc/23/12/68/1066231268.db2.gz CPARSHHMRSKATC-UNMCSNQZSA-N 1 0 495.590 4.506 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001361028543 1066233164 /nfs/dbraw/zinc/23/31/64/1066233164.db2.gz KQIICMLLJGYVAS-VABKMULXSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC=CCC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361028591 1066234029 /nfs/dbraw/zinc/23/40/29/1066234029.db2.gz MEOIEKQLTDDIDP-GOTSBHOMSA-N 1 0 451.659 4.997 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC=CCC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361028590 1066234069 /nfs/dbraw/zinc/23/40/69/1066234069.db2.gz MEOIEKQLTDDIDP-DHIUTWEWSA-N 1 0 451.659 4.997 20 0 JJADRO CCCN(C(=O)C1CCN(Cc2csc(C)n2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442886464 1066236982 /nfs/dbraw/zinc/23/69/82/1066236982.db2.gz YAPUVSCPBKOBDD-RUZDIDTESA-N 1 0 454.684 4.567 20 0 JJADRO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)c2)CC1 ZINC001442906233 1066238901 /nfs/dbraw/zinc/23/89/01/1066238901.db2.gz JKMIQZHUGLLYNH-QHCPKHFHSA-N 1 0 457.659 4.960 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)n2CCCC(C)C)c1 ZINC001361031034 1066239447 /nfs/dbraw/zinc/23/94/47/1066239447.db2.gz FXYNTYDSVBVJIH-UHFFFAOYSA-N 1 0 496.744 4.905 20 0 JJADRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cnnn3-c3cccc(Cl)c3Cl)c2)CC1 ZINC001442927990 1066242338 /nfs/dbraw/zinc/24/23/38/1066242338.db2.gz JHLBAEXSDPYNPP-UHFFFAOYSA-N 1 0 458.393 4.736 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)CC3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001361031718 1066242989 /nfs/dbraw/zinc/24/29/89/1066242989.db2.gz ZRURBZSBBAICOG-UHFFFAOYSA-N 1 0 461.601 4.974 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001361032051 1066244264 /nfs/dbraw/zinc/24/42/64/1066244264.db2.gz JLGNSFJDIZNSPQ-UKILVPOCSA-N 1 0 479.673 4.525 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361032154 1066244911 /nfs/dbraw/zinc/24/49/11/1066244911.db2.gz MHGVNSFIHXGRAQ-YWEHKCAJSA-N 1 0 483.701 4.726 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001545952906 1066246176 /nfs/dbraw/zinc/24/61/76/1066246176.db2.gz QMGOQSDXDOTJJL-YLJYHZDGSA-N 1 0 465.564 4.913 20 0 JJADRO O=C(CCOc1ccccc1Br)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454123152 1066248346 /nfs/dbraw/zinc/24/83/46/1066248346.db2.gz VOMZPUXNLUKWLR-HXUWFJFHSA-N 1 0 457.412 4.637 20 0 JJADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1OCc1ccccc1Br ZINC001454129701 1066248717 /nfs/dbraw/zinc/24/87/17/1066248717.db2.gz FHIBCTNFKCWNOH-LJQANCHMSA-N 1 0 457.412 4.880 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001454132736 1066249369 /nfs/dbraw/zinc/24/93/69/1066249369.db2.gz WYNQVCQEHRIRDH-VFNWGFHPSA-N 1 0 451.442 4.917 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545953387 1066250389 /nfs/dbraw/zinc/25/03/89/1066250389.db2.gz XGZYQVOVGNCDFI-WOIUINJBSA-N 1 0 476.065 4.807 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3Cc3cccs3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001361035020 1066252345 /nfs/dbraw/zinc/25/23/45/1066252345.db2.gz MZFCVOZKQYEAQF-RTWAWAEBSA-N 1 0 453.656 4.697 20 0 JJADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001443010863 1066252771 /nfs/dbraw/zinc/25/27/71/1066252771.db2.gz JCHPVUBSJXQDFR-FQEVSTJZSA-N 1 0 458.444 4.578 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCCO[C@H](C)C3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001361035156 1066252962 /nfs/dbraw/zinc/25/29/62/1066252962.db2.gz RKZHGTJOBUPKNH-HSZRJFAPSA-N 1 0 469.674 4.744 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCC(C)(F)F)c1 ZINC001361035282 1066253114 /nfs/dbraw/zinc/25/31/14/1066253114.db2.gz BQDBNIGWFQYQIU-FQEVSTJZSA-N 1 0 461.601 4.830 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC(F)(F)C2)c1 ZINC001361035390 1066253919 /nfs/dbraw/zinc/25/39/19/1066253919.db2.gz WMACRCAOKSJJMK-FQEVSTJZSA-N 1 0 461.601 4.830 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001545953129 1066254298 /nfs/dbraw/zinc/25/42/98/1066254298.db2.gz UKKRKAAURUHFJF-IQFVJIFQSA-N 1 0 496.700 4.663 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001361038532 1066257221 /nfs/dbraw/zinc/25/72/21/1066257221.db2.gz KUGNCNMWAOMKQQ-NDEPHWFRSA-N 1 0 483.701 4.991 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361038995 1066258977 /nfs/dbraw/zinc/25/89/77/1066258977.db2.gz VELTUUCNBJNXCY-DNQXCXABSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001361039200 1066259581 /nfs/dbraw/zinc/25/95/81/1066259581.db2.gz ADEXAZXZRKYSMZ-HSALFYBXSA-N 1 0 461.601 4.684 20 0 JJADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001454268901 1066261593 /nfs/dbraw/zinc/26/15/93/1066261593.db2.gz LOHOOZGJOFGXAQ-ZHRRBRCNSA-N 1 0 453.435 4.569 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSCC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001361039887 1066262419 /nfs/dbraw/zinc/26/24/19/1066262419.db2.gz YHRFBAXLSGQDPA-DFBJGRDBSA-N 1 0 457.688 4.538 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(Nc3ccn(C)n3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001361039799 1066262560 /nfs/dbraw/zinc/26/25/60/1066262560.db2.gz UTVKHXKLAZKIBA-UHFFFAOYSA-N 1 0 451.619 4.606 20 0 JJADRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098391 1066267320 /nfs/dbraw/zinc/26/73/20/1066267320.db2.gz PFOXGEMOXBPMFW-GCJKJVERSA-N 1 0 451.369 4.945 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001443103143 1066268736 /nfs/dbraw/zinc/26/87/36/1066268736.db2.gz LYFGYGGUZPRWDB-KRWDZBQOSA-N 1 0 450.549 4.536 20 0 JJADRO Cc1cc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361045532 1066270465 /nfs/dbraw/zinc/27/04/65/1066270465.db2.gz ALVSPFINECGEPI-FCHUYYIVSA-N 1 0 464.658 4.783 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001546060284 1066273802 /nfs/dbraw/zinc/27/38/02/1066273802.db2.gz XTFRVYJQNDJDDY-JTPXSGRQSA-N 1 0 466.674 4.894 20 0 JJADRO Cc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC001361046092 1066273706 /nfs/dbraw/zinc/27/37/06/1066273706.db2.gz VFOZDIRGQIKMPD-FUHWJXTLSA-N 1 0 460.548 4.921 20 0 JJADRO C[NH+](C)CCCN(C(=O)CCN1CSCCSC1)C(c1ccccc1)c1ccccc1 ZINC001443153157 1066274623 /nfs/dbraw/zinc/27/46/23/1066274623.db2.gz QXDOZPVHFXTSTP-UHFFFAOYSA-N 1 0 457.709 4.643 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@@H](C[NH+]3CCCCC3)c3ccccc3)cc2)c1 ZINC001443166168 1066276515 /nfs/dbraw/zinc/27/65/15/1066276515.db2.gz NTLLTWCFCOZFJE-MHZLTWQESA-N 1 0 455.602 4.882 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399283 1066277426 /nfs/dbraw/zinc/27/74/26/1066277426.db2.gz FENDNXJOOBGAEV-QDSKXPNFSA-N 1 0 451.611 4.669 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001361048543 1066277729 /nfs/dbraw/zinc/27/77/29/1066277729.db2.gz XKXOVVYDICZBQX-AZOUXBGGSA-N 1 0 457.659 4.877 20 0 JJADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001454404491 1066278179 /nfs/dbraw/zinc/27/81/79/1066278179.db2.gz UNGSSKOJUCPHIE-ASSXEAPQSA-N 1 0 453.671 4.659 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001454402725 1066278497 /nfs/dbraw/zinc/27/84/97/1066278497.db2.gz LAVBJVDDSMOIRU-CAVYSCNFSA-N 1 0 455.643 4.537 20 0 JJADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001454404497 1066278930 /nfs/dbraw/zinc/27/89/30/1066278930.db2.gz UNGSSKOJUCPHIE-GINFMSJVSA-N 1 0 453.671 4.659 20 0 JJADRO CCCc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)nnn1-c1cccc(Cl)c1 ZINC001454406831 1066279209 /nfs/dbraw/zinc/27/92/09/1066279209.db2.gz POSJULCROYNULV-PGRDOPGGSA-N 1 0 452.002 4.514 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001443219201 1066282353 /nfs/dbraw/zinc/28/23/53/1066282353.db2.gz SYEWTZMLZXVYFJ-GFCCVEGCSA-N 1 0 452.855 4.639 20 0 JJADRO Cc1cc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)c2ccccc2n1 ZINC001361049787 1066283075 /nfs/dbraw/zinc/28/30/75/1066283075.db2.gz OSIHQCOQJQEYNX-DEOSSOPVSA-N 1 0 464.658 4.783 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCSC(C)(C)C1)[NH+]1CCCC1 ZINC001545955441 1066283626 /nfs/dbraw/zinc/28/36/26/1066283626.db2.gz VEYVPMDOZATNGP-RBUKOAKNSA-N 1 0 461.651 4.763 20 0 JJADRO Cc1cc(-c2nnc(N3CCC(OC(C)C)CC3)n2CCC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001361049820 1066283668 /nfs/dbraw/zinc/28/36/68/1066283668.db2.gz PKFUAIKTWNJNLU-UHFFFAOYSA-N 1 0 464.658 4.926 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001443260622 1066285587 /nfs/dbraw/zinc/28/55/87/1066285587.db2.gz DUZHXZRLQKMVER-AUSIDOKSSA-N 1 0 451.611 4.594 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)C[C@@H]1CC)[NH+]1CCCC1 ZINC001545956341 1066287093 /nfs/dbraw/zinc/28/70/93/1066287093.db2.gz AMSFZNVNEBKSCG-YTQUADARSA-N 1 0 463.468 4.545 20 0 JJADRO Cc1c(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001443265727 1066287333 /nfs/dbraw/zinc/28/73/33/1066287333.db2.gz PHJFDEYXARDADR-MRXNPFEDSA-N 1 0 459.516 4.513 20 0 JJADRO Cc1cc(CN(C)c2nnc(C3(c4ccccc4)CCC3)n2C[C@H](CC(C)C)[NH+](C)C)no1 ZINC001361054021 1066289496 /nfs/dbraw/zinc/28/94/96/1066289496.db2.gz YWPARPGSKRBXRH-QHCPKHFHSA-N 1 0 450.631 4.657 20 0 JJADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC001454478923 1066290015 /nfs/dbraw/zinc/29/00/15/1066290015.db2.gz LSEUUMHKAAAEED-UHFFFAOYSA-N 1 0 453.530 4.546 20 0 JJADRO O=C(N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001454480610 1066290726 /nfs/dbraw/zinc/29/07/26/1066290726.db2.gz QGRWAXUOKHIGPU-PMACEKPBSA-N 1 0 457.348 4.691 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCCC(C)(C)C2)no1 ZINC001361054666 1066290954 /nfs/dbraw/zinc/29/09/54/1066290954.db2.gz ASMJOFBKSARNCT-UHFFFAOYSA-N 1 0 493.475 4.824 20 0 JJADRO Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361055031 1066292599 /nfs/dbraw/zinc/29/25/99/1066292599.db2.gz PFAGHSSGMXMSLA-UHFFFAOYSA-N 1 0 473.463 4.579 20 0 JJADRO Cc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361056070 1066294952 /nfs/dbraw/zinc/29/49/52/1066294952.db2.gz BEDVADRUWSKIKA-BGYRXZFFSA-N 1 0 483.060 4.826 20 0 JJADRO CCC1([NH+](C)C)CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC001454516508 1066294917 /nfs/dbraw/zinc/29/49/17/1066294917.db2.gz XSJCKMMFPKQAQF-GOSISDBHSA-N 1 0 457.537 4.604 20 0 JJADRO CCC1([NH+](C)C)CCN(C(=O)c2ccccc2NC(=O)c2cccc(Br)c2)CC1 ZINC001454513000 1066295350 /nfs/dbraw/zinc/29/53/50/1066295350.db2.gz PZDPJZCFCOKBSV-UHFFFAOYSA-N 1 0 458.400 4.648 20 0 JJADRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)ccc2NC1=O ZINC001361056716 1066297864 /nfs/dbraw/zinc/29/78/64/1066297864.db2.gz AEOSHHQPFPHXHK-UTADQONYSA-N 1 0 463.622 4.768 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccco1)C(C)C)[NH+]1CCCC1 ZINC001545957238 1066297848 /nfs/dbraw/zinc/29/78/48/1066297848.db2.gz SAVIKQGKTWGVLW-IBGZPJMESA-N 1 0 489.462 4.929 20 0 JJADRO Cc1cc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC001361063207 1066302285 /nfs/dbraw/zinc/30/22/85/1066302285.db2.gz GJCNTOKPOAIJLT-ROUUACIJSA-N 1 0 456.660 4.620 20 0 JJADRO Cc1ccc2nc(CSCC(=O)N[C@@H](C[NH+](C)C)c3ccc(Cl)c(Cl)c3)cn2c1 ZINC001454572929 1066302441 /nfs/dbraw/zinc/30/24/41/1066302441.db2.gz BUYPMFLWKITEOO-IBGZPJMESA-N 1 0 451.423 4.602 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)no1 ZINC001361064843 1066304081 /nfs/dbraw/zinc/30/40/81/1066304081.db2.gz UNKNCXMLCIYPDY-DEOSSOPVSA-N 1 0 466.630 4.527 20 0 JJADRO Cc1cccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361066618 1066306170 /nfs/dbraw/zinc/30/61/70/1066306170.db2.gz MLPMTSGCQHIMLB-QFIPXVFZSA-N 1 0 484.689 4.883 20 0 JJADRO CN1CCN([C@@H](CNC(=O)c2cccnc2SCC2CCCCC2)c2cccs2)CC1 ZINC001443436577 1066310662 /nfs/dbraw/zinc/31/06/62/1066310662.db2.gz VDWGINRVAYNGMA-NRFANRHFSA-N 1 0 458.697 4.534 20 0 JJADRO CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)CC1)[NH+]1CCCC1 ZINC001545958573 1066311278 /nfs/dbraw/zinc/31/12/78/1066311278.db2.gz GVXRZQHEPAMHEA-GOSISDBHSA-N 1 0 464.427 4.957 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001545958685 1066312095 /nfs/dbraw/zinc/31/20/95/1066312095.db2.gz JFMRTEGMVCLILW-NSHGMRRFSA-N 1 0 477.600 4.564 20 0 JJADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1ccncc1Br ZINC001454646625 1066314493 /nfs/dbraw/zinc/31/44/93/1066314493.db2.gz NHMQVVKLGQRRHQ-RCZVLFRGSA-N 1 0 464.407 4.550 20 0 JJADRO CN(C)CC[NH+]1CCC(CNC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CC1 ZINC001443459813 1066314401 /nfs/dbraw/zinc/31/44/01/1066314401.db2.gz IVMZSLIQNAZMES-UHFFFAOYSA-N 1 0 450.023 4.634 20 0 JJADRO CC(C)(C)c1ccc(OCc2ccc(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)cc1 ZINC001443475719 1066315849 /nfs/dbraw/zinc/31/58/49/1066315849.db2.gz FCRNCODWHYSRGW-AREMUKBSSA-N 1 0 450.623 4.936 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)OC ZINC001545958883 1066315946 /nfs/dbraw/zinc/31/59/46/1066315946.db2.gz MWPOBJZEBQEHTK-FQEVSTJZSA-N 1 0 493.494 4.553 20 0 JJADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)CC1 ZINC001443501515 1066319573 /nfs/dbraw/zinc/31/95/73/1066319573.db2.gz VZIDABZDZCSFCU-HNNXBMFYSA-N 1 0 453.414 4.528 20 0 JJADRO CCCC[NH+]1CCC(NC(=O)C[C@H](C)CCc2ccc(I)cc2)CC1 ZINC001443533727 1066325309 /nfs/dbraw/zinc/32/53/09/1066325309.db2.gz MYZKPFGSIFYQDP-QGZVFWFLSA-N 1 0 456.412 4.631 20 0 JJADRO CCCC[NH+]1CCC(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 ZINC001443533749 1066325351 /nfs/dbraw/zinc/32/53/51/1066325351.db2.gz MZMDSEWIBULGBC-UHFFFAOYSA-N 1 0 459.516 4.676 20 0 JJADRO C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N(CC[NH+]3CCCC3)Cc3ccc(Cl)cc3)c2N1 ZINC001443538987 1066327077 /nfs/dbraw/zinc/32/70/77/1066327077.db2.gz NHOASHDGCPAZNT-DNVCBOLYSA-N 1 0 469.939 4.582 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)C2)n1CC[N@H+]1CC=CCC1 ZINC001361088103 1066329569 /nfs/dbraw/zinc/32/95/69/1066329569.db2.gz FTNDZOHLLNSJJR-FQEVSTJZSA-N 1 0 458.050 4.750 20 0 JJADRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2ccc(Br)cc2Br)CC1 ZINC001454741046 1066329833 /nfs/dbraw/zinc/32/98/33/1066329833.db2.gz DGMIIKOXAXWSSO-MRXNPFEDSA-N 1 0 458.238 4.938 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001361089000 1066333781 /nfs/dbraw/zinc/33/37/81/1066333781.db2.gz OPHAKLIKNWJTSC-UYAOXDASSA-N 1 0 460.066 4.971 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCO[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001361089166 1066334285 /nfs/dbraw/zinc/33/42/85/1066334285.db2.gz PXULZHLSVITHOE-NRFANRHFSA-N 1 0 490.092 4.741 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001361089008 1066334322 /nfs/dbraw/zinc/33/43/22/1066334322.db2.gz OUHZRMJQNDBGMA-FCEUIQTBSA-N 1 0 490.092 4.597 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001546065923 1066337350 /nfs/dbraw/zinc/33/73/50/1066337350.db2.gz CFJSBPDYUKDZDQ-PWUYWRBVSA-N 1 0 494.728 4.812 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOCC3(CCC3)C2)n1CC[N@@H+](C)C(C)C ZINC001361091049 1066340489 /nfs/dbraw/zinc/34/04/89/1066340489.db2.gz MBTJOQSDKHHGOL-UHFFFAOYSA-N 1 0 490.092 4.599 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC[C@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001361091620 1066341424 /nfs/dbraw/zinc/34/14/24/1066341424.db2.gz ROLAVMFNFAGPOD-OAQYLSRUSA-N 1 0 490.092 4.599 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@@H](C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001361092050 1066342505 /nfs/dbraw/zinc/34/25/05/1066342505.db2.gz YYQMDLKQYQLXEU-NRFANRHFSA-N 1 0 492.133 4.925 20 0 JJADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001443649263 1066344416 /nfs/dbraw/zinc/34/44/16/1066344416.db2.gz WVGPNVUDLQTHME-UHFFFAOYSA-N 1 0 451.611 4.750 20 0 JJADRO CN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001443650535 1066344474 /nfs/dbraw/zinc/34/44/74/1066344474.db2.gz JOVLWRIPUSHFFJ-LOSJGSFVSA-N 1 0 469.670 4.783 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546066711 1066345296 /nfs/dbraw/zinc/34/52/96/1066345296.db2.gz TVEKMCMIIZKOCN-LXFBAYGMSA-N 1 0 499.700 4.724 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+](C)CCCOC)C1 ZINC001546066934 1066345682 /nfs/dbraw/zinc/34/56/82/1066345682.db2.gz XZBFMBKZBRFSEM-JOCHJYFZSA-N 1 0 498.897 4.956 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cccc(CN=S2(=O)CCCC2)c1 ZINC001455051513 1066355861 /nfs/dbraw/zinc/35/58/61/1066355861.db2.gz ZOTXTOYAYASBKS-ILBGXUMGSA-N 1 0 453.652 4.935 20 0 JJADRO COc1ccc(C2CC2)c(NC(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001455079030 1066357838 /nfs/dbraw/zinc/35/78/38/1066357838.db2.gz PWTCYBJNFPMMIF-HSZRJFAPSA-N 1 0 453.583 4.536 20 0 JJADRO Cc1cccc(O[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001361109633 1066358127 /nfs/dbraw/zinc/35/81/27/1066358127.db2.gz CKDCHEIAZCMOGY-QHCPKHFHSA-N 1 0 476.669 4.596 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)cc2F)CC1 ZINC001455084342 1066359070 /nfs/dbraw/zinc/35/90/70/1066359070.db2.gz HIUNJHGMAGIOQI-UHFFFAOYSA-N 1 0 450.436 4.600 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)OC ZINC001545961582 1066361551 /nfs/dbraw/zinc/36/15/51/1066361551.db2.gz YFGHAIVKBJPIML-OAQYLSRUSA-N 1 0 478.479 4.689 20 0 JJADRO Cc1cccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361112066 1066363114 /nfs/dbraw/zinc/36/31/14/1066363114.db2.gz KSEXDJRNSMSGIP-AREMUKBSSA-N 1 0 476.669 4.983 20 0 JJADRO O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001455115700 1066363082 /nfs/dbraw/zinc/36/30/82/1066363082.db2.gz KKRZYTTZFURFEY-SANMLTNESA-N 1 0 457.574 4.878 20 0 JJADRO Cc1ccccc1[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@H](C)C1 ZINC001443761909 1066363426 /nfs/dbraw/zinc/36/34/26/1066363426.db2.gz REZIVFXKHJBBMZ-NIRIFSCTSA-N 1 0 457.659 4.921 20 0 JJADRO Cc1ccccc1[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC001443761913 1066363489 /nfs/dbraw/zinc/36/34/89/1066363489.db2.gz REZIVFXKHJBBMZ-QFZWGZQFSA-N 1 0 457.659 4.921 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001443795092 1066369647 /nfs/dbraw/zinc/36/96/47/1066369647.db2.gz AKJHVGVLCSCSJK-JOCHJYFZSA-N 1 0 452.986 4.836 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](COC(C)C)C1)[NH+]1CCCC1 ZINC001545962452 1066369999 /nfs/dbraw/zinc/36/99/99/1066369999.db2.gz CRWIWLXUZZJYBR-JWQCQUIFSA-N 1 0 483.701 4.747 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1c(C)cc(C)c(Br)c1C ZINC001443809693 1066370691 /nfs/dbraw/zinc/37/06/91/1066370691.db2.gz YJXWNWHROFSPPK-NRFANRHFSA-N 1 0 458.444 4.825 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3nc(C4CCCC4)cs3)c(C(F)(F)F)c2)CC1 ZINC001443809714 1066370788 /nfs/dbraw/zinc/37/07/88/1066370788.db2.gz YNHIOPMZHRRESQ-UHFFFAOYSA-N 1 0 452.546 4.753 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@H+]2CC=CCC2)c1 ZINC001361123587 1066374347 /nfs/dbraw/zinc/37/43/47/1066374347.db2.gz GPNCGMJPGWQHFF-UHFFFAOYSA-N 1 0 498.075 4.574 20 0 JJADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001443851183 1066376190 /nfs/dbraw/zinc/37/61/90/1066376190.db2.gz QDLUBNHMMKPGAH-LBPRGKRZSA-N 1 0 459.743 4.588 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CC(F)(F)C3)n2CC[NH+]2CCCC2)c1 ZINC001361123961 1066376197 /nfs/dbraw/zinc/37/61/97/1066376197.db2.gz RVCPJJFUQPIRHW-UHFFFAOYSA-N 1 0 461.601 4.866 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361124063 1066376717 /nfs/dbraw/zinc/37/67/17/1066376717.db2.gz VUBOOABLBCWTOT-RPWUZVMVSA-N 1 0 483.701 4.882 20 0 JJADRO CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001443876845 1066379962 /nfs/dbraw/zinc/37/99/62/1066379962.db2.gz UHYUKXLVMOUSBR-UHFFFAOYSA-N 1 0 453.970 4.962 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cc(C)on1)[NH+]1CCCC1 ZINC001545963115 1066383470 /nfs/dbraw/zinc/38/34/70/1066383470.db2.gz QAFYLIQNCKJBRZ-FQEVSTJZSA-N 1 0 487.446 4.823 20 0 JJADRO O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001443961635 1066387992 /nfs/dbraw/zinc/38/79/92/1066387992.db2.gz HIYGKGIAVBYOFX-QHCPKHFHSA-N 1 0 451.517 4.799 20 0 JJADRO Cc1nnc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)s1 ZINC001361127790 1066389337 /nfs/dbraw/zinc/38/93/37/1066389337.db2.gz OSLFQEYPJAZTML-UHFFFAOYSA-N 1 0 497.713 4.612 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2C[C@@](C)(O)C(C)C)c1 ZINC001361127872 1066389985 /nfs/dbraw/zinc/38/99/85/1066389985.db2.gz PNNCGRMEPYRDAC-QDPGVEIFSA-N 1 0 483.701 4.761 20 0 JJADRO C[C@@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)C1([NH+]2CCOCC2)CCCC1 ZINC001443991069 1066391854 /nfs/dbraw/zinc/39/18/54/1066391854.db2.gz FVHGDJHCEJGJNM-HXUWFJFHSA-N 1 0 457.014 4.611 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001546072916 1066394845 /nfs/dbraw/zinc/39/48/45/1066394845.db2.gz MNJSRXYQDOJKEY-HHHXNRCGSA-N 1 0 488.721 4.751 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001361130073 1066395186 /nfs/dbraw/zinc/39/51/86/1066395186.db2.gz IIKZYIZOJNIDHK-JOCHJYFZSA-N 1 0 469.674 4.779 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361130806 1066396771 /nfs/dbraw/zinc/39/67/71/1066396771.db2.gz ROCRHPQDNMXUIF-XPWALMASSA-N 1 0 469.674 4.634 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)CCCCC1 ZINC001455495704 1066397588 /nfs/dbraw/zinc/39/75/88/1066397588.db2.gz KTOYZJDLTFVXBC-QFIPXVFZSA-N 1 0 457.659 4.973 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@H]3C)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361131596 1066399992 /nfs/dbraw/zinc/39/99/92/1066399992.db2.gz LUAOXWXCLWQMFP-NHCUHLMSSA-N 1 0 457.688 4.715 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@H]3C)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361131595 1066400095 /nfs/dbraw/zinc/40/00/95/1066400095.db2.gz LUAOXWXCLWQMFP-LEWJYISDSA-N 1 0 457.688 4.715 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001361131787 1066400654 /nfs/dbraw/zinc/40/06/54/1066400654.db2.gz QEIPBTPFGPOSCM-USZFVNFHSA-N 1 0 497.728 4.864 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361132184 1066401673 /nfs/dbraw/zinc/40/16/73/1066401673.db2.gz VHQLZYWCARIFBL-CJFMBICVSA-N 1 0 489.755 4.668 20 0 JJADRO CC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccc(C[NH+]4CCC(O)CC4)cc3)cc2)cc1 ZINC001444090568 1066403905 /nfs/dbraw/zinc/40/39/05/1066403905.db2.gz QOXKEIUSCRZXOU-UHFFFAOYSA-N 1 0 458.558 4.568 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccccn1)[NH+]1CCCC1 ZINC001545964695 1066411839 /nfs/dbraw/zinc/41/18/39/1066411839.db2.gz JAFROFQQTXCNGN-HXUWFJFHSA-N 1 0 455.006 4.513 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CCC(C)(C)C)CC1)OC ZINC001545964748 1066411940 /nfs/dbraw/zinc/41/19/40/1066411940.db2.gz JQPIRARAJVCMJM-GOSISDBHSA-N 1 0 496.469 4.830 20 0 JJADRO Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001361137177 1066412354 /nfs/dbraw/zinc/41/23/54/1066412354.db2.gz YHQWDWDALFIRTH-ILBGXUMGSA-N 1 0 496.700 4.815 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCCOCC2)[NH+](C)C)cc1 ZINC001361137268 1066412374 /nfs/dbraw/zinc/41/23/74/1066412374.db2.gz ZZMBQQSRPWBSJK-SFHVURJKSA-N 1 0 490.471 4.607 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CCC(C)(C)C)CC1)OC ZINC001545964749 1066412499 /nfs/dbraw/zinc/41/24/99/1066412499.db2.gz JQPIRARAJVCMJM-SFHVURJKSA-N 1 0 496.469 4.830 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOC(C)(C)C)[NH+](C)C)cc1 ZINC001361139239 1066414422 /nfs/dbraw/zinc/41/44/22/1066414422.db2.gz GRFOLRIBYIOHCQ-OAQYLSRUSA-N 1 0 471.049 4.856 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N2CCC(OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC001361139370 1066414970 /nfs/dbraw/zinc/41/49/70/1066414970.db2.gz IVEJUACVTUQQGJ-DEOSSOPVSA-N 1 0 462.642 4.735 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccccn3)nnc2N2CCC(OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC001361139371 1066415192 /nfs/dbraw/zinc/41/51/92/1066415192.db2.gz IVEJUACVTUQQGJ-XMMPIXPASA-N 1 0 462.642 4.735 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCCC1 ZINC001545964925 1066415568 /nfs/dbraw/zinc/41/55/68/1066415568.db2.gz MNPSFGCWGJPTGG-QGZVFWFLSA-N 1 0 478.950 4.922 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361139754 1066416413 /nfs/dbraw/zinc/41/64/13/1066416413.db2.gz OSCJFLPFCFWGDA-WNCULLNHSA-N 1 0 462.642 4.593 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361140342 1066417245 /nfs/dbraw/zinc/41/72/45/1066417245.db2.gz YZWYWQCFDBVAFK-VXKWHMMOSA-N 1 0 483.060 4.856 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC001361141662 1066421950 /nfs/dbraw/zinc/42/19/50/1066421950.db2.gz PUJLUXQHQNGLDR-SHQCIBLASA-N 1 0 497.709 4.936 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361142202 1066423367 /nfs/dbraw/zinc/42/33/67/1066423367.db2.gz VLKMXEJAXICGLD-JWQCQUIFSA-N 1 0 494.728 4.753 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001444164940 1066423561 /nfs/dbraw/zinc/42/35/61/1066423561.db2.gz HRVBPHNKINHPQX-MSOLQXFVSA-N 1 0 450.649 4.536 20 0 JJADRO CC(C)(C)c1ncc(/C=C\C(=O)N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC001455716986 1066426776 /nfs/dbraw/zinc/42/67/76/1066426776.db2.gz LTNDHMHBKZEMRF-VFCOFNOGSA-N 1 0 453.652 4.784 20 0 JJADRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C ZINC001444205264 1066429175 /nfs/dbraw/zinc/42/91/75/1066429175.db2.gz KZCHQRFBQZBFBL-UHFFFAOYSA-N 1 0 453.428 4.689 20 0 JJADRO Cc1ccc(Br)nc1C(=O)Nc1ccc(C[N@H+](C)CCOc2ccccc2)cc1 ZINC001455809664 1066435129 /nfs/dbraw/zinc/43/51/29/1066435129.db2.gz FIJUHIYNGQEFOF-UHFFFAOYSA-N 1 0 454.368 4.916 20 0 JJADRO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCCCN2Cc2cccnc2)cc1 ZINC001455812548 1066435825 /nfs/dbraw/zinc/43/58/25/1066435825.db2.gz WTXJSFLCTNMJJN-HHHXNRCGSA-N 1 0 458.606 4.586 20 0 JJADRO Cn1ccc(Nc2ccc(C(=O)Nc3ccc(C[N@H+](C)CCOc4ccccc4)cc3)cc2)n1 ZINC001455812885 1066436771 /nfs/dbraw/zinc/43/67/71/1066436771.db2.gz ZQVJQUJCEIYRRH-UHFFFAOYSA-N 1 0 455.562 4.927 20 0 JJADRO CC(C)c1nc(C(=O)N2CC[N@H+](C)CC23CCCCC3)nn1-c1c(Cl)cccc1Cl ZINC001361150352 1066440682 /nfs/dbraw/zinc/44/06/82/1066440682.db2.gz CLDAAYNZCJKASF-UHFFFAOYSA-N 1 0 450.414 4.788 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001361149775 1066440898 /nfs/dbraw/zinc/44/08/98/1066440898.db2.gz ZVCOOYQXKAXJEU-HSZRJFAPSA-N 1 0 469.674 4.742 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361151311 1066442586 /nfs/dbraw/zinc/44/25/86/1066442586.db2.gz GZWNYUFIIZFKAB-DVKRWUGUSA-N 1 0 483.701 4.844 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC001444292840 1066443891 /nfs/dbraw/zinc/44/38/91/1066443891.db2.gz HGUGYANGLPIGHF-RXVVDRJESA-N 1 0 453.583 4.864 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001361151934 1066444603 /nfs/dbraw/zinc/44/46/03/1066444603.db2.gz GLDWRUZDJGKJDG-DNQXCXABSA-N 1 0 483.701 4.703 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001361153349 1066449123 /nfs/dbraw/zinc/44/91/23/1066449123.db2.gz XZBHOJJWDZQDPB-ZEQRLZLVSA-N 1 0 483.701 4.847 20 0 JJADRO CCc1ccc(CN2CCN(C(=O)c3ccccc3OCC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC001444346088 1066452489 /nfs/dbraw/zinc/45/24/89/1066452489.db2.gz KEERYUCDKMDYEH-OAQYLSRUSA-N 1 0 455.668 4.522 20 0 JJADRO Cc1cc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)ccc1OCC[NH+]1CCCC1 ZINC001444351051 1066453962 /nfs/dbraw/zinc/45/39/62/1066453962.db2.gz NDVPAOVZNVDARY-QFIPXVFZSA-N 1 0 457.615 4.588 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361156305 1066458124 /nfs/dbraw/zinc/45/81/24/1066458124.db2.gz SEWNOJPHAFKQFY-TUACAJSNSA-N 1 0 469.674 4.600 20 0 JJADRO C[C@H](NC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)[C@@H]1C[N@H+](C)CCN1C ZINC001444401641 1066458165 /nfs/dbraw/zinc/45/81/65/1066458165.db2.gz DIPMSLRSKNSSMW-ZRCAFCQKSA-N 1 0 452.451 4.577 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CCSC2(C)C)c1 ZINC001361158937 1066461956 /nfs/dbraw/zinc/46/19/56/1066461956.db2.gz JCOKQJYIHGGELY-JOCHJYFZSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)c1 ZINC001361159232 1066464022 /nfs/dbraw/zinc/46/40/22/1066464022.db2.gz SXPAOIOWPQIODV-UKILVPOCSA-N 1 0 483.701 4.990 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC1CC1)[NH+]1CCCC1 ZINC001545967387 1066464435 /nfs/dbraw/zinc/46/44/35/1066464435.db2.gz WPKBQYXEPAOWLQ-LJQANCHMSA-N 1 0 476.463 4.827 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCO[C@H]2CCCC[C@@H]2C)c1 ZINC001361159928 1066465692 /nfs/dbraw/zinc/46/56/92/1066465692.db2.gz OMVFVBMOFLRIOU-UPVQGACJSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCO[C@H]2CCCC[C@H]2C)c1 ZINC001361159929 1066465705 /nfs/dbraw/zinc/46/57/05/1066465705.db2.gz OMVFVBMOFLRIOU-VWNXMTODSA-N 1 0 469.674 4.600 20 0 JJADRO COc1cc(CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(SC)cc1OC ZINC001444490632 1066466880 /nfs/dbraw/zinc/46/68/80/1066466880.db2.gz SGTJFHLITMTBHI-NRFANRHFSA-N 1 0 454.636 4.686 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2CCCC(C)(C)C)c1 ZINC001361162289 1066469572 /nfs/dbraw/zinc/46/95/72/1066469572.db2.gz MQJYXCUYTYLAMF-UHFFFAOYSA-N 1 0 483.701 4.849 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001361162400 1066470126 /nfs/dbraw/zinc/47/01/26/1066470126.db2.gz BFKXXJGWWMNVBC-GMAHTHKFSA-N 1 0 471.715 4.928 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001361163115 1066472033 /nfs/dbraw/zinc/47/20/33/1066472033.db2.gz VEMFMNILWMVDAJ-RUZDIDTESA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361163391 1066472735 /nfs/dbraw/zinc/47/27/35/1066472735.db2.gz XOLXRYRXCWYASI-ZCYQVOJMSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSCC3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361164020 1066474047 /nfs/dbraw/zinc/47/40/47/1066474047.db2.gz SWLRCZGJCZNHDJ-JOCHJYFZSA-N 1 0 457.688 4.538 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001361164062 1066474737 /nfs/dbraw/zinc/47/47/37/1066474737.db2.gz UIBRTNWLSGTKIR-FPOVZHCZSA-N 1 0 471.696 4.780 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001361164063 1066474920 /nfs/dbraw/zinc/47/49/20/1066474920.db2.gz UIBRTNWLSGTKIR-PZJWPPBQSA-N 1 0 471.696 4.780 20 0 JJADRO Cc1ccc([C@@]2(O)CCN(c3nnc(C(C)C)n3CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC001361166456 1066477746 /nfs/dbraw/zinc/47/77/46/1066477746.db2.gz VCLBVCDSDZKTQH-QSEAXJEQSA-N 1 0 453.675 4.566 20 0 JJADRO Cc1ccc(-c2nc(CCn3c(CC(C)(C)C)nnc3N3CCC[N@@H+](C(C)C)CC3)co2)cc1 ZINC001361167122 1066480016 /nfs/dbraw/zinc/48/00/16/1066480016.db2.gz HSPUFTZTCMTPBK-UHFFFAOYSA-N 1 0 464.658 4.993 20 0 JJADRO Cc1ccc([C@@]2(O)CCN(c3nnc(CC4CCCC4)n3CC[NH+](C(C)C)C(C)C)C2)cc1 ZINC001361167415 1066480600 /nfs/dbraw/zinc/48/06/00/1066480600.db2.gz PGSIIDSBUYSSOL-HHHXNRCGSA-N 1 0 453.675 4.536 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C[C@@H]1C ZINC001444614206 1066483684 /nfs/dbraw/zinc/48/36/84/1066483684.db2.gz INYKWMMYXQMONO-WDEREUQCSA-N 1 0 455.167 4.543 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC001361169717 1066484110 /nfs/dbraw/zinc/48/41/10/1066484110.db2.gz JIZAVPSEYRUFOX-VXKWHMMOSA-N 1 0 451.615 4.853 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361171516 1066488008 /nfs/dbraw/zinc/48/80/08/1066488008.db2.gz VSRNTKQBICGYLU-GMAHTHKFSA-N 1 0 451.615 4.709 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCC[N@H+]2CCCC[C@H]2C)cc1Br ZINC001361174468 1066491199 /nfs/dbraw/zinc/49/11/99/1066491199.db2.gz RRNFLDDTUJKDFI-UYAOXDASSA-N 1 0 476.463 4.506 20 0 JJADRO COC(=O)C[C@H](NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444692830 1066493958 /nfs/dbraw/zinc/49/39/58/1066493958.db2.gz XJOHLXKIRQQWPR-ZCYQVOJMSA-N 1 0 450.623 4.659 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[N@@H+](C2CCCC2)CC1)OC ZINC001545968734 1066495789 /nfs/dbraw/zinc/49/57/89/1066495789.db2.gz KQTGUDOYUSYSIL-IBGZPJMESA-N 1 0 476.463 4.587 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001456058384 1066498004 /nfs/dbraw/zinc/49/80/04/1066498004.db2.gz PWAZOIVKSAVGPN-HXUWFJFHSA-N 1 0 454.439 4.705 20 0 JJADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(Br)cc1OC(C)C ZINC001361178507 1066498923 /nfs/dbraw/zinc/49/89/23/1066498923.db2.gz FVOHIUPVXUUXTE-UHFFFAOYSA-N 1 0 453.343 4.973 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361178744 1066499586 /nfs/dbraw/zinc/49/95/86/1066499586.db2.gz RFCBGZXEBWEDHD-OALUTQOASA-N 1 0 458.006 4.636 20 0 JJADRO CC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccccc3C[NH+]3CCC(O)CC3)cc2)cc1 ZINC001444744104 1066500580 /nfs/dbraw/zinc/50/05/80/1066500580.db2.gz KKAXEBLMKRQLNN-UHFFFAOYSA-N 1 0 458.558 4.568 20 0 JJADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)COc1ccc(Br)cc1Cl ZINC001361179537 1066500740 /nfs/dbraw/zinc/50/07/40/1066500740.db2.gz XZXADMGERGMDKE-UHFFFAOYSA-N 1 0 459.734 4.604 20 0 JJADRO COCCOc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c(Cl)c1 ZINC001456070617 1066502260 /nfs/dbraw/zinc/50/22/60/1066502260.db2.gz DOXBPWPRBNWDFU-UHFFFAOYSA-N 1 0 451.394 4.757 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccco1)[NH+]1CCCC1 ZINC001545969202 1066504707 /nfs/dbraw/zinc/50/47/07/1066504707.db2.gz SYZWOXTXSZKLFP-KRWDZBQOSA-N 1 0 458.404 4.811 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC(F)F)n2CC[N@H+](C)C2CCCC2)cc1Br ZINC001361184394 1066507072 /nfs/dbraw/zinc/50/70/72/1066507072.db2.gz IWTNUECMMDXYLB-UHFFFAOYSA-N 1 0 470.406 4.982 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001361184529 1066507716 /nfs/dbraw/zinc/50/77/16/1066507716.db2.gz MFRUCJMCLYQBQK-ICSRJNTNSA-N 1 0 476.463 4.506 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079357 1066508395 /nfs/dbraw/zinc/50/83/95/1066508395.db2.gz KMQKHMZDGMUPBD-YZIHRLCOSA-N 1 0 487.714 4.705 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001546079646 1066513747 /nfs/dbraw/zinc/51/37/47/1066513747.db2.gz QSIFNFZZIIIQCM-AZSVPQILSA-N 1 0 453.675 4.933 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361190275 1066515503 /nfs/dbraw/zinc/51/55/03/1066515503.db2.gz HJDCAEZSEYRFNZ-LEWJYISDSA-N 1 0 451.615 4.620 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361190279 1066515575 /nfs/dbraw/zinc/51/55/75/1066515575.db2.gz HJDCAEZSEYRFNZ-RTWAWAEBSA-N 1 0 451.615 4.620 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361190281 1066515762 /nfs/dbraw/zinc/51/57/62/1066515762.db2.gz HJDCAEZSEYRFNZ-SFTDATJTSA-N 1 0 451.615 4.620 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3C)n2CCC[N@H+]2CCCC[C@@H]2C)o1 ZINC001361190836 1066516050 /nfs/dbraw/zinc/51/60/50/1066516050.db2.gz VAEOSSQDHKVSTG-NRFANRHFSA-N 1 0 451.615 4.935 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001546079878 1066518185 /nfs/dbraw/zinc/51/81/85/1066518185.db2.gz VYWHLBJROQFIOZ-LOSJGSFVSA-N 1 0 457.688 4.538 20 0 JJADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001444919588 1066518173 /nfs/dbraw/zinc/51/81/73/1066518173.db2.gz IEMFVMZMNHGKKW-XMMPIXPASA-N 1 0 459.993 4.602 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC1 ZINC001444923409 1066518339 /nfs/dbraw/zinc/51/83/39/1066518339.db2.gz IBUWIURONINDFH-UHFFFAOYSA-N 1 0 456.030 4.739 20 0 JJADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H](Sc3ccc(F)c(F)c3)c3ccccc3)CC2)c1 ZINC001456139035 1066519184 /nfs/dbraw/zinc/51/91/84/1066519184.db2.gz CTAYMUUTCRPSSA-HSZRJFAPSA-N 1 0 455.530 4.551 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC1 ZINC001444934499 1066519470 /nfs/dbraw/zinc/51/94/70/1066519470.db2.gz WMZFBBZOQIRZDL-UHFFFAOYSA-N 1 0 456.512 4.687 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545970507 1066520923 /nfs/dbraw/zinc/52/09/23/1066520923.db2.gz FYVJOFIQBPGKCM-SFHVURJKSA-N 1 0 491.080 4.822 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCCC2)C1 ZINC001546079376 1066523487 /nfs/dbraw/zinc/52/34/87/1066523487.db2.gz LBXZFTDDFUQVGQ-UZINWLIJSA-N 1 0 474.694 4.551 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361197179 1066525348 /nfs/dbraw/zinc/52/53/48/1066525348.db2.gz YFWJMMHCUKDAMH-QGZVFWFLSA-N 1 0 476.463 4.504 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361197177 1066525393 /nfs/dbraw/zinc/52/53/93/1066525393.db2.gz YFWJMMHCUKDAMH-KRWDZBQOSA-N 1 0 476.463 4.504 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCCOCC(C)C)cc1Br ZINC001361198183 1066526781 /nfs/dbraw/zinc/52/67/81/1066526781.db2.gz LAFRHOLXPXODGJ-TZIWHRDSSA-N 1 0 490.490 4.752 20 0 JJADRO C[N@@H+]1C[C@@H](NC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)C(C)(C)C1 ZINC001456173168 1066528507 /nfs/dbraw/zinc/52/85/07/1066528507.db2.gz GQIXJQCHECTJTE-OAQYLSRUSA-N 1 0 454.412 4.986 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H]2C)o1 ZINC001361199997 1066529564 /nfs/dbraw/zinc/52/95/64/1066529564.db2.gz KZRZECXGWSMGPH-ZDUSSCGKSA-N 1 0 465.442 4.652 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001361201877 1066531890 /nfs/dbraw/zinc/53/18/90/1066531890.db2.gz JGTLGERFRRNDQE-FFGOWVMKSA-N 1 0 490.490 4.750 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1)c1ccc(Cl)cc1 ZINC001445097531 1066539601 /nfs/dbraw/zinc/53/96/01/1066539601.db2.gz YGAWXWXXTSIVEC-JOCHJYFZSA-N 1 0 458.002 4.546 20 0 JJADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546080821 1066540881 /nfs/dbraw/zinc/54/08/81/1066540881.db2.gz BXMMXCRQFJSGGI-QDPGVEIFSA-N 1 0 496.700 4.521 20 0 JJADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546080820 1066540902 /nfs/dbraw/zinc/54/09/02/1066540902.db2.gz BXMMXCRQFJSGGI-NEKDWFFYSA-N 1 0 496.700 4.521 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC001361208562 1066541249 /nfs/dbraw/zinc/54/12/49/1066541249.db2.gz BHSUSDJMWILTEJ-PMACEKPBSA-N 1 0 457.663 4.997 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001361209407 1066542720 /nfs/dbraw/zinc/54/27/20/1066542720.db2.gz WKAVXOUOEBTOPS-VXKWHMMOSA-N 1 0 455.578 4.540 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](C)C3)n2CC[NH+]2CCC(C)CC2)cc1Br ZINC001361212149 1066546538 /nfs/dbraw/zinc/54/65/38/1066546538.db2.gz IBPOPFJBRORECM-GOSISDBHSA-N 1 0 460.464 4.984 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1nc(NCc2ccco2)ncc1Cl ZINC001456257876 1066548358 /nfs/dbraw/zinc/54/83/58/1066548358.db2.gz UDUWHROHHUITAR-UHFFFAOYSA-N 1 0 453.974 4.641 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001456259395 1066548404 /nfs/dbraw/zinc/54/84/04/1066548404.db2.gz WWTDKUUJILNITB-KRWDZBQOSA-N 1 0 450.549 4.858 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCC[NH+]2CCCC2)o1 ZINC001361214562 1066550750 /nfs/dbraw/zinc/55/07/50/1066550750.db2.gz RPRQTQMOJNFCRC-OAQYLSRUSA-N 1 0 486.661 4.606 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCNc2ccc(C(F)(F)F)cn2)o1 ZINC001361218216 1066554591 /nfs/dbraw/zinc/55/45/91/1066554591.db2.gz PXZOZHGSAQCJHA-UHFFFAOYSA-N 1 0 491.562 4.683 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCCCCO)cc1Br ZINC001361218951 1066555770 /nfs/dbraw/zinc/55/57/70/1066555770.db2.gz YADXUAMYNCGGMS-UHFFFAOYSA-N 1 0 492.506 4.879 20 0 JJADRO COc1cc(C)c(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1OC ZINC001361220452 1066557195 /nfs/dbraw/zinc/55/71/95/1066557195.db2.gz QSACNWHPXATHQY-IBGZPJMESA-N 1 0 450.501 4.539 20 0 JJADRO COc1ccc2cc(C(=O)N(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC(F)(F)F)cnc2c1 ZINC001361220292 1066557461 /nfs/dbraw/zinc/55/74/61/1066557461.db2.gz LTCLGPHKBBVIEF-LJQANCHMSA-N 1 0 457.496 4.770 20 0 JJADRO CC(C)Oc1cc(Br)ccc1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001456300329 1066557941 /nfs/dbraw/zinc/55/79/41/1066557941.db2.gz DPNSBLJZKCALHM-UHFFFAOYSA-N 1 0 455.462 4.718 20 0 JJADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001456303643 1066558909 /nfs/dbraw/zinc/55/89/09/1066558909.db2.gz MOFMHALOBRYBAO-UHFFFAOYSA-N 1 0 456.574 4.875 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCOCCC(C)C)cc1Br ZINC001361221086 1066559445 /nfs/dbraw/zinc/55/94/45/1066559445.db2.gz NELVFJUSNZEDCO-UHFFFAOYSA-N 1 0 492.506 4.999 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CC2(C)C)cc1Br ZINC001361221150 1066559550 /nfs/dbraw/zinc/55/95/50/1066559550.db2.gz PGWXMUTTZCBCKP-GOSISDBHSA-N 1 0 460.464 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC001361221355 1066560086 /nfs/dbraw/zinc/56/00/86/1066560086.db2.gz WORACSWVFFXTKW-OALUTQOASA-N 1 0 490.490 4.750 20 0 JJADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cccnc1SCc1ccc(F)cc1 ZINC001456308764 1066560236 /nfs/dbraw/zinc/56/02/36/1066560236.db2.gz WXISISJSQOMSBL-UHFFFAOYSA-N 1 0 459.656 4.995 20 0 JJADRO C[C@H]1C[NH+](CCCCNC(=O)C2(c3ccccc3Br)CCCCC2)C[C@H](C)O1 ZINC001445345683 1066560453 /nfs/dbraw/zinc/56/04/53/1066560453.db2.gz JARJGNNZMGTRKB-OALUTQOASA-N 1 0 451.449 4.657 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CC2(C)C)cc1Br ZINC001361224132 1066562372 /nfs/dbraw/zinc/56/23/72/1066562372.db2.gz KENZRVSGBNSPBI-IBGZPJMESA-N 1 0 460.464 4.840 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)o1 ZINC001361224280 1066562484 /nfs/dbraw/zinc/56/24/84/1066562484.db2.gz OGVKFESUUNVWRS-LJQANCHMSA-N 1 0 458.006 4.745 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2cc(COC(C)(C)C)on2)o1 ZINC001361225651 1066564064 /nfs/dbraw/zinc/56/40/64/1066564064.db2.gz IWLGWJQOYPWQGB-UHFFFAOYSA-N 1 0 484.645 4.756 20 0 JJADRO CSc1cccc(N(C(=O)c2nnn(-c3ccccc3)c2C(F)F)C2CC[NH+](C)CC2)c1 ZINC001456334688 1066564401 /nfs/dbraw/zinc/56/44/01/1066564401.db2.gz HQINPGIRCWWYMT-UHFFFAOYSA-N 1 0 457.550 4.668 20 0 JJADRO CSc1cccc(N(C(=O)c2cc(N3CCCC3=O)ccc2Cl)C2CC[NH+](C)CC2)c1 ZINC001456339027 1066565324 /nfs/dbraw/zinc/56/53/24/1066565324.db2.gz NINWGOCAICWSGN-UHFFFAOYSA-N 1 0 458.027 4.930 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)cc1Br ZINC001361227576 1066566168 /nfs/dbraw/zinc/56/61/68/1066566168.db2.gz QGDKCBJBBJFZFG-NRFANRHFSA-N 1 0 492.506 4.998 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1Br ZINC001361227778 1066566601 /nfs/dbraw/zinc/56/66/01/1066566601.db2.gz VKCDUJVCNGINDI-GOSISDBHSA-N 1 0 476.463 4.506 20 0 JJADRO Cc1ccc(-c2nnc(N3CCOC4(CCCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1Br ZINC001361228511 1066567115 /nfs/dbraw/zinc/56/71/15/1066567115.db2.gz ANXYCYOGEBWEQP-UHFFFAOYSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N3CCOC4(CCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1Br ZINC001361229057 1066568043 /nfs/dbraw/zinc/56/80/43/1066568043.db2.gz LTPFURVXKUQBBY-HXUWFJFHSA-N 1 0 490.490 4.752 20 0 JJADRO Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2C[C@H](c2cccs2)[NH+](C)C)cc1Br ZINC001361229338 1066568684 /nfs/dbraw/zinc/56/86/84/1066568684.db2.gz PZBTZKQIIKKRHP-VQIMIIECSA-N 1 0 490.471 4.606 20 0 JJADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 ZINC001456360406 1066570378 /nfs/dbraw/zinc/57/03/78/1066570378.db2.gz VGGWJUPVDVCIOI-UHFFFAOYSA-N 1 0 454.880 4.827 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001361232630 1066573362 /nfs/dbraw/zinc/57/33/62/1066573362.db2.gz RKTZUZFYGFFPRK-AUSIDOKSSA-N 1 0 455.578 4.682 20 0 JJADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC001445461847 1066573667 /nfs/dbraw/zinc/57/36/67/1066573667.db2.gz NVEQAHHCLVYTMC-HXUWFJFHSA-N 1 0 453.465 4.660 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001445516170 1066579846 /nfs/dbraw/zinc/57/98/46/1066579846.db2.gz NDBVQUPIUQNZMO-PABCKOPISA-N 1 0 459.675 4.931 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361238924 1066580427 /nfs/dbraw/zinc/58/04/27/1066580427.db2.gz YYZRPNGOGNJFKE-GGAORHGYSA-N 1 0 499.681 4.568 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361238929 1066580827 /nfs/dbraw/zinc/58/08/27/1066580827.db2.gz YYZRPNGOGNJFKE-JTHBVZDNSA-N 1 0 499.681 4.568 20 0 JJADRO O=C(NCCCCC[NH+]1CCCCC1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC001456412981 1066580799 /nfs/dbraw/zinc/58/07/99/1066580799.db2.gz MZOQXRWEVSVZIO-UHFFFAOYSA-N 1 0 459.432 4.510 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)C1 ZINC001456424266 1066581859 /nfs/dbraw/zinc/58/18/59/1066581859.db2.gz CJWPZDUABSHPBN-VWLOTQADSA-N 1 0 456.537 4.961 20 0 JJADRO Cc1csc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1I ZINC001456439324 1066586508 /nfs/dbraw/zinc/58/65/08/1066586508.db2.gz GYPMFHRDVYFLPP-CQSZACIVSA-N 1 0 454.377 4.617 20 0 JJADRO O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001445631106 1066596306 /nfs/dbraw/zinc/59/63/06/1066596306.db2.gz NZMKTHOWVGQTMN-OAQYLSRUSA-N 1 0 450.411 4.748 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCOCC2)s1 ZINC001361251222 1066598404 /nfs/dbraw/zinc/59/84/04/1066598404.db2.gz JQRDIJOYBWWRTH-KRWDZBQOSA-N 1 0 460.047 4.573 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[NH+](C(C)C)C(C)C)o1 ZINC001361251240 1066598808 /nfs/dbraw/zinc/59/88/08/1066598808.db2.gz KINOELBNQITHBO-UHFFFAOYSA-N 1 0 467.614 4.763 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2CC[N@H+]2CC=CCC2)s1 ZINC001361251412 1066598867 /nfs/dbraw/zinc/59/88/67/1066598867.db2.gz QXMZLTLXFWTRMM-UHFFFAOYSA-N 1 0 472.456 4.976 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@@H+](C)C(C)C)s1 ZINC001361252629 1066599982 /nfs/dbraw/zinc/59/99/82/1066599982.db2.gz OYOYRRWLAWKMRX-UHFFFAOYSA-N 1 0 463.655 4.573 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC001361252954 1066600499 /nfs/dbraw/zinc/60/04/99/1066600499.db2.gz MDPDQHAWBUSNBB-UHFFFAOYSA-N 1 0 450.970 4.805 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512569 1066607651 /nfs/dbraw/zinc/60/76/51/1066607651.db2.gz XOQKWAQVDQHRTF-NZQKXSOJSA-N 1 0 456.428 4.507 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)[NH+](C)C)s1 ZINC001361259117 1066609812 /nfs/dbraw/zinc/60/98/12/1066609812.db2.gz QQRVGXZWFMQHOV-HXUWFJFHSA-N 1 0 452.653 4.635 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)[NH+](C)C)s1 ZINC001361259116 1066609826 /nfs/dbraw/zinc/60/98/26/1066609826.db2.gz QQRVGXZWFMQHOV-FQEVSTJZSA-N 1 0 452.653 4.635 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001361261292 1066612951 /nfs/dbraw/zinc/61/29/51/1066612951.db2.gz OEIZMMNYNUHFGE-QFIPXVFZSA-N 1 0 455.578 4.654 20 0 JJADRO Cc1cccc(-n2ncc(C(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)c1 ZINC001456544602 1066620553 /nfs/dbraw/zinc/62/05/53/1066620553.db2.gz CFZZPOZEOYNEGB-IBGZPJMESA-N 1 0 456.512 4.936 20 0 JJADRO Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC([NH2+]C(C)C)CC2)c(F)c1 ZINC001361268334 1066621388 /nfs/dbraw/zinc/62/13/88/1066621388.db2.gz JTYLZCSOHQKOMW-UHFFFAOYSA-N 1 0 489.437 4.509 20 0 JJADRO Cc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)C)CC2)s1 ZINC001361268255 1066621406 /nfs/dbraw/zinc/62/14/06/1066621406.db2.gz RMIZDOHXWOYYQZ-NRFANRHFSA-N 1 0 453.656 4.984 20 0 JJADRO O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001456551542 1066622975 /nfs/dbraw/zinc/62/29/75/1066622975.db2.gz BPPMKGQOGVWZRB-XMMPIXPASA-N 1 0 455.643 4.730 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001456553937 1066623658 /nfs/dbraw/zinc/62/36/58/1066623658.db2.gz QQSQWQONPIFDEH-XMSQKQJNSA-N 1 0 452.986 4.834 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001456553921 1066623930 /nfs/dbraw/zinc/62/39/30/1066623930.db2.gz QQSQWQONPIFDEH-GCJKJVERSA-N 1 0 452.986 4.834 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001546083353 1066627891 /nfs/dbraw/zinc/62/78/91/1066627891.db2.gz MJRVHVSKAGJMTC-HFZDXXHNSA-N 1 0 473.637 4.685 20 0 JJADRO O=C(Nc1cc(F)ccc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccoc1 ZINC001445903385 1066632493 /nfs/dbraw/zinc/63/24/93/1066632493.db2.gz YEQHBOYWWBPMQC-UHFFFAOYSA-N 1 0 451.498 4.788 20 0 JJADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001361276594 1066634053 /nfs/dbraw/zinc/63/40/53/1066634053.db2.gz DVOLZQDZZHFVRX-KPQWGBOZSA-N 1 0 451.449 4.558 20 0 JJADRO CCc1nc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001361276847 1066634142 /nfs/dbraw/zinc/63/41/42/1066634142.db2.gz KOHVJUQQGQFFHY-UHFFFAOYSA-N 1 0 450.414 4.663 20 0 JJADRO Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492598513 1066647844 /nfs/dbraw/zinc/64/78/44/1066647844.db2.gz NSVPQUWSTASDGZ-TZRRMPRUSA-N 1 0 483.701 4.578 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492601192 1066655122 /nfs/dbraw/zinc/65/51/22/1066655122.db2.gz YWUXKIAYZWIKLR-QFIPXVFZSA-N 1 0 462.623 4.528 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCCO2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492602551 1066658254 /nfs/dbraw/zinc/65/82/54/1066658254.db2.gz UVHCERJSPMOPEZ-FBLLAGFSSA-N 1 0 469.674 4.711 20 0 JJADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001446094369 1066658890 /nfs/dbraw/zinc/65/88/90/1066658890.db2.gz DRXUOPVUMRMJAW-SJORKVTESA-N 1 0 454.423 4.615 20 0 JJADRO Cc1cccnc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001492604777 1066661342 /nfs/dbraw/zinc/66/13/42/1066661342.db2.gz FILZNKBWNDGIEF-UHFFFAOYSA-N 1 0 462.642 4.652 20 0 JJADRO Cc1cccnc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001492606302 1066663724 /nfs/dbraw/zinc/66/37/24/1066663724.db2.gz AWLPQTSQAUVEJO-UHFFFAOYSA-N 1 0 453.034 4.585 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(C(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)CC2)c1 ZINC001492607455 1066666409 /nfs/dbraw/zinc/66/64/09/1066666409.db2.gz QFOUVNROCMNRMJ-HSZRJFAPSA-N 1 0 454.663 4.663 20 0 JJADRO CN(CCC(=O)OC(C)(C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001446149615 1066666654 /nfs/dbraw/zinc/66/66/54/1066666654.db2.gz PSKPVEOFQWFFBP-XZOQPEGZSA-N 1 0 457.014 4.746 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(CC(C)C)n3CCC[N@H+](C)C3CCCCC3)CC2)c1 ZINC001492607895 1066667762 /nfs/dbraw/zinc/66/77/62/1066667762.db2.gz JGLIVQFTGXBBGI-UHFFFAOYSA-N 1 0 468.690 4.882 20 0 JJADRO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001446175917 1066668846 /nfs/dbraw/zinc/66/88/46/1066668846.db2.gz PSANRLBVSSLUFI-ZWKOTPCHSA-N 1 0 454.412 4.834 20 0 JJADRO CC1=CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001492608577 1066669044 /nfs/dbraw/zinc/66/90/44/1066669044.db2.gz DMXNGJUVHLWSNC-LJQANCHMSA-N 1 0 474.378 4.899 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC=C(C)C3)n2CC[NH+]2CCC(C)CC2)cc1Br ZINC001492608724 1066669851 /nfs/dbraw/zinc/66/98/51/1066669851.db2.gz GJINOONBEXYKKH-UHFFFAOYSA-N 1 0 458.448 4.904 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC001456707755 1066671453 /nfs/dbraw/zinc/67/14/53/1066671453.db2.gz UFRKRMOMVZNQHM-KKSFZXQISA-N 1 0 458.400 4.504 20 0 JJADRO CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)NC(=O)OC(C)(C)C ZINC001545983185 1066675732 /nfs/dbraw/zinc/67/57/32/1066675732.db2.gz YKACWYRHGGMCIR-JAXLGGSGSA-N 1 0 474.694 4.550 20 0 JJADRO CC[C@H](Cn1c(C2CC2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982713 1066675762 /nfs/dbraw/zinc/67/57/62/1066675762.db2.gz QEBWKFFRIGCEOC-NFBKMPQASA-N 1 0 482.673 4.560 20 0 JJADRO Cc1ccc(OCc2nnc(N3CCC=C(C)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1C ZINC001492613513 1066676165 /nfs/dbraw/zinc/67/61/65/1066676165.db2.gz XGKMWWHWUVMXHE-JOCHJYFZSA-N 1 0 451.640 4.995 20 0 JJADRO CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001492613705 1066677020 /nfs/dbraw/zinc/67/70/20/1066677020.db2.gz GAYKDSOJQBELAS-ACIOBRDBSA-N 1 0 486.705 4.717 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456737074 1066678309 /nfs/dbraw/zinc/67/83/09/1066678309.db2.gz OOEGNEKKBKLHDJ-RPWUZVMVSA-N 1 0 457.659 4.784 20 0 JJADRO CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001492614154 1066678400 /nfs/dbraw/zinc/67/84/00/1066678400.db2.gz WFNJUHVDTNEJOU-LJQANCHMSA-N 1 0 494.467 4.821 20 0 JJADRO O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001446243840 1066678772 /nfs/dbraw/zinc/67/87/72/1066678772.db2.gz CQWXKDUHJOPWIX-AREMUKBSSA-N 1 0 457.574 4.530 20 0 JJADRO CC1=CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001492614993 1066679716 /nfs/dbraw/zinc/67/97/16/1066679716.db2.gz WMZOYQJHPLNIHV-FGZHOGPDSA-N 1 0 499.103 4.776 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC001446259329 1066680402 /nfs/dbraw/zinc/68/04/02/1066680402.db2.gz NQSIOBQCUVCEAC-PKBBIFGXSA-N 1 0 455.643 4.607 20 0 JJADRO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC001456769970 1066684494 /nfs/dbraw/zinc/68/44/94/1066684494.db2.gz IRYGEFCEVLTZJL-CJFMBICVSA-N 1 0 453.608 4.674 20 0 JJADRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1OCc1cscn1 ZINC001456771736 1066686128 /nfs/dbraw/zinc/68/61/28/1066686128.db2.gz OHCQZPKORCJOAR-VGSWGCGISA-N 1 0 457.621 4.605 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)[C@H]1c1cccs1 ZINC001456775062 1066687942 /nfs/dbraw/zinc/68/79/42/1066687942.db2.gz YJVLFRTWHYVGQB-LIRRHRJNSA-N 1 0 451.405 4.881 20 0 JJADRO CC1=CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001492619713 1066688209 /nfs/dbraw/zinc/68/82/09/1066688209.db2.gz HCRPOZXKHOJLHD-NHCUHLMSSA-N 1 0 455.622 4.909 20 0 JJADRO CC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001492620136 1066689348 /nfs/dbraw/zinc/68/93/48/1066689348.db2.gz XFSMXNBGUDCZKZ-QFIPXVFZSA-N 1 0 472.678 4.771 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCC[NH+](C(C)C)C(C)C)C2)c1 ZINC001492622389 1066693445 /nfs/dbraw/zinc/69/34/45/1066693445.db2.gz NOMPADSRHBLCFU-DEOSSOPVSA-N 1 0 481.664 4.863 20 0 JJADRO Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3CCC[N@H+](C)C3CCCCC3)CC2)c1 ZINC001492622403 1066694282 /nfs/dbraw/zinc/69/42/82/1066694282.db2.gz MGZLUELGTKSJKA-UHFFFAOYSA-N 1 0 455.695 4.553 20 0 JJADRO Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001492622837 1066694706 /nfs/dbraw/zinc/69/47/06/1066694706.db2.gz STZPVVBIYIPCMJ-QFIPXVFZSA-N 1 0 455.695 4.652 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)CC1 ZINC001446357821 1066695539 /nfs/dbraw/zinc/69/55/39/1066695539.db2.gz XRLLOWQBWDQPSW-UHFFFAOYSA-N 1 0 457.684 4.988 20 0 JJADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC001456816218 1066700033 /nfs/dbraw/zinc/70/00/33/1066700033.db2.gz FCMFQHIBFUFXHU-VQTJNVASSA-N 1 0 453.974 4.713 20 0 JJADRO Cc1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001446511291 1066712857 /nfs/dbraw/zinc/71/28/57/1066712857.db2.gz GAERGLVYEVNBPQ-KRWDZBQOSA-N 1 0 457.500 4.550 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC001492633468 1066715032 /nfs/dbraw/zinc/71/50/32/1066715032.db2.gz ZXCJXKNTJRDHNH-ROUUACIJSA-N 1 0 474.719 4.612 20 0 JJADRO C[C@H](C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001456892519 1066715831 /nfs/dbraw/zinc/71/58/31/1066715831.db2.gz YLSYVEAGVQKBCJ-QPPBQGQZSA-N 1 0 457.659 4.626 20 0 JJADRO C[C@H](C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001456892529 1066715922 /nfs/dbraw/zinc/71/59/22/1066715922.db2.gz YLSYVEAGVQKBCJ-ZJSXRUAMSA-N 1 0 457.659 4.626 20 0 JJADRO Cc1csc([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001492637289 1066723057 /nfs/dbraw/zinc/72/30/57/1066723057.db2.gz OHQUJZARQSSKRM-INIZCTEOSA-N 1 0 476.597 4.646 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC001545987841 1066727295 /nfs/dbraw/zinc/72/72/95/1066727295.db2.gz XLSIXIGWWDQLGI-TZIWHRDSSA-N 1 0 465.564 4.702 20 0 JJADRO Cc1csc([C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC[N@@H+](C)C(C)C)CCO2)n1 ZINC001492641516 1066734319 /nfs/dbraw/zinc/73/43/19/1066734319.db2.gz MACWQPIRJGRKPJ-QFIPXVFZSA-N 1 0 482.698 4.926 20 0 JJADRO Cc1csc([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CCC[N@@H+](C)C(C)C)CCO2)n1 ZINC001492641600 1066734823 /nfs/dbraw/zinc/73/48/23/1066734823.db2.gz MVCAJGLQQYHVHN-FQEVSTJZSA-N 1 0 475.062 4.672 20 0 JJADRO O=C(CCCOc1ccccc1F)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456980266 1066734872 /nfs/dbraw/zinc/73/48/72/1066734872.db2.gz CYPPYBCOAXYVNV-HXUWFJFHSA-N 1 0 452.492 4.898 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)C2)n1 ZINC001492641948 1066735307 /nfs/dbraw/zinc/73/53/07/1066735307.db2.gz KWSWWFDQOLMNPK-HXUWFJFHSA-N 1 0 470.662 4.996 20 0 JJADRO Cc1csc(CCCCn2c(Cc3csc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC001492643586 1066739713 /nfs/dbraw/zinc/73/97/13/1066739713.db2.gz NEWTVKSOLJLBHC-UHFFFAOYSA-N 1 0 487.743 4.732 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1(c2ccccc2OC)CCCCC1 ZINC001457009755 1066741018 /nfs/dbraw/zinc/74/10/18/1066741018.db2.gz LBFNHKZBGWETPB-UHFFFAOYSA-N 1 0 451.611 4.686 20 0 JJADRO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC001446795664 1066741078 /nfs/dbraw/zinc/74/10/78/1066741078.db2.gz ASAWTCRQENXUGB-UHFFFAOYSA-N 1 0 452.942 4.535 20 0 JJADRO CCC[C@@H]1CN(C(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001446813934 1066744082 /nfs/dbraw/zinc/74/40/82/1066744082.db2.gz JQCMYLVUXBIQKH-BCWBWYQASA-N 1 0 455.643 4.703 20 0 JJADRO O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)C(F)(F)c1ccccc1F ZINC001446823190 1066745199 /nfs/dbraw/zinc/74/51/99/1066745199.db2.gz JNXUKBWTODPITK-UHFFFAOYSA-N 1 0 453.508 4.921 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)cc1)C[C@H]1CCCCO1 ZINC001446832495 1066746268 /nfs/dbraw/zinc/74/62/68/1066746268.db2.gz FSECRTHKQNGXDN-NQSCKRDGSA-N 1 0 475.584 4.925 20 0 JJADRO Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001492645496 1066746364 /nfs/dbraw/zinc/74/63/64/1066746364.db2.gz XXOKGBTVJWQHDM-LJQANCHMSA-N 1 0 466.655 4.636 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCCCC2)c1 ZINC001492645599 1066746503 /nfs/dbraw/zinc/74/65/03/1066746503.db2.gz BODBHTTXXVYPRT-UHFFFAOYSA-N 1 0 477.476 4.918 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)c1 ZINC001492645588 1066746522 /nfs/dbraw/zinc/74/65/22/1066746522.db2.gz BEIDXQYSWYSBJE-UHFFFAOYSA-N 1 0 466.474 4.871 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1)C[C@@H]1CCCCO1 ZINC001446836244 1066746835 /nfs/dbraw/zinc/74/68/35/1066746835.db2.gz NAVFQESFBWWDNA-ZWKOTPCHSA-N 1 0 451.822 4.526 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001492645700 1066746874 /nfs/dbraw/zinc/74/68/74/1066746874.db2.gz FXLAIWYAAKXNIE-UHFFFAOYSA-N 1 0 487.117 4.878 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCC2)c1 ZINC001492645716 1066746964 /nfs/dbraw/zinc/74/69/64/1066746964.db2.gz GOPMMAOOJZZQBS-UHFFFAOYSA-N 1 0 477.476 4.538 20 0 JJADRO COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001457028767 1066747831 /nfs/dbraw/zinc/74/78/31/1066747831.db2.gz OZIIZIRWEGVUEM-ZSQFBXSQSA-N 1 0 458.602 4.803 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC001492647166 1066751069 /nfs/dbraw/zinc/75/10/69/1066751069.db2.gz YPKGARDSWHIBQZ-SIKLNZKXSA-N 1 0 457.619 4.620 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001457094945 1066760248 /nfs/dbraw/zinc/76/02/48/1066760248.db2.gz LCZZHECKPAPKGO-UUOWRZLLSA-N 1 0 451.014 4.842 20 0 JJADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001457100495 1066761284 /nfs/dbraw/zinc/76/12/84/1066761284.db2.gz UCYDNPJSBPRTML-RTWAWAEBSA-N 1 0 457.665 4.814 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CC23CCCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001446987429 1066762290 /nfs/dbraw/zinc/76/22/90/1066762290.db2.gz XFPDAKNEJUNXKO-QFIPXVFZSA-N 1 0 455.643 4.775 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001457103078 1066763089 /nfs/dbraw/zinc/76/30/89/1066763089.db2.gz RNJDZKMDPBYNDH-SKPFHBQLSA-N 1 0 451.611 4.913 20 0 JJADRO Cc1cscc1Cn1c(-c2ccccc2C)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001492654725 1066764398 /nfs/dbraw/zinc/76/43/98/1066764398.db2.gz ZWRRPTJYAMNHAA-UHFFFAOYSA-N 1 0 493.599 4.763 20 0 JJADRO Cc1nc(C)c(CCn2c(-c3ccccc3F)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC001492654769 1066764829 /nfs/dbraw/zinc/76/48/29/1066764829.db2.gz BMXNKCCZBKRLRY-UHFFFAOYSA-N 1 0 470.662 4.957 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCCC2)CCO1 ZINC001546087412 1066767722 /nfs/dbraw/zinc/76/77/22/1066767722.db2.gz LWPIYDHHNRWDPN-JOCHJYFZSA-N 1 0 452.430 4.743 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNC(=O)Cc1ccc(Br)cc1)C1CCCC1 ZINC001457160921 1066776474 /nfs/dbraw/zinc/77/64/74/1066776474.db2.gz FVBISOOPEXWBKB-UHFFFAOYSA-N 1 0 459.428 4.951 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001492662130 1066781967 /nfs/dbraw/zinc/78/19/67/1066781967.db2.gz PJRPBFNJITWBKO-VGSWGCGISA-N 1 0 458.651 4.947 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccccc3NCc3ccccc3Cl)CC2)CC1 ZINC001447251512 1066785076 /nfs/dbraw/zinc/78/50/76/1066785076.db2.gz LRTYZAPVVWMKBR-UHFFFAOYSA-N 1 0 455.046 4.583 20 0 JJADRO Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1)C2 ZINC001457203359 1066788284 /nfs/dbraw/zinc/78/82/84/1066788284.db2.gz LXHDVMBICIEWEQ-GDLZYMKVSA-N 1 0 456.586 4.675 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001457208227 1066790245 /nfs/dbraw/zinc/79/02/45/1066790245.db2.gz SVOLDUNZDLJARN-JXFKEZNVSA-N 1 0 450.410 4.701 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCc2ccc(Br)cc2C1)[NH+]1CCCC1 ZINC001545994499 1066792032 /nfs/dbraw/zinc/79/20/32/1066792032.db2.gz AMCRSRWLSJEHFK-OAQYLSRUSA-N 1 0 460.464 4.676 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccsc3)n2C[C@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492667087 1066792824 /nfs/dbraw/zinc/79/28/24/1066792824.db2.gz SYGDCRCTGGNJGY-LJQANCHMSA-N 1 0 458.682 4.696 20 0 JJADRO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001457231295 1066795356 /nfs/dbraw/zinc/79/53/56/1066795356.db2.gz STFCERQGXVIEQJ-XUZZJYLKSA-N 1 0 458.606 4.962 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)Oc1cccc(F)c1 ZINC001545994937 1066798486 /nfs/dbraw/zinc/79/84/86/1066798486.db2.gz JFCCGNARWUMWEM-GGAORHGYSA-N 1 0 457.638 4.786 20 0 JJADRO Cc1nc(Cc2nnc(N(Cc3cccs3)C(C)C)n2CCC[NH+]2CCCCC2)cs1 ZINC001492669895 1066798758 /nfs/dbraw/zinc/79/87/58/1066798758.db2.gz KOFLNLFLLGCVDE-UHFFFAOYSA-N 1 0 458.701 4.986 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2Cc2cccc(C[NH+](C)C)c2)cs1 ZINC001492671381 1066802095 /nfs/dbraw/zinc/80/20/95/1066802095.db2.gz VPHAAOJAFNQNIK-GOSISDBHSA-N 1 0 452.672 4.616 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@@H](c4ccccc4)C[C@@H]3C)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492671738 1066803163 /nfs/dbraw/zinc/80/31/63/1066803163.db2.gz DCZYKFKFMISZSN-RXVVDRJESA-N 1 0 452.672 4.604 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001492673610 1066806631 /nfs/dbraw/zinc/80/66/31/1066806631.db2.gz XYEXIOGFBAGMKC-YSTOQKLRSA-N 1 0 458.720 4.873 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(F)(F)C3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)cs1 ZINC001492674672 1066809772 /nfs/dbraw/zinc/80/97/72/1066809772.db2.gz FVPHHAAEKYAAAA-MRXNPFEDSA-N 1 0 460.598 4.609 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001546089521 1066812368 /nfs/dbraw/zinc/81/23/68/1066812368.db2.gz QSCKACYTBSQDPK-XLNZFTOWSA-N 1 0 490.490 4.833 20 0 JJADRO C[C@@H]1CCCN(C(=O)[C@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 ZINC001447469704 1066812790 /nfs/dbraw/zinc/81/27/90/1066812790.db2.gz APSPBCFTANJEGW-OFNKIYASSA-N 1 0 451.611 4.942 20 0 JJADRO C[C@H]1CCCN(C(=O)[C@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 ZINC001447469706 1066812815 /nfs/dbraw/zinc/81/28/15/1066812815.db2.gz APSPBCFTANJEGW-REWPJTCUSA-N 1 0 451.611 4.942 20 0 JJADRO CC[C@@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001447498063 1066815311 /nfs/dbraw/zinc/81/53/11/1066815311.db2.gz LLLIIGJBOPSBPF-NRUKRLKBSA-N 1 0 453.671 4.755 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492677175 1066815895 /nfs/dbraw/zinc/81/58/95/1066815895.db2.gz YDTROWLYXKTVEC-NQIIRXRSSA-N 1 0 458.701 4.871 20 0 JJADRO CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1)OC ZINC001545996883 1066816805 /nfs/dbraw/zinc/81/68/05/1066816805.db2.gz FYSOKWSMXZMKMT-HSZRJFAPSA-N 1 0 460.066 4.650 20 0 JJADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457363773 1066817189 /nfs/dbraw/zinc/81/71/89/1066817189.db2.gz NJCQBVLROLQQAW-WXTAPIANSA-N 1 0 455.599 4.652 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492678473 1066818736 /nfs/dbraw/zinc/81/87/36/1066818736.db2.gz YDKMZOCVDBWKCG-WMZHIEFXSA-N 1 0 452.672 4.779 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[NH+](C(C)C)C(C)C)cs1 ZINC001492679073 1066820644 /nfs/dbraw/zinc/82/06/44/1066820644.db2.gz UNAJUXDRHVRURI-NRFANRHFSA-N 1 0 462.708 4.537 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492679269 1066821215 /nfs/dbraw/zinc/82/12/15/1066821215.db2.gz YGVFAGOALBEGSI-HYBUGGRVSA-N 1 0 496.725 4.938 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)cs1 ZINC001492681932 1066824276 /nfs/dbraw/zinc/82/42/76/1066824276.db2.gz LFTJNUZTPLTCMX-BKMJKUGQSA-N 1 0 482.698 4.578 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492682326 1066824773 /nfs/dbraw/zinc/82/47/73/1066824773.db2.gz VEOSBILXRLXSBY-HYBUGGRVSA-N 1 0 496.725 4.796 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3c[nH]c4ccccc34)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001546090678 1066825917 /nfs/dbraw/zinc/82/59/17/1066825917.db2.gz APUQFXPKWSBYMA-AREMUKBSSA-N 1 0 452.647 4.941 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)cs1 ZINC001492683934 1066827282 /nfs/dbraw/zinc/82/72/82/1066827282.db2.gz MHGFYOBGIGNGNQ-FCHUYYIVSA-N 1 0 470.712 4.515 20 0 JJADRO C[C@H](CCNC(=O)c1ccc(Cl)c(I)c1)[N@H+](C)Cc1ccccc1 ZINC001457420157 1066827376 /nfs/dbraw/zinc/82/73/76/1066827376.db2.gz AQNHDEUVEKIJOW-CQSZACIVSA-N 1 0 456.755 4.585 20 0 JJADRO C[C@H](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001457421996 1066828030 /nfs/dbraw/zinc/82/80/30/1066828030.db2.gz MKGKLPBJDDJLGW-ONTLXTELSA-N 1 0 457.659 4.972 20 0 JJADRO Cc1nc(C[C@@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)C2)no1 ZINC001492686254 1066830711 /nfs/dbraw/zinc/83/07/11/1066830711.db2.gz XDYCSBCUCYNPMY-GGAORHGYSA-N 1 0 495.672 4.526 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cs1 ZINC001492685978 1066831540 /nfs/dbraw/zinc/83/15/40/1066831540.db2.gz PTFLHVLOXWXJKA-LLGFUMIMSA-N 1 0 480.673 4.872 20 0 JJADRO Cc1nc2ccccc2n1C1CCN(c2nnc(CC(C)C)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001492694001 1066839390 /nfs/dbraw/zinc/83/93/90/1066839390.db2.gz ATFLAHGQWUFZSS-HSZRJFAPSA-N 1 0 465.690 4.953 20 0 JJADRO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2CCCCC2)s1 ZINC001492694537 1066840018 /nfs/dbraw/zinc/84/00/18/1066840018.db2.gz NXQQQVIWJSESBH-UHFFFAOYSA-N 1 0 495.697 4.813 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2CC2([NH+](C)C)CCC2)s1 ZINC001492695693 1066843547 /nfs/dbraw/zinc/84/35/47/1066843547.db2.gz LJYWJTAISKVAPJ-UHFFFAOYSA-N 1 0 489.487 4.902 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)s1 ZINC001492695860 1066844059 /nfs/dbraw/zinc/84/40/59/1066844059.db2.gz OLZCHWMRMPXGAJ-MRXNPFEDSA-N 1 0 489.487 4.841 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC001457502145 1066844288 /nfs/dbraw/zinc/84/42/88/1066844288.db2.gz HGEFJIJGTKOJPK-UHFFFAOYSA-N 1 0 455.602 4.971 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)cc1 ZINC001457502180 1066844682 /nfs/dbraw/zinc/84/46/82/1066844682.db2.gz HHNCBRPWHKSLDD-QHCPKHFHSA-N 1 0 459.565 4.614 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCC2)s1 ZINC001492696166 1066845408 /nfs/dbraw/zinc/84/54/08/1066845408.db2.gz WOWFGSDPZRHHGL-UHFFFAOYSA-N 1 0 475.460 4.593 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001492698418 1066851577 /nfs/dbraw/zinc/85/15/77/1066851577.db2.gz WSZHFHBMASKIHU-QFIPXVFZSA-N 1 0 466.699 4.947 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+](C)C(C)C)s1 ZINC001492699020 1066853504 /nfs/dbraw/zinc/85/35/04/1066853504.db2.gz UUAIUPNAUBUALA-UHFFFAOYSA-N 1 0 470.687 4.896 20 0 JJADRO CCCCOc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)cc1Cl ZINC001447754872 1066853806 /nfs/dbraw/zinc/85/38/06/1066853806.db2.gz ZRJCEVWLNPRIAA-BKMJKUGQSA-N 1 0 457.014 4.674 20 0 JJADRO CN(C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457540590 1066855775 /nfs/dbraw/zinc/85/57/75/1066855775.db2.gz UYQXYEOTIJVVAD-WXFUMESZSA-N 1 0 457.659 4.973 20 0 JJADRO CN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457544943 1066857301 /nfs/dbraw/zinc/85/73/01/1066857301.db2.gz MKDFNPHIIXXHFW-QFIPXVFZSA-N 1 0 456.428 4.786 20 0 JJADRO CN(C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457549552 1066858611 /nfs/dbraw/zinc/85/86/11/1066858611.db2.gz TVJIJYGGJWNCSO-QFIPXVFZSA-N 1 0 456.512 4.687 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4csc(C)n4)c[nH]3)c(OCC)c2)CC1 ZINC001447802144 1066862320 /nfs/dbraw/zinc/86/23/20/1066862320.db2.gz LAAZQUDSKIFOJM-UHFFFAOYSA-N 1 0 453.612 4.630 20 0 JJADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2)[NH+](C)C ZINC001447818819 1066865571 /nfs/dbraw/zinc/86/55/71/1066865571.db2.gz OHTXKMCJTKDAMO-WAIKUNEKSA-N 1 0 453.970 4.836 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2)[NH+](C)C ZINC001447818808 1066865595 /nfs/dbraw/zinc/86/55/95/1066865595.db2.gz OHTXKMCJTKDAMO-HJPURHCSSA-N 1 0 453.970 4.836 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2)[NH+](C)C ZINC001447818811 1066865649 /nfs/dbraw/zinc/86/56/49/1066865649.db2.gz OHTXKMCJTKDAMO-MWTRTKDXSA-N 1 0 453.970 4.836 20 0 JJADRO Cc1nccn1CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001492707147 1066869909 /nfs/dbraw/zinc/86/99/09/1066869909.db2.gz MODPWBCEWSBJBI-UHFFFAOYSA-N 1 0 470.065 4.750 20 0 JJADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC001457608796 1066877455 /nfs/dbraw/zinc/87/74/55/1066877455.db2.gz GQKJCKBENJNOHB-HXUWFJFHSA-N 1 0 459.432 4.718 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC001457610701 1066877977 /nfs/dbraw/zinc/87/79/77/1066877977.db2.gz GZRXEUAIPHZLQG-HNNXBMFYSA-N 1 0 457.409 4.788 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001457614689 1066879013 /nfs/dbraw/zinc/87/90/13/1066879013.db2.gz VIOAXKJYKKAHBC-FQEVSTJZSA-N 1 0 451.677 4.846 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001457614692 1066879077 /nfs/dbraw/zinc/87/90/77/1066879077.db2.gz VIOAXKJYKKAHBC-HXUWFJFHSA-N 1 0 451.677 4.846 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)COc1ccc(Br)cc1Cl ZINC001457617367 1066880294 /nfs/dbraw/zinc/88/02/94/1066880294.db2.gz JONPZCIKNZMELP-UHFFFAOYSA-N 1 0 459.837 4.913 20 0 JJADRO CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001546001578 1066883425 /nfs/dbraw/zinc/88/34/25/1066883425.db2.gz PMOPBPCTMCJVTB-NRFANRHFSA-N 1 0 459.063 4.798 20 0 JJADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001447967354 1066884907 /nfs/dbraw/zinc/88/49/07/1066884907.db2.gz WWDSECHWAJJPMG-UHFFFAOYSA-N 1 0 453.384 4.616 20 0 JJADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001457630312 1066886112 /nfs/dbraw/zinc/88/61/12/1066886112.db2.gz QNUCTQPGAQNHKD-LEWJYISDSA-N 1 0 455.357 4.780 20 0 JJADRO CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001546001868 1066886762 /nfs/dbraw/zinc/88/67/62/1066886762.db2.gz VHWFKHXMGVYQHX-WMZHIEFXSA-N 1 0 452.672 4.748 20 0 JJADRO Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)n(C)n1 ZINC001492727327 1066897006 /nfs/dbraw/zinc/89/70/06/1066897006.db2.gz OTYQRIHTBMFCMR-UHFFFAOYSA-N 1 0 493.700 4.555 20 0 JJADRO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001457688570 1066897732 /nfs/dbraw/zinc/89/77/32/1066897732.db2.gz DDDCSGXCDLQGEI-LQWHRVPQSA-N 1 0 454.442 4.612 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccc(F)cc3)[NH+](C)C)C2)n1 ZINC001492731222 1066902133 /nfs/dbraw/zinc/90/21/33/1066902133.db2.gz ODYHXSANTYOWIE-DNQXCXABSA-N 1 0 481.664 4.964 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492732501 1066903702 /nfs/dbraw/zinc/90/37/02/1066903702.db2.gz QAKFZZUWYJRMAE-JYMRHQFYSA-N 1 0 469.703 4.909 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001492732399 1066904820 /nfs/dbraw/zinc/90/48/20/1066904820.db2.gz OGRZDWQEBZEWHQ-WMZHIEFXSA-N 1 0 481.645 4.841 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3ccccc3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001492734717 1066907931 /nfs/dbraw/zinc/90/79/31/1066907931.db2.gz WBLZXPIXCZIOEV-NRFANRHFSA-N 1 0 463.674 4.502 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CC[NH+]2CCCCCC2)n1 ZINC001492736432 1066911597 /nfs/dbraw/zinc/91/15/97/1066911597.db2.gz GIZFXKSNRVYMRT-UHFFFAOYSA-N 1 0 489.590 4.671 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492741155 1066916497 /nfs/dbraw/zinc/91/64/97/1066916497.db2.gz UKOWOCOSEITSMQ-OYRHEFFESA-N 1 0 483.730 4.984 20 0 JJADRO CC[C@@H](Cn1c(CC2CC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001546004293 1066916741 /nfs/dbraw/zinc/91/67/41/1066916741.db2.gz ZOTPCJJKHADBNH-QHCPKHFHSA-N 1 0 496.700 4.635 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)NCC[N@H+]3CCC[C@H]3C)cc12 ZINC001457775037 1066916924 /nfs/dbraw/zinc/91/69/24/1066916924.db2.gz UVMQJQBDAYMWQX-CYBMUJFWSA-N 1 0 451.423 4.975 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC001492744103 1066919225 /nfs/dbraw/zinc/91/92/25/1066919225.db2.gz GXSUDCINRRUMAY-NRFANRHFSA-N 1 0 477.701 4.901 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492744269 1066919580 /nfs/dbraw/zinc/91/95/80/1066919580.db2.gz LDSNDEIIZVUYPM-FKBYEOEOSA-N 1 0 469.722 4.770 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492744267 1066919700 /nfs/dbraw/zinc/91/97/00/1066919700.db2.gz LDSNDEIIZVUYPM-BDTNDASRSA-N 1 0 469.722 4.770 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001492744326 1066919818 /nfs/dbraw/zinc/91/98/18/1066919818.db2.gz MFXWRRSLUYNNBJ-QHCPKHFHSA-N 1 0 463.674 4.533 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2CCSC(C)C)n1 ZINC001492746280 1066921830 /nfs/dbraw/zinc/92/18/30/1066921830.db2.gz NGVDVTSIPHXGOU-QFIPXVFZSA-N 1 0 487.762 4.762 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCc4c(F)cc(F)cc4[C@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001492747483 1066922563 /nfs/dbraw/zinc/92/25/63/1066922563.db2.gz BNKQZAWKLUZQAW-CTNGQTDRSA-N 1 0 485.627 4.518 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CC(C)(C)C(C)C)n1 ZINC001492753008 1066926323 /nfs/dbraw/zinc/92/63/23/1066926323.db2.gz IROQUHIOKHXFQC-HSZRJFAPSA-N 1 0 463.674 4.533 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492751373 1066926421 /nfs/dbraw/zinc/92/64/21/1066926421.db2.gz ZJKMHCFQCQNWDJ-PWRODBHTSA-N 1 0 455.695 4.523 20 0 JJADRO CC(C)N1C(=O)C[C@H](C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001457819551 1066928012 /nfs/dbraw/zinc/92/80/12/1066928012.db2.gz FKXREXWAGUPJSZ-NGYIFUPDSA-N 1 0 457.977 4.965 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC001492757762 1066930232 /nfs/dbraw/zinc/93/02/32/1066930232.db2.gz MBNLGGODDBPYLR-NRFANRHFSA-N 1 0 469.722 4.818 20 0 JJADRO C[C@H](C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001448461476 1066930317 /nfs/dbraw/zinc/93/03/17/1066930317.db2.gz WHNJCKPUKXCRQH-QGZVFWFLSA-N 1 0 450.476 4.819 20 0 JJADRO Cc1ccc(/C=C/c2cc(C(=O)NC[C@H](C)C[NH+](C)C)c3cc(Br)ccc3n2)o1 ZINC001457847217 1066931848 /nfs/dbraw/zinc/93/18/48/1066931848.db2.gz QYCUTSHSYAPXIX-HEWZJLJBSA-N 1 0 456.384 4.997 20 0 JJADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC001457931160 1066942716 /nfs/dbraw/zinc/94/27/16/1066942716.db2.gz GWBVFKDWEAUPIV-UHFFFAOYSA-N 1 0 452.392 4.731 20 0 JJADRO Cc1nnc(N(C)[C@H](C)CCc2ccc(O)cc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001492776288 1066946613 /nfs/dbraw/zinc/94/66/13/1066946613.db2.gz VYAGVAYYIYPFQG-LJQANCHMSA-N 1 0 453.656 4.723 20 0 JJADRO Cc1nnc(N(C)Cc2cc(Br)cs2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001492779738 1066947703 /nfs/dbraw/zinc/94/77/03/1066947703.db2.gz PEYVJLOGHJJCQZ-QGZVFWFLSA-N 1 0 466.474 4.946 20 0 JJADRO Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001492783580 1066948701 /nfs/dbraw/zinc/94/87/01/1066948701.db2.gz VIFRFTZNOLPILN-OAHLLOKOSA-N 1 0 452.550 4.609 20 0 JJADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC001457969832 1066949596 /nfs/dbraw/zinc/94/95/96/1066949596.db2.gz HWHROKWKLNOBGJ-OAQYLSRUSA-N 1 0 450.505 4.500 20 0 JJADRO Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001492799790 1066952988 /nfs/dbraw/zinc/95/29/88/1066952988.db2.gz NVPICRJCXUYVKZ-IBGZPJMESA-N 1 0 470.662 4.600 20 0 JJADRO CC[C@]1(C)CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546095782 1066953218 /nfs/dbraw/zinc/95/32/18/1066953218.db2.gz UDIJKZNUBYBRJJ-JYFHCDHNSA-N 1 0 457.638 4.524 20 0 JJADRO Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492803856 1066953556 /nfs/dbraw/zinc/95/35/56/1066953556.db2.gz BHQIZDGRBMBASN-IBVKSMDESA-N 1 0 476.710 4.570 20 0 JJADRO C[C@@H]1CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001458000123 1066955079 /nfs/dbraw/zinc/95/50/79/1066955079.db2.gz LSPHVGHUNCKRLL-DPLHUUCSSA-N 1 0 451.611 4.764 20 0 JJADRO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001458000107 1066955154 /nfs/dbraw/zinc/95/51/54/1066955154.db2.gz LNVGJCHQWXVXQX-LSDHHAIUSA-N 1 0 453.327 4.786 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001458005129 1066956271 /nfs/dbraw/zinc/95/62/71/1066956271.db2.gz QDDIFQAICKIOKF-LUGTWXOSSA-N 1 0 457.659 4.972 20 0 JJADRO Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001492845190 1066957143 /nfs/dbraw/zinc/95/71/43/1066957143.db2.gz XQIVZMYOQMKCMI-QGZVFWFLSA-N 1 0 456.582 4.568 20 0 JJADRO Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001492846660 1066957299 /nfs/dbraw/zinc/95/72/99/1066957299.db2.gz GSBVHIZIMMCIDT-GOSISDBHSA-N 1 0 467.992 4.838 20 0 JJADRO COc1ccccc1Oc1ccc(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)nc1 ZINC001458031955 1066958536 /nfs/dbraw/zinc/95/85/36/1066958536.db2.gz AVXVGNRWOBPVRT-UHFFFAOYSA-N 1 0 453.542 4.992 20 0 JJADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C1(c2ccc(Br)cc2)CCOCC1 ZINC001458039851 1066959470 /nfs/dbraw/zinc/95/94/70/1066959470.db2.gz CEAKHJQGRVJPGG-UHFFFAOYSA-N 1 0 457.412 4.774 20 0 JJADRO CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001546009903 1066960867 /nfs/dbraw/zinc/96/08/67/1066960867.db2.gz BGCZRMYHQBWTET-PMACEKPBSA-N 1 0 465.564 4.819 20 0 JJADRO CC[NH+](CC)[C@H](CNc1ncnc2cc(I)sc21)c1ccccc1 ZINC001458047312 1066960745 /nfs/dbraw/zinc/96/07/45/1066960745.db2.gz OHYDOAKCJIJGDC-OAHLLOKOSA-N 1 0 452.365 4.791 20 0 JJADRO Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001492944940 1066961301 /nfs/dbraw/zinc/96/13/01/1066961301.db2.gz VFTJVXYRPMUYLK-RTBURBONSA-N 1 0 466.438 4.836 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C[N@@H+]1Cc1ccccc1 ZINC001458054308 1066962642 /nfs/dbraw/zinc/96/26/42/1066962642.db2.gz BOXJGIBKCFDOTR-ICSRJNTNSA-N 1 0 456.512 4.922 20 0 JJADRO CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](CC2CCCCC2)CC1)OC ZINC001546009987 1066963742 /nfs/dbraw/zinc/96/37/42/1066963742.db2.gz CLKSWZYDKDPNNW-DEOSSOPVSA-N 1 0 469.674 4.601 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448848623 1066963844 /nfs/dbraw/zinc/96/38/44/1066963844.db2.gz SPHXNMFMLIDPRA-ZBCONREDSA-N 1 0 469.670 4.829 20 0 JJADRO CC[C@@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001545701303 1066964257 /nfs/dbraw/zinc/96/42/57/1066964257.db2.gz HUJNLWLSACGCPP-XMMPIXPASA-N 1 0 494.728 4.575 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C[N@@H+]1Cc1ccccc1 ZINC001458061099 1066965024 /nfs/dbraw/zinc/96/50/24/1066965024.db2.gz VJHUVRBPDXRCBK-QUCCMNQESA-N 1 0 453.533 4.969 20 0 JJADRO CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001546010086 1066965221 /nfs/dbraw/zinc/96/52/21/1066965221.db2.gz FGBLFGLZJNDJSU-VWNXMTODSA-N 1 0 471.715 4.926 20 0 JJADRO Fc1cccc2cc(Br)c(NCCCN3CC[NH+](Cc4ccccc4)CC3)nc12 ZINC001458079840 1066969190 /nfs/dbraw/zinc/96/91/90/1066969190.db2.gz GDPGLAQUCIISRS-UHFFFAOYSA-N 1 0 457.391 4.756 20 0 JJADRO CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001546010498 1066969663 /nfs/dbraw/zinc/96/96/63/1066969663.db2.gz MUBAWMUSFAOVTE-OAQYLSRUSA-N 1 0 461.601 4.830 20 0 JJADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(Cl)c(F)c1 ZINC001458091613 1066971819 /nfs/dbraw/zinc/97/18/19/1066971819.db2.gz BIGYQPHNNOTUCJ-IBGZPJMESA-N 1 0 456.949 4.839 20 0 JJADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(Cl)c(F)c1 ZINC001458091617 1066971863 /nfs/dbraw/zinc/97/18/63/1066971863.db2.gz BIGYQPHNNOTUCJ-LJQANCHMSA-N 1 0 456.949 4.839 20 0 JJADRO COc1nc(C)cc(N2CC[NH+](Cc3ccc(-c4ccc(Br)cc4)s3)CC2)n1 ZINC001458092552 1066972281 /nfs/dbraw/zinc/97/22/81/1066972281.db2.gz ARPYHHGDVGICLA-UHFFFAOYSA-N 1 0 459.413 4.607 20 0 JJADRO CCOc1ccc(SCC(=O)Nc2c(C)cnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001458092235 1066972304 /nfs/dbraw/zinc/97/23/04/1066972304.db2.gz GRBPNBSZSUHUJT-OAQYLSRUSA-N 1 0 450.608 4.768 20 0 JJADRO CCOCc1nc(Cl)cc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001458100058 1066975009 /nfs/dbraw/zinc/97/50/09/1066975009.db2.gz HEYKVUYOAUVFMG-UHFFFAOYSA-N 1 0 452.002 4.601 20 0 JJADRO CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546010967 1066977027 /nfs/dbraw/zinc/97/70/27/1066977027.db2.gz VVQKZBXHNCLUJC-UPVQGACJSA-N 1 0 469.674 4.824 20 0 JJADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 ZINC001458113166 1066979891 /nfs/dbraw/zinc/97/98/91/1066979891.db2.gz LLKRQKXUZFAEBF-SCRDCRAPSA-N 1 0 453.290 4.547 20 0 JJADRO C[NH+](C)C[C@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(C(C)(C)C)cc1)CC2 ZINC001449062375 1066980765 /nfs/dbraw/zinc/98/07/65/1066980765.db2.gz OINATOMVCCQRLW-JXAXNMIRSA-N 1 0 457.618 4.671 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@H]2CCCOC2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545724780 1066981632 /nfs/dbraw/zinc/98/16/32/1066981632.db2.gz WYAJOYMAFQGAFB-JBRSBNLGSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@H]2CCCOC2)n1CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545724782 1066981696 /nfs/dbraw/zinc/98/16/96/1066981696.db2.gz WYAJOYMAFQGAFB-VDKIKQQVSA-N 1 0 453.675 4.947 20 0 JJADRO Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)n2)cc1F ZINC001545725578 1066982380 /nfs/dbraw/zinc/98/23/80/1066982380.db2.gz YTBKYFSUPJLLHT-APWZRJJASA-N 1 0 458.484 4.519 20 0 JJADRO CC[C@H](c1nnc(N(C)C[C@H]2CCCO2)n1C[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC001545726486 1066983501 /nfs/dbraw/zinc/98/35/01/1066983501.db2.gz QUUXWBLSODFVOU-XPWALMASSA-N 1 0 453.656 4.800 20 0 JJADRO CC[C@H](c1nnc(N(C)CCC(F)(F)F)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545726860 1066984298 /nfs/dbraw/zinc/98/42/98/1066984298.db2.gz YPDBEVCXXGFKAD-RXVVDRJESA-N 1 0 455.594 4.646 20 0 JJADRO CC[C@@H](c1nnc(N(C)CCC(F)(F)F)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545726859 1066984346 /nfs/dbraw/zinc/98/43/46/1066984346.db2.gz YPDBEVCXXGFKAD-NQIIRXRSSA-N 1 0 455.594 4.646 20 0 JJADRO Cc1ccc(OCc2nc(CC(=O)NC[C@H](C[NH+](C)C)c3ccc(Cl)cc3)cs2)cc1 ZINC001449156546 1066985826 /nfs/dbraw/zinc/98/58/26/1066985826.db2.gz HEMMEWOAMARGND-LJQANCHMSA-N 1 0 458.027 4.688 20 0 JJADRO C[NH+](C)C[C@H](CNC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 ZINC001449167438 1066986635 /nfs/dbraw/zinc/98/66/35/1066986635.db2.gz UPPLZDDVLKWFSD-IBGZPJMESA-N 1 0 458.002 4.666 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)s1 ZINC001449179566 1066988016 /nfs/dbraw/zinc/98/80/16/1066988016.db2.gz XJGYGAOEQHIETL-FQEVSTJZSA-N 1 0 457.640 4.927 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730569 1066988461 /nfs/dbraw/zinc/98/84/61/1066988461.db2.gz BQIXXGSWKNPKGO-WOIUINJBSA-N 1 0 484.595 4.784 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)C[C@H]2CC)n1CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545731470 1066991101 /nfs/dbraw/zinc/99/11/01/1066991101.db2.gz OQCXQKYYONEOGH-WMMXXEOUSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)C[C@@H]2CC)n1CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545731471 1066991283 /nfs/dbraw/zinc/99/12/83/1066991283.db2.gz OQCXQKYYONEOGH-YQIMAOPZSA-N 1 0 453.675 4.946 20 0 JJADRO CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)N(C)CCC[N@H+](C)Cc1ccco1)OCC3 ZINC001449232634 1066991777 /nfs/dbraw/zinc/99/17/77/1066991777.db2.gz ZISNHDLGOXVOFD-MHZLTWQESA-N 1 0 451.611 4.872 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CCO1 ZINC001546097657 1066993950 /nfs/dbraw/zinc/99/39/50/1066993950.db2.gz NRNUXFQLCXWAEG-LBNPDIFZSA-N 1 0 467.702 4.969 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545734397 1066997012 /nfs/dbraw/zinc/99/70/12/1066997012.db2.gz RTWGCYRGQORERB-NQIIRXRSSA-N 1 0 477.575 4.652 20 0 JJADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC001449307999 1066997369 /nfs/dbraw/zinc/99/73/69/1066997369.db2.gz JWBRUMZLFHCEHT-UHFFFAOYSA-N 1 0 454.058 4.818 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)OC)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734577 1066997989 /nfs/dbraw/zinc/99/79/89/1066997989.db2.gz VZEHZCCHLRDYQC-WRALFONMSA-N 1 0 481.685 4.577 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001545736005 1066999229 /nfs/dbraw/zinc/99/92/29/1066999229.db2.gz JTDZQHBWWFVJEL-OAQYLSRUSA-N 1 0 479.591 4.710 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001545736612 1067000444 /nfs/dbraw/zinc/00/04/44/1067000444.db2.gz SPDPHXQVHUGIPF-OFNKIYASSA-N 1 0 492.634 4.625 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001545736611 1067000493 /nfs/dbraw/zinc/00/04/93/1067000493.db2.gz SPDPHXQVHUGIPF-NZQKXSOJSA-N 1 0 492.634 4.625 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001545736610 1067000635 /nfs/dbraw/zinc/00/06/35/1067000635.db2.gz SPDPHXQVHUGIPF-NFBKMPQASA-N 1 0 492.634 4.625 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545738608 1067003368 /nfs/dbraw/zinc/00/33/68/1067003368.db2.gz KYABTSFMVWUINI-DNQXCXABSA-N 1 0 453.675 4.661 20 0 JJADRO O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001449361584 1067004031 /nfs/dbraw/zinc/00/40/31/1067004031.db2.gz LDDYBDBLLQYBGK-FRSADPSXSA-N 1 0 456.533 4.542 20 0 JJADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001449365709 1067004476 /nfs/dbraw/zinc/00/44/76/1067004476.db2.gz DYNLSWUWAJZWBY-IBGZPJMESA-N 1 0 452.396 4.915 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001458214172 1067004886 /nfs/dbraw/zinc/00/48/86/1067004886.db2.gz PCLUKTGOJONCOW-OLKYXYMISA-N 1 0 455.643 4.501 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)CC)c1ccccc1 ZINC001545740763 1067005676 /nfs/dbraw/zinc/00/56/76/1067005676.db2.gz CWHQIHYUVDKIHK-LOSJGSFVSA-N 1 0 466.718 4.861 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001545740779 1067006203 /nfs/dbraw/zinc/00/62/03/1067006203.db2.gz DDCCLKKHBQLKKP-GOTSBHOMSA-N 1 0 496.700 4.798 20 0 JJADRO FC(F)(F)c1cnc(NC2CCC([NH+]3CCCCC3)CC2)c(I)c1 ZINC001458226912 1067007361 /nfs/dbraw/zinc/00/73/61/1067007361.db2.gz FMTSJECWZZNUMT-UHFFFAOYSA-N 1 0 453.290 4.914 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001545741487 1067007903 /nfs/dbraw/zinc/00/79/03/1067007903.db2.gz RCWKCXJXALJTNI-WMZHIEFXSA-N 1 0 494.709 4.539 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(F)(F)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545741795 1067008571 /nfs/dbraw/zinc/00/85/71/1067008571.db2.gz WQKXAXMXDZDAMM-SVFBPWRDSA-N 1 0 461.601 4.553 20 0 JJADRO CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001546014125 1067008854 /nfs/dbraw/zinc/00/88/54/1067008854.db2.gz BPDSBBFISLHIDM-RBBKRZOGSA-N 1 0 478.106 4.959 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545743062 1067009348 /nfs/dbraw/zinc/00/93/48/1067009348.db2.gz CWBKBAIIVNPACC-LEWJYISDSA-N 1 0 479.591 4.588 20 0 JJADRO CC[C@@H](c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545743888 1067010751 /nfs/dbraw/zinc/01/07/51/1067010751.db2.gz SLNYTXSCZGOBSA-XUZZJYLKSA-N 1 0 475.685 4.574 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2oncc2C1)[NH+](C)C ZINC001545744134 1067011335 /nfs/dbraw/zinc/01/13/35/1067011335.db2.gz WXJRKVIMQHWYBM-DHIUTWEWSA-N 1 0 450.631 4.737 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC[S@](=O)CC)c1ccccc1 ZINC001545745374 1067011684 /nfs/dbraw/zinc/01/16/84/1067011684.db2.gz ANLAQPDWKWAJBB-XOYVIQJVSA-N 1 0 485.742 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC001545745462 1067012041 /nfs/dbraw/zinc/01/20/41/1067012041.db2.gz BKCBTSGYIDOITI-MZYLBHOOSA-N 1 0 481.666 4.574 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC[S@](=O)CC)c1ccccc1 ZINC001545745523 1067012182 /nfs/dbraw/zinc/01/21/82/1067012182.db2.gz CBRRADPAIDTMBN-KEOVAGKKSA-N 1 0 485.742 4.537 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545745910 1067013369 /nfs/dbraw/zinc/01/33/69/1067013369.db2.gz ICTHKXLLYGLKKR-INNMJMHTSA-N 1 0 483.701 4.572 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545746235 1067013970 /nfs/dbraw/zinc/01/39/70/1067013970.db2.gz LWQGFUPZXCCEFQ-UPVQGACJSA-N 1 0 496.744 4.787 20 0 JJADRO CC[C@H](Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1)[NH+]1CCCC1 ZINC001546015413 1067014387 /nfs/dbraw/zinc/01/43/87/1067014387.db2.gz ZQLMYAQYQIOYRQ-QFQXNSOFSA-N 1 0 487.714 4.849 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC001449563992 1067014782 /nfs/dbraw/zinc/01/47/82/1067014782.db2.gz QNZSQJLTKICYIT-HSZRJFAPSA-N 1 0 450.048 4.628 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1C[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001545746907 1067016290 /nfs/dbraw/zinc/01/62/90/1067016290.db2.gz WZWRWGUALZRTAL-QPTUXGOLSA-N 1 0 494.709 4.537 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545748742 1067018113 /nfs/dbraw/zinc/01/81/13/1067018113.db2.gz FEFHPVDPIVOWMR-UBFVSLLYSA-N 1 0 453.675 4.802 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1)C[C@@H]1CCCCO1 ZINC001458273808 1067018559 /nfs/dbraw/zinc/01/85/59/1067018559.db2.gz DSVZOXNORVRNQB-SANMLTNESA-N 1 0 451.611 4.555 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1)C[C@H]1CCCCO1 ZINC001458273800 1067018688 /nfs/dbraw/zinc/01/86/88/1067018688.db2.gz DSVZOXNORVRNQB-AREMUKBSSA-N 1 0 451.611 4.555 20 0 JJADRO COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc1)CO2 ZINC001458277573 1067019444 /nfs/dbraw/zinc/01/94/44/1067019444.db2.gz KGZNOPZISWMYNL-DHLKQENFSA-N 1 0 452.595 4.665 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545749306 1067019884 /nfs/dbraw/zinc/01/98/84/1067019884.db2.gz MQUGZHPNECCMDQ-XZOQPEGZSA-N 1 0 498.716 4.901 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001545749556 1067020585 /nfs/dbraw/zinc/02/05/85/1067020585.db2.gz PPNBXOFKPYTTSB-DCEDVJGZSA-N 1 0 478.689 4.600 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C2(CNC(=O)OC(C)(C)C)CC2)cc1)C[C@H]1CCCCO1 ZINC001458285164 1067021448 /nfs/dbraw/zinc/02/14/48/1067021448.db2.gz VTIHPCNMJVSYHV-JOCHJYFZSA-N 1 0 459.631 4.710 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545750219 1067022295 /nfs/dbraw/zinc/02/22/95/1067022295.db2.gz ZMEMREZPRZOODJ-NXCFDTQHSA-N 1 0 494.728 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545750220 1067022447 /nfs/dbraw/zinc/02/24/47/1067022447.db2.gz ZMEMREZPRZOODJ-TWJOJJKGSA-N 1 0 494.728 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC001545750229 1067022487 /nfs/dbraw/zinc/02/24/87/1067022487.db2.gz ZQZRFCAMAPHDRK-AYRHNUGRSA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC001545750232 1067022958 /nfs/dbraw/zinc/02/29/58/1067022958.db2.gz ZQZRFCAMAPHDRK-SKBVVQJISA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@@H](Cn1c(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546016372 1067022944 /nfs/dbraw/zinc/02/29/44/1067022944.db2.gz CJDUIQJNTTUWCB-RBUKOAKNSA-N 1 0 474.719 4.782 20 0 JJADRO CC[C@@H](c1nnc(N2CCCC[C@H](C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545751397 1067023964 /nfs/dbraw/zinc/02/39/64/1067023964.db2.gz FLTWHRSMSAXQNQ-ICDZXHCJSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@](C)(OC)C1CC1)c1ccccc1 ZINC001545751809 1067025644 /nfs/dbraw/zinc/02/56/44/1067025644.db2.gz LRQGQLWIHOANID-HOFKKMOUSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCC1CC1)[NH+]1CCCC1 ZINC001546016665 1067027295 /nfs/dbraw/zinc/02/72/95/1067027295.db2.gz IHPQNKARKBHFRG-YADHBBJMSA-N 1 0 474.694 4.851 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCOc1ncccc1Cl)c1ccccc1 ZINC001545752288 1067027360 /nfs/dbraw/zinc/02/73/60/1067027360.db2.gz UKFMIMAJVDZVIM-QFIPXVFZSA-N 1 0 483.060 4.868 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCOc1ncccc1Cl)c1ccccc1 ZINC001545752287 1067027483 /nfs/dbraw/zinc/02/74/83/1067027483.db2.gz UKFMIMAJVDZVIM-JOCHJYFZSA-N 1 0 483.060 4.868 20 0 JJADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001449805212 1067030466 /nfs/dbraw/zinc/03/04/66/1067030466.db2.gz XZCYTZOOLFKXBO-LJQANCHMSA-N 1 0 453.435 4.862 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CC2([NH+](C)C)CCCCC2)CCO1 ZINC001546099457 1067032010 /nfs/dbraw/zinc/03/20/10/1067032010.db2.gz FPGLCPXDSVQMFB-SANMLTNESA-N 1 0 469.674 4.744 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545756262 1067033506 /nfs/dbraw/zinc/03/35/06/1067033506.db2.gz DQVJFFWRFGSMEK-XMMPIXPASA-N 1 0 495.741 4.950 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756479 1067033992 /nfs/dbraw/zinc/03/39/92/1067033992.db2.gz IPRFAQNZFMVXPP-QPPBQGQZSA-N 1 0 496.700 4.655 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001545756959 1067034910 /nfs/dbraw/zinc/03/49/10/1067034910.db2.gz QPSQCHABSNTTCA-ATIYNZHBSA-N 1 0 480.701 4.532 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H](OC)C(C)C)c1ccccc1 ZINC001545756848 1067035000 /nfs/dbraw/zinc/03/50/00/1067035000.db2.gz PEKZGBQBDCRAFI-SDUSCBPUSA-N 1 0 453.675 4.802 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001545756961 1067035168 /nfs/dbraw/zinc/03/51/68/1067035168.db2.gz QPSQCHABSNTTCA-GJZUVCINSA-N 1 0 480.701 4.532 20 0 JJADRO CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)[NH+]1CCCCC1 ZINC001449898884 1067035468 /nfs/dbraw/zinc/03/54/68/1067035468.db2.gz KKYNFDNZPDLIRY-GMKZXUHWSA-N 1 0 475.649 4.793 20 0 JJADRO CC[NH+](CC)CCN(C(=O)C[C@@H](NC(C)=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC001458347648 1067038033 /nfs/dbraw/zinc/03/80/33/1067038033.db2.gz JDQAWLXUIDQFKQ-LJQANCHMSA-N 1 0 455.546 4.709 20 0 JJADRO COc1ccc([C@H](OC)[C@@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001458348663 1067038307 /nfs/dbraw/zinc/03/83/07/1067038307.db2.gz LBIHXCFBSFJTJU-CBTSXZFNSA-N 1 0 450.623 4.826 20 0 JJADRO COc1ccc([C@H](OC)[C@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001458348670 1067038646 /nfs/dbraw/zinc/03/86/46/1067038646.db2.gz LBIHXCFBSFJTJU-MPKDPQEWSA-N 1 0 450.623 4.826 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1Cc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545758682 1067039810 /nfs/dbraw/zinc/03/98/10/1067039810.db2.gz LKCIPWOZNJXIFV-RXVVDRJESA-N 1 0 472.559 4.813 20 0 JJADRO CC[C@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545758827 1067040515 /nfs/dbraw/zinc/04/05/15/1067040515.db2.gz NPIAZPMXRVSBDA-QFIPXVFZSA-N 1 0 492.634 4.769 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCC1(COC)CCCC1)c1ccccc1 ZINC001545759253 1067041373 /nfs/dbraw/zinc/04/13/73/1067041373.db2.gz VDOUSNLLYCNTHG-VWNXMTODSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759372 1067041800 /nfs/dbraw/zinc/04/18/00/1067041800.db2.gz XECBUDFMYWMLAI-QPTUXGOLSA-N 1 0 485.742 4.756 20 0 JJADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021654 1067042115 /nfs/dbraw/zinc/04/21/15/1067042115.db2.gz OMVSJAILOYNOCK-NQIIRXRSSA-N 1 0 453.435 4.790 20 0 JJADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021649 1067042159 /nfs/dbraw/zinc/04/21/59/1067042159.db2.gz OMVSJAILOYNOCK-GHTZIAJQSA-N 1 0 453.435 4.790 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545759340 1067042131 /nfs/dbraw/zinc/04/21/31/1067042131.db2.gz WNKVVJIIGDOKEH-FYYLOGMGSA-N 1 0 492.634 4.769 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546099785 1067043036 /nfs/dbraw/zinc/04/30/36/1067043036.db2.gz MOPIVQJFUKTYSQ-NDEPHWFRSA-N 1 0 483.701 4.892 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545760924 1067044043 /nfs/dbraw/zinc/04/40/43/1067044043.db2.gz KQFJYTJELTXZOI-NJDAHSKKSA-N 1 0 479.591 4.708 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545760926 1067044072 /nfs/dbraw/zinc/04/40/72/1067044072.db2.gz KQFJYTJELTXZOI-QHAWAJNXSA-N 1 0 479.591 4.708 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545760923 1067044190 /nfs/dbraw/zinc/04/41/90/1067044190.db2.gz KQFJYTJELTXZOI-HKBOAZHASA-N 1 0 479.591 4.708 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](CC)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001546019108 1067044834 /nfs/dbraw/zinc/04/48/34/1067044834.db2.gz OLDSVRWKZSVYKY-NAMDQGSHSA-N 1 0 487.664 4.724 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545763306 1067046888 /nfs/dbraw/zinc/04/68/88/1067046888.db2.gz GTBBKYWMEMMRKW-ZLZBJJAKSA-N 1 0 497.728 4.962 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCOCC2(CC2)C1)[NH+](C)C ZINC001545764003 1067048203 /nfs/dbraw/zinc/04/82/03/1067048203.db2.gz PHGUSPWGOFQKOQ-RPWUZVMVSA-N 1 0 453.675 4.803 20 0 JJADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cc(Cl)nc4ccccc43)cc2)C[C@@H]1C ZINC001458389073 1067048661 /nfs/dbraw/zinc/04/86/61/1067048661.db2.gz ACIFQNUPNRXQMB-OALUTQOASA-N 1 0 451.998 4.827 20 0 JJADRO CC[C@@H](c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545764678 1067049530 /nfs/dbraw/zinc/04/95/30/1067049530.db2.gz ZRLURYCDFHSTES-CQOQZXRMSA-N 1 0 453.675 4.944 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546100177 1067049600 /nfs/dbraw/zinc/04/96/00/1067049600.db2.gz UNOLRWHOIYNYGZ-JWZKTCGFSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1cc(O[C@@H](C)C(=O)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)ccc1Cl ZINC001458396078 1067050539 /nfs/dbraw/zinc/05/05/39/1067050539.db2.gz NSCVUDCRGWTPPJ-HBMCJLEFSA-N 1 0 459.030 4.741 20 0 JJADRO Cc1ccc(-c2cncc(C(=O)NCCc3ccc(OCC[N@H+]4C[C@H](C)[C@H](C)C4)cc3)c2)cc1 ZINC001458397065 1067051282 /nfs/dbraw/zinc/05/12/82/1067051282.db2.gz PEGDBHKQSFPQLP-ZRZAMGCNSA-N 1 0 457.618 4.996 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[N@@H+]2CCC[C@@H]2C)CCO1 ZINC001546100252 1067051927 /nfs/dbraw/zinc/05/19/27/1067051927.db2.gz VTCKVNPLYMTSIC-HFZDXXHNSA-N 1 0 490.092 4.741 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C3(c4cccc(F)c4)CCCC3)cc2)C[C@H]1C ZINC001458398366 1067052132 /nfs/dbraw/zinc/05/21/32/1067052132.db2.gz RXWJVXONQQMYGS-FGZHOGPDSA-N 1 0 452.614 4.963 20 0 JJADRO CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)Oc1ccccc1F ZINC001546019591 1067052590 /nfs/dbraw/zinc/05/25/90/1067052590.db2.gz YKHNPTPAXYJQOM-XUZZJYLKSA-N 1 0 473.637 4.683 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546100342 1067054990 /nfs/dbraw/zinc/05/49/90/1067054990.db2.gz XFTGWDJLGKQFFY-LBNVMWSVSA-N 1 0 467.702 4.827 20 0 JJADRO COc1ccccc1OCCC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001450157992 1067055873 /nfs/dbraw/zinc/05/58/73/1067055873.db2.gz WRQYEZFIIUPGRH-RUZDIDTESA-N 1 0 459.590 4.553 20 0 JJADRO C[NH+](C)CCOc1cc(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)ccn1 ZINC001458423405 1067057531 /nfs/dbraw/zinc/05/75/31/1067057531.db2.gz UAHBNIHTTLMIBM-UHFFFAOYSA-N 1 0 451.379 4.634 20 0 JJADRO COc1ccc([C@@H](O)C2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)CC2)cc1 ZINC001450193229 1067058152 /nfs/dbraw/zinc/05/81/52/1067058152.db2.gz HNHYJXVNKWEXLZ-BIYCFNCWSA-N 1 0 464.650 4.762 20 0 JJADRO COc1ccc(Br)cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458447259 1067062947 /nfs/dbraw/zinc/06/29/47/1067062947.db2.gz KPYREPLZYHWMJK-ORAYPTAESA-N 1 0 455.755 4.673 20 0 JJADRO COc1ccc(CC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1OC ZINC001458446458 1067063280 /nfs/dbraw/zinc/06/32/80/1067063280.db2.gz GUWXXHZJPBOOJQ-BTYIYWSLSA-N 1 0 455.357 4.501 20 0 JJADRO C[C@H](NC(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(C2CC2)c1 ZINC001450245184 1067064022 /nfs/dbraw/zinc/06/40/22/1067064022.db2.gz HYIJKQMDKKZJEO-CYFREDJKSA-N 1 0 451.611 4.767 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448997 1067064239 /nfs/dbraw/zinc/06/42/39/1067064239.db2.gz QVPFNPVUFCDQPL-QRWLVFNGSA-N 1 0 452.357 4.739 20 0 JJADRO COc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1Br ZINC001458450456 1067065134 /nfs/dbraw/zinc/06/51/34/1067065134.db2.gz VERPCQZAIAKBPI-AUUYWEPGSA-N 1 0 455.755 4.673 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OCc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458452009 1067066543 /nfs/dbraw/zinc/06/65/43/1067066543.db2.gz ZEOBQOQKNVQNFS-DVECYGJZSA-N 1 0 453.945 4.876 20 0 JJADRO C[C@@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001450267738 1067067117 /nfs/dbraw/zinc/06/71/17/1067067117.db2.gz GKLSQRUETZFJAS-MRXNPFEDSA-N 1 0 454.924 4.533 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)/C=C(/C)c2cccs2)cc1OC ZINC001458467703 1067069674 /nfs/dbraw/zinc/06/96/74/1067069674.db2.gz IPVADJUKHNKPRQ-QINSGFPZSA-N 1 0 450.004 4.524 20 0 JJADRO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C)SC ZINC001545777679 1067071879 /nfs/dbraw/zinc/07/18/79/1067071879.db2.gz JTHXRYXXIPRLFY-OAQYLSRUSA-N 1 0 466.699 4.916 20 0 JJADRO CCC(O)(CC)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001546022542 1067077727 /nfs/dbraw/zinc/07/77/27/1067077727.db2.gz HOUWMTBLQYDOCK-UNMCSNQZSA-N 1 0 490.092 4.914 20 0 JJADRO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OC ZINC001545784409 1067080516 /nfs/dbraw/zinc/08/05/16/1067080516.db2.gz SHYPTFJBUXEGBQ-ISKFKSNPSA-N 1 0 475.722 4.858 20 0 JJADRO CCC(O)(CC)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001546022883 1067081613 /nfs/dbraw/zinc/08/16/13/1067081613.db2.gz QCXLOIWSRHWAJO-OAQYLSRUSA-N 1 0 487.664 4.811 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1 ZINC001450471234 1067083136 /nfs/dbraw/zinc/08/31/36/1067083136.db2.gz PLJKPXNDVLOUNA-UHFFFAOYSA-N 1 0 453.583 4.910 20 0 JJADRO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)OC ZINC001545789784 1067086555 /nfs/dbraw/zinc/08/65/55/1067086555.db2.gz TVWSNZHFSNRCNJ-ISKFKSNPSA-N 1 0 468.690 4.560 20 0 JJADRO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC001450546832 1067089480 /nfs/dbraw/zinc/08/94/80/1067089480.db2.gz RGEBMEPXZIZIHY-DHLKQENFSA-N 1 0 452.643 4.700 20 0 JJADRO CC(C)Oc1ccc([C@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)[NH+](C)C)cc1 ZINC001450550798 1067089938 /nfs/dbraw/zinc/08/99/38/1067089938.db2.gz VJVIFJIVTFOKIQ-QFIPXVFZSA-N 1 0 451.592 4.820 20 0 JJADRO CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)OC ZINC001545792493 1067090238 /nfs/dbraw/zinc/09/02/38/1067090238.db2.gz BUCLRKZGJPKIHQ-HSZRJFAPSA-N 1 0 469.674 4.744 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)CCO1 ZINC001546102148 1067096412 /nfs/dbraw/zinc/09/64/12/1067096412.db2.gz SBPCGIOTASHRHW-XMMPIXPASA-N 1 0 476.065 4.780 20 0 JJADRO CC1([NH+]2CCCC2)CCC(Nc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)CC1 ZINC001458627320 1067098329 /nfs/dbraw/zinc/09/83/29/1067098329.db2.gz VNJCRWBROBAIRP-UHFFFAOYSA-N 1 0 455.912 4.509 20 0 JJADRO Cc1ccc(NC(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)cc1NC(=O)CC[NH+](C)C ZINC001458641381 1067099331 /nfs/dbraw/zinc/09/93/31/1067099331.db2.gz ADVXOHLHTBCSLH-UHFFFAOYSA-N 1 0 454.571 4.509 20 0 JJADRO Cc1nn(-c2ccc(C(=O)Nc3ccc(C)c(NC(=O)CC[NH+](C)C)c3)cc2)c(C)c1Cl ZINC001458641549 1067099475 /nfs/dbraw/zinc/09/94/75/1067099475.db2.gz BFCPWKDLCREUAV-UHFFFAOYSA-N 1 0 453.974 4.593 20 0 JJADRO CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546102507 1067099492 /nfs/dbraw/zinc/09/94/92/1067099492.db2.gz ZGDMNXSNIXVGBC-NTWACIBNSA-N 1 0 475.703 4.566 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634031 1067099644 /nfs/dbraw/zinc/09/96/44/1067099644.db2.gz WDKQNAGOTYLPIS-JTSKRJEESA-N 1 0 456.011 4.555 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccc(F)cc1 ZINC001450700254 1067106704 /nfs/dbraw/zinc/10/67/04/1067106704.db2.gz IXSRYTAGYZFIOK-IBGZPJMESA-N 1 0 452.313 4.732 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2cc(Cl)c(F)cc2N)CC1 ZINC001450700166 1067106868 /nfs/dbraw/zinc/10/68/68/1067106868.db2.gz MDTRDIMFSMFTHF-UHFFFAOYSA-N 1 0 454.771 4.560 20 0 JJADRO COc1cccc([C@@H]2C[C@H]2C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)c1 ZINC001450703229 1067107605 /nfs/dbraw/zinc/10/76/05/1067107605.db2.gz VLWBQEXXZBNNJR-FCHUYYIVSA-N 1 0 457.412 4.684 20 0 JJADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001450705810 1067108154 /nfs/dbraw/zinc/10/81/54/1067108154.db2.gz KBFSCDIYDUKPSI-FYYLOGMGSA-N 1 0 455.643 4.995 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)[NH+](C)C ZINC001545803210 1067112713 /nfs/dbraw/zinc/11/27/13/1067112713.db2.gz JROIEYMPAAVZOY-IBGZPJMESA-N 1 0 469.600 4.825 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1)[NH+](C)C ZINC001545804749 1067116092 /nfs/dbraw/zinc/11/60/92/1067116092.db2.gz AWYIZFGSUOCWGL-RUZDIDTESA-N 1 0 450.631 4.737 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1)[NH+](C)C ZINC001545804752 1067116132 /nfs/dbraw/zinc/11/61/32/1067116132.db2.gz AYOBHLWQLYUXIF-HSQYWUDLSA-N 1 0 492.506 4.935 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC001545804807 1067116224 /nfs/dbraw/zinc/11/62/24/1067116224.db2.gz BSMNDEUYTZJQFA-HSZRJFAPSA-N 1 0 494.684 4.752 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1)[NH+](C)C ZINC001545804753 1067116255 /nfs/dbraw/zinc/11/62/55/1067116255.db2.gz AYOBHLWQLYUXIF-VOQZNFBZSA-N 1 0 492.506 4.935 20 0 JJADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1)[NH+](C)C ZINC001545804750 1067116324 /nfs/dbraw/zinc/11/63/24/1067116324.db2.gz AWYIZFGSUOCWGL-VWLOTQADSA-N 1 0 450.631 4.737 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545804905 1067116927 /nfs/dbraw/zinc/11/69/27/1067116927.db2.gz DPUSAGGBODDKEQ-AUSIDOKSSA-N 1 0 491.627 4.920 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+](C)C ZINC001545805047 1067118317 /nfs/dbraw/zinc/11/83/17/1067118317.db2.gz HBHSEQUODZSUFN-JOCHJYFZSA-N 1 0 489.108 4.660 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001545805306 1067118973 /nfs/dbraw/zinc/11/89/73/1067118973.db2.gz LEMCMNANOIYYLN-VWEIPLKFSA-N 1 0 487.664 4.929 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCSC2)C1)[NH+](C)C ZINC001545805381 1067119722 /nfs/dbraw/zinc/11/97/22/1067119722.db2.gz MIFPZIIHCQXAGW-DHLKQENFSA-N 1 0 457.688 4.654 20 0 JJADRO CCC(CC)[C@H](Cn1c(C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001545805502 1067119775 /nfs/dbraw/zinc/11/97/75/1067119775.db2.gz OHNJKQDWNGQRDW-UXHICEINSA-N 1 0 454.432 4.862 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCOC[C@H]1C)[NH+](C)C ZINC001545805534 1067120192 /nfs/dbraw/zinc/12/01/92/1067120192.db2.gz OUTSCEAJCBXAIT-WIYYLYMNSA-N 1 0 459.704 4.867 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CO)CC1)[NH+](C)C ZINC001545805727 1067120968 /nfs/dbraw/zinc/12/09/68/1067120968.db2.gz REFCYJVPHDJZOM-PGRDOPGGSA-N 1 0 473.731 4.707 20 0 JJADRO CC(C)Cc1ccc([C@@H](CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)[NH+](C)C)cc1 ZINC001450786933 1067120962 /nfs/dbraw/zinc/12/09/62/1067120962.db2.gz NWVKBUIUASFJEW-AREMUKBSSA-N 1 0 455.606 4.711 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C2CCC1(C)CC2)[NH+](C)C ZINC001545805909 1067121662 /nfs/dbraw/zinc/12/16/62/1067121662.db2.gz USAVUQSHHZCTSJ-IMYXXEESSA-N 1 0 463.468 4.923 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C)C1)[NH+](C)C ZINC001545806145 1067122961 /nfs/dbraw/zinc/12/29/61/1067122961.db2.gz ZTWCYRAQESZLMM-JXFKEZNVSA-N 1 0 465.484 4.649 20 0 JJADRO C[C@H]1[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001450806774 1067124251 /nfs/dbraw/zinc/12/42/51/1067124251.db2.gz WVIDEPXKJUJTCY-PZJWPPBQSA-N 1 0 454.640 4.592 20 0 JJADRO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001450810001 1067125120 /nfs/dbraw/zinc/12/51/20/1067125120.db2.gz YTQNGRLJWCUYJB-LAUBAEHRSA-N 1 0 451.567 4.841 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C)C1)[NH+](C)C ZINC001545807308 1067125119 /nfs/dbraw/zinc/12/51/19/1067125119.db2.gz FZUJFMPTUGOCNY-OXJNMPFZSA-N 1 0 466.095 4.915 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(C)C)C1)[NH+](C)C ZINC001545807348 1067125535 /nfs/dbraw/zinc/12/55/35/1067125535.db2.gz GUKWRMWZIRILDU-FGZHOGPDSA-N 1 0 492.506 4.935 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](COC)C1)[NH+](C)C ZINC001545807320 1067125547 /nfs/dbraw/zinc/12/55/47/1067125547.db2.gz GDKARAFVVATRGB-KKSFZXQISA-N 1 0 452.018 4.577 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@H](C)[C@@H]1C)[NH+](C)C ZINC001545807380 1067125559 /nfs/dbraw/zinc/12/55/59/1067125559.db2.gz HERXXHUGZIAXOU-SVMVAKDDSA-N 1 0 475.703 4.659 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(=O)OC)C1)[NH+](C)C ZINC001545807694 1067127417 /nfs/dbraw/zinc/12/74/17/1067127417.db2.gz MRELNRBDQZTDOP-OXJNMPFZSA-N 1 0 482.456 4.618 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(C)C)[NH+]1CCOCC1 ZINC001545807726 1067127567 /nfs/dbraw/zinc/12/75/67/1067127567.db2.gz NGCORJXALPCOSU-VWLOTQADSA-N 1 0 464.658 4.723 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001545807780 1067128651 /nfs/dbraw/zinc/12/86/51/1067128651.db2.gz OEFYYUKMJGJNBQ-VWKPWSFCSA-N 1 0 496.469 4.827 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C1CC1)[NH+]1CCOCC1 ZINC001545807776 1067128756 /nfs/dbraw/zinc/12/87/56/1067128756.db2.gz ODCSWEUQJYFITB-QFIPXVFZSA-N 1 0 490.490 4.833 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001545807881 1067129455 /nfs/dbraw/zinc/12/94/55/1067129455.db2.gz PDIJASDHJCBWAN-IEZKXTBUSA-N 1 0 494.728 4.571 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001450837846 1067129486 /nfs/dbraw/zinc/12/94/86/1067129486.db2.gz RJQZBHBSOMBTRH-ISKFKSNPSA-N 1 0 451.611 4.671 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccoc1C)[NH+]1CCOCC1 ZINC001545807876 1067129680 /nfs/dbraw/zinc/12/96/80/1067129680.db2.gz PBWNKJGNVPHXCB-QFIPXVFZSA-N 1 0 487.048 4.668 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001545807973 1067130969 /nfs/dbraw/zinc/13/09/69/1067130969.db2.gz QGZBOLJHIZDSIN-NVVNDHSNSA-N 1 0 490.092 4.738 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001545808003 1067131083 /nfs/dbraw/zinc/13/10/83/1067131083.db2.gz QRFQHRQTPCMWFS-UIAACRFSSA-N 1 0 466.443 4.868 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)NC)C1)[NH+](C)C ZINC001545808136 1067131572 /nfs/dbraw/zinc/13/15/72/1067131572.db2.gz SWWADTKPZKBVGJ-LAUBAEHRSA-N 1 0 495.499 4.581 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)NC)C1)[NH+](C)C ZINC001545808135 1067131691 /nfs/dbraw/zinc/13/16/91/1067131691.db2.gz SWWADTKPZKBVGJ-DYESRHJHSA-N 1 0 495.499 4.581 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001545808097 1067131698 /nfs/dbraw/zinc/13/16/98/1067131698.db2.gz SHDAUAHCURJQTE-DEOSSOPVSA-N 1 0 466.699 4.695 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](COC)C1)[NH+](C)C ZINC001545808216 1067132936 /nfs/dbraw/zinc/13/29/36/1067132936.db2.gz UXMKCMJPPUSZKO-WIYYLYMNSA-N 1 0 463.070 4.613 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(=O)NC)CC1)[NH+](C)C ZINC001545808459 1067134506 /nfs/dbraw/zinc/13/45/06/1067134506.db2.gz ZGFVOTJUWAFJSP-RUZDIDTESA-N 1 0 496.744 4.962 20 0 JJADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)c1 ZINC001545808527 1067135131 /nfs/dbraw/zinc/13/51/31/1067135131.db2.gz BALHOSPPTPAXNO-UHFFFAOYSA-N 1 0 454.308 4.831 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545808478 1067135162 /nfs/dbraw/zinc/13/51/62/1067135162.db2.gz ZSUOFLYKBHDNIH-XMMPIXPASA-N 1 0 497.684 4.646 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC001545809544 1067136225 /nfs/dbraw/zinc/13/62/25/1067136225.db2.gz FXRJDFYMCIVWLT-FQEVSTJZSA-N 1 0 467.992 4.581 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Br)o1)[NH+](C)C ZINC001545810138 1067137586 /nfs/dbraw/zinc/13/75/86/1067137586.db2.gz QJUISSUZPZVKNL-GOSISDBHSA-N 1 0 463.424 4.632 20 0 JJADRO CC[N@@H+]1CCCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC001450975627 1067137741 /nfs/dbraw/zinc/13/77/41/1067137741.db2.gz JJVUJUMRTZXVHE-KRWDZBQOSA-N 1 0 458.400 4.566 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1)[NH+](C)C ZINC001545810543 1067138875 /nfs/dbraw/zinc/13/88/75/1067138875.db2.gz YAQRSJGFDPJYFL-DNQXCXABSA-N 1 0 486.611 4.506 20 0 JJADRO CN(C/C=C\C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC001451026835 1067139907 /nfs/dbraw/zinc/13/99/07/1067139907.db2.gz BKINXMMGTXBUJY-GKBVLGDDSA-N 1 0 451.577 4.720 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC1(C)C)[NH+](C)C ZINC001545811932 1067140066 /nfs/dbraw/zinc/14/00/66/1067140066.db2.gz FQQWCIDZIMGMFH-QHCPKHFHSA-N 1 0 493.700 4.981 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC1CCCCC1)[NH+](C)C ZINC001545812314 1067140661 /nfs/dbraw/zinc/14/06/61/1067140661.db2.gz LYOZMXARGJUXIZ-QHCPKHFHSA-N 1 0 479.673 4.977 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H]1CCSC1)[NH+](C)C ZINC001545812851 1067141306 /nfs/dbraw/zinc/14/13/06/1067141306.db2.gz WIYJPOZESGTQJB-IFMALSPDSA-N 1 0 468.671 4.908 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545812875 1067141880 /nfs/dbraw/zinc/14/18/80/1067141880.db2.gz WTCWNECVBUWYKW-SIKLNZKXSA-N 1 0 476.710 4.605 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001546028118 1067141931 /nfs/dbraw/zinc/14/19/31/1067141931.db2.gz XBFTXRBLWLNPTF-GMAHTHKFSA-N 1 0 469.674 4.594 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC001545814399 1067142516 /nfs/dbraw/zinc/14/25/16/1067142516.db2.gz AQWAPYNFPWKIAO-SDUSCBPUSA-N 1 0 469.674 4.507 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001451050059 1067144170 /nfs/dbraw/zinc/14/41/70/1067144170.db2.gz TWQNJKHKNOQSNI-ISJGIBHGSA-N 1 0 481.612 4.700 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1)[NH+](C)C ZINC001545815150 1067144140 /nfs/dbraw/zinc/14/41/40/1067144140.db2.gz MXGXQQZVROAQMD-CCDWMCETSA-N 1 0 468.690 4.967 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCN(c2cc(F)ccc2F)CC1)[NH+](C)C ZINC001545815175 1067144205 /nfs/dbraw/zinc/14/42/05/1067144205.db2.gz NASDOKDQCRGCIS-QHCPKHFHSA-N 1 0 460.617 4.517 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC001545815468 1067144645 /nfs/dbraw/zinc/14/46/45/1067144645.db2.gz QTFPZYYTUZKFLK-DENIHFKCSA-N 1 0 473.735 4.642 20 0 JJADRO COc1ccc(CCNc2nnc(S[C@H]3CC[N@H+](Cc4ccccc4)C3)s2)cc1OC ZINC001458784672 1067146084 /nfs/dbraw/zinc/14/60/84/1067146084.db2.gz VFGCPCVHKBXDJZ-IBGZPJMESA-N 1 0 456.637 4.577 20 0 JJADRO CC[C@H](C)n1c(SCC(=O)Nc2ccc(C[NH+](C)C)cc2OC)nnc1-c1ccccc1 ZINC001451097228 1067146185 /nfs/dbraw/zinc/14/61/85/1067146185.db2.gz YDYVZXBJCODQMG-KRWDZBQOSA-N 1 0 453.612 4.717 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](Oc2ncccc2F)C1)[NH+](C)C ZINC001545817039 1067146513 /nfs/dbraw/zinc/14/65/13/1067146513.db2.gz CREKZORBXKMBDA-RBBKRZOGSA-N 1 0 474.669 4.815 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001451109233 1067146783 /nfs/dbraw/zinc/14/67/83/1067146783.db2.gz JUOYVJFLBOBPMF-XDWXJERXSA-N 1 0 495.639 4.993 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545817176 1067147287 /nfs/dbraw/zinc/14/72/87/1067147287.db2.gz FWSGJQJQQBDASI-SANMLTNESA-N 1 0 465.686 4.861 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N(C)[C@H]1CCc2ccccc21)[NH+]1CCOCC1 ZINC001545817177 1067147405 /nfs/dbraw/zinc/14/74/05/1067147405.db2.gz FXFBLQBHYFHCJY-DQEYMECFSA-N 1 0 453.675 4.737 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](SC)C1)[NH+](C)C ZINC001545817206 1067147443 /nfs/dbraw/zinc/14/74/43/1067147443.db2.gz GJMVBDUJLWESSP-SFTDATJTSA-N 1 0 464.749 4.722 20 0 JJADRO CCC1(CC)CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC001546103857 1067150061 /nfs/dbraw/zinc/15/00/61/1067150061.db2.gz YYXAQUXBJJSLEJ-UHFFFAOYSA-N 1 0 453.675 4.597 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001545817576 1067150028 /nfs/dbraw/zinc/15/00/28/1067150028.db2.gz LXIRXEPMKYDUAD-GOTSBHOMSA-N 1 0 459.654 4.626 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC001545817595 1067150386 /nfs/dbraw/zinc/15/03/86/1067150386.db2.gz MBMOZKIHCJZFIW-RTWAWAEBSA-N 1 0 471.694 4.878 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(C)cs2)CC1)[NH+](C)C ZINC001545817629 1067150454 /nfs/dbraw/zinc/15/04/54/1067150454.db2.gz MWGIPYVUCMBARV-DEOSSOPVSA-N 1 0 495.741 4.635 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCSC2)C1)[NH+](C)C ZINC001545817620 1067150470 /nfs/dbraw/zinc/15/04/70/1067150470.db2.gz MPXACMHYTPBJBC-WIOPSUGQSA-N 1 0 459.679 4.708 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(C)CC1)[NH+]1CCOCC1 ZINC001545817682 1067151153 /nfs/dbraw/zinc/15/11/53/1067151153.db2.gz OAUMMRATXJYHEV-XMMPIXPASA-N 1 0 471.665 4.771 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+](C)C ZINC001545817935 1067151769 /nfs/dbraw/zinc/15/17/69/1067151769.db2.gz SDUROIHQTPSBBJ-NFBKMPQASA-N 1 0 465.690 4.755 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545818003 1067152516 /nfs/dbraw/zinc/15/25/16/1067152516.db2.gz UDPBFXMMCAWGBG-LOSJGSFVSA-N 1 0 497.087 4.862 20 0 JJADRO Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)cc2)ccc1F ZINC001451189449 1067152796 /nfs/dbraw/zinc/15/27/96/1067152796.db2.gz ADTJMMCXRHJTOV-UHFFFAOYSA-N 1 0 455.555 4.557 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2CCCO2)CC1)[NH+](C)C ZINC001545818320 1067153193 /nfs/dbraw/zinc/15/31/93/1067153193.db2.gz ZPGHEXJTZRICBT-JWQCQUIFSA-N 1 0 471.665 4.770 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001545819201 1067153240 /nfs/dbraw/zinc/15/32/40/1067153240.db2.gz BNYXKRBDCIFMFS-MPCSADPFSA-N 1 0 476.710 4.507 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001545819348 1067154322 /nfs/dbraw/zinc/15/43/22/1067154322.db2.gz DKQVNXNRUCQPNM-RVPFZPFESA-N 1 0 490.737 4.898 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N(C)[C@@H]2CCc3ccccc32)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819354 1067154359 /nfs/dbraw/zinc/15/43/59/1067154359.db2.gz DNHGLBDZVBQJJG-DNQXCXABSA-N 1 0 453.675 4.836 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001545819614 1067155411 /nfs/dbraw/zinc/15/54/11/1067155411.db2.gz JIFFNDLNACERDA-UWJYYQICSA-N 1 0 466.095 4.819 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001545819638 1067155511 /nfs/dbraw/zinc/15/55/11/1067155511.db2.gz JVHCRZLWHXVLPS-VJBMBRPKSA-N 1 0 490.737 4.727 20 0 JJADRO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001451254679 1067156479 /nfs/dbraw/zinc/15/64/79/1067156479.db2.gz OGUPICGBQPOFOB-NFBKMPQASA-N 1 0 453.602 4.920 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCC(F)(F)CC1)[NH+]1CCOCC1 ZINC001545819885 1067156501 /nfs/dbraw/zinc/15/65/01/1067156501.db2.gz NWQZOFVCQLEOFQ-HSZRJFAPSA-N 1 0 491.627 4.538 20 0 JJADRO CCC(CC)[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001545820110 1067157114 /nfs/dbraw/zinc/15/71/14/1067157114.db2.gz RCQWPHAGBJDAQG-MZKRTTBSSA-N 1 0 459.704 4.859 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCOC2(CCC2)C1)[NH+](C)C ZINC001545820128 1067157128 /nfs/dbraw/zinc/15/71/28/1067157128.db2.gz RJLFJMQQXCEJTA-QHCPKHFHSA-N 1 0 469.674 4.600 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001545820112 1067157160 /nfs/dbraw/zinc/15/71/60/1067157160.db2.gz RCQWPHAGBJDAQG-ZRCGQRJVSA-N 1 0 459.704 4.859 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCCCCCC1)[NH+]1CCOCC1 ZINC001545820031 1067157195 /nfs/dbraw/zinc/15/71/95/1067157195.db2.gz QFMUMJUXKUTPHC-AREMUKBSSA-N 1 0 467.702 4.971 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545820025 1067157205 /nfs/dbraw/zinc/15/72/05/1067157205.db2.gz QCFGXZBBCVXEOY-UMFSSWHCSA-N 1 0 483.701 4.785 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CCC[C@H](c3noc(C4CC4)n3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820209 1067157861 /nfs/dbraw/zinc/15/78/61/1067157861.db2.gz SVDRWYQSNHYEDZ-PMACEKPBSA-N 1 0 457.667 4.586 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CCC[C@@H](c3noc(C4CC4)n3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820210 1067157935 /nfs/dbraw/zinc/15/79/35/1067157935.db2.gz SVDRWYQSNHYEDZ-UXHICEINSA-N 1 0 457.667 4.586 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1)[NH+](C)C ZINC001545820265 1067158474 /nfs/dbraw/zinc/15/84/74/1067158474.db2.gz UYBRMGCHQDPMMD-VXSCBNMQSA-N 1 0 476.710 4.652 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC001545820538 1067159986 /nfs/dbraw/zinc/15/99/86/1067159986.db2.gz ZMUSAUDDRNPIJT-LADGPHEKSA-N 1 0 469.674 4.600 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(C1)CCCOC2)[NH+](C)C ZINC001545820546 1067160550 /nfs/dbraw/zinc/16/05/50/1067160550.db2.gz ZQZSMHCJNCPSDL-LEAFIULHSA-N 1 0 483.701 4.847 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545821410 1067161250 /nfs/dbraw/zinc/16/12/50/1067161250.db2.gz CKGRUCMVWXOTJO-YTFSRNRJSA-N 1 0 476.065 4.727 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(Cl)cc2C1)[NH+](C)C ZINC001545821565 1067161621 /nfs/dbraw/zinc/16/16/21/1067161621.db2.gz GRWQZTNRHJPGHQ-ZTCOLXNVSA-N 1 0 490.092 4.585 20 0 JJADRO Cc1c(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)cnn1-c1ccccc1F ZINC001458836134 1067164276 /nfs/dbraw/zinc/16/42/76/1067164276.db2.gz MBRHBICARDTEHC-HSZRJFAPSA-N 1 0 456.512 4.944 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)on1 ZINC001545823387 1067166407 /nfs/dbraw/zinc/16/64/07/1067166407.db2.gz KWBUCECIWZYSGR-IRXDYDNUSA-N 1 0 472.037 4.852 20 0 JJADRO Cc1cc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c2cnn(C(C)C)c2n1 ZINC001458841199 1067167471 /nfs/dbraw/zinc/16/74/71/1067167471.db2.gz YCKDZILOCLSVKV-JOCHJYFZSA-N 1 0 455.553 4.944 20 0 JJADRO CC(C)Cn1ncc2cc(C(=O)N[C@H](c3ccc(F)c(F)c3)C(C)(C)[NH+]3CCCC3)cnc21 ZINC001458841228 1067168199 /nfs/dbraw/zinc/16/81/99/1067168199.db2.gz YTALONRVIJFCNZ-JOCHJYFZSA-N 1 0 455.553 4.711 20 0 JJADRO CCC(CC)c1cc(Cn2c(Cc3ccsc3)nnc2N2CCC([NH2+]C(C)C)CC2)on1 ZINC001545825156 1067171569 /nfs/dbraw/zinc/17/15/69/1067171569.db2.gz UQQFXAYPSIBXJM-UHFFFAOYSA-N 1 0 456.660 4.837 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001545826533 1067174613 /nfs/dbraw/zinc/17/46/13/1067174613.db2.gz PHPDCVNQNDTPAJ-GNMOFYLKSA-N 1 0 468.690 4.904 20 0 JJADRO CCC(CC)c1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)on1 ZINC001545826522 1067174626 /nfs/dbraw/zinc/17/46/26/1067174626.db2.gz OWNAUTKKHRDNTK-GOSISDBHSA-N 1 0 487.048 4.981 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545826742 1067175774 /nfs/dbraw/zinc/17/57/74/1067175774.db2.gz SNHABXUFBVSMOF-FCHUYYIVSA-N 1 0 468.690 4.823 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001545827000 1067177329 /nfs/dbraw/zinc/17/73/29/1067177329.db2.gz YQNPQCKGVFEBKB-WIYYLYMNSA-N 1 0 470.637 4.550 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001545827767 1067177775 /nfs/dbraw/zinc/17/77/75/1067177775.db2.gz AMSIRJVOLMLFOY-HXJXPZHGSA-N 1 0 454.663 4.514 20 0 JJADRO Cc1cccc2c1C[C@@H](C(=O)N1CCC(CCC[NH+]3CCCC3)CC1)N2C(=O)OC(C)(C)C ZINC001546032490 1067180416 /nfs/dbraw/zinc/18/04/16/1067180416.db2.gz VHZRGIMTVSPRQB-DEOSSOPVSA-N 1 0 455.643 4.776 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1Cc1cscc1C ZINC001545830209 1067180882 /nfs/dbraw/zinc/18/08/82/1067180882.db2.gz PCGSYEWMFFXXOG-UHFFFAOYSA-N 1 0 494.709 4.716 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCCS1 ZINC001545830394 1067181754 /nfs/dbraw/zinc/18/17/54/1067181754.db2.gz TWQPWHQKPSYFSA-RPWUZVMVSA-N 1 0 498.741 4.583 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001451637539 1067181864 /nfs/dbraw/zinc/18/18/64/1067181864.db2.gz HHLPQKAYYGQGIH-UDFWYERKSA-N 1 0 450.476 4.669 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)ccc2F)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001545833908 1067184204 /nfs/dbraw/zinc/18/42/04/1067184204.db2.gz PFTXBQHWOLZHFB-FQEVSTJZSA-N 1 0 486.680 4.791 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1CC[NH+]1CCCCCC1 ZINC001545833826 1067184244 /nfs/dbraw/zinc/18/42/44/1067184244.db2.gz LXQRMBNLNBBUJC-UHFFFAOYSA-N 1 0 479.044 4.501 20 0 JJADRO CCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c(OCCC)c1 ZINC001458879157 1067184406 /nfs/dbraw/zinc/18/44/06/1067184406.db2.gz RGBDSCLDWTVIAK-LOSJGSFVSA-N 1 0 459.675 4.673 20 0 JJADRO CN(C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001458881041 1067184812 /nfs/dbraw/zinc/18/48/12/1067184812.db2.gz UUCAJXTWYBJUHE-LPHRJVMESA-N 1 0 450.042 4.768 20 0 JJADRO COc1cc(NC(=O)CCSc2ccc(Br)cc2)ccc1OCC[NH+](C)C ZINC001451670178 1067185507 /nfs/dbraw/zinc/18/55/07/1067185507.db2.gz PVQZBDJQGYYPBX-UHFFFAOYSA-N 1 0 453.402 4.519 20 0 JJADRO COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)ccc1OCC[NH+](C)C ZINC001451668326 1067185644 /nfs/dbraw/zinc/18/56/44/1067185644.db2.gz LKVMIPDRXKXIDL-MOPGFXCFSA-N 1 0 451.592 4.934 20 0 JJADRO CC(C)OCCCn1c(=O)c2ccc(Cl)cc2nc1SCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001458895017 1067188879 /nfs/dbraw/zinc/18/88/79/1067188879.db2.gz NKDSALNTJCAMQU-ROUUACIJSA-N 1 0 452.064 4.935 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001545836632 1067190031 /nfs/dbraw/zinc/19/00/31/1067190031.db2.gz SWOUXARWGQDGNG-AFMDSPMNSA-N 1 0 489.108 4.997 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3s2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001545839130 1067192598 /nfs/dbraw/zinc/19/25/98/1067192598.db2.gz QPSDSJPDULPBBE-UHFFFAOYSA-N 1 0 497.713 4.707 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1 ZINC001451873954 1067195823 /nfs/dbraw/zinc/19/58/23/1067195823.db2.gz NBYRKGTZYYWGMI-SDHSZQHLSA-N 1 0 463.622 4.766 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001546104748 1067197713 /nfs/dbraw/zinc/19/77/13/1067197713.db2.gz HZDBFDMIXJHNMT-UHFFFAOYSA-N 1 0 491.627 4.798 20 0 JJADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001451970484 1067201670 /nfs/dbraw/zinc/20/16/70/1067201670.db2.gz YAVCFLVCKLXFEF-LJQANCHMSA-N 1 0 453.435 4.862 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001545849151 1067202528 /nfs/dbraw/zinc/20/25/28/1067202528.db2.gz LBZRQFPQCVNMNG-LEWJYISDSA-N 1 0 460.711 4.581 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001545849482 1067203106 /nfs/dbraw/zinc/20/31/06/1067203106.db2.gz PEIMIEHFUQKROR-URXFXBBRSA-N 1 0 480.701 4.906 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@H+](C)CCOC)C1 ZINC001546105088 1067207467 /nfs/dbraw/zinc/20/74/67/1067207467.db2.gz UPBBPVQXRNEUEU-LJQANCHMSA-N 1 0 459.704 4.726 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001546105196 1067211967 /nfs/dbraw/zinc/21/19/67/1067211967.db2.gz YJUYNFZKYWWLMD-UHFFFAOYSA-N 1 0 455.647 4.855 20 0 JJADRO CC[NH+]1CCC(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)(c2ccccc2)CC1 ZINC001452516876 1067230492 /nfs/dbraw/zinc/23/04/92/1067230492.db2.gz MTCQTWAFYWCETC-UHFFFAOYSA-N 1 0 459.413 4.893 20 0 JJADRO O=Cc1cc(Br)cc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001452528228 1067231585 /nfs/dbraw/zinc/23/15/85/1067231585.db2.gz AQVAZNHKAURONQ-UHFFFAOYSA-N 1 0 455.396 4.780 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC001452529353 1067232007 /nfs/dbraw/zinc/23/20/07/1067232007.db2.gz JQSUYZIGFNGVGV-HSZRJFAPSA-N 1 0 455.643 4.585 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001546106164 1067241759 /nfs/dbraw/zinc/24/17/59/1067241759.db2.gz LJUSOKRKMFKYFT-OAQYLSRUSA-N 1 0 467.614 4.875 20 0 JJADRO Cc1ccc(CC(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Br ZINC001452687725 1067243341 /nfs/dbraw/zinc/24/33/41/1067243341.db2.gz AWRRAAGRECVYNN-KDURUIRLSA-N 1 0 459.428 4.568 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3ccc(OCC(F)(F)F)cc3)cc2)C[C@H](C)O1 ZINC001452688251 1067243762 /nfs/dbraw/zinc/24/37/62/1067243762.db2.gz DKCLRXSVJOGIEL-HDICACEKSA-N 1 0 450.501 4.509 20 0 JJADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(I)c(Cl)c1)[NH+](C)C ZINC001459077909 1067246818 /nfs/dbraw/zinc/24/68/18/1067246818.db2.gz UVSSPCCMLLSDLN-FZKQIMNGSA-N 1 0 456.755 4.674 20 0 JJADRO C[C@H](C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001452752555 1067248585 /nfs/dbraw/zinc/24/85/85/1067248585.db2.gz DQLHDJCAPRZYTC-QHAWAJNXSA-N 1 0 453.602 4.721 20 0 JJADRO C[C@H]1Cc2ncn(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)nc3)c2C[C@@H]1C ZINC001459102270 1067250702 /nfs/dbraw/zinc/25/07/02/1067250702.db2.gz CNPZFOWQZIYPQQ-GJZGRUSLSA-N 1 0 455.356 4.842 20 0 JJADRO Cc1sc2ncnc(SCC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)[C@H]3C)c2c1C ZINC001452779553 1067251814 /nfs/dbraw/zinc/25/18/14/1067251814.db2.gz XVLKRQVGRMBYMJ-RYQLBKOJSA-N 1 0 454.665 4.910 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC1CCC1 ZINC001452818870 1067255788 /nfs/dbraw/zinc/25/57/88/1067255788.db2.gz OHGGUNKXYLVBHJ-QHCPKHFHSA-N 1 0 452.599 4.615 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001459139624 1067259116 /nfs/dbraw/zinc/25/91/16/1067259116.db2.gz BSOBIQMAPKGTGC-UPVQGACJSA-N 1 0 454.636 4.765 20 0 JJADRO O=C(CS[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccnn1Cc1ccccc1Cl ZINC001459141410 1067259586 /nfs/dbraw/zinc/25/95/86/1067259586.db2.gz KDMSWKBXSBYXSG-NRFANRHFSA-N 1 0 455.027 4.921 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546045315 1067259579 /nfs/dbraw/zinc/25/95/79/1067259579.db2.gz NLIVNPNYNRUUNT-QHWMMSMNSA-N 1 0 469.674 4.913 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2CCCCC2)CC1 ZINC001452926239 1067265038 /nfs/dbraw/zinc/26/50/38/1067265038.db2.gz AEDMMHBPDULIEO-DEOSSOPVSA-N 1 0 457.659 4.831 20 0 JJADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC001452967381 1067269224 /nfs/dbraw/zinc/26/92/24/1067269224.db2.gz BYJWUJKSHZLAIN-QGZVFWFLSA-N 1 0 455.318 4.857 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC001452980640 1067270172 /nfs/dbraw/zinc/27/01/72/1067270172.db2.gz YMEJVWGOLWNKSG-RDPSFJRHSA-N 1 0 451.611 4.661 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cc(Cl)ccc2Br)CC1 ZINC001459211589 1067272004 /nfs/dbraw/zinc/27/20/04/1067272004.db2.gz VFRZPIZGGNZJGB-UHFFFAOYSA-N 1 0 451.792 4.571 20 0 JJADRO CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CCC[C@]3(C)[C@H]2CC1 ZINC001453118617 1067280235 /nfs/dbraw/zinc/28/02/35/1067280235.db2.gz BXLBVHRNJPEWFP-KBJUPQRZSA-N 1 0 457.703 4.600 20 0 JJADRO COc1cccc(C[NH+]2CCC(NC(=O)c3cc(F)c(Br)c(Cl)c3)CC2)c1 ZINC001453151479 1067284256 /nfs/dbraw/zinc/28/42/56/1067284256.db2.gz WPOPVYUFYSAYMP-UHFFFAOYSA-N 1 0 455.755 4.645 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1[nH]c2ccccc2c1CC(=O)OC ZINC001453169036 1067285214 /nfs/dbraw/zinc/28/52/14/1067285214.db2.gz HJQMIKRZIGUXJV-UHFFFAOYSA-N 1 0 455.986 4.521 20 0 JJADRO CCOc1cccc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC001453263169 1067291980 /nfs/dbraw/zinc/29/19/80/1067291980.db2.gz NSLWFSCEUWZIJZ-LOSJGSFVSA-N 1 0 464.009 4.708 20 0 JJADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001459320236 1067294018 /nfs/dbraw/zinc/29/40/18/1067294018.db2.gz ARCTZVFQTNXLGV-HSZRJFAPSA-N 1 0 452.549 4.526 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2)C1 ZINC001453400556 1067304387 /nfs/dbraw/zinc/30/43/87/1067304387.db2.gz NRRGLWZONFIKJT-NFBKMPQASA-N 1 0 457.615 4.588 20 0 JJADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001453406535 1067304603 /nfs/dbraw/zinc/30/46/03/1067304603.db2.gz UFDPIUQRJYADJW-HXUWFJFHSA-N 1 0 451.014 4.972 20 0 JJADRO CC(C)[C@H]1CN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001453490775 1067308890 /nfs/dbraw/zinc/30/88/90/1067308890.db2.gz CSDCYDQGYORASY-XMMPIXPASA-N 1 0 451.611 4.797 20 0 JJADRO COc1cccc(S(=O)(=O)CC[N@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC001459388302 1067310840 /nfs/dbraw/zinc/31/08/40/1067310840.db2.gz AWLMZMQYLQIKED-YCRNBWNJSA-N 1 0 459.608 4.525 20 0 JJADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](Cc1ccc(-c2ccccc2C)s1)C(C)C ZINC001459387927 1067310893 /nfs/dbraw/zinc/31/08/93/1067310893.db2.gz GBLDCLKTUDKROO-UCQKPKSFSA-N 1 0 458.649 4.914 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(F)(F)c1cccc(Br)c1 ZINC001459416748 1067318950 /nfs/dbraw/zinc/31/89/50/1067318950.db2.gz NTOQOKHUUZHXHG-LJQANCHMSA-N 1 0 451.355 4.958 20 0 JJADRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cc(C)c(I)cc1C ZINC001459422530 1067320795 /nfs/dbraw/zinc/32/07/95/1067320795.db2.gz VWYYRVQNEYTASO-KRWDZBQOSA-N 1 0 451.348 4.719 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546108784 1067323223 /nfs/dbraw/zinc/32/32/23/1067323223.db2.gz KWFVEVCGEQSDID-PMACEKPBSA-N 1 0 475.628 4.663 20 0 JJADRO CC(C)c1ccc(CN(C(=O)C[NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001459451136 1067326421 /nfs/dbraw/zinc/32/64/21/1067326421.db2.gz QJLTXWFOPFGCFX-UHFFFAOYSA-N 1 0 457.659 4.880 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCc1ccccc1)C1CCCC1 ZINC001459453547 1067327057 /nfs/dbraw/zinc/32/70/57/1067327057.db2.gz MSZLIVPIROEXAY-UIOOFZCWSA-N 1 0 452.639 4.971 20 0 JJADRO O=C(CC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)Nc1ccc(Br)cc1 ZINC001459459115 1067329043 /nfs/dbraw/zinc/32/90/43/1067329043.db2.gz WSCHVRYHXSNZME-NRFANRHFSA-N 1 0 451.792 4.877 20 0 JJADRO O=C(C[N@@H+](Cc1ccccc1)CC1CCOCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001459483981 1067336150 /nfs/dbraw/zinc/33/61/50/1067336150.db2.gz PPDKCHWLPIJTNB-UHFFFAOYSA-N 1 0 457.546 4.956 20 0 JJADRO CC[C@@H]1C[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001459510677 1067341564 /nfs/dbraw/zinc/34/15/64/1067341564.db2.gz DARJFHJTTSHQBM-YTFSRNRJSA-N 1 0 459.631 4.755 20 0 JJADRO CCc1ccc(CN2CCN([C@@H](C)C(=O)Nc3nc(-c4ccc(F)cc4)cs3)CC2)s1 ZINC001459516811 1067343057 /nfs/dbraw/zinc/34/30/57/1067343057.db2.gz MYKJYAXCKZOZEZ-INIZCTEOSA-N 1 0 458.628 4.718 20 0 JJADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001459528957 1067345594 /nfs/dbraw/zinc/34/55/94/1067345594.db2.gz ZOEOIEQNXBPFJU-VQTJNVASSA-N 1 0 454.640 4.525 20 0 JJADRO COc1cc(C[N@H+](C)CCc2nc3sc4c(c3c(N)n2)CCCC4)c(SC)cc1OC ZINC001459532348 1067346714 /nfs/dbraw/zinc/34/67/14/1067346714.db2.gz XBVMEPHDYIRQHC-UHFFFAOYSA-N 1 0 458.653 4.566 20 0 JJADRO CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459554988 1067349920 /nfs/dbraw/zinc/34/99/20/1067349920.db2.gz BIIQKKQNURAQCK-AUZMWRNASA-N 1 0 451.611 4.594 20 0 JJADRO COc1ccc2c(c1)[C@@H]([N@@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1)CCO2 ZINC001459566563 1067353577 /nfs/dbraw/zinc/35/35/77/1067353577.db2.gz AYOBKBHWWHKRFZ-OALUTQOASA-N 1 0 459.340 4.505 20 0 JJADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cnn(Cc3ccccc3)c2Cl)CC1 ZINC001459596668 1067359941 /nfs/dbraw/zinc/35/99/41/1067359941.db2.gz WJPUSQIFRFEQFL-UHFFFAOYSA-N 1 0 452.002 4.615 20 0 JJADRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)C1 ZINC001459599954 1067360367 /nfs/dbraw/zinc/36/03/67/1067360367.db2.gz XHCCLTFXYHBTQB-DEOSSOPVSA-N 1 0 459.638 4.819 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001459605932 1067361158 /nfs/dbraw/zinc/36/11/58/1067361158.db2.gz DWLLZZFTSVJMSB-XMMPIXPASA-N 1 0 451.014 4.986 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546110464 1067362891 /nfs/dbraw/zinc/36/28/91/1067362891.db2.gz AJGUNULLUICKNY-KDURUIRLSA-N 1 0 474.719 4.538 20 0 JJADRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC[C@H]21 ZINC001459657876 1067373155 /nfs/dbraw/zinc/37/31/55/1067373155.db2.gz QVYPHIWONWGJRA-HTAPYJJXSA-N 1 0 458.400 4.596 20 0 JJADRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC[C@H]21 ZINC001459657878 1067373546 /nfs/dbraw/zinc/37/35/46/1067373546.db2.gz QVYPHIWONWGJRA-VGOFRKELSA-N 1 0 458.400 4.596 20 0 JJADRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](Cn2cccn2)c2ccccc2)cc1 ZINC001459668580 1067377686 /nfs/dbraw/zinc/37/76/86/1067377686.db2.gz LJDQSUHUWGIHTC-ISKFKSNPSA-N 1 0 450.583 4.531 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001546110968 1067377936 /nfs/dbraw/zinc/37/79/36/1067377936.db2.gz UHRYKJLBJQDVQU-QFIPXVFZSA-N 1 0 452.672 4.953 20 0 JJADRO C[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459668607 1067377972 /nfs/dbraw/zinc/37/79/72/1067377972.db2.gz LMHNHUNRUGSEMH-XMSQKQJNSA-N 1 0 459.575 4.555 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)[C@@H](C)C1 ZINC001459671942 1067379276 /nfs/dbraw/zinc/37/92/76/1067379276.db2.gz WTZCSELQTGIOOS-BKMJKUGQSA-N 1 0 459.638 4.757 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@H](c2ccc(CC(C)C)cc2)C(C)C)NC(=O)N[C@H]1c1ccco1 ZINC001459685630 1067383326 /nfs/dbraw/zinc/38/33/26/1067383326.db2.gz PHQXOJMHJVRFEE-ZEQRLZLVSA-N 1 0 453.583 4.636 20 0 JJADRO CC[C@@H](C)[N@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459698260 1067387249 /nfs/dbraw/zinc/38/72/49/1067387249.db2.gz YGJNPHSYVSQJBG-OAHLLOKOSA-N 1 0 457.372 4.727 20 0 JJADRO CCCCn1c(C[N@@H+]2CCC[C@H](C)[C@@H]2CCC)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459706941 1067389639 /nfs/dbraw/zinc/38/96/39/1067389639.db2.gz BZFYRUVJKFATEI-FPOVZHCZSA-N 1 0 451.615 4.548 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)C[C@H]3OCc4cc(Cl)ccc43)c(OCC)c2)CC1 ZINC001459710768 1067391646 /nfs/dbraw/zinc/39/16/46/1067391646.db2.gz QRUZGADIBFWBTI-HSZRJFAPSA-N 1 0 458.002 4.871 20 0 JJADRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC001459715507 1067393327 /nfs/dbraw/zinc/39/33/27/1067393327.db2.gz IIEKZXAUXZGIHK-CPJSRVTESA-N 1 0 452.595 4.861 20 0 JJADRO CC[C@H](NC(=O)C[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC001459714791 1067393364 /nfs/dbraw/zinc/39/33/64/1067393364.db2.gz BXMDBSNIZIBOPX-VWQFJMCTSA-N 1 0 452.039 4.971 20 0 JJADRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC001459715515 1067393450 /nfs/dbraw/zinc/39/34/50/1067393450.db2.gz IIEKZXAUXZGIHK-NBGIEHNGSA-N 1 0 452.595 4.861 20 0 JJADRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC001459717756 1067394585 /nfs/dbraw/zinc/39/45/85/1067394585.db2.gz PXKUGRJKTXZHFY-URXFXBBRSA-N 1 0 452.620 4.939 20 0 JJADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccc2c(c1)CCCC2 ZINC001459724839 1067396660 /nfs/dbraw/zinc/39/66/60/1067396660.db2.gz ZBOIRNSUQKUVPT-AZXNSQLWSA-N 1 0 457.659 4.756 20 0 JJADRO COc1ccc(F)cc1-c1cncc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC001459743133 1067402435 /nfs/dbraw/zinc/40/24/35/1067402435.db2.gz QVAAFVUYJOOTJD-UHFFFAOYSA-N 1 0 454.933 4.795 20 0 JJADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCC1)Nc1ccc(Br)cc1F ZINC001459746524 1067403964 /nfs/dbraw/zinc/40/39/64/1067403964.db2.gz AFVLSMBJTUENOD-UHFFFAOYSA-N 1 0 456.153 4.958 20 0 JJADRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001459747296 1067404401 /nfs/dbraw/zinc/40/44/01/1067404401.db2.gz JBCLNVDQEVGNAE-UHFFFAOYSA-N 1 0 459.631 4.717 20 0 JJADRO Cc1cc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)n(-c2ccc(C)cc2)n1 ZINC001459747340 1067404549 /nfs/dbraw/zinc/40/45/49/1067404549.db2.gz FEOOXSIDLBNPBM-UHFFFAOYSA-N 1 0 453.384 4.859 20 0 JJADRO COC(=O)Nc1ccc(CNC(=O)C[N@H+](Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)cc1 ZINC001459751359 1067406270 /nfs/dbraw/zinc/40/62/70/1067406270.db2.gz ZYHASFNRSSCJCC-SANMLTNESA-N 1 0 457.574 4.979 20 0 JJADRO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C[C@H](O)COCc1ccccc1 ZINC001459754517 1067407943 /nfs/dbraw/zinc/40/79/43/1067407943.db2.gz QVVKOEITCAKSRN-SFHVURJKSA-N 1 0 458.908 4.585 20 0 JJADRO CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001459757474 1067409843 /nfs/dbraw/zinc/40/98/43/1067409843.db2.gz UMYYEQSXNAJUIE-OAQYLSRUSA-N 1 0 458.400 4.825 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCN(c2cccc(F)c2F)CC1)c1cccc(C(F)(F)F)c1 ZINC001459759312 1067410872 /nfs/dbraw/zinc/41/08/72/1067410872.db2.gz FAHSJEVWCRPCIR-NRFANRHFSA-N 1 0 455.471 4.715 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c2ccccc2)cc1 ZINC001459762267 1067412464 /nfs/dbraw/zinc/41/24/64/1067412464.db2.gz HQSYMRAIZHBQOQ-QFQXNSOFSA-N 1 0 452.620 4.673 20 0 JJADRO O=C(C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459765926 1067413322 /nfs/dbraw/zinc/41/33/22/1067413322.db2.gz WWLSKALRDMVEMA-QFIPXVFZSA-N 1 0 450.476 4.624 20 0 JJADRO CC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001459771842 1067415606 /nfs/dbraw/zinc/41/56/06/1067415606.db2.gz MGDJCKZFEDQQEP-HXUWFJFHSA-N 1 0 452.595 4.547 20 0 JJADRO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1(C(N)=O)CCCC1 ZINC001459774396 1067416730 /nfs/dbraw/zinc/41/67/30/1067416730.db2.gz NDJUKBJGJHKCOE-UHFFFAOYSA-N 1 0 453.384 4.532 20 0 JJADRO O=C(C[N@H+]([C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1cnccn1 ZINC001459781002 1067418185 /nfs/dbraw/zinc/41/81/85/1067418185.db2.gz YZUYRTWCKQVMBV-QKPAOTATSA-N 1 0 452.443 4.959 20 0 JJADRO C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782405 1067419507 /nfs/dbraw/zinc/41/95/07/1067419507.db2.gz YPXVFKQFVHRFTF-OPYAIIAOSA-N 1 0 450.023 4.629 20 0 JJADRO CCCCc1ccc([C@@H]([NH2+]CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C(C)C)cc1 ZINC001459783662 1067420406 /nfs/dbraw/zinc/42/04/06/1067420406.db2.gz FALKWBSLEGBOTM-AMGIVPHBSA-N 1 0 455.687 4.813 20 0 JJADRO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C ZINC001459784842 1067421032 /nfs/dbraw/zinc/42/10/32/1067421032.db2.gz GNZKBFIBXFRYAO-LYZGTLIUSA-N 1 0 455.602 4.842 20 0 JJADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@H+](Cc1csc(Br)c1)C1CC1)O2 ZINC001459794671 1067426731 /nfs/dbraw/zinc/42/67/31/1067426731.db2.gz CJNUDTVNJGMIMW-MRXNPFEDSA-N 1 0 457.434 4.644 20 0 JJADRO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459797033 1067427683 /nfs/dbraw/zinc/42/76/83/1067427683.db2.gz NHFINHHGBRYAPL-XQXKNUKBSA-N 1 0 459.631 4.515 20 0 JJADRO COc1ccc(N=c2scc(C[N@@H+]3CCC[C@](C)(CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001459798533 1067428596 /nfs/dbraw/zinc/42/85/96/1067428596.db2.gz SUWPDFJRUBXRGN-FNZWTVRRSA-N 1 0 451.636 4.994 20 0 JJADRO O=C(C[N@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC001459798983 1067428613 /nfs/dbraw/zinc/42/86/13/1067428613.db2.gz WSUOTBVWMGMDCG-RUZDIDTESA-N 1 0 454.492 4.980 20 0 JJADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459810992 1067433233 /nfs/dbraw/zinc/43/32/33/1067433233.db2.gz UFHFXAJYACARCO-NZQKXSOJSA-N 1 0 454.014 4.759 20 0 JJADRO CCC[C@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459812189 1067433943 /nfs/dbraw/zinc/43/39/43/1067433943.db2.gz CIFYAVPNKFMTTF-GMAHTHKFSA-N 1 0 456.428 4.689 20 0 JJADRO CC(C)([C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001459816517 1067436019 /nfs/dbraw/zinc/43/60/19/1067436019.db2.gz WTCYQUNUNBEBLQ-FQEVSTJZSA-N 1 0 458.521 4.666 20 0 JJADRO CCC[C@H]1CN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459815861 1067436066 /nfs/dbraw/zinc/43/60/66/1067436066.db2.gz UUVYWFDPORNZII-LADGPHEKSA-N 1 0 457.565 4.770 20 0 JJADRO CN(C(=O)CN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)c1nc2ccccc2s1 ZINC001459817302 1067436451 /nfs/dbraw/zinc/43/64/51/1067436451.db2.gz ZTMZNWXMMGUYOW-QFIPXVFZSA-N 1 0 458.578 4.743 20 0 JJADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1 ZINC001459817065 1067436511 /nfs/dbraw/zinc/43/65/11/1067436511.db2.gz LFDMWGRWBSPMJR-NRFANRHFSA-N 1 0 456.530 4.815 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001546112101 1067439255 /nfs/dbraw/zinc/43/92/55/1067439255.db2.gz CTGYTUFZHNJMNA-OAQYLSRUSA-N 1 0 455.695 4.668 20 0 JJADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001459825342 1067440827 /nfs/dbraw/zinc/44/08/27/1067440827.db2.gz GRKRSYPPIXEPIW-SFHVURJKSA-N 1 0 450.352 4.626 20 0 JJADRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC001459825220 1067440851 /nfs/dbraw/zinc/44/08/51/1067440851.db2.gz JTOTZDYRBGOZTJ-FQEVSTJZSA-N 1 0 451.489 4.877 20 0 JJADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001459827752 1067441679 /nfs/dbraw/zinc/44/16/79/1067441679.db2.gz WEMHUHUWRLTFDL-HSZRJFAPSA-N 1 0 459.700 4.858 20 0 JJADRO COC(=O)c1cc(Br)c(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)cc1OC ZINC001459836637 1067446466 /nfs/dbraw/zinc/44/64/66/1067446466.db2.gz AZPBPLWGIYMTTM-BUXKBTBVSA-N 1 0 456.764 4.764 20 0 JJADRO COC(=O)c1cc(Br)c(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)cc1OC ZINC001459836640 1067446899 /nfs/dbraw/zinc/44/68/99/1067446899.db2.gz AZPBPLWGIYMTTM-CWTRNNRKSA-N 1 0 456.764 4.764 20 0 JJADRO COc1cc([C@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2C(F)(F)F)ccc1OCC(C)C ZINC001459840519 1067448035 /nfs/dbraw/zinc/44/80/35/1067448035.db2.gz IZYLMLNLZBSQNR-HNNXBMFYSA-N 1 0 456.480 4.855 20 0 JJADRO COc1ccc(CN2CCCN(C(=O)C[NH2+][C@H](CC(C)C)c3ccc(Cl)cc3)CC2)cc1 ZINC001459841249 1067448604 /nfs/dbraw/zinc/44/86/04/1067448604.db2.gz DYMRTXPNSWSTOU-RUZDIDTESA-N 1 0 458.046 4.760 20 0 JJADRO CC(C)(C)C[C@H]([NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC001459840990 1067448641 /nfs/dbraw/zinc/44/86/41/1067448641.db2.gz CIRFTLLNVVZUDP-QHCPKHFHSA-N 1 0 456.030 4.959 20 0 JJADRO C[N@H+](C[C@@H](O)CN[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br)C1CC1 ZINC001459842182 1067449070 /nfs/dbraw/zinc/44/90/70/1067449070.db2.gz FUBANWLUGOTIPN-BTYIYWSLSA-N 1 0 455.799 4.570 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[NH2+][C@H](COc3ccccc3F)C(C)(C)C)C2)C1 ZINC001459842168 1067449115 /nfs/dbraw/zinc/44/91/15/1067449115.db2.gz ZBLSNKKITKOEAL-IOZGHAEBSA-N 1 0 450.595 4.625 20 0 JJADRO CC(C)C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC001459841972 1067449121 /nfs/dbraw/zinc/44/91/21/1067449121.db2.gz MXCIFULJRSQMEO-HSZRJFAPSA-N 1 0 459.546 4.983 20 0 JJADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)cc1Br ZINC001459845789 1067451409 /nfs/dbraw/zinc/45/14/09/1067451409.db2.gz YWUOTTCSZFUZBI-LBPRGKRZSA-N 1 0 456.178 4.818 20 0 JJADRO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH2+][C@@H](C)C1CCOCC1 ZINC001459847210 1067452575 /nfs/dbraw/zinc/45/25/75/1067452575.db2.gz CLFSQPNDBSFTIB-AWEZNQCLSA-N 1 0 450.988 4.588 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc2ccccc2c1 ZINC001459847124 1067452583 /nfs/dbraw/zinc/45/25/83/1067452583.db2.gz CIWQWKDTUZOAPA-RPBOFIJWSA-N 1 0 450.579 4.573 20 0 JJADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)C1=O ZINC001459849691 1067454549 /nfs/dbraw/zinc/45/45/49/1067454549.db2.gz LJQGQPOEVCBNHE-IBGZPJMESA-N 1 0 452.357 4.726 20 0 JJADRO CC[C@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC001459849233 1067454666 /nfs/dbraw/zinc/45/46/66/1067454666.db2.gz BAJWIEUNOUJYCE-RXFKJLCSSA-N 1 0 450.623 4.817 20 0 JJADRO CC[C@H](C)[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459850860 1067456065 /nfs/dbraw/zinc/45/60/65/1067456065.db2.gz OLJDDRKVUWPTGM-UQBPGWFLSA-N 1 0 456.030 4.764 20 0 JJADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3cccc(-c4csc(C)n4)c3)ccc2NC1=O ZINC001459851789 1067456782 /nfs/dbraw/zinc/45/67/82/1067456782.db2.gz NKHIETCKFWUDAN-SZNDQCEHSA-N 1 0 450.564 4.517 20 0 JJADRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2Br)ccc1OCc1ccncc1 ZINC001459853995 1067458224 /nfs/dbraw/zinc/45/82/24/1067458224.db2.gz QLSMUSVUYGCTHL-KKSFZXQISA-N 1 0 457.368 4.816 20 0 JJADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2Br)ccc1OCc1ccncc1 ZINC001459853985 1067458311 /nfs/dbraw/zinc/45/83/11/1067458311.db2.gz QLSMUSVUYGCTHL-IERDGZPVSA-N 1 0 457.368 4.816 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001546112307 1067459888 /nfs/dbraw/zinc/45/98/88/1067459888.db2.gz MDNFERDBEBCOHP-XMMPIXPASA-N 1 0 483.701 4.991 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(N2CCOC2=O)cc1 ZINC001459866189 1067464146 /nfs/dbraw/zinc/46/41/46/1067464146.db2.gz FMCPUKQVRJAUOL-CABCVRRESA-N 1 0 454.527 4.584 20 0 JJADRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC001459867724 1067465363 /nfs/dbraw/zinc/46/53/63/1067465363.db2.gz LCTRIBBYESUTFB-VGOFRKELSA-N 1 0 459.512 4.674 20 0 JJADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC001459868958 1067465782 /nfs/dbraw/zinc/46/57/82/1067465782.db2.gz RTCBTXGBFPYZGN-NGOKVRLYSA-N 1 0 459.565 4.851 20 0 JJADRO Cc1cc(NC(=O)C[NH2+][C@H](COc2c(C)cccc2C)C(C)(C)C)n(-c2ccc(F)cc2)n1 ZINC001459869889 1067466171 /nfs/dbraw/zinc/46/61/71/1067466171.db2.gz MTCVXTXLAFYPRY-JOCHJYFZSA-N 1 0 452.574 4.958 20 0 JJADRO C[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)c1cccc(N2CCCC2=O)c1 ZINC001459870280 1067466869 /nfs/dbraw/zinc/46/68/69/1067466869.db2.gz YZULBVIKFFMKGS-MRXNPFEDSA-N 1 0 451.368 4.884 20 0 JJADRO COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459871314 1067467404 /nfs/dbraw/zinc/46/74/04/1067467404.db2.gz REVYSOUHTAZJPY-AQNXPRMDSA-N 1 0 453.501 4.730 20 0 JJADRO O=C(C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)NCCc1nc2ccccc2s1 ZINC001459875134 1067468881 /nfs/dbraw/zinc/46/88/81/1067468881.db2.gz HECRLFFEHCSZNR-QFIPXVFZSA-N 1 0 451.542 4.807 20 0 JJADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC(c2ccccn2)CC1 ZINC001459877198 1067469874 /nfs/dbraw/zinc/46/98/74/1067469874.db2.gz RZLXMKUJAPJSOP-NRFANRHFSA-N 1 0 456.590 4.733 20 0 JJADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)oc21 ZINC001459901303 1067480368 /nfs/dbraw/zinc/48/03/68/1067480368.db2.gz NHAQWTHGVVWHRH-PXNSSMCTSA-N 1 0 452.551 4.863 20 0 JJADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)oc21 ZINC001459901312 1067480386 /nfs/dbraw/zinc/48/03/86/1067480386.db2.gz NHAQWTHGVVWHRH-XLIONFOSSA-N 1 0 452.551 4.863 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546112601 1067481409 /nfs/dbraw/zinc/48/14/09/1067481409.db2.gz XPWPSXOZAUJNQE-GOTSBHOMSA-N 1 0 469.674 4.681 20 0 JJADRO CCN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459905241 1067482517 /nfs/dbraw/zinc/48/25/17/1067482517.db2.gz ZWRKEXNUODLSIR-OAQYLSRUSA-N 1 0 455.400 4.519 20 0 JJADRO Cc1ccc([C@H](CC(F)(F)F)[NH2+]C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001459908046 1067484111 /nfs/dbraw/zinc/48/41/11/1067484111.db2.gz RZWMOGAYFJRIDN-JTHBVZDNSA-N 1 0 450.501 4.742 20 0 JJADRO C[C@H]([NH2+]CC[C@H]1Sc2ccccc2NC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC001459913312 1067487919 /nfs/dbraw/zinc/48/79/19/1067487919.db2.gz VLGCPIDLQLPVFY-YVEFUNNKSA-N 1 0 459.369 4.653 20 0 JJADRO COc1ccccc1C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C(C)C ZINC001459920868 1067491743 /nfs/dbraw/zinc/49/17/43/1067491743.db2.gz GZVFRYCXKASVGX-IEBWSBKVSA-N 1 0 456.808 4.708 20 0 JJADRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001459933209 1067497450 /nfs/dbraw/zinc/49/74/50/1067497450.db2.gz JSLJOQAYYWPJHH-NRFANRHFSA-N 1 0 452.599 4.873 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(Cl)cc1 ZINC001459942159 1067500648 /nfs/dbraw/zinc/50/06/48/1067500648.db2.gz LAHXHADTMLMTIL-IBGZPJMESA-N 1 0 456.940 4.633 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947889 1067503014 /nfs/dbraw/zinc/50/30/14/1067503014.db2.gz YOHPBGPOBGOQGU-XUZZJYLKSA-N 1 0 456.030 4.899 20 0 JJADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC001459948728 1067503536 /nfs/dbraw/zinc/50/35/36/1067503536.db2.gz DXHHDSYKXCUUPF-FZMZJTMJSA-N 1 0 456.178 4.657 20 0 JJADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001459951802 1067504825 /nfs/dbraw/zinc/50/48/25/1067504825.db2.gz QTBQDYICMOHWOC-ISKFKSNPSA-N 1 0 459.993 4.705 20 0 JJADRO COC(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001459957323 1067506786 /nfs/dbraw/zinc/50/67/86/1067506786.db2.gz DCZQBUFZGVFZCA-UHFFFAOYSA-N 1 0 458.558 4.543 20 0 JJADRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001459957888 1067507145 /nfs/dbraw/zinc/50/71/45/1067507145.db2.gz GMWLJVQFWDXEBI-KRWDZBQOSA-N 1 0 450.501 4.553 20 0 JJADRO CC[C@H](C[N@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001459959612 1067507527 /nfs/dbraw/zinc/50/75/27/1067507527.db2.gz DJOVXKVXZFOOEU-CQSZACIVSA-N 1 0 451.803 4.584 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3C[C@@]3(C)c3cccc(Br)c3)cc2)CC1 ZINC001459961077 1067508476 /nfs/dbraw/zinc/50/84/76/1067508476.db2.gz PCQHHFHGFAMFOW-VWNXMTODSA-N 1 0 457.412 4.516 20 0 JJADRO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1=O ZINC001459961826 1067508485 /nfs/dbraw/zinc/50/84/85/1067508485.db2.gz LZOPUGLVYNDIDC-JLSDUUJJSA-N 1 0 452.498 4.585 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001459961876 1067508876 /nfs/dbraw/zinc/50/88/76/1067508876.db2.gz JACOQZIEPFMHSB-AOYPEHQESA-N 1 0 455.602 4.865 20 0 JJADRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC001459965353 1067509935 /nfs/dbraw/zinc/50/99/35/1067509935.db2.gz HXDNNGPDLSZCJI-SSEPRJSISA-N 1 0 451.611 4.783 20 0 JJADRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC001459971291 1067510639 /nfs/dbraw/zinc/51/06/39/1067510639.db2.gz QNEPDDUMPXAHFP-RBUKOAKNSA-N 1 0 458.628 4.520 20 0 JJADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCCc1ccccc1Br ZINC001459975296 1067512217 /nfs/dbraw/zinc/51/22/17/1067512217.db2.gz WYVZALMYVKMQPV-QGZVFWFLSA-N 1 0 451.430 4.615 20 0 JJADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC001459978922 1067514002 /nfs/dbraw/zinc/51/40/02/1067514002.db2.gz GTDCTPUNJZFZMN-FQEVSTJZSA-N 1 0 459.432 4.726 20 0 JJADRO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001459981029 1067514385 /nfs/dbraw/zinc/51/43/85/1067514385.db2.gz ZDUGDNQWSWOWGD-GOSISDBHSA-N 1 0 454.636 4.856 20 0 JJADRO C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001459981032 1067514852 /nfs/dbraw/zinc/51/48/52/1067514852.db2.gz ZDUGDNQWSWOWGD-SFHVURJKSA-N 1 0 454.636 4.856 20 0 JJADRO O[C@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cc(Br)no1 ZINC001459986295 1067516036 /nfs/dbraw/zinc/51/60/36/1067516036.db2.gz GEFMBXOCCPKWSF-GHMZBOCLSA-N 1 0 458.072 4.516 20 0 JJADRO O=S(=O)(CCC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 ZINC001459989097 1067516715 /nfs/dbraw/zinc/51/67/15/1067516715.db2.gz KTGCAARTZWZGEK-JOCHJYFZSA-N 1 0 459.409 4.582 20 0 JJADRO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459990754 1067517594 /nfs/dbraw/zinc/51/75/94/1067517594.db2.gz DIEGMIBKCVTCSY-QKVFXAPYSA-N 1 0 455.318 4.655 20 0 JJADRO CC[C@]1(CO)CCC[N@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459992976 1067518476 /nfs/dbraw/zinc/51/84/76/1067518476.db2.gz FWPTYEPFMQGGMC-UPVQGACJSA-N 1 0 452.422 4.945 20 0 JJADRO CC[C@]1(CO)CCC[N@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459993000 1067518500 /nfs/dbraw/zinc/51/85/00/1067518500.db2.gz FWPTYEPFMQGGMC-VWNXMTODSA-N 1 0 452.422 4.945 20 0 JJADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1noc(Cc2ccc(Br)cc2)n1 ZINC001459999277 1067521166 /nfs/dbraw/zinc/52/11/66/1067521166.db2.gz UMEYLEXBWZHZET-OAQYLSRUSA-N 1 0 457.416 4.669 20 0 JJADRO CCCOc1cccc(CNC(=O)C[NH+]2CCC(C)(c3ccc(Br)cc3)CC2)c1 ZINC001460001718 1067522046 /nfs/dbraw/zinc/52/20/46/1067522046.db2.gz IGGNNJQNIGOPNR-UHFFFAOYSA-N 1 0 459.428 4.908 20 0 JJADRO C[NH+]1CCC2(CCCN(CC(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)C2)CC1 ZINC001460019031 1067530093 /nfs/dbraw/zinc/53/00/93/1067530093.db2.gz LDSPQNGVONDGBD-UHFFFAOYSA-N 1 0 453.439 4.863 20 0 JJADRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460018878 1067530119 /nfs/dbraw/zinc/53/01/19/1067530119.db2.gz KLMHRPMAIJLLHK-UQBPGWFLSA-N 1 0 455.624 4.612 20 0 JJADRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460018872 1067530228 /nfs/dbraw/zinc/53/02/28/1067530228.db2.gz KLMHRPMAIJLLHK-KBMIEXCESA-N 1 0 455.624 4.612 20 0 JJADRO CC(C)OCc1ccccc1CNC(=O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC001460021011 1067530969 /nfs/dbraw/zinc/53/09/69/1067530969.db2.gz ITENOIPDHIZZQY-UHFFFAOYSA-N 1 0 459.428 4.870 20 0 JJADRO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001460051811 1067539591 /nfs/dbraw/zinc/53/95/91/1067539591.db2.gz OXFUWAIIERAULZ-XMMPIXPASA-N 1 0 451.611 4.595 20 0 JJADRO O=C(CC[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)NC(c1ccccc1)c1ccccc1 ZINC001460053010 1067539896 /nfs/dbraw/zinc/53/98/96/1067539896.db2.gz FWYLYEKJPYGENI-NRFANRHFSA-N 1 0 458.480 4.504 20 0 JJADRO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001460059946 1067542294 /nfs/dbraw/zinc/54/22/94/1067542294.db2.gz XOQZPPLHVNNJHF-CQSZACIVSA-N 1 0 451.514 4.949 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001460063177 1067542974 /nfs/dbraw/zinc/54/29/74/1067542974.db2.gz SGHWDYRFGBENJU-UMEGOILYSA-N 1 0 451.611 4.840 20 0 JJADRO O=C(CN(CCC(F)(F)F)Cc1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460070717 1067545571 /nfs/dbraw/zinc/54/55/71/1067545571.db2.gz VRTUAQNDNFQHHE-UHFFFAOYSA-N 1 0 451.558 4.629 20 0 JJADRO CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)cc1 ZINC001460072658 1067546455 /nfs/dbraw/zinc/54/64/55/1067546455.db2.gz BZZOOUMCRCGIIM-UHFFFAOYSA-N 1 0 455.986 4.648 20 0 JJADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)C12CCCC2 ZINC001460072965 1067546471 /nfs/dbraw/zinc/54/64/71/1067546471.db2.gz CMIXLCIEEUCDPG-FGZHOGPDSA-N 1 0 455.986 4.858 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)Nc3ccc(Br)cc3)C2)s1 ZINC001460076322 1067547619 /nfs/dbraw/zinc/54/76/19/1067547619.db2.gz SRQNSXXZXUAPDO-SJORKVTESA-N 1 0 450.446 4.600 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)Nc3ccc(Br)cc3)C2)s1 ZINC001460076314 1067547753 /nfs/dbraw/zinc/54/77/53/1067547753.db2.gz SRQNSXXZXUAPDO-DLBZAZTESA-N 1 0 450.446 4.600 20 0 JJADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC001460077307 1067548110 /nfs/dbraw/zinc/54/81/10/1067548110.db2.gz APTQLFWSBHUPTQ-CYFREDJKSA-N 1 0 456.652 4.792 20 0 JJADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001460095758 1067553506 /nfs/dbraw/zinc/55/35/06/1067553506.db2.gz ODHRYEASFFUERY-BUUDZMLXSA-N 1 0 450.623 4.658 20 0 JJADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC001460097481 1067554238 /nfs/dbraw/zinc/55/42/38/1067554238.db2.gz VNECKVFRERAWGW-LLVKDONJSA-N 1 0 458.734 4.773 20 0 JJADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC001460097484 1067554533 /nfs/dbraw/zinc/55/45/33/1067554533.db2.gz VNECKVFRERAWGW-NSHDSACASA-N 1 0 458.734 4.773 20 0 JJADRO Cc1c(O)ccc2c(C[NH+]3CCC([C@@H]4N(C(=O)OC(C)(C)C)CC4(C)C)CC3)cc(=O)oc12 ZINC001460104783 1067555865 /nfs/dbraw/zinc/55/58/65/1067555865.db2.gz JFIGOEVIBBTVQE-QHCPKHFHSA-N 1 0 456.583 4.665 20 0 JJADRO C[C@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@H+](Cc2ccccc2)C1 ZINC001460116474 1067558727 /nfs/dbraw/zinc/55/87/27/1067558727.db2.gz CGUFRWDMJQDWAD-QGZVFWFLSA-N 1 0 454.368 4.698 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC001460126530 1067560527 /nfs/dbraw/zinc/56/05/27/1067560527.db2.gz VDAAZYJTRBRDET-IRXDYDNUSA-N 1 0 450.988 4.587 20 0 JJADRO Ic1cccc(C[C@H]2CC[N@H+](Cc3nccn3Cc3ccccc3)C2)c1 ZINC001460135753 1067562140 /nfs/dbraw/zinc/56/21/40/1067562140.db2.gz NVLNJHLKIQWQMU-HXUWFJFHSA-N 1 0 457.359 4.601 20 0 JJADRO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1 ZINC001460149078 1067565413 /nfs/dbraw/zinc/56/54/13/1067565413.db2.gz SRWHBARQYXUYNV-YADARESESA-N 1 0 450.558 4.815 20 0 JJADRO Cc1ccccc1C[N@@H+](Cc1ccccn1)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158465 1067567227 /nfs/dbraw/zinc/56/72/27/1067567227.db2.gz PNCLIJVCEDLHJM-IGKIAQTJSA-N 1 0 451.611 4.808 20 0 JJADRO Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCCC[C@H]3Cc3ccccc3Br)c2cc1C ZINC001460158114 1067567265 /nfs/dbraw/zinc/56/72/65/1067567265.db2.gz AWAFFBRWNIRJCZ-SFTDATJTSA-N 1 0 456.428 4.874 20 0 JJADRO COC(=O)c1cccc(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1Cl ZINC001460160628 1067567645 /nfs/dbraw/zinc/56/76/45/1067567645.db2.gz HSTICBCBQZOXAJ-NZQKXSOJSA-N 1 0 455.913 4.807 20 0 JJADRO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)CCc1cccc(Br)c1 ZINC001460168432 1067568659 /nfs/dbraw/zinc/56/86/59/1067568659.db2.gz DIKGXIPNIUDPCA-MRXNPFEDSA-N 1 0 453.808 4.503 20 0 JJADRO C[N@H+](CCc1cccc(Br)c1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001460168729 1067568804 /nfs/dbraw/zinc/56/88/04/1067568804.db2.gz FJKRVEGTTYWCOK-GOSISDBHSA-N 1 0 452.190 4.639 20 0 JJADRO CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001460172935 1067570220 /nfs/dbraw/zinc/57/02/20/1067570220.db2.gz UMZAZPMNWSNNBZ-HHHXNRCGSA-N 1 0 456.074 4.905 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1 ZINC001460177664 1067571829 /nfs/dbraw/zinc/57/18/29/1067571829.db2.gz IUKMIGXUEYNXJM-RBVMOCNTSA-N 1 0 471.642 4.707 20 0 JJADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001460181510 1067573028 /nfs/dbraw/zinc/57/30/28/1067573028.db2.gz QDBQHBNRZKURIX-KSFYIVLOSA-N 1 0 455.352 4.892 20 0 JJADRO CCCN(CC[NH+]1CCCCCC1)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC001460181547 1067573089 /nfs/dbraw/zinc/57/30/89/1067573089.db2.gz SMPGGMDOKLFONW-RUZDIDTESA-N 1 0 450.627 4.854 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@H](CN[C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184439 1067573661 /nfs/dbraw/zinc/57/36/61/1067573661.db2.gz XVJXWNVQCBCEPW-UKILVPOCSA-N 1 0 453.424 4.988 20 0 JJADRO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCCNC2=O)cc1 ZINC001460183779 1067573767 /nfs/dbraw/zinc/57/37/67/1067573767.db2.gz VUBWWFNUTIWMGR-GFCCVEGCSA-N 1 0 455.773 4.856 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001460195923 1067576529 /nfs/dbraw/zinc/57/65/29/1067576529.db2.gz GDEXZRITMQACBP-CMOCDZPBSA-N 1 0 450.570 4.820 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001460196563 1067576895 /nfs/dbraw/zinc/57/68/95/1067576895.db2.gz ISTAHTVWWJAUNH-SFTDATJTSA-N 1 0 456.986 4.642 20 0 JJADRO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001460197551 1067576984 /nfs/dbraw/zinc/57/69/84/1067576984.db2.gz NPRMNTQICQNPIQ-HXUWFJFHSA-N 1 0 451.007 4.957 20 0 JJADRO COc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)ccc1SC ZINC001460198950 1067577238 /nfs/dbraw/zinc/57/72/38/1067577238.db2.gz RRBUKXRDZBTENG-DENIHFKCSA-N 1 0 450.645 4.701 20 0 JJADRO CSc1ccc(OCC[NH+]2CCC([C@@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001460200025 1067578005 /nfs/dbraw/zinc/57/80/05/1067578005.db2.gz WKHLKVWUKGHKTF-VXKWHMMOSA-N 1 0 450.645 4.572 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(Oc4ccc(C)cc4)cn3)CC2)cc1 ZINC001460210523 1067579963 /nfs/dbraw/zinc/57/99/63/1067579963.db2.gz CIWPWWTZSQGROY-UHFFFAOYSA-N 1 0 458.562 4.535 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2CCC(=O)N2CCCc3ccccc32)C1 ZINC001460215895 1067581295 /nfs/dbraw/zinc/58/12/95/1067581295.db2.gz RRBBFYSWWNKIAT-DHIUTWEWSA-N 1 0 455.643 4.858 20 0 JJADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001460217161 1067581862 /nfs/dbraw/zinc/58/18/62/1067581862.db2.gz XPKPXNFCKAXOGO-OFNKIYASSA-N 1 0 458.647 4.583 20 0 JJADRO CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCCCC2)CCS1 ZINC001546114765 1067582153 /nfs/dbraw/zinc/58/21/53/1067582153.db2.gz FPMSJNYYDMVDFN-NVQXNPDNSA-N 1 0 493.762 4.553 20 0 JJADRO C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)NCc1ccc(Cl)cc1 ZINC001460222031 1067583142 /nfs/dbraw/zinc/58/31/42/1067583142.db2.gz PPHJCDRXBIKYMW-JSRBVGTNSA-N 1 0 466.000 4.742 20 0 JJADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460221630 1067583203 /nfs/dbraw/zinc/58/32/03/1067583203.db2.gz LSGCOCXKLRVHQH-KYPHJKQUSA-N 1 0 469.000 4.785 20 0 JJADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001460225114 1067583836 /nfs/dbraw/zinc/58/38/36/1067583836.db2.gz DRSQTSKLIAOMBR-ZOCIIQOWSA-N 1 0 460.537 4.629 20 0 JJADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001460230684 1067584883 /nfs/dbraw/zinc/58/48/83/1067584883.db2.gz XETPESCFGBJHLA-UJNULRONSA-N 1 0 458.668 4.559 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)c(OC)c1 ZINC001460233189 1067586197 /nfs/dbraw/zinc/58/61/97/1067586197.db2.gz FTYWGAPBDFIGGE-XMMPIXPASA-N 1 0 458.549 4.600 20 0 JJADRO COc1ccc([C@H](O)C[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238569 1067588242 /nfs/dbraw/zinc/58/82/42/1067588242.db2.gz IVQJASRLGWDRJY-JRAXSAEOSA-N 1 0 452.639 4.699 20 0 JJADRO COc1ccc([C@H](O)C[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)[C@H](C)Cc2ccccc2)cc1 ZINC001460238567 1067588254 /nfs/dbraw/zinc/58/82/54/1067588254.db2.gz IVQJASRLGWDRJY-IKAXQFJBSA-N 1 0 452.639 4.699 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)COc2ccc(Br)cc2Cl)CCC1 ZINC001460249622 1067591142 /nfs/dbraw/zinc/59/11/42/1067591142.db2.gz FDMNJVMMDAISJB-UHFFFAOYSA-N 1 0 451.792 4.652 20 0 JJADRO COc1cc(OC)c(NC(=O)CC[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc1Cl ZINC001460259263 1067592900 /nfs/dbraw/zinc/59/29/00/1067592900.db2.gz PVGYLJUTNCNAMG-INIZCTEOSA-N 1 0 454.995 4.520 20 0 JJADRO CC(C)c1ccc(CN(C(=O)C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001460263056 1067593234 /nfs/dbraw/zinc/59/32/34/1067593234.db2.gz JXOJGJUMBLRLEI-UHFFFAOYSA-N 1 0 455.643 4.776 20 0 JJADRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269817 1067594296 /nfs/dbraw/zinc/59/42/96/1067594296.db2.gz HBQPFRUQHKDEFF-VYVQKFEUSA-N 1 0 457.659 4.905 20 0 JJADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC001460273440 1067595296 /nfs/dbraw/zinc/59/52/96/1067595296.db2.gz URSMUTJABWCBJH-CYFREDJKSA-N 1 0 451.636 4.676 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C[C@H]1c1ccc(Br)cc1 ZINC001460278036 1067596216 /nfs/dbraw/zinc/59/62/16/1067596216.db2.gz PQUYIDMAAIWLCV-LEWJYISDSA-N 1 0 474.786 4.677 20 0 JJADRO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCCC[C@@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278972 1067596549 /nfs/dbraw/zinc/59/65/49/1067596549.db2.gz NPCNRKUDFABIER-DLBZAZTESA-N 1 0 458.672 4.917 20 0 JJADRO COc1cc(OC)c(NC(=O)CC[N@@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)cc1Cl ZINC001460280834 1067597464 /nfs/dbraw/zinc/59/74/64/1067597464.db2.gz XTNNFLJRNNRKFB-MRXNPFEDSA-N 1 0 454.995 4.662 20 0 JJADRO O=C(C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1)NCc1ccc(F)cc1 ZINC001460300995 1067601929 /nfs/dbraw/zinc/60/19/29/1067601929.db2.gz KCHVBGWTLRCUAE-HSZRJFAPSA-N 1 0 459.565 4.997 20 0 JJADRO CC(C)N(C)c1ccc(NC(=O)CC[N@H+](C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC001460302041 1067602362 /nfs/dbraw/zinc/60/23/62/1067602362.db2.gz WVFILKMRTMSREU-XMMPIXPASA-N 1 0 454.634 4.984 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303258 1067602793 /nfs/dbraw/zinc/60/27/93/1067602793.db2.gz XYMYYGBPCBGMLR-PVERMEFCSA-N 1 0 452.570 4.545 20 0 JJADRO COc1cc(Br)ccc1CCC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460314715 1067605361 /nfs/dbraw/zinc/60/53/61/1067605361.db2.gz LUKAYZHNYWMXAN-UHFFFAOYSA-N 1 0 453.421 4.723 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001460315245 1067605826 /nfs/dbraw/zinc/60/58/26/1067605826.db2.gz LTWWAADBAFDGCL-NNMXDRDESA-N 1 0 461.389 4.546 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001460315242 1067605832 /nfs/dbraw/zinc/60/58/32/1067605832.db2.gz LTWWAADBAFDGCL-JQVVWYNYSA-N 1 0 461.389 4.546 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2C[C@H](O)c2cccc3ccccc32)C1 ZINC001460318651 1067606753 /nfs/dbraw/zinc/60/67/53/1067606753.db2.gz SHJVHSKHKIABPR-ZBCONREDSA-N 1 0 454.611 4.800 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2F)C1 ZINC001460319346 1067607289 /nfs/dbraw/zinc/60/72/89/1067607289.db2.gz VSUPHYVFYDPHCA-RLLQIKCJSA-N 1 0 456.599 4.984 20 0 JJADRO CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001460319893 1067607377 /nfs/dbraw/zinc/60/73/77/1067607377.db2.gz ZCKIHPIXFVLNNW-YUMYIRISSA-N 1 0 453.023 4.954 20 0 JJADRO COc1cc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)ccc1Cl ZINC001460321116 1067607636 /nfs/dbraw/zinc/60/76/36/1067607636.db2.gz GNAKZFQQQMMNRD-NHCUHLMSSA-N 1 0 455.023 4.985 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460341857 1067612369 /nfs/dbraw/zinc/61/23/69/1067612369.db2.gz IESJFFBPTFYUSZ-NFBKMPQASA-N 1 0 451.611 4.660 20 0 JJADRO CC[C@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001460346067 1067613267 /nfs/dbraw/zinc/61/32/67/1067613267.db2.gz HYJCFXRKXNEHLC-BKMJKUGQSA-N 1 0 458.606 4.961 20 0 JJADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCc4ccccc4[C@H](C)C3)cc2)cc1 ZINC001460345829 1067613367 /nfs/dbraw/zinc/61/33/67/1067613367.db2.gz WXMWURLTYVEKRW-HXUWFJFHSA-N 1 0 457.574 4.938 20 0 JJADRO CC[C@@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001460346068 1067613403 /nfs/dbraw/zinc/61/34/03/1067613403.db2.gz HYJCFXRKXNEHLC-GJZUVCINSA-N 1 0 458.606 4.961 20 0 JJADRO CNC(=O)Oc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001460351544 1067615093 /nfs/dbraw/zinc/61/50/93/1067615093.db2.gz YOPHESVDLOGDCW-BJKOFHAPSA-N 1 0 463.965 4.913 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001460356193 1067615857 /nfs/dbraw/zinc/61/58/57/1067615857.db2.gz NGGRTXYUUOVHQH-GOSISDBHSA-N 1 0 452.437 4.608 20 0 JJADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460357756 1067616954 /nfs/dbraw/zinc/61/69/54/1067616954.db2.gz BGDMKIUMVQJILC-GCOVDLRRSA-N 1 0 455.599 4.579 20 0 JJADRO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001460358746 1067617349 /nfs/dbraw/zinc/61/73/49/1067617349.db2.gz GVCGXFMURWQRBZ-UPVQGACJSA-N 1 0 458.643 4.898 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]Cc2ccnc(Br)c2)C1 ZINC001460402984 1067627313 /nfs/dbraw/zinc/62/73/13/1067627313.db2.gz CVFQEKVLHONTMI-RTBURBONSA-N 1 0 464.379 4.866 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccnc3)n2Cc2cccc(C[NH+](C)C)c2)CCS1 ZINC001546116047 1067628913 /nfs/dbraw/zinc/62/89/13/1067628913.db2.gz FNIQEZKTWOKULY-UHFFFAOYSA-N 1 0 450.656 4.562 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]Cc2cccc(Br)n2)C1 ZINC001460410742 1067629637 /nfs/dbraw/zinc/62/96/37/1067629637.db2.gz QDFJIJXYLZYHRX-RTBURBONSA-N 1 0 464.379 4.866 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001460412060 1067630277 /nfs/dbraw/zinc/63/02/77/1067630277.db2.gz UDVKJFKSKRAXMH-YTFSRNRJSA-N 1 0 478.555 4.992 20 0 JJADRO CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC001460413834 1067630778 /nfs/dbraw/zinc/63/07/78/1067630778.db2.gz XUEUCYGIYROPEX-XUZZJYLKSA-N 1 0 459.512 4.780 20 0 JJADRO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413017 1067630790 /nfs/dbraw/zinc/63/07/90/1067630790.db2.gz UDOVNMUFFQQLEB-SJLPKXTDSA-N 1 0 451.558 4.651 20 0 JJADRO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413018 1067630858 /nfs/dbraw/zinc/63/08/58/1067630858.db2.gz UDOVNMUFFQQLEB-WMZOPIPTSA-N 1 0 451.558 4.651 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCCC2)CCS1 ZINC001546116168 1067632118 /nfs/dbraw/zinc/63/21/18/1067632118.db2.gz JMCJXSQMLUYVEN-UHFFFAOYSA-N 1 0 457.688 4.942 20 0 JJADRO CC[N@H+](C/C=C\c1ccc(Cl)cc1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460441938 1067635583 /nfs/dbraw/zinc/63/55/83/1067635583.db2.gz DHCUEQCGGQQNRX-FQQSSWHASA-N 1 0 450.023 4.533 20 0 JJADRO O=C(N1CCC[C@@H](C2CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)C1)C(F)(F)F ZINC001460449858 1067636615 /nfs/dbraw/zinc/63/66/15/1067636615.db2.gz QKCFLNLUGRUXGS-CRAIPNDOSA-N 1 0 453.332 4.540 20 0 JJADRO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001460448857 1067636714 /nfs/dbraw/zinc/63/67/14/1067636714.db2.gz FCZHMWQXPVOJQF-VQIMIIECSA-N 1 0 454.011 4.693 20 0 JJADRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2Br)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001460454299 1067637576 /nfs/dbraw/zinc/63/75/76/1067637576.db2.gz MBBMYEPWBHTMPZ-NSISKUIASA-N 1 0 455.437 4.888 20 0 JJADRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 ZINC001460484509 1067643592 /nfs/dbraw/zinc/64/35/92/1067643592.db2.gz GCXLUSOZFJZLMB-NHCUHLMSSA-N 1 0 453.631 4.716 20 0 JJADRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC001460526035 1067650182 /nfs/dbraw/zinc/65/01/82/1067650182.db2.gz MEJIFXJTMDFAKO-USCONSEESA-N 1 0 453.410 4.567 20 0 JJADRO CCc1c(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](CC)CC)nnn1-c1cccc(Cl)c1 ZINC001460550330 1067654620 /nfs/dbraw/zinc/65/46/20/1067654620.db2.gz CRKAHIJZRHGASQ-QHCPKHFHSA-N 1 0 454.018 4.858 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](C[C@@H]3CCC4(CCCCCC4)O3)CC2)C1 ZINC001460564860 1067657244 /nfs/dbraw/zinc/65/72/44/1067657244.db2.gz IJTCWZCWPRYISF-GOTSBHOMSA-N 1 0 450.664 4.996 20 0 JJADRO COC(=O)/C=C\c1ccc(OCC[N@@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1 ZINC001460572193 1067658188 /nfs/dbraw/zinc/65/81/88/1067658188.db2.gz XCBACTMKOQUSHY-IXIXJIPRSA-N 1 0 457.570 4.652 20 0 JJADRO CCC1(CC)CN(c2nnc(C3CCC3)n2Cc2cccc(OCC[NH+](C)C)c2)CCS1 ZINC001546117355 1067658742 /nfs/dbraw/zinc/65/87/42/1067658742.db2.gz DGQTWPGQGAKZOX-UHFFFAOYSA-N 1 0 457.688 4.646 20 0 JJADRO C[C@H](C(=O)N(CC[NH+]1CCCCCC1)C1CCC1)c1ccc(I)cc1 ZINC001460605000 1067668748 /nfs/dbraw/zinc/66/87/48/1067668748.db2.gz HMMJCKZGQUAOHF-KRWDZBQOSA-N 1 0 454.396 4.652 20 0 JJADRO CC1(C)[C@H]2[C@H](CCC[N@@H+]2C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@@H]1O ZINC001460620852 1067675284 /nfs/dbraw/zinc/67/52/84/1067675284.db2.gz WBCUOVJJUIWWJW-JSRBNTPPSA-N 1 0 464.433 4.942 20 0 JJADRO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C[C@@H](C)CC2 ZINC001460627206 1067677434 /nfs/dbraw/zinc/67/74/34/1067677434.db2.gz RDFBNDRLWDGZJQ-VVUGWJFESA-N 1 0 480.989 4.510 20 0 JJADRO CC(C)(C)c1csc(CC2(O)CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)n1 ZINC001460630192 1067677898 /nfs/dbraw/zinc/67/78/98/1067677898.db2.gz HFIRSMXMGRYYSD-UHFFFAOYSA-N 1 0 454.011 4.631 20 0 JJADRO CCOC(=O)c1c(CN2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)occ1C(F)(F)F ZINC001460634021 1067680224 /nfs/dbraw/zinc/68/02/24/1067680224.db2.gz BJUMNUSOEBJTAM-ZRZAMGCNSA-N 1 0 450.501 4.819 20 0 JJADRO CSC1(CNC(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC001460636294 1067680495 /nfs/dbraw/zinc/68/04/95/1067680495.db2.gz XSILYKNTOAPDFZ-FQEVSTJZSA-N 1 0 455.709 4.574 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460648336 1067685754 /nfs/dbraw/zinc/68/57/54/1067685754.db2.gz ADWBSYUCNJWNSE-SIKLNZKXSA-N 1 0 464.965 4.859 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@@H+]2CCC[C@H](OC3CCC3)CC2)c2ccccc2)cc1 ZINC001460654455 1067688934 /nfs/dbraw/zinc/68/89/34/1067688934.db2.gz VXOSNNRQKNUDDV-AHWVRZQESA-N 1 0 456.652 4.828 20 0 JJADRO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC001460655999 1067690378 /nfs/dbraw/zinc/69/03/78/1067690378.db2.gz VHVCGPNNHGWXFW-UWJYYQICSA-N 1 0 458.318 4.703 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1 ZINC001460657166 1067690415 /nfs/dbraw/zinc/69/04/15/1067690415.db2.gz WGVNJFGFHMXHOG-UHFFFAOYSA-N 1 0 458.534 4.929 20 0 JJADRO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460659863 1067691263 /nfs/dbraw/zinc/69/12/63/1067691263.db2.gz MAAVGPPHCXRWND-HSZRJFAPSA-N 1 0 450.604 4.936 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)C1 ZINC001460663908 1067692533 /nfs/dbraw/zinc/69/25/33/1067692533.db2.gz GQYSEZGLZQAOII-HKBOAZHASA-N 1 0 451.652 4.745 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)C[NH+](C)C)CCS1 ZINC001546117805 1067698724 /nfs/dbraw/zinc/69/87/24/1067698724.db2.gz PLUAOFIWNPJURS-UHFFFAOYSA-N 1 0 465.658 4.847 20 0 JJADRO CO[C@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001460682603 1067700318 /nfs/dbraw/zinc/70/03/18/1067700318.db2.gz YMPVSUFVGKHTPM-XLIONFOSSA-N 1 0 451.430 4.617 20 0 JJADRO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC001460688129 1067701976 /nfs/dbraw/zinc/70/19/76/1067701976.db2.gz FVZJKQXTDUURPI-NLFFAJNJSA-N 1 0 456.608 4.838 20 0 JJADRO O=C(C[NH2+][C@H](Cn1ccnc1)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460689244 1067702443 /nfs/dbraw/zinc/70/24/43/1067702443.db2.gz HJTVBRWWYKBAKS-GOSISDBHSA-N 1 0 456.390 4.890 20 0 JJADRO COCCCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)C1CC[NH+](C)CC1 ZINC001460690789 1067702500 /nfs/dbraw/zinc/70/25/00/1067702500.db2.gz NABBMMRUTXWWCY-UHFFFAOYSA-N 1 0 452.382 4.754 20 0 JJADRO O=C(C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460692894 1067703215 /nfs/dbraw/zinc/70/32/15/1067703215.db2.gz PJRWLSXXYXXPGY-HXUWFJFHSA-N 1 0 453.558 4.545 20 0 JJADRO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC2 ZINC001460723752 1067709925 /nfs/dbraw/zinc/70/99/25/1067709925.db2.gz GYUWXWGXNBVOGJ-CYBMUJFWSA-N 1 0 451.336 4.553 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c(OC)c1 ZINC001460747926 1067714815 /nfs/dbraw/zinc/71/48/15/1067714815.db2.gz XFJPOJDNELCXQP-YWZLYKJASA-N 1 0 452.473 4.617 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c(OC)c1 ZINC001460747909 1067714942 /nfs/dbraw/zinc/71/49/42/1067714942.db2.gz XFJPOJDNELCXQP-MGPUTAFESA-N 1 0 452.473 4.617 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C[C@H]1C1CC1 ZINC001460751732 1067716206 /nfs/dbraw/zinc/71/62/06/1067716206.db2.gz USQPJCLBWYCHAT-GCKMJXCFSA-N 1 0 458.824 4.610 20 0 JJADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001460770494 1067720652 /nfs/dbraw/zinc/72/06/52/1067720652.db2.gz HAGSGNNSALDOCY-UHFFFAOYSA-N 1 0 456.456 4.900 20 0 JJADRO C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778771 1067721715 /nfs/dbraw/zinc/72/17/15/1067721715.db2.gz PIFJLGYSXBIXRR-XDHUDOTRSA-N 1 0 458.628 4.736 20 0 JJADRO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779777 1067721953 /nfs/dbraw/zinc/72/19/53/1067721953.db2.gz YTXIAMSDZBSCCE-FYQCMVGJSA-N 1 0 455.643 4.856 20 0 JJADRO Cc1cc2nc(C)c(CCC(=O)N(CCC[NH+]3CCCC3)c3ccc(Cl)cc3)c(C)n2n1 ZINC001460797393 1067725787 /nfs/dbraw/zinc/72/57/87/1067725787.db2.gz UDYKMLTZYGREOC-UHFFFAOYSA-N 1 0 454.018 4.760 20 0 JJADRO COc1ccc(CCNC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(SC(F)(F)F)c2)cc1OC ZINC001460801826 1067727128 /nfs/dbraw/zinc/72/71/28/1067727128.db2.gz BCSOXUWRBLHFRG-HUUCEWRRSA-N 1 0 456.530 4.714 20 0 JJADRO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(c2c[nH]c3ccc(C(=O)OC)cc32)CC1 ZINC001460811467 1067728294 /nfs/dbraw/zinc/72/82/94/1067728294.db2.gz ILXCLUPGLHARMQ-JOCHJYFZSA-N 1 0 452.555 4.628 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460822398 1067729285 /nfs/dbraw/zinc/72/92/85/1067729285.db2.gz SXJWJNICGIKGSQ-GCJKJVERSA-N 1 0 459.414 4.599 20 0 JJADRO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCS1 ZINC001546119526 1067733902 /nfs/dbraw/zinc/73/39/02/1067733902.db2.gz GGXGSWGTRBWCHW-FQEVSTJZSA-N 1 0 487.762 4.762 20 0 JJADRO C[C@@H](CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)c(Br)c1 ZINC001460857389 1067735890 /nfs/dbraw/zinc/73/58/90/1067735890.db2.gz ZTNLUJDSYYSPBV-ZDUSSCGKSA-N 1 0 453.318 4.957 20 0 JJADRO CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC001460860212 1067736286 /nfs/dbraw/zinc/73/62/86/1067736286.db2.gz QQCCJODBCMZHJQ-LJQANCHMSA-N 1 0 455.437 4.745 20 0 JJADRO COC(=O)c1cc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)ccc1C ZINC001460863946 1067737133 /nfs/dbraw/zinc/73/71/33/1067737133.db2.gz MATRMHNQOJPEDT-UHFFFAOYSA-N 1 0 452.595 4.840 20 0 JJADRO Cc1ccc([C@H](NC(=O)C[NH+]2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001460863843 1067737138 /nfs/dbraw/zinc/73/71/38/1067737138.db2.gz XHHBMZNKSDWXJK-DEOSSOPVSA-N 1 0 457.659 4.825 20 0 JJADRO CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001460865066 1067737169 /nfs/dbraw/zinc/73/71/69/1067737169.db2.gz YLYHETLYUYVFLJ-FQEVSTJZSA-N 1 0 458.565 4.872 20 0 JJADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001460868613 1067738547 /nfs/dbraw/zinc/73/85/47/1067738547.db2.gz MRGVCRMLLUPJLG-RPWUZVMVSA-N 1 0 458.371 4.872 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460880630 1067741428 /nfs/dbraw/zinc/74/14/28/1067741428.db2.gz HYHBZYIFECNTHM-GDBMZVCRSA-N 1 0 450.377 4.697 20 0 JJADRO C[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460879795 1067741457 /nfs/dbraw/zinc/74/14/57/1067741457.db2.gz BWWDJHVXLDCOIP-JLGINSKQSA-N 1 0 472.029 4.638 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460884255 1067742328 /nfs/dbraw/zinc/74/23/28/1067742328.db2.gz YDRXPJYCARGRGC-HNNXBMFYSA-N 1 0 450.377 4.841 20 0 JJADRO C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC001460889567 1067744036 /nfs/dbraw/zinc/74/40/36/1067744036.db2.gz SZTUEISYUOOTHT-LZFFWASXSA-N 1 0 451.611 4.594 20 0 JJADRO CCCCCCc1ccc(-c2csc(NC(=O)C[NH2+][C@@H]3CCOC34CCOCC4)n2)cc1 ZINC001460915608 1067747395 /nfs/dbraw/zinc/74/73/95/1067747395.db2.gz JDZZJDGDKBKPBP-JOCHJYFZSA-N 1 0 457.640 4.799 20 0 JJADRO O=C(C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920733 1067748466 /nfs/dbraw/zinc/74/84/66/1067748466.db2.gz DPNORINQFDCSNS-MOPGFXCFSA-N 1 0 455.986 4.669 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]12C[N@H+](CCOc3ccccc3Br)C[C@H]1CCCC2 ZINC001460969518 1067754810 /nfs/dbraw/zinc/75/48/10/1067754810.db2.gz CYWXAMMFCIAHPN-VGSWGCGISA-N 1 0 453.421 4.845 20 0 JJADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C)C(=O)N1CCSc2ccccc21 ZINC001460983195 1067756836 /nfs/dbraw/zinc/75/68/36/1067756836.db2.gz UVCCHNOPSXPWJO-PZBISTMVSA-N 1 0 459.656 4.528 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([NH2+]CC(=O)Nc3ccc(C(F)(F)F)cc3)C(C)(C)[C@H]21 ZINC001460983848 1067757266 /nfs/dbraw/zinc/75/72/66/1067757266.db2.gz WEQPOSQZBMXGGP-NEWSRXKRSA-N 1 0 455.521 4.658 20 0 JJADRO COc1ccc([C@@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)N2CCCC2)cc1 ZINC001460990120 1067758298 /nfs/dbraw/zinc/75/82/98/1067758298.db2.gz VKNXIAFSICCQOA-HXUWFJFHSA-N 1 0 455.343 4.986 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](C[NH+]3CCCC3)c3ccccc3)o2)C1 ZINC001460993013 1067759352 /nfs/dbraw/zinc/75/93/52/1067759352.db2.gz QNSLCDDUTWEGRS-UPVQGACJSA-N 1 0 453.627 4.764 20 0 JJADRO COc1ccccc1[C@H](C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)N1CCCC1 ZINC001460999398 1067760296 /nfs/dbraw/zinc/76/02/96/1067760296.db2.gz BNFMJRKCYDXBOF-QHCPKHFHSA-N 1 0 458.528 4.886 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@H](c3ccco3)N3CCCCC3)o2)C1 ZINC001461011640 1067762050 /nfs/dbraw/zinc/76/20/50/1067762050.db2.gz HRYLBFJXKBZOMS-RBBKRZOGSA-N 1 0 457.615 4.748 20 0 JJADRO FC(F)(F)COc1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1 ZINC001461013742 1067762282 /nfs/dbraw/zinc/76/22/82/1067762282.db2.gz MEQXSQXMRTUXPQ-UHFFFAOYSA-N 1 0 459.306 4.517 20 0 JJADRO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC001461019084 1067762956 /nfs/dbraw/zinc/76/29/56/1067762956.db2.gz MNVGZWLBUIGEPS-QHCPKHFHSA-N 1 0 453.030 4.986 20 0 JJADRO CCCOc1c(Cl)cc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cc1OC ZINC001461018130 1067763024 /nfs/dbraw/zinc/76/30/24/1067763024.db2.gz BFRKTTJOOUMNQY-NRFANRHFSA-N 1 0 453.410 4.954 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@H]2C)CCS1 ZINC001546120952 1067765814 /nfs/dbraw/zinc/76/58/14/1067765814.db2.gz FQJFZMLFFVZIKQ-LJQANCHMSA-N 1 0 461.651 4.593 20 0 JJADRO C[C@H]1CN([C@H](C[NH2+]Cc2cc(Br)ccc2F)c2c(F)cccc2Cl)CCO1 ZINC001461053127 1067770623 /nfs/dbraw/zinc/77/06/23/1067770623.db2.gz ZZLPVJWPJTYUTJ-ORAYPTAESA-N 1 0 459.762 4.932 20 0 JJADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(F)c(Br)c1)NC(=O)OC(C)(C)C ZINC001461064730 1067773782 /nfs/dbraw/zinc/77/37/82/1067773782.db2.gz PZONSHSXCRWJFY-GOSISDBHSA-N 1 0 453.352 4.952 20 0 JJADRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1SC)c1ccccc1OCC(=O)N(C)C ZINC001461064838 1067774307 /nfs/dbraw/zinc/77/43/07/1067774307.db2.gz QXXOTQRYHRXNNP-GOSISDBHSA-N 1 0 451.430 4.879 20 0 JJADRO Nc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC001461068152 1067775071 /nfs/dbraw/zinc/77/50/71/1067775071.db2.gz HLGBOQLQQHJVCP-UHFFFAOYSA-N 1 0 455.194 4.800 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)cc1 ZINC001461069194 1067775303 /nfs/dbraw/zinc/77/53/03/1067775303.db2.gz UKJZUIFVXXFHEF-UHFFFAOYSA-N 1 0 458.606 4.959 20 0 JJADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC001461084675 1067778312 /nfs/dbraw/zinc/77/83/12/1067778312.db2.gz COBGTKWULAAIGK-UHFFFAOYSA-N 1 0 458.375 4.920 20 0 JJADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001461090106 1067779992 /nfs/dbraw/zinc/77/99/92/1067779992.db2.gz WMWMAPBNOFHXLG-DENIHFKCSA-N 1 0 459.631 4.710 20 0 JJADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001461094032 1067780984 /nfs/dbraw/zinc/78/09/84/1067780984.db2.gz CYCCEGKIWDCFOW-SFHVURJKSA-N 1 0 458.027 4.910 20 0 JJADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1cnn2cccc(Br)c12 ZINC001461095387 1067781295 /nfs/dbraw/zinc/78/12/95/1067781295.db2.gz IMKTZWHESGMLSH-UHFFFAOYSA-N 1 0 459.413 4.927 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+]CCc3ccccc3C(F)(F)F)o2)CC1 ZINC001461107552 1067783040 /nfs/dbraw/zinc/78/30/40/1067783040.db2.gz YAFPJTNFSGJHTI-UHFFFAOYSA-N 1 0 453.505 4.688 20 0 JJADRO CC(C)(C[NH2+]Cc1cc(Br)cc(Br)c1N)c1ccc2c(c1)OCO2 ZINC001461111063 1067784146 /nfs/dbraw/zinc/78/41/46/1067784146.db2.gz FTYCLHKNCZOPSR-UHFFFAOYSA-N 1 0 456.178 4.590 20 0 JJADRO COc1ccc(CC[NH2+]Cc2cc(Br)ccc2Br)c(OC)c1OC ZINC001461138154 1067787801 /nfs/dbraw/zinc/78/78/01/1067787801.db2.gz LMRLHFMLEBVESX-UHFFFAOYSA-N 1 0 459.178 4.570 20 0 JJADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(OC(F)F)ccc3Br)CC2)cc1 ZINC001461139055 1067787947 /nfs/dbraw/zinc/78/79/47/1067787947.db2.gz GCJBBRJDKRZXHG-UHFFFAOYSA-N 1 0 453.327 4.753 20 0 JJADRO COc1cc(Br)c(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c(OC)c1 ZINC001461144801 1067788552 /nfs/dbraw/zinc/78/85/52/1067788552.db2.gz VJMFJUAJOLKKRX-QGZVFWFLSA-N 1 0 454.368 4.570 20 0 JJADRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC001461144775 1067788726 /nfs/dbraw/zinc/78/87/26/1067788726.db2.gz UTQGOTKUAHMCLZ-OAHLLOKOSA-N 1 0 457.372 4.697 20 0 JJADRO COc1cc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)cc(Cl)c1OC ZINC001461156132 1067790683 /nfs/dbraw/zinc/79/06/83/1067790683.db2.gz MKUBUSYIEAEFPD-UHFFFAOYSA-N 1 0 453.808 4.874 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC001461158747 1067790973 /nfs/dbraw/zinc/79/09/73/1067790973.db2.gz DCCJWASAAQNYFF-FCHUYYIVSA-N 1 0 458.002 4.800 20 0 JJADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H](C)Sc1ccc(Br)cc1 ZINC001461159114 1067791065 /nfs/dbraw/zinc/79/10/65/1067791065.db2.gz HASGFTWLAFULEW-NSHDSACASA-N 1 0 452.340 4.703 20 0 JJADRO COc1cc(C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)cc(Br)c1OC ZINC001461180497 1067793870 /nfs/dbraw/zinc/79/38/70/1067793870.db2.gz LXHGQJAZXYPRDI-UHFFFAOYSA-N 1 0 450.764 4.810 20 0 JJADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC001461193570 1067796909 /nfs/dbraw/zinc/79/69/09/1067796909.db2.gz CTJZKPPKJQNDKN-HNNXBMFYSA-N 1 0 457.185 4.692 20 0 JJADRO Brc1ccc(-c2c[nH]c(CNCc3ccc(OCC[NH+]4CCCC4)cc3)n2)cc1 ZINC001461195051 1067797195 /nfs/dbraw/zinc/79/71/95/1067797195.db2.gz LAAHCTHYHUBADO-UHFFFAOYSA-N 1 0 455.400 4.604 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)ccc1OCc1ccncc1 ZINC001461196052 1067797446 /nfs/dbraw/zinc/79/74/46/1067797446.db2.gz OTHBRTANWGGLNX-HXUWFJFHSA-N 1 0 455.505 4.639 20 0 JJADRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCCC1 ZINC001461205403 1067799066 /nfs/dbraw/zinc/79/90/66/1067799066.db2.gz UUIONMOIBYRVEE-UHFFFAOYSA-N 1 0 452.521 4.877 20 0 JJADRO COc1ccc2oc(C[NH2+]CC(C)(C)S(=O)(=O)c3ccc(Br)cc3)cc2c1 ZINC001461210050 1067800311 /nfs/dbraw/zinc/80/03/11/1067800311.db2.gz ZXVHNSBDWGNOTM-UHFFFAOYSA-N 1 0 452.370 4.546 20 0 JJADRO Fc1ccc(-c2n[nH]cc2C[NH2+]CCSCCOc2cccc(Br)c2)cc1 ZINC001461215591 1067801073 /nfs/dbraw/zinc/80/10/73/1067801073.db2.gz AFEVPPYMPJLSSX-UHFFFAOYSA-N 1 0 450.377 4.880 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC001461216915 1067801781 /nfs/dbraw/zinc/80/17/81/1067801781.db2.gz LPDNGWPJUDDDER-PZJWPPBQSA-N 1 0 450.558 4.849 20 0 JJADRO FC(F)(F)Cc1ncc(C[NH2+]CCSCCOc2cccc(Br)c2)s1 ZINC001461221479 1067802704 /nfs/dbraw/zinc/80/27/04/1067802704.db2.gz XSEOUACTFWGSBG-UHFFFAOYSA-N 1 0 455.365 4.912 20 0 JJADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2cc(F)ccc2N2CCOCC2)c1 ZINC001461225618 1067804035 /nfs/dbraw/zinc/80/40/35/1067804035.db2.gz SUUUJXADZZNCMG-UHFFFAOYSA-N 1 0 452.574 4.579 20 0 JJADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001461227225 1067804335 /nfs/dbraw/zinc/80/43/35/1067804335.db2.gz CRJVVCHHOAZABK-UHFFFAOYSA-N 1 0 450.986 4.958 20 0 JJADRO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@@H](O)c1c(F)cccc1F ZINC001461258094 1067812355 /nfs/dbraw/zinc/81/23/55/1067812355.db2.gz PLBSMQUBWXDDJA-WIYYLYMNSA-N 1 0 450.327 4.823 20 0 JJADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC001461260408 1067812884 /nfs/dbraw/zinc/81/28/84/1067812884.db2.gz GFYVEUOSSULTKS-XJKSGUPXSA-N 1 0 450.473 4.617 20 0 JJADRO C[C@H]1C[C@@H](NCc2c(F)ccc(I)c2F)CC[N@@H+]1Cc1ccccc1 ZINC001461262412 1067813474 /nfs/dbraw/zinc/81/34/74/1067813474.db2.gz GZUUZYHNIHAHJJ-HOCLYGCPSA-N 1 0 456.318 4.712 20 0 JJADRO OCC1(C[NH2+]Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)CC1 ZINC001461271102 1067814823 /nfs/dbraw/zinc/81/48/23/1067814823.db2.gz YHLCXQAHRLWKBI-UHFFFAOYSA-N 1 0 455.190 4.653 20 0 JJADRO CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001461298912 1067821934 /nfs/dbraw/zinc/82/19/34/1067821934.db2.gz GPOZPWLIIMTOLS-YTQUADARSA-N 1 0 450.608 4.890 20 0 JJADRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001461302739 1067822992 /nfs/dbraw/zinc/82/29/92/1067822992.db2.gz YLDXAAKZXXNCCC-RCCFBDPRSA-N 1 0 455.396 4.735 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001461306990 1067824590 /nfs/dbraw/zinc/82/45/90/1067824590.db2.gz HJSNQINRAHZXMH-CAMMJAKZSA-N 1 0 450.549 4.676 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1 ZINC001461313610 1067826058 /nfs/dbraw/zinc/82/60/58/1067826058.db2.gz KNVALBWBUZHTRC-UHFFFAOYSA-N 1 0 458.647 4.950 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2cnc3ccc(Br)cn23)c1 ZINC001461315629 1067826505 /nfs/dbraw/zinc/82/65/05/1067826505.db2.gz RVVFRTUVPBJJMS-UHFFFAOYSA-N 1 0 456.388 4.523 20 0 JJADRO CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(SCC[NH+]4CCCC4)cc3)cc2C1=O ZINC001461317571 1067827259 /nfs/dbraw/zinc/82/72/59/1067827259.db2.gz YAEGRLFDXVKPTQ-UHFFFAOYSA-N 1 0 451.592 4.523 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2ccc(Br)cc2SC)c1 ZINC001461319185 1067827322 /nfs/dbraw/zinc/82/73/22/1067827322.db2.gz VCILQJAGDLBXQE-UHFFFAOYSA-N 1 0 450.446 4.855 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001461325391 1067828612 /nfs/dbraw/zinc/82/86/12/1067828612.db2.gz KSAQFGYNFCKMBM-FLFAWLEMSA-N 1 0 464.650 4.951 20 0 JJADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3ccccc3CCc3ccccc3)cc2)CC1 ZINC001461336979 1067831883 /nfs/dbraw/zinc/83/18/83/1067831883.db2.gz SNCXIUXBGRNRKD-UHFFFAOYSA-N 1 0 457.618 4.740 20 0 JJADRO O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001461337077 1067832142 /nfs/dbraw/zinc/83/21/42/1067832142.db2.gz YURMGNBNAFXUSZ-MOPGFXCFSA-N 1 0 453.435 4.880 20 0 JJADRO COc1cc(C[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)cc(Br)c1O ZINC001461340958 1067833916 /nfs/dbraw/zinc/83/39/16/1067833916.db2.gz UHYSGVABGZKFIB-NRFANRHFSA-N 1 0 458.352 4.566 20 0 JJADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC001461344470 1067834735 /nfs/dbraw/zinc/83/47/35/1067834735.db2.gz JTUCAXRQUCCLPZ-LEWJYISDSA-N 1 0 462.421 4.752 20 0 JJADRO CCOc1ccc(Cl)cc1C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC001461353077 1067836728 /nfs/dbraw/zinc/83/67/28/1067836728.db2.gz HJMGJQSXCJMZSL-UHFFFAOYSA-N 1 0 451.032 4.590 20 0 JJADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(I)c(C)cc1C ZINC001461355720 1067837236 /nfs/dbraw/zinc/83/72/36/1067837236.db2.gz GDMNUDVALATWEQ-NQIIRXRSSA-N 1 0 460.359 4.665 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC001461360129 1067838531 /nfs/dbraw/zinc/83/85/31/1067838531.db2.gz UYNJKKIKYBGCQL-HXUWFJFHSA-N 1 0 459.425 4.694 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC001461373268 1067841058 /nfs/dbraw/zinc/84/10/58/1067841058.db2.gz QSOZCJKBSXEWSR-SFHVURJKSA-N 1 0 454.416 4.653 20 0 JJADRO COc1c(Br)cc(Br)cc1C[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC001461373752 1067841107 /nfs/dbraw/zinc/84/11/07/1067841107.db2.gz KCKMQYRANFXLTD-GOSISDBHSA-N 1 0 455.190 4.824 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001461379031 1067842328 /nfs/dbraw/zinc/84/23/28/1067842328.db2.gz JUYSUHGLJHIJLJ-ZTVFFDQVSA-N 1 0 483.697 4.934 20 0 JJADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC001461382646 1067843455 /nfs/dbraw/zinc/84/34/55/1067843455.db2.gz MZMDMAPJCNXMMI-SGTLLEGYSA-N 1 0 453.178 4.725 20 0 JJADRO Cc1ccc(Cl)cc1Oc1ccccc1C[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC001461396545 1067845853 /nfs/dbraw/zinc/84/58/53/1067845853.db2.gz ALAASOUJAJTEEG-UHFFFAOYSA-N 1 0 451.032 4.981 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NCc3c[nH]nc3-c3ccc(Br)cc3)cc2)CC1 ZINC001461402242 1067847125 /nfs/dbraw/zinc/84/71/25/1067847125.db2.gz UWWCIPTZPCWLTQ-UHFFFAOYSA-N 1 0 454.416 4.982 20 0 JJADRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461421670 1067852826 /nfs/dbraw/zinc/85/28/26/1067852826.db2.gz YCAUSXFOSZIZQL-ODGPQVTHSA-N 1 0 453.631 4.899 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001461427609 1067853573 /nfs/dbraw/zinc/85/35/73/1067853573.db2.gz FPNTYKYWTAXDJO-HNNXBMFYSA-N 1 0 459.849 4.791 20 0 JJADRO COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C)ccc1OCCOc1cccc(Br)c1 ZINC001461428928 1067853894 /nfs/dbraw/zinc/85/38/94/1067853894.db2.gz AOOCLZDDBMTWDB-OPAMFIHVSA-N 1 0 450.373 4.573 20 0 JJADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1(C)C ZINC001461430811 1067854497 /nfs/dbraw/zinc/85/44/97/1067854497.db2.gz ADHOPOXBLLRBHN-NFBKMPQASA-N 1 0 451.394 4.901 20 0 JJADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC001461434620 1067855434 /nfs/dbraw/zinc/85/54/34/1067855434.db2.gz VPMARAPVDVLMBE-GOSISDBHSA-N 1 0 456.428 4.873 20 0 JJADRO COc1cc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 ZINC001461439803 1067856769 /nfs/dbraw/zinc/85/67/69/1067856769.db2.gz GLIIUSVYIAELMU-LJQANCHMSA-N 1 0 457.567 4.674 20 0 JJADRO CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1OCC ZINC001461438008 1067856939 /nfs/dbraw/zinc/85/69/39/1067856939.db2.gz WRMIAWAQFWHADL-UHFFFAOYSA-N 1 0 450.501 4.897 20 0 JJADRO CCOC(=O)c1csc(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)n1 ZINC001461442151 1067857176 /nfs/dbraw/zinc/85/71/76/1067857176.db2.gz XSMUPDHYUYGTJY-UHFFFAOYSA-N 1 0 452.605 4.625 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3CCN(c4ccccc4C(F)(F)F)C3)C[C@H]2C1 ZINC001461443836 1067857686 /nfs/dbraw/zinc/85/76/86/1067857686.db2.gz IUWRZRPPEZOYBN-VJANTYMQSA-N 1 0 453.549 4.909 20 0 JJADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC001461450169 1067859547 /nfs/dbraw/zinc/85/95/47/1067859547.db2.gz ZJFNOJJLVRSMOL-MUUNZHRXSA-N 1 0 457.574 4.944 20 0 JJADRO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C(F)(F)F)CC1 ZINC001461456693 1067861251 /nfs/dbraw/zinc/86/12/51/1067861251.db2.gz UAMSHDFXVSJNSE-INIZCTEOSA-N 1 0 456.336 4.567 20 0 JJADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1Br ZINC001461456282 1067861309 /nfs/dbraw/zinc/86/13/09/1067861309.db2.gz RQLJRRWUDMRITL-QRQCRPRQSA-N 1 0 452.364 4.583 20 0 JJADRO C[C@H](CCc1ccc(I)cc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC001461459757 1067861708 /nfs/dbraw/zinc/86/17/08/1067861708.db2.gz IVUQBEFOJWWGQD-CYBMUJFWSA-N 1 0 457.739 4.827 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]CCc3ccccc3Br)sc2C1 ZINC001461460717 1067862376 /nfs/dbraw/zinc/86/23/76/1067862376.db2.gz NBGOFUWXKIRMCM-UHFFFAOYSA-N 1 0 452.418 4.531 20 0 JJADRO C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001461464255 1067863071 /nfs/dbraw/zinc/86/30/71/1067863071.db2.gz PIHIFLJPHQEMMH-RMHQSFGDSA-N 1 0 451.311 4.849 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]Cc3ccncc3OCC(F)(F)F)cccc2C1 ZINC001461465048 1067863772 /nfs/dbraw/zinc/86/37/72/1067863772.db2.gz OZXUFZMHIPQBQI-UHFFFAOYSA-N 1 0 451.489 4.606 20 0 JJADRO CCn1c(Br)c(Br)nc1CNc1ccc(Cl)c(C[NH+](C)C)c1 ZINC001461466074 1067864147 /nfs/dbraw/zinc/86/41/47/1067864147.db2.gz ULXWSQNAXSNWBR-UHFFFAOYSA-N 1 0 450.606 4.755 20 0 JJADRO Cc1cccc(NC(=O)CSCC(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)c1 ZINC001461473434 1067866801 /nfs/dbraw/zinc/86/68/01/1067866801.db2.gz HCMUDHOIVTWHLS-UHFFFAOYSA-N 1 0 454.621 4.509 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc(I)c1OC ZINC001461477287 1067868757 /nfs/dbraw/zinc/86/87/57/1067868757.db2.gz BOKNVQLXTJQTQU-NVXWUHKLSA-N 1 0 455.311 4.873 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001461479270 1067870120 /nfs/dbraw/zinc/87/01/20/1067870120.db2.gz GXEMGZNGCHPNGN-GOSISDBHSA-N 1 0 456.940 4.803 20 0 JJADRO COc1nsc(C[NH2+]CC2(c3ccc(Br)s3)CCC2)c1Br ZINC001461491978 1067875055 /nfs/dbraw/zinc/87/50/55/1067875055.db2.gz DCSVVCNCAPHVGL-UHFFFAOYSA-N 1 0 452.237 4.950 20 0 JJADRO C[C@](CO)([NH2+]Cc1ccnc2c(Br)cccc12)c1ccc(Br)cc1 ZINC001461498042 1067876435 /nfs/dbraw/zinc/87/64/35/1067876435.db2.gz JQEYAFJTHQOETD-LJQANCHMSA-N 1 0 450.174 4.757 20 0 JJADRO Cc1ccc(C[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c(C)c1Br ZINC001461500350 1067877208 /nfs/dbraw/zinc/87/72/08/1067877208.db2.gz HRDAVNQHHKDTNG-HSZRJFAPSA-N 1 0 456.384 4.581 20 0 JJADRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001461503252 1067877668 /nfs/dbraw/zinc/87/76/68/1067877668.db2.gz GMBJMLZXWHTUBL-RIZRQHADSA-N 1 0 455.643 4.616 20 0 JJADRO Cc1cc(C[NH2+]C2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)ccc1C(F)(F)F ZINC001461511706 1067879422 /nfs/dbraw/zinc/87/94/22/1067879422.db2.gz CSLJODSNYYAQAU-QGZVFWFLSA-N 1 0 454.558 4.733 20 0 JJADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)[C@H]1n1cccn1 ZINC001461513708 1067879600 /nfs/dbraw/zinc/87/96/00/1067879600.db2.gz JVLJVBHPSIWQIK-GVDBMIGSSA-N 1 0 457.210 4.695 20 0 JJADRO CC(C)CCOc1ccc(C[NH2+]CC2(N3CCN(c4ccccc4)CC3)CCOCC2)cc1 ZINC001461511697 1067879632 /nfs/dbraw/zinc/87/96/32/1067879632.db2.gz AQFJRRVQSCFREQ-UHFFFAOYSA-N 1 0 451.655 4.573 20 0 JJADRO COc1cc(C[NH2+]Cc2cnccc2C)ccc1OCCOc1cccc(Br)c1 ZINC001461526056 1067881510 /nfs/dbraw/zinc/88/15/10/1067881510.db2.gz ZNKVHUCLZXIZII-UHFFFAOYSA-N 1 0 457.368 4.909 20 0 JJADRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1=O ZINC001461529057 1067881665 /nfs/dbraw/zinc/88/16/65/1067881665.db2.gz DLFCVSWRZBZRMM-WZONZLPQSA-N 1 0 455.574 4.692 20 0 JJADRO FC(F)(F)Cc1noc(-c2cccc(C[NH2+]Cc3c(C(F)(F)F)nc4n3CCCC4)c2)n1 ZINC001461545038 1067885599 /nfs/dbraw/zinc/88/55/99/1067885599.db2.gz ZRGWFIRXRSBJFS-UHFFFAOYSA-N 1 0 459.394 4.683 20 0 JJADRO CCc1ccccc1[C@H](C[NH2+]Cc1cc2c(C)nn(C)c2nc1Cl)NC(=O)OC(C)(C)C ZINC001461545091 1067885647 /nfs/dbraw/zinc/88/56/47/1067885647.db2.gz CIJMNEOAXQVHKT-FQEVSTJZSA-N 1 0 458.006 4.848 20 0 JJADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccc2)CCO1 ZINC001461577271 1067892579 /nfs/dbraw/zinc/89/25/79/1067892579.db2.gz XHABRMULESFUML-IRLDBZIGSA-N 1 0 456.384 4.772 20 0 JJADRO CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1 ZINC001461583613 1067893881 /nfs/dbraw/zinc/89/38/81/1067893881.db2.gz QNRLZWQMHTUXTI-UHFFFAOYSA-N 1 0 451.636 4.715 20 0 JJADRO CCOc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)cc(OCC)c1OCC ZINC001461595355 1067896844 /nfs/dbraw/zinc/89/68/44/1067896844.db2.gz GAWNDYVOCJRPLM-HSZRJFAPSA-N 1 0 454.611 4.865 20 0 JJADRO COc1ccc(CCC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c(Br)c1 ZINC001461595197 1067897096 /nfs/dbraw/zinc/89/70/96/1067897096.db2.gz FQILAQXJXJSAFV-HSZRJFAPSA-N 1 0 459.428 4.759 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CC[N@@H+]1Cc1ccccc1 ZINC001461597466 1067897914 /nfs/dbraw/zinc/89/79/14/1067897914.db2.gz KCIMVTQZSAGTKG-QHCPKHFHSA-N 1 0 452.396 4.980 20 0 JJADRO CNC(=O)[C@H](C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccc(OC)c(F)c1 ZINC001461601775 1067898986 /nfs/dbraw/zinc/89/89/86/1067898986.db2.gz SCGLCHYZWDKTMB-QFIPXVFZSA-N 1 0 459.565 4.532 20 0 JJADRO CC[C@@H]([NH2+]Cc1cc(I)c(Br)cc1F)[C@H]1CCCCO1 ZINC001461607615 1067900351 /nfs/dbraw/zinc/90/03/51/1067900351.db2.gz LWFXJEFIWYHCNY-HUUCEWRRSA-N 1 0 456.137 4.630 20 0 JJADRO COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001461614628 1067902267 /nfs/dbraw/zinc/90/22/67/1067902267.db2.gz AMXDDHKQMJUZLK-RISCZKNCSA-N 1 0 463.210 4.820 20 0 JJADRO COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)ccc1OCc1ccncc1 ZINC001461616944 1067902424 /nfs/dbraw/zinc/90/24/24/1067902424.db2.gz HKTHVVKPQIUDER-XZOQPEGZSA-N 1 0 453.583 4.595 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)Cc2ccccc21 ZINC001461617478 1067902445 /nfs/dbraw/zinc/90/24/45/1067902445.db2.gz PITWAFDIMOZZGD-DEOSSOPVSA-N 1 0 453.602 4.789 20 0 JJADRO CCOc1cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC001461617475 1067902482 /nfs/dbraw/zinc/90/24/82/1067902482.db2.gz PICNVCWPMAUKDY-NOZRDPDXSA-N 1 0 461.562 4.508 20 0 JJADRO COc1cc(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)ccc1OCc1ccncc1 ZINC001461616939 1067902632 /nfs/dbraw/zinc/90/26/32/1067902632.db2.gz HKTHVVKPQIUDER-DHIUTWEWSA-N 1 0 453.583 4.595 20 0 JJADRO COc1cc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)ccc1OCc1c(C)noc1C ZINC001461619030 1067902937 /nfs/dbraw/zinc/90/29/37/1067902937.db2.gz PTRMXVDACQFXSU-UHFFFAOYSA-N 1 0 459.587 4.806 20 0 JJADRO COc1ccc(C[NH2+]C[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)c(Br)c1O ZINC001461622629 1067903767 /nfs/dbraw/zinc/90/37/67/1067903767.db2.gz YYQBJWQXOJZOQD-QFIPXVFZSA-N 1 0 450.373 4.553 20 0 JJADRO CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1CC[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC001461624195 1067904092 /nfs/dbraw/zinc/90/40/92/1067904092.db2.gz SKGFXGQMNLWXIF-FQEVSTJZSA-N 1 0 451.546 4.643 20 0 JJADRO CN1CC[NH+](CCCOc2ccc(NCc3cnc(-c4c(F)cccc4F)s3)cc2)CC1 ZINC001461628961 1067905248 /nfs/dbraw/zinc/90/52/48/1067905248.db2.gz ZQRGFHNHDOLGHC-UHFFFAOYSA-N 1 0 458.578 4.717 20 0 JJADRO C[NH+](C)CCNC(=O)c1ccc(NCc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 ZINC001461635540 1067906355 /nfs/dbraw/zinc/90/63/55/1067906355.db2.gz BVBYYCQGKKWANI-UHFFFAOYSA-N 1 0 454.018 4.862 20 0 JJADRO CC(C)[C@@H](CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)NC(=O)OC(C)(C)C ZINC001461644357 1067908449 /nfs/dbraw/zinc/90/84/49/1067908449.db2.gz BNDGCFVPBKBQBG-QGZVFWFLSA-N 1 0 451.409 4.868 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001461644505 1067908538 /nfs/dbraw/zinc/90/85/38/1067908538.db2.gz VABLURRMBYZEBN-DHIUTWEWSA-N 1 0 467.411 4.774 20 0 JJADRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC001461648525 1067909467 /nfs/dbraw/zinc/90/94/67/1067909467.db2.gz LMBCCLFCMBJTHL-UHFFFAOYSA-N 1 0 451.011 4.622 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC001461656286 1067911350 /nfs/dbraw/zinc/91/13/50/1067911350.db2.gz LIJWZSMRYFGKND-IBGZPJMESA-N 1 0 453.612 4.868 20 0 JJADRO COc1ccc(C2([NH2+]Cc3cn(-c4ccccc4Br)nc3C)CCOCC2)cc1 ZINC001461659613 1067912119 /nfs/dbraw/zinc/91/21/19/1067912119.db2.gz YVGXBBCZHWMCJZ-UHFFFAOYSA-N 1 0 456.384 4.747 20 0 JJADRO COc1cc(Br)c(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001461664632 1067913490 /nfs/dbraw/zinc/91/34/90/1067913490.db2.gz UGFXKMIMAUMFDW-FQEVSTJZSA-N 1 0 459.428 4.858 20 0 JJADRO CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC001546126114 1067914238 /nfs/dbraw/zinc/91/42/38/1067914238.db2.gz RBFRJPNAHAVMRK-FQEVSTJZSA-N 1 0 473.637 4.685 20 0 JJADRO COc1ccc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c(OCc2cccnc2)c1 ZINC001461676511 1067915837 /nfs/dbraw/zinc/91/58/37/1067915837.db2.gz PPSFSMFMGDXFSX-XYWHTSSQSA-N 1 0 455.599 4.842 20 0 JJADRO Cc1cc(Cl)ccc1Oc1ccc(F)cc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC001461677942 1067916360 /nfs/dbraw/zinc/91/63/60/1067916360.db2.gz WXAUPUOAKBVKLZ-QHCPKHFHSA-N 1 0 455.961 4.965 20 0 JJADRO C[C@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CN1C(=O)OC(C)(C)C ZINC001461684930 1067917748 /nfs/dbraw/zinc/91/77/48/1067917748.db2.gz RXHUANPNBBBXHX-JSGCOSHPSA-N 1 0 455.422 4.778 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)sc2Br)C1 ZINC001461688559 1067918632 /nfs/dbraw/zinc/91/86/32/1067918632.db2.gz BQCGQOQBVUURJR-JGZJWPJOSA-N 1 0 454.228 4.666 20 0 JJADRO COc1cc(C[NH2+]C[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc(Br)c1O ZINC001461692645 1067919575 /nfs/dbraw/zinc/91/95/75/1067919575.db2.gz MJRRDHZZZQGLDG-HNNXBMFYSA-N 1 0 457.409 4.679 20 0 JJADRO C[C@H](C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001461698535 1067920880 /nfs/dbraw/zinc/92/08/80/1067920880.db2.gz RIFZDJHXPUPPRL-GFCCVEGCSA-N 1 0 450.320 4.765 20 0 JJADRO CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CCCC1 ZINC001546126385 1067921243 /nfs/dbraw/zinc/92/12/43/1067921243.db2.gz VVSSDOZNUQEKIW-SFTDATJTSA-N 1 0 473.637 4.685 20 0 JJADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1csc(-c2sccc2Br)n1 ZINC001461702927 1067921922 /nfs/dbraw/zinc/92/19/22/1067921922.db2.gz NTIAVGSGTOALSC-DZGCQCFKSA-N 1 0 456.475 4.898 20 0 JJADRO CCOc1cc(CNc2ccc(N3CC[NH+](CC)CC3)c(F)c2)ccc1OCC(F)(F)F ZINC001461702795 1067922008 /nfs/dbraw/zinc/92/20/08/1067922008.db2.gz DCEWKTROMHIBJJ-UHFFFAOYSA-N 1 0 455.496 4.920 20 0 JJADRO CCCOc1c(Cl)cc(C[NH2+]C[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1OCC ZINC001461736887 1067927719 /nfs/dbraw/zinc/92/77/19/1067927719.db2.gz RQDAYFRURRZZKY-HSZRJFAPSA-N 1 0 457.011 4.643 20 0 JJADRO Brc1cnn(C2(C[NH2+]Cc3ccc(-c4ccc(Br)cc4)o3)CC2)c1 ZINC001461735983 1067927862 /nfs/dbraw/zinc/92/78/62/1067927862.db2.gz MEOGYJTXCHVOFM-UHFFFAOYSA-N 1 0 451.162 4.947 20 0 JJADRO FC(F)(F)c1ccc(Br)c(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC001461737385 1067927877 /nfs/dbraw/zinc/92/78/77/1067927877.db2.gz UMCVOTAFLWIRKC-UHFFFAOYSA-N 1 0 453.100 4.706 20 0 JJADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCOc4ccc(Br)cc43)cnc12 ZINC001461748952 1067929751 /nfs/dbraw/zinc/92/97/51/1067929751.db2.gz CJIJELRZCALVPH-INIZCTEOSA-N 1 0 451.162 4.781 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC001461752277 1067930580 /nfs/dbraw/zinc/93/05/80/1067930580.db2.gz QKDZEWIGSOSGLU-LBPRGKRZSA-N 1 0 455.290 4.709 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)cc2)CC1 ZINC001461753898 1067930949 /nfs/dbraw/zinc/93/09/49/1067930949.db2.gz MHIAQTTZVRBIIJ-PLNGDYQASA-N 1 0 457.565 4.821 20 0 JJADRO CC[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1OC)C(=O)OC(C)(C)C ZINC001461774794 1067934894 /nfs/dbraw/zinc/93/48/94/1067934894.db2.gz LQPYWQUWTXYZJK-NSHDSACASA-N 1 0 451.199 4.678 20 0 JJADRO CO[C@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CCSC1 ZINC001461775390 1067935354 /nfs/dbraw/zinc/93/53/54/1067935354.db2.gz FLRHEHISHMHCMQ-QFIPXVFZSA-N 1 0 458.425 4.914 20 0 JJADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001461778209 1067935699 /nfs/dbraw/zinc/93/56/99/1067935699.db2.gz PQZVQEQMFICOEF-PKOBYXMFSA-N 1 0 450.986 4.815 20 0 JJADRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)C(F)(F)F ZINC001461779857 1067936113 /nfs/dbraw/zinc/93/61/13/1067936113.db2.gz XGKLITHRLFHOSB-XITLMJRVSA-N 1 0 451.308 4.506 20 0 JJADRO FC(F)(F)c1cc(Br)cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC001461815641 1067941258 /nfs/dbraw/zinc/94/12/58/1067941258.db2.gz ILOHWMRMDASLNC-GFCCVEGCSA-N 1 0 453.100 4.532 20 0 JJADRO FC(F)(F)c1cc(Br)cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC001461815649 1067941388 /nfs/dbraw/zinc/94/13/88/1067941388.db2.gz ILOHWMRMDASLNC-LBPRGKRZSA-N 1 0 453.100 4.532 20 0 JJADRO Brc1cc(Br)cc(C[NH2+][C@@H]2C[C@]3(CCOC3)Oc3ccccc32)c1 ZINC001461835438 1067944073 /nfs/dbraw/zinc/94/40/73/1067944073.db2.gz IIPLYQARAKZUAL-MJGOQNOKSA-N 1 0 453.174 4.984 20 0 JJADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cnn1C ZINC001461844444 1067945721 /nfs/dbraw/zinc/94/57/21/1067945721.db2.gz KZFZFYKPQBZSII-SFHVURJKSA-N 1 0 454.537 4.563 20 0 JJADRO CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001461848865 1067946259 /nfs/dbraw/zinc/94/62/59/1067946259.db2.gz DMTTZKRUPDJCQM-NRFANRHFSA-N 1 0 456.656 4.705 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)n2)cc1 ZINC001461849744 1067946663 /nfs/dbraw/zinc/94/66/63/1067946663.db2.gz NBPBJTOVNLJPGV-UXHICEINSA-N 1 0 451.489 4.983 20 0 JJADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001461855763 1067948206 /nfs/dbraw/zinc/94/82/06/1067948206.db2.gz ZUUVXRPHIMDNBL-QGZVFWFLSA-N 1 0 455.546 4.832 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)C1 ZINC001461867318 1067950510 /nfs/dbraw/zinc/95/05/10/1067950510.db2.gz IMPCIIWQWNBZNW-QHCPKHFHSA-N 1 0 453.986 4.777 20 0 JJADRO C[N@H+](Cc1ccnc2c(Br)cccc12)[C@H](CO)c1cccc(Br)c1 ZINC001461874274 1067952153 /nfs/dbraw/zinc/95/21/53/1067952153.db2.gz QGPRXHAMSUWKMN-GOSISDBHSA-N 1 0 450.174 4.925 20 0 JJADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)CC[C@@H]2CCCO2)c1 ZINC001461881532 1067953690 /nfs/dbraw/zinc/95/36/90/1067953690.db2.gz DUTNEIRUJUFCHN-IRXDYDNUSA-N 1 0 458.430 4.597 20 0 JJADRO Cc1cnccc1C(=O)Nc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(Cl)c1Cl ZINC001461887611 1067954991 /nfs/dbraw/zinc/95/49/91/1067954991.db2.gz WYWCJHQZTOJGEX-INIZCTEOSA-N 1 0 451.398 4.655 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)Cc2ccccc2)c1 ZINC001461888220 1067955049 /nfs/dbraw/zinc/95/50/49/1067955049.db2.gz ZMBAUXYMDOOXJF-GOSISDBHSA-N 1 0 450.410 4.881 20 0 JJADRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC001461895638 1067956536 /nfs/dbraw/zinc/95/65/36/1067956536.db2.gz DMLAHOAFEHKQLA-UHFFFAOYSA-N 1 0 453.587 4.889 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001461899913 1067957653 /nfs/dbraw/zinc/95/76/53/1067957653.db2.gz IPIDTVFFQBSYCL-UHFFFAOYSA-N 1 0 451.014 4.595 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1)C(=O)OC(C)(C)C ZINC001461902405 1067958563 /nfs/dbraw/zinc/95/85/63/1067958563.db2.gz NVEFIIVNXPOSLT-CYBMUJFWSA-N 1 0 455.422 4.590 20 0 JJADRO C[C@H](c1ccc2ccccc2c1)[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC001461907583 1067959216 /nfs/dbraw/zinc/95/92/16/1067959216.db2.gz OYVCRHCLVYXCEI-OAHLLOKOSA-N 1 0 459.409 4.975 20 0 JJADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001461907125 1067959246 /nfs/dbraw/zinc/95/92/46/1067959246.db2.gz NNQKVWIYQMCOGZ-UHFFFAOYSA-N 1 0 457.500 4.736 20 0 JJADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC001461928363 1067962886 /nfs/dbraw/zinc/96/28/86/1067962886.db2.gz RPOLSAQDBFGFDM-DNQXCXABSA-N 1 0 457.659 4.627 20 0 JJADRO CN(C[C@@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)OC(C)(C)C ZINC001461931833 1067963167 /nfs/dbraw/zinc/96/31/67/1067963167.db2.gz BYSLWCCYNIAKNH-FQEVSTJZSA-N 1 0 452.521 4.782 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001461948947 1067967187 /nfs/dbraw/zinc/96/71/87/1067967187.db2.gz JLQLREVTCIDTDY-VXKWHMMOSA-N 1 0 457.594 4.586 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC001461967082 1067970883 /nfs/dbraw/zinc/97/08/83/1067970883.db2.gz ZTDUTFJXXFVXKM-KDURUIRLSA-N 1 0 459.631 4.975 20 0 JJADRO COC(=O)c1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1Br ZINC001461968520 1067971589 /nfs/dbraw/zinc/97/15/89/1067971589.db2.gz WYSVVIYUZWLCIT-UHFFFAOYSA-N 1 0 457.412 4.724 20 0 JJADRO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccc(OCC(=O)OC)cc1 ZINC001461999731 1067977581 /nfs/dbraw/zinc/97/75/81/1067977581.db2.gz REIJPVIDGVFKDV-NRFANRHFSA-N 1 0 450.501 4.748 20 0 JJADRO CN(C)c1cc(Br)cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC001462041416 1067987838 /nfs/dbraw/zinc/98/78/38/1067987838.db2.gz HRIADGFKVPTKBP-GOSISDBHSA-N 1 0 459.215 4.855 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)c1cnc(Br)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001462041563 1067987856 /nfs/dbraw/zinc/98/78/56/1067987856.db2.gz IXEMLVLOAHPCQR-CQSZACIVSA-N 1 0 451.579 4.837 20 0 JJADRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC001462045231 1067988473 /nfs/dbraw/zinc/98/84/73/1067988473.db2.gz BZBLKBYTZDTYDW-SBUREZEXSA-N 1 0 450.970 4.608 20 0 JJADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCCN(Cc4ccccc4)C3)C2=O)ccc1Br ZINC001462047813 1067989507 /nfs/dbraw/zinc/98/95/07/1067989507.db2.gz BNEGBJCHOWEJKN-OFNKIYASSA-N 1 0 456.428 4.507 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)c1cc(COc2ccccc2F)on1)c1ccc(Cl)c(Cl)c1 ZINC001462051782 1067991141 /nfs/dbraw/zinc/99/11/41/1067991141.db2.gz OAZFWECUUAWNAD-LJQANCHMSA-N 1 0 452.313 4.732 20 0 JJADRO Cc1cc(N2CCC[C@H](NC3CC[NH+](Cc4ccccc4)CC3)C2=O)ccc1Br ZINC001462055998 1067992459 /nfs/dbraw/zinc/99/24/59/1067992459.db2.gz SLSPRIQWERFDCJ-QHCPKHFHSA-N 1 0 456.428 4.507 20 0 JJADRO Cc1cc(N2CCC[C@@H](NC3CC[NH+](Cc4ccccc4)CC3)C2=O)ccc1Br ZINC001462055995 1067992605 /nfs/dbraw/zinc/99/26/05/1067992605.db2.gz SLSPRIQWERFDCJ-HSZRJFAPSA-N 1 0 456.428 4.507 20 0 JJADRO O=C(C=C1CCC1)Nc1cc(Br)ccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001462064845 1067994655 /nfs/dbraw/zinc/99/46/55/1067994655.db2.gz JLWOCKJKAXZLLG-UHFFFAOYSA-N 1 0 454.412 4.816 20 0 JJADRO COC(=O)c1ccc(COc2ccc(C[NH+]3CCC(Cc4cccnc4)CC3)cc2OC)o1 ZINC001462070827 1067996221 /nfs/dbraw/zinc/99/62/21/1067996221.db2.gz IGDNMKTVNAUXSI-UHFFFAOYSA-N 1 0 450.535 4.504 20 0 JJADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001462076350 1067997054 /nfs/dbraw/zinc/99/70/54/1067997054.db2.gz SADNPSFDKJVUSI-UHFFFAOYSA-N 1 0 454.409 4.512 20 0 JJADRO OC[C@@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)Cc1cccc(Br)c1 ZINC001462082992 1067998075 /nfs/dbraw/zinc/99/80/75/1067998075.db2.gz KJZISYAPSSSPLS-XRTORIHISA-N 1 0 453.218 4.898 20 0 JJADRO CCOc1cc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc(Br)c1O ZINC001462090082 1067999611 /nfs/dbraw/zinc/99/96/11/1067999611.db2.gz VWMKTUFEUHYLQA-IRLDBZIGSA-N 1 0 452.364 4.556 20 0 JJADRO CCOC(=O)[C@](C)(C[NH2+]C1CCN(Cc2ccccc2Br)CC1)c1ccccc1 ZINC001462093344 1068001064 /nfs/dbraw/zinc/00/10/64/1068001064.db2.gz INKCRJRJKCAWLA-XMMPIXPASA-N 1 0 459.428 4.524 20 0 JJADRO CCOC(=O)[C@@](C)(C[NH2+]C1CCN(Cc2ccccc2Br)CC1)c1ccccc1 ZINC001462093342 1068001285 /nfs/dbraw/zinc/00/12/85/1068001285.db2.gz INKCRJRJKCAWLA-DEOSSOPVSA-N 1 0 459.428 4.524 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)CCCOc2ccccc2F)cc1 ZINC001462107045 1068004557 /nfs/dbraw/zinc/00/45/57/1068004557.db2.gz ITGBJRBYVAQUNP-AZGAKELHSA-N 1 0 462.565 4.778 20 0 JJADRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2cc(Br)ccc2Br)cc1 ZINC001462107832 1068005166 /nfs/dbraw/zinc/00/51/66/1068005166.db2.gz ATFZMZFLZNOARQ-AWEZNQCLSA-N 1 0 457.206 4.958 20 0 JJADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](C(=O)OCc2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001462108849 1068006027 /nfs/dbraw/zinc/00/60/27/1068006027.db2.gz AVSSLUWOBWYMCI-HUVFLSCGSA-N 1 0 452.595 4.891 20 0 JJADRO COc1ccc(CCC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001462120784 1068009108 /nfs/dbraw/zinc/00/91/08/1068009108.db2.gz TWKBGWLIVVBJOC-OAQYLSRUSA-N 1 0 459.428 4.951 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001462122586 1068009514 /nfs/dbraw/zinc/00/95/14/1068009514.db2.gz NBABADORLDGUJY-IRLDBZIGSA-N 1 0 451.998 4.824 20 0 JJADRO C[C@H](O)C[NH+]1CCN(Cc2ccc(Br)cc2Oc2ccc(F)c(Cl)c2)CC1 ZINC001462132205 1068012361 /nfs/dbraw/zinc/01/23/61/1068012361.db2.gz UFZHGNAXXIBTKQ-AWEZNQCLSA-N 1 0 457.771 4.532 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C(F)(F)F ZINC001462132932 1068012547 /nfs/dbraw/zinc/01/25/47/1068012547.db2.gz ZASLLQHCBZHDQL-QUCCMNQESA-N 1 0 456.512 4.697 20 0 JJADRO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)ccc1I ZINC001462162611 1068019436 /nfs/dbraw/zinc/01/94/36/1068019436.db2.gz MPBRHJBTWWSUQI-QGZVFWFLSA-N 1 0 456.368 4.621 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001462165647 1068020320 /nfs/dbraw/zinc/02/03/20/1068020320.db2.gz XREKIDPPMRITQH-XMSQKQJNSA-N 1 0 452.437 4.655 20 0 JJADRO Brc1cccc(OCCN(Cc2cn(C3CCC3)nn2)C[C@@H]2CCCS2)c1 ZINC001462170624 1068021402 /nfs/dbraw/zinc/02/14/02/1068021402.db2.gz OZYRELWWFAZTRH-FQEVSTJZSA-N 1 0 451.434 4.542 20 0 JJADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462173142 1068021850 /nfs/dbraw/zinc/02/18/50/1068021850.db2.gz AHMFHWMESXDKGO-INIZCTEOSA-N 1 0 457.334 4.550 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)Cc1ccncc1 ZINC001462191278 1068025492 /nfs/dbraw/zinc/02/54/92/1068025492.db2.gz RBSHLFBSJIWMNV-XMMPIXPASA-N 1 0 457.544 4.832 20 0 JJADRO O=C(OCc1ccccc1)c1ccc(C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)[nH]1 ZINC001462216649 1068030685 /nfs/dbraw/zinc/03/06/85/1068030685.db2.gz HZXOTLMCRZRZND-XMMPIXPASA-N 1 0 458.480 4.882 20 0 JJADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001462220932 1068031530 /nfs/dbraw/zinc/03/15/30/1068031530.db2.gz SEKBTMVBPDQHQV-WZONZLPQSA-N 1 0 453.583 4.536 20 0 JJADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001462232344 1068034322 /nfs/dbraw/zinc/03/43/22/1068034322.db2.gz DJXJZGZRPARTMY-GHTZIAJQSA-N 1 0 450.023 4.630 20 0 JJADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001462233588 1068034783 /nfs/dbraw/zinc/03/47/83/1068034783.db2.gz DJXJZGZRPARTMY-NQIIRXRSSA-N 1 0 450.023 4.630 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001462239039 1068035668 /nfs/dbraw/zinc/03/56/68/1068035668.db2.gz UPVKMIUTNAMRNN-UHFFFAOYSA-N 1 0 450.693 4.769 20 0 JJADRO CCOC(=O)Cn1cc(C[N@H+](CC(C)C)[C@@H](C)c2ccccc2Cl)c(-c2cnn(C)c2)n1 ZINC001462240462 1068035750 /nfs/dbraw/zinc/03/57/50/1068035750.db2.gz VHHYONOCERRUKM-SFHVURJKSA-N 1 0 458.006 4.719 20 0 JJADRO CCOC(=O)Cn1cc(C[N@H+](CC(C)C)[C@H](C)c2ccccc2Cl)c(-c2cnn(C)c2)n1 ZINC001462240458 1068036095 /nfs/dbraw/zinc/03/60/95/1068036095.db2.gz VHHYONOCERRUKM-GOSISDBHSA-N 1 0 458.006 4.719 20 0 JJADRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC001462274438 1068042066 /nfs/dbraw/zinc/04/20/66/1068042066.db2.gz KNMYEPJIGICBNS-HCOGUDFLSA-N 1 0 459.606 4.645 20 0 JJADRO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC001462274452 1068042179 /nfs/dbraw/zinc/04/21/79/1068042179.db2.gz KNMYEPJIGICBNS-XYWDACCRSA-N 1 0 459.606 4.645 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC001462278344 1068042407 /nfs/dbraw/zinc/04/24/07/1068042407.db2.gz LBERRDKLTGOWDN-URXFXBBRSA-N 1 0 456.558 4.566 20 0 JJADRO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280791 1068043118 /nfs/dbraw/zinc/04/31/18/1068043118.db2.gz GULDXVAWNOYZFR-KKSFZXQISA-N 1 0 451.485 4.998 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@@H](C(=O)NC3CCC(C)([NH+](C)C)CC3)[C@@H]2c2cccs2)cc1 ZINC001462281030 1068043206 /nfs/dbraw/zinc/04/32/06/1068043206.db2.gz ZXXDPZBVMVIFFT-SIVCMCMVSA-N 1 0 453.652 4.920 20 0 JJADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC001462294931 1068046148 /nfs/dbraw/zinc/04/61/48/1068046148.db2.gz XLQILOSOWNOGLA-MRXNPFEDSA-N 1 0 458.546 4.847 20 0 JJADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462302187 1068047406 /nfs/dbraw/zinc/04/74/06/1068047406.db2.gz CSCRHVCNNVQHQI-SANMLTNESA-N 1 0 455.599 4.876 20 0 JJADRO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1OCC(F)F ZINC001462333493 1068052955 /nfs/dbraw/zinc/05/29/55/1068052955.db2.gz OJDPSSZRGXMWBL-QGZVFWFLSA-N 1 0 453.448 4.529 20 0 JJADRO CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CC[NH+](CC(C)C)CC2)CCOCC1 ZINC001546130876 1068053049 /nfs/dbraw/zinc/05/30/49/1068053049.db2.gz HHBPTWZHAZMXAU-UHFFFAOYSA-N 1 0 496.519 4.754 20 0 JJADRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001462336843 1068053511 /nfs/dbraw/zinc/05/35/11/1068053511.db2.gz XAQYTHWXFJEYRZ-RMVXJAJNSA-N 1 0 455.565 4.642 20 0 JJADRO C[C@@H]1[C@H]([NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001462354893 1068058000 /nfs/dbraw/zinc/05/80/00/1068058000.db2.gz FDKUGACAHMQLEE-OTNPHJDUSA-N 1 0 466.464 4.962 20 0 JJADRO CCc1c(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cnn1-c1ccc(Cl)cc1 ZINC001462358949 1068058635 /nfs/dbraw/zinc/05/86/35/1068058635.db2.gz DJFBOIRQBPZEBL-UHFFFAOYSA-N 1 0 455.965 4.621 20 0 JJADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)c(Cl)c1 ZINC001462361196 1068059870 /nfs/dbraw/zinc/05/98/70/1068059870.db2.gz MBSMVXGEXRNCRT-PXNSSMCTSA-N 1 0 450.808 4.775 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)cc2F)CC1 ZINC001462363305 1068060180 /nfs/dbraw/zinc/06/01/80/1068060180.db2.gz ZUHQCRYYPAKHBY-RBUKOAKNSA-N 1 0 451.464 4.608 20 0 JJADRO CC(C)(C)OC(=O)CC[N@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1CCOCC1 ZINC001462379964 1068063332 /nfs/dbraw/zinc/06/33/32/1068063332.db2.gz KVTUXLXSFKLHBM-UHFFFAOYSA-N 1 0 455.643 4.942 20 0 JJADRO CC(C)(C)[C@@]1(CNc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001462388939 1068064381 /nfs/dbraw/zinc/06/43/81/1068064381.db2.gz AESKNIIRSCPIDN-RUZDIDTESA-N 1 0 459.631 4.617 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400334 1068066049 /nfs/dbraw/zinc/06/60/49/1068066049.db2.gz XTLPIYRMDYNXDU-AVRDEDQJSA-N 1 0 459.631 4.857 20 0 JJADRO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CCN1C(=O)OC(C)(C)C ZINC001462406312 1068067102 /nfs/dbraw/zinc/06/71/02/1068067102.db2.gz CCLMLADFDXGBAP-HSALFYBXSA-N 1 0 451.652 4.934 20 0 JJADRO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001462409393 1068067698 /nfs/dbraw/zinc/06/76/98/1068067698.db2.gz GNVNJDNQEYOMSU-QYBDOPJKSA-N 1 0 455.599 4.780 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001462409936 1068067959 /nfs/dbraw/zinc/06/79/59/1068067959.db2.gz XQKFIKCTGFJKRS-ZVDOUQERSA-N 1 0 454.558 4.615 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410553 1068068319 /nfs/dbraw/zinc/06/83/19/1068068319.db2.gz ZVTFQUVYSPDMRK-HLIPFELVSA-N 1 0 458.521 4.711 20 0 JJADRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H](C)c2cccc(Br)c2)CC1 ZINC001462413366 1068069488 /nfs/dbraw/zinc/06/94/88/1068069488.db2.gz XTHBCUGHCBWGNF-KRWDZBQOSA-N 1 0 455.437 4.901 20 0 JJADRO Cc1cc(Br)c(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)s1 ZINC001462440465 1068074761 /nfs/dbraw/zinc/07/47/61/1068074761.db2.gz PQEJXKHUIITSLT-CQSZACIVSA-N 1 0 453.368 4.832 20 0 JJADRO COc1cccc([C@@H](O)C2CC[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC2)c1 ZINC001462477822 1068082166 /nfs/dbraw/zinc/08/21/66/1068082166.db2.gz GTMULDQPOLLRKU-DEOSSOPVSA-N 1 0 459.512 4.904 20 0 JJADRO O=C(OCc1ccccc1)N1CCC(C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC001462483959 1068082935 /nfs/dbraw/zinc/08/29/35/1068082935.db2.gz KHQBUNQFRHVUBK-UHFFFAOYSA-N 1 0 453.327 4.866 20 0 JJADRO CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CCC1 ZINC001462493677 1068084730 /nfs/dbraw/zinc/08/47/30/1068084730.db2.gz JLZBUXBRXKGETK-UHFFFAOYSA-N 1 0 459.631 4.764 20 0 JJADRO CCOc1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462515797 1068089366 /nfs/dbraw/zinc/08/93/66/1068089366.db2.gz NSRQQCUXLUKMRC-OAQYLSRUSA-N 1 0 457.567 4.968 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC001462517811 1068089567 /nfs/dbraw/zinc/08/95/67/1068089567.db2.gz SZSNQCIPLSJJMF-YYWHXJBOSA-N 1 0 470.635 4.961 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3conc3Cc3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462521458 1068090454 /nfs/dbraw/zinc/09/04/54/1068090454.db2.gz WXIFOASFNOMKOI-UKILVPOCSA-N 1 0 463.578 4.767 20 0 JJADRO CCOCOc1ccc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001462521731 1068090506 /nfs/dbraw/zinc/09/05/06/1068090506.db2.gz YRMWGDZFGRTMEP-BJKOFHAPSA-N 1 0 456.583 4.561 20 0 JJADRO CCOc1cc(CN2CC[NH+]([C@@H](CC)c3ccc(F)cc3)CC2)cc(Br)c1O ZINC001462555913 1068097515 /nfs/dbraw/zinc/09/75/15/1068097515.db2.gz LPVGZZVNUUZGED-FQEVSTJZSA-N 1 0 451.380 4.961 20 0 JJADRO O=C(NCCn1ccc(C(F)(F)F)n1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462570817 1068100592 /nfs/dbraw/zinc/10/05/92/1068100592.db2.gz XMAHJOWWGQLWFO-LEWJYISDSA-N 1 0 476.930 4.587 20 0 JJADRO CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CCOCC1 ZINC001546132567 1068101764 /nfs/dbraw/zinc/10/17/64/1068101764.db2.gz NHVJSPJCYIGKRR-GOSISDBHSA-N 1 0 496.483 4.616 20 0 JJADRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001462578992 1068103196 /nfs/dbraw/zinc/10/31/96/1068103196.db2.gz UWZNDAFXBRCSJI-GHTZIAJQSA-N 1 0 455.565 4.920 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CCCCCOc2ccccc2)CC1 ZINC001462589202 1068105760 /nfs/dbraw/zinc/10/57/60/1068105760.db2.gz UYGCJNCCOZLAOA-PSWAGMNNSA-N 1 0 457.659 4.784 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC001462590340 1068106703 /nfs/dbraw/zinc/10/67/03/1068106703.db2.gz YXFOSGNNYSHZNH-SANMLTNESA-N 1 0 458.549 4.809 20 0 JJADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C[C@@H](c2ccccc2)C1 ZINC001462597646 1068108320 /nfs/dbraw/zinc/10/83/20/1068108320.db2.gz ZLFVWIIQTZSMFJ-XXTHSBEZSA-N 1 0 456.627 4.881 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH+]3CCC4(CC3)C[C@H](O)CCO4)n2)cc1 ZINC001462607688 1068110812 /nfs/dbraw/zinc/11/08/12/1068110812.db2.gz YGQFUPYNFQBENB-JOCHJYFZSA-N 1 0 453.583 4.602 20 0 JJADRO CC(C)(C)OC(=O)N(CC[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C(C)(C)C ZINC001462620651 1068113659 /nfs/dbraw/zinc/11/36/59/1068113659.db2.gz HXUQJDMTIYQFDC-JOCHJYFZSA-N 1 0 455.437 4.768 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1cccc(Oc3ccccn3)c1)CC2 ZINC001462630549 1068118335 /nfs/dbraw/zinc/11/83/35/1068118335.db2.gz FFMLESPGPDZDMZ-QFIPXVFZSA-N 1 0 453.583 4.770 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC[NH+](C[C@@H]2CCc3ccccc32)CC1 ZINC001462638563 1068120919 /nfs/dbraw/zinc/12/09/19/1068120919.db2.gz WELHDABHETUKRM-NRFANRHFSA-N 1 0 459.631 4.506 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)CCOc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC001462643963 1068122269 /nfs/dbraw/zinc/12/22/69/1068122269.db2.gz JIIOOJVVEFETMM-UHFFFAOYSA-N 1 0 451.394 4.560 20 0 JJADRO CCOc1cc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462647346 1068122842 /nfs/dbraw/zinc/12/28/42/1068122842.db2.gz ZPZAMDQEYIORKX-FQEVSTJZSA-N 1 0 455.938 4.954 20 0 JJADRO COc1cc(CCC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)ccc1OCC(F)(F)F ZINC001462645406 1068122872 /nfs/dbraw/zinc/12/28/72/1068122872.db2.gz UTCCZIPFYIKQBO-BWKNWUBXSA-N 1 0 476.539 4.549 20 0 JJADRO CC(C)[C@@H]1CCC[C@](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001462648381 1068123895 /nfs/dbraw/zinc/12/38/95/1068123895.db2.gz RHZQGMDOPWFWMF-KTDPBYDISA-N 1 0 456.597 4.888 20 0 JJADRO CN(C)[C@H](CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(F)(F)F ZINC001462690590 1068132168 /nfs/dbraw/zinc/13/21/68/1068132168.db2.gz RFGNQHLPBATCEH-BHDDXSALSA-N 1 0 467.963 4.554 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1C(F)(F)F ZINC001462727540 1068145308 /nfs/dbraw/zinc/14/53/08/1068145308.db2.gz FWOYWQXRYJDMJF-ZDUSSCGKSA-N 1 0 457.855 4.551 20 0 JJADRO O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)c1cc(F)ccc1N1CCOCC1 ZINC001462728518 1068145321 /nfs/dbraw/zinc/14/53/21/1068145321.db2.gz JOZUEJXRTNLFLK-UHFFFAOYSA-N 1 0 451.464 4.529 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)C(F)(F)c2ncccc2Br)cc1C(F)(F)F ZINC001462728975 1068145821 /nfs/dbraw/zinc/14/58/21/1068145821.db2.gz LQXUWAOTVBHACD-UHFFFAOYSA-N 1 0 452.221 4.655 20 0 JJADRO O=C(CCCOc1ccc2c(c1)OCO2)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001462730053 1068146512 /nfs/dbraw/zinc/14/65/12/1068146512.db2.gz PJUORSUNJFDLRS-UHFFFAOYSA-N 1 0 450.457 4.828 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)c2cccc(C(C)(C)C)c2)CC1 ZINC001462774901 1068164320 /nfs/dbraw/zinc/16/43/20/1068164320.db2.gz CBTIQVVLPGVUHN-ZRZAMGCNSA-N 1 0 455.643 4.672 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNS(=O)(=O)c3cc(Cl)ccc3OC(F)F)cc2)CC1 ZINC001462801273 1068171242 /nfs/dbraw/zinc/17/12/42/1068171242.db2.gz ITUYHUPFZPTZJN-UHFFFAOYSA-N 1 0 458.958 4.652 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2c3ncsc3ccc2Cl)cc1 ZINC001462828595 1068180910 /nfs/dbraw/zinc/18/09/10/1068180910.db2.gz AYEWPAALXJDAIF-HNNXBMFYSA-N 1 0 450.029 4.803 20 0 JJADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001462837626 1068185087 /nfs/dbraw/zinc/18/50/87/1068185087.db2.gz QSJBBDLXWYFIDK-UHFFFAOYSA-N 1 0 454.061 4.740 20 0 JJADRO CC(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC001462893916 1068205453 /nfs/dbraw/zinc/20/54/53/1068205453.db2.gz XPJXXJFPSYEHCE-UHFFFAOYSA-N 1 0 457.640 4.524 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC001462894456 1068206016 /nfs/dbraw/zinc/20/60/16/1068206016.db2.gz GLXWHKVYTKKDQC-UHFFFAOYSA-N 1 0 452.498 4.737 20 0 JJADRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899347 1068208237 /nfs/dbraw/zinc/20/82/37/1068208237.db2.gz XHQBJWUMXCIDAX-DENIHFKCSA-N 1 0 457.640 4.517 20 0 JJADRO Cc1ccc(Br)cc1S(=O)(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001462954298 1068228275 /nfs/dbraw/zinc/22/82/75/1068228275.db2.gz JUPRUBZTKUWXBB-UHFFFAOYSA-N 1 0 451.430 4.612 20 0 JJADRO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1csnc1-c1ccccc1 ZINC001462981186 1068237600 /nfs/dbraw/zinc/23/76/00/1068237600.db2.gz HFWHGEDPOLTCOL-QFIPXVFZSA-N 1 0 455.649 4.875 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001462989789 1068241710 /nfs/dbraw/zinc/24/17/10/1068241710.db2.gz MUSQJTCPTPIMGK-UHFFFAOYSA-N 1 0 455.329 4.765 20 0 JJADRO Cc1cnc2c(cccc2S(=O)(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC001463034059 1068258271 /nfs/dbraw/zinc/25/82/71/1068258271.db2.gz ZKTYNRLGYHBZRS-UHFFFAOYSA-N 1 0 451.636 4.556 20 0 JJADRO CC(C)(C)OC(=O)NC1(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)CCCCC1 ZINC001463081896 1068281069 /nfs/dbraw/zinc/28/10/69/1068281069.db2.gz SAVKBEKRJMAFIJ-UHFFFAOYSA-N 1 0 455.643 4.828 20 0 JJADRO CC(=O)c1cccc(O[C@H](C)C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001463145511 1068301968 /nfs/dbraw/zinc/30/19/68/1068301968.db2.gz BTLHHQHCWXOCEK-KBKXWFDOSA-N 1 0 456.586 4.831 20 0 JJADRO O=C(COc1cccc(C(F)(F)F)c1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463178054 1068310860 /nfs/dbraw/zinc/31/08/60/1068310860.db2.gz XKZMNARYHGRKJJ-BJKOFHAPSA-N 1 0 454.492 4.869 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1 ZINC001463222206 1068324472 /nfs/dbraw/zinc/32/44/72/1068324472.db2.gz YZACLYNFYQMOOE-UHFFFAOYSA-N 1 0 452.620 4.962 20 0 JJADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CC[N@@H+]1Cc1ccccc1 ZINC001463231559 1068328667 /nfs/dbraw/zinc/32/86/67/1068328667.db2.gz OFNMIXSYIZJZHT-IEBWSBKVSA-N 1 0 457.665 4.925 20 0 JJADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001463258384 1068336941 /nfs/dbraw/zinc/33/69/41/1068336941.db2.gz RDDIXNSBUHVSHI-UHFFFAOYSA-N 1 0 451.013 4.946 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC001463388789 1068381440 /nfs/dbraw/zinc/38/14/40/1068381440.db2.gz BXELDKUIIPXCKA-UHFFFAOYSA-N 1 0 459.631 4.773 20 0 JJADRO CC1(C)C[C@@H](NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C(C)(C)O1 ZINC001463417956 1068391396 /nfs/dbraw/zinc/39/13/96/1068391396.db2.gz INFRIXAANCPBEX-YTFSRNRJSA-N 1 0 477.070 4.574 20 0 JJADRO COc1ccc([C@H](CNC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC001463562927 1068444956 /nfs/dbraw/zinc/44/49/56/1068444956.db2.gz IOFWTHAGJWFCLE-WPFOTENUSA-N 1 0 457.412 4.689 20 0 JJADRO COc1ccc([C@H](CNC(=O)c2cc3c(Br)cccc3cn2)[NH+]2CCCC2)cc1 ZINC001463566023 1068447429 /nfs/dbraw/zinc/44/74/29/1068447429.db2.gz PKRSVWZOBHRFGH-QFIPXVFZSA-N 1 0 454.368 4.573 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1ccccc1CSC1=NCCS1)[NH+]1CCCC1 ZINC001463573771 1068451738 /nfs/dbraw/zinc/45/17/38/1068451738.db2.gz QURUTCMQUPGXDJ-NRFANRHFSA-N 1 0 455.649 4.598 20 0 JJADRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc(C)c1OCc1ccccc1 ZINC001463612539 1068466010 /nfs/dbraw/zinc/46/60/10/1068466010.db2.gz KMNOZRQGOZQDNE-DEOSSOPVSA-N 1 0 456.652 4.958 20 0 JJADRO O=S(=O)(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001463638257 1068477733 /nfs/dbraw/zinc/47/77/33/1068477733.db2.gz IUBSLORKOSKAGN-HXUWFJFHSA-N 1 0 456.995 4.933 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)c1cccs1 ZINC001463645751 1068479504 /nfs/dbraw/zinc/47/95/04/1068479504.db2.gz CQVYVEFBRPNTFU-FQEVSTJZSA-N 1 0 453.633 4.973 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)c2)CC1 ZINC001463706187 1068500757 /nfs/dbraw/zinc/50/07/57/1068500757.db2.gz JDKFTMMSLFMZTE-NRFANRHFSA-N 1 0 458.647 4.503 20 0 JJADRO CC(C)N1C(=O)C[C@H](C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463707862 1068501508 /nfs/dbraw/zinc/50/15/08/1068501508.db2.gz BVNDTMWEWGQXBL-PGRDOPGGSA-N 1 0 452.014 4.548 20 0 JJADRO C=Cc1ccc(CCNS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)cc1 ZINC001463744592 1068510839 /nfs/dbraw/zinc/51/08/39/1068510839.db2.gz DUMGMTDJFPBGQJ-RRPNLBNLSA-N 1 0 464.606 4.599 20 0 JJADRO O=C(N[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1)OCc1ccccc1 ZINC001463759253 1068514680 /nfs/dbraw/zinc/51/46/80/1068514680.db2.gz BZGADPMHSIDWAB-UIOOFZCWSA-N 1 0 457.574 4.607 20 0 JJADRO O=S(=O)(CCC1CCCCC1)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001463758619 1068514916 /nfs/dbraw/zinc/51/49/16/1068514916.db2.gz JASGKJGTYNRSQA-AREMUKBSSA-N 1 0 455.668 4.848 20 0 JJADRO CCc1ccc([C@H](CNC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)[NH+](C)C)cc1 ZINC001463764032 1068516570 /nfs/dbraw/zinc/51/65/70/1068516570.db2.gz PQWRLMULRUXWSO-QFIPXVFZSA-N 1 0 454.977 4.749 20 0 JJADRO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cnn1-c1cccc(Br)c1 ZINC001463767826 1068518123 /nfs/dbraw/zinc/51/81/23/1068518123.db2.gz XWHAGAWZDHEUMN-QFIPXVFZSA-N 1 0 453.384 4.510 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)Cc1ccccc1 ZINC001463771103 1068519249 /nfs/dbraw/zinc/51/92/49/1068519249.db2.gz UOSOITKRXASZQU-VXKWHMMOSA-N 1 0 451.611 4.595 20 0 JJADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001463787930 1068524116 /nfs/dbraw/zinc/52/41/16/1068524116.db2.gz YYIHFLWASGKVGZ-UHFFFAOYSA-N 1 0 453.435 4.811 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001463812772 1068534185 /nfs/dbraw/zinc/53/41/85/1068534185.db2.gz REDIUZSNXWMKBC-NKKJXINNSA-N 1 0 455.643 4.714 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)Cc1ccccc1 ZINC001463837277 1068542287 /nfs/dbraw/zinc/54/22/87/1068542287.db2.gz RGKGSUQXUGWHJW-OAQYLSRUSA-N 1 0 450.529 4.879 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)Cc1ccccc1 ZINC001463837620 1068542413 /nfs/dbraw/zinc/54/24/13/1068542413.db2.gz VHYPQURAVZZHDD-HSZRJFAPSA-N 1 0 451.611 4.667 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)Cc1ccccc1 ZINC001463837627 1068542595 /nfs/dbraw/zinc/54/25/95/1068542595.db2.gz VHYPQURAVZZHDD-QHCPKHFHSA-N 1 0 451.611 4.667 20 0 JJADRO CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463839585 1068543687 /nfs/dbraw/zinc/54/36/87/1068543687.db2.gz XIMIPBIHHMEXRY-LEWJYISDSA-N 1 0 452.039 4.923 20 0 JJADRO CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463839588 1068543861 /nfs/dbraw/zinc/54/38/61/1068543861.db2.gz XIMIPBIHHMEXRY-NHCUHLMSSA-N 1 0 452.039 4.923 20 0 JJADRO O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463840216 1068544052 /nfs/dbraw/zinc/54/40/52/1068544052.db2.gz PQGTUODSXQVAFE-FPOVZHCZSA-N 1 0 459.503 4.549 20 0 JJADRO Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001463848816 1068546995 /nfs/dbraw/zinc/54/69/95/1068546995.db2.gz VHLINAILPBPWDL-XZOQPEGZSA-N 1 0 458.986 4.734 20 0 JJADRO Cc1ccc(CN(C)S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)cc1C ZINC001463878000 1068554115 /nfs/dbraw/zinc/55/41/15/1068554115.db2.gz USZOIOBACUMOBQ-RRPNLBNLSA-N 1 0 466.622 4.872 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001463894886 1068558321 /nfs/dbraw/zinc/55/83/21/1068558321.db2.gz GERKXHTWGBLRCE-FQEVSTJZSA-N 1 0 457.640 4.854 20 0 JJADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC001463897784 1068558710 /nfs/dbraw/zinc/55/87/10/1068558710.db2.gz BUCMGZBOWVHUEK-UHFFFAOYSA-N 1 0 457.574 4.990 20 0 JJADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4ccc(Br)cc4c3)CC2)cc1 ZINC001463898979 1068559260 /nfs/dbraw/zinc/55/92/60/1068559260.db2.gz LIVCCANDGVDZQL-UHFFFAOYSA-N 1 0 453.380 4.959 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(Br)c(C)c1)c1ccccc1Cl ZINC001463914279 1068564090 /nfs/dbraw/zinc/56/40/90/1068564090.db2.gz KPZDORLBILGEQO-FQEVSTJZSA-N 1 0 453.808 4.989 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1Cl ZINC001463917155 1068565545 /nfs/dbraw/zinc/56/55/45/1068565545.db2.gz OSUDMGQOGZFBLE-OAQYLSRUSA-N 1 0 450.023 4.796 20 0 JJADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC001463946427 1068572185 /nfs/dbraw/zinc/57/21/85/1068572185.db2.gz IMYHXYDLDXLZFV-DVECYGJZSA-N 1 0 456.995 4.756 20 0 JJADRO Cc1cccc(Oc2ccc(S(=O)(=O)N3CC[C@@H]([N@H+](C)CCc4ccccc4)C3)cc2)c1 ZINC001464022193 1068591844 /nfs/dbraw/zinc/59/18/44/1068591844.db2.gz IDUFSACLKQYQJF-HSZRJFAPSA-N 1 0 450.604 4.725 20 0 JJADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001464072180 1068605555 /nfs/dbraw/zinc/60/55/55/1068605555.db2.gz HZMYJSCVYZCUDR-AWEZNQCLSA-N 1 0 450.366 4.556 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC001464076973 1068607015 /nfs/dbraw/zinc/60/70/15/1068607015.db2.gz AOPZDYDCTNRHCW-LJQANCHMSA-N 1 0 459.516 4.610 20 0 JJADRO CC[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC001464097198 1068614058 /nfs/dbraw/zinc/61/40/58/1068614058.db2.gz GNZBOLYENGTULG-FQEVSTJZSA-N 1 0 454.368 4.671 20 0 JJADRO CC[C@H](CNC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C)[N@@H+]1CCc2ccccc2C1 ZINC001464097592 1068614168 /nfs/dbraw/zinc/61/41/68/1068614168.db2.gz GPKIFTMNMRUQBZ-OAQYLSRUSA-N 1 0 456.512 4.971 20 0 JJADRO CC[C@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[N@@H+]1CCc2ccccc2C1 ZINC001464099832 1068615524 /nfs/dbraw/zinc/61/55/24/1068615524.db2.gz HSQJOQYYJAWLAM-OAQYLSRUSA-N 1 0 456.512 4.766 20 0 JJADRO Cc1cc(CCC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1Br ZINC001464117896 1068620559 /nfs/dbraw/zinc/62/05/59/1068620559.db2.gz BIASMMACAWIXCJ-KDURUIRLSA-N 1 0 459.428 4.616 20 0 JJADRO COc1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC1CCCC1 ZINC001464120263 1068621884 /nfs/dbraw/zinc/62/18/84/1068621884.db2.gz JVUNKDQJPVVNEM-BGYRXZFFSA-N 1 0 452.595 4.556 20 0 JJADRO Cc1ccc(CCC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(Br)c1 ZINC001464121664 1068622469 /nfs/dbraw/zinc/62/24/69/1068622469.db2.gz MVUSWLOBCBEGQO-OALUTQOASA-N 1 0 459.428 4.616 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cn4)c3)cc2)CC1 ZINC001464124083 1068623097 /nfs/dbraw/zinc/62/30/97/1068623097.db2.gz GDWAVIMZYRMBGV-UHFFFAOYSA-N 1 0 450.970 4.917 20 0 JJADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001464124740 1068624360 /nfs/dbraw/zinc/62/43/60/1068624360.db2.gz VIAZDGJQCACYRU-UHFFFAOYSA-N 1 0 457.290 4.526 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)c1ccsc1 ZINC001464143199 1068633215 /nfs/dbraw/zinc/63/32/15/1068633215.db2.gz VOGZVIKKLWZYID-IBGZPJMESA-N 1 0 450.530 4.825 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc4cncc(Br)c4n3)cc2)C1 ZINC001464154852 1068635854 /nfs/dbraw/zinc/63/58/54/1068635854.db2.gz QWJAGDNTFZZDKW-INIZCTEOSA-N 1 0 453.384 4.554 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)C1 ZINC001464154790 1068635860 /nfs/dbraw/zinc/63/58/60/1068635860.db2.gz QDCGYRRSWOLRJF-NFBKMPQASA-N 1 0 455.643 4.572 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3c4ccccc4nc3SC(F)F)cc2)C1 ZINC001464154812 1068635867 /nfs/dbraw/zinc/63/58/67/1068635867.db2.gz QHZVEBXBHQNZJL-KRWDZBQOSA-N 1 0 458.578 4.899 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(F)(F)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC001464158678 1068637668 /nfs/dbraw/zinc/63/76/68/1068637668.db2.gz JXGWIJJILIJJSC-UHFFFAOYSA-N 1 0 456.364 4.539 20 0 JJADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464162421 1068638915 /nfs/dbraw/zinc/63/89/15/1068638915.db2.gz WTLPJWBRFCHEDO-MBSDFSHPSA-N 1 0 452.624 4.725 20 0 JJADRO COC(=O)c1cc(Br)cc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC001464175396 1068643673 /nfs/dbraw/zinc/64/36/73/1068643673.db2.gz RFLQTTCPWXPJIH-MRXNPFEDSA-N 1 0 459.384 4.540 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)C1 ZINC001464193571 1068651010 /nfs/dbraw/zinc/65/10/10/1068651010.db2.gz LNYYGUZODWZQBU-GLDPYIMESA-N 1 0 452.620 4.502 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1 ZINC001464198490 1068652855 /nfs/dbraw/zinc/65/28/55/1068652855.db2.gz ITXSCUFHSBOBMP-UHFFFAOYSA-N 1 0 453.583 4.957 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C23CCC(CC2)N3C(=O)OC(C)(C)C)C1 ZINC001464199743 1068653454 /nfs/dbraw/zinc/65/34/54/1068653454.db2.gz CTWTUSNNTGYXCY-OESUEDDCSA-N 1 0 455.643 4.713 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1c(O)cnc2c(Br)cccc21 ZINC001464200161 1068654283 /nfs/dbraw/zinc/65/42/83/1068654283.db2.gz PUCCOXMYTGKTMG-UHFFFAOYSA-N 1 0 458.356 4.676 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)cc1 ZINC001464204487 1068655448 /nfs/dbraw/zinc/65/54/48/1068655448.db2.gz JQSGSKGRGSLGFK-UHFFFAOYSA-N 1 0 453.461 4.770 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC001464203395 1068655491 /nfs/dbraw/zinc/65/54/91/1068655491.db2.gz CAKBMVARSVEBEV-UHFFFAOYSA-N 1 0 455.780 4.841 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc1 ZINC001464203426 1068655554 /nfs/dbraw/zinc/65/55/54/1068655554.db2.gz CRFZPGNEFLPAPH-NRFANRHFSA-N 1 0 450.366 4.846 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cnc(Cl)c(Br)c2)C1 ZINC001464206108 1068656852 /nfs/dbraw/zinc/65/68/52/1068656852.db2.gz VGTQDNZFMNBGSF-HUUCEWRRSA-N 1 0 450.808 4.905 20 0 JJADRO CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001464211708 1068659955 /nfs/dbraw/zinc/65/99/55/1068659955.db2.gz ODGXKCCWVGUMLI-SEDAZVQISA-N 1 0 459.675 4.966 20 0 JJADRO COc1cccc(C(=O)CCCC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC001464247872 1068674789 /nfs/dbraw/zinc/67/47/89/1068674789.db2.gz BOJBROUPCIPQFN-UHFFFAOYSA-N 1 0 451.567 4.501 20 0 JJADRO COC[C@]1(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CCCCN1C(=O)OC(C)(C)C ZINC001464250832 1068675907 /nfs/dbraw/zinc/67/59/07/1068675907.db2.gz YWKHCMRZNUFPBU-SANMLTNESA-N 1 0 459.631 4.663 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)C2=C(c3ccccc3)SCCO2)cc1 ZINC001464251967 1068675950 /nfs/dbraw/zinc/67/59/50/1068675950.db2.gz RWBOGSYBZVFBEK-UHFFFAOYSA-N 1 0 451.592 4.572 20 0 JJADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001464278021 1068686896 /nfs/dbraw/zinc/68/68/96/1068686896.db2.gz WVYZQBBKVHPYBH-HFZDXXHNSA-N 1 0 456.652 4.835 20 0 JJADRO Cc1nc(C2CCCCC2)sc1C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001464281068 1068689399 /nfs/dbraw/zinc/68/93/99/1068689399.db2.gz KRJMVEZWOJYIFA-UHFFFAOYSA-N 1 0 454.684 4.827 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C)CC1 ZINC001464317963 1068703128 /nfs/dbraw/zinc/70/31/28/1068703128.db2.gz HFBHFBNOTHQHIR-DEOSSOPVSA-N 1 0 451.611 4.650 20 0 JJADRO CCC(CC)C(=O)N1CCC(NC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)CC1 ZINC001464322882 1068705748 /nfs/dbraw/zinc/70/57/48/1068705748.db2.gz WDNIKZJKCLUCOB-NRFANRHFSA-N 1 0 455.565 4.632 20 0 JJADRO Cc1c(Br)c2ccccc2n1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001464323958 1068706307 /nfs/dbraw/zinc/70/63/07/1068706307.db2.gz NZHWLVRNMAMNFW-UHFFFAOYSA-N 1 0 454.412 4.801 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)C1(c2ccccc2Br)CC1)[NH+]1CCCCC1 ZINC001464333034 1068709624 /nfs/dbraw/zinc/70/96/24/1068709624.db2.gz LRWMMKJAYASFBH-NRFANRHFSA-N 1 0 457.412 4.833 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)[C@@H](OC)c1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC001464334862 1068710016 /nfs/dbraw/zinc/71/00/16/1068710016.db2.gz OSIQMCCDVPKTPH-IRLDBZIGSA-N 1 0 450.501 4.745 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)[C@H](OC)c1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC001464334874 1068710806 /nfs/dbraw/zinc/71/08/06/1068710806.db2.gz OSIQMCCDVPKTPH-RBBKRZOGSA-N 1 0 450.501 4.745 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)c1ccc(F)cc1 ZINC001464344541 1068714124 /nfs/dbraw/zinc/71/41/24/1068714124.db2.gz YCWHPPQTZGXNDA-HXUWFJFHSA-N 1 0 458.331 4.808 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)c1cc(N2CCNC2=O)ccc1Cl)C1CCCCC1 ZINC001464402749 1068733608 /nfs/dbraw/zinc/73/36/08/1068733608.db2.gz OQDNSJWSHDNCHY-UHFFFAOYSA-N 1 0 455.002 4.564 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001464410865 1068736831 /nfs/dbraw/zinc/73/68/31/1068736831.db2.gz CFBQUMLNZKETTB-ISJGIBHGSA-N 1 0 471.686 4.886 20 0 JJADRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC001464446242 1068748771 /nfs/dbraw/zinc/74/87/71/1068748771.db2.gz AZCJSGCSIKDEJW-UHFFFAOYSA-N 1 0 458.468 4.753 20 0 JJADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001464452631 1068751368 /nfs/dbraw/zinc/75/13/68/1068751368.db2.gz XTIDKYOVMPXORJ-MSOLQXFVSA-N 1 0 459.516 4.532 20 0 JJADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001464472767 1068759427 /nfs/dbraw/zinc/75/94/27/1068759427.db2.gz OLUJNFLBVKUYSP-AZUAARDMSA-N 1 0 455.027 4.878 20 0 JJADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O2 ZINC001464488377 1068764154 /nfs/dbraw/zinc/76/41/54/1068764154.db2.gz QAWJVMXVYMEHAY-BDTNDASRSA-N 1 0 471.642 4.564 20 0 JJADRO COc1ccc(C(=O)CCCCC(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC001464490245 1068764595 /nfs/dbraw/zinc/76/45/95/1068764595.db2.gz WSQFOUCWQQKKCA-QHCPKHFHSA-N 1 0 450.579 4.543 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC001464501500 1068767668 /nfs/dbraw/zinc/76/76/68/1068767668.db2.gz XILWZBMYCDQZEL-VQIMIIECSA-N 1 0 459.553 4.850 20 0 JJADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001464511661 1068769335 /nfs/dbraw/zinc/76/93/35/1068769335.db2.gz FNDNVKOQFHESMX-UHFFFAOYSA-N 1 0 454.958 4.528 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C/COC1CCOCC1)[NH+](C)C ZINC001464544618 1068777830 /nfs/dbraw/zinc/77/78/30/1068777830.db2.gz OCSWRLBKUOKDLZ-IOUFHMPJSA-N 1 0 457.442 4.660 20 0 JJADRO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC001464544356 1068777842 /nfs/dbraw/zinc/77/78/42/1068777842.db2.gz YGCFGVXXHKHRNS-YKSBVNFPSA-N 1 0 451.014 4.972 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccco1 ZINC001464549373 1068778909 /nfs/dbraw/zinc/77/89/09/1068778909.db2.gz HDILGQBKFJVSKO-XMMPIXPASA-N 1 0 458.562 4.954 20 0 JJADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001464587293 1068791981 /nfs/dbraw/zinc/79/19/81/1068791981.db2.gz PWNYMQAPOOXPTL-HXUWFJFHSA-N 1 0 451.677 4.652 20 0 JJADRO C[C@H](CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1)NC(=O)C1CCCC1 ZINC001464639049 1068807419 /nfs/dbraw/zinc/80/74/19/1068807419.db2.gz USWOONMFPCKFKS-QGZVFWFLSA-N 1 0 454.442 4.503 20 0 JJADRO C[C@@H](CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1)NC(=O)C1CCCC1 ZINC001464639045 1068807449 /nfs/dbraw/zinc/80/74/49/1068807449.db2.gz USWOONMFPCKFKS-KRWDZBQOSA-N 1 0 454.442 4.503 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cn2cc(C)sc2n1 ZINC001464638863 1068807488 /nfs/dbraw/zinc/80/74/88/1068807488.db2.gz SUJLKWZYBAYACH-UHFFFAOYSA-N 1 0 453.439 4.924 20 0 JJADRO O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001464648722 1068810433 /nfs/dbraw/zinc/81/04/33/1068810433.db2.gz JZPGQOHHXGOQSX-MHZLTWQESA-N 1 0 450.623 4.850 20 0 JJADRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001464652319 1068812035 /nfs/dbraw/zinc/81/20/35/1068812035.db2.gz TWLLHVCTKOBIEJ-DEOSSOPVSA-N 1 0 452.561 4.816 20 0 JJADRO C[C@@H](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464659777 1068815026 /nfs/dbraw/zinc/81/50/26/1068815026.db2.gz SRDWGQTZQGQAIY-IBGZPJMESA-N 1 0 458.647 4.805 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[NH+]2CCCC2)o1 ZINC001464681593 1068823116 /nfs/dbraw/zinc/82/31/16/1068823116.db2.gz HTGCHPZQSKBFIR-FGZHOGPDSA-N 1 0 453.583 4.723 20 0 JJADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2cccc(NCc3ccccn3)c2)cc1 ZINC001464688515 1068825572 /nfs/dbraw/zinc/82/55/72/1068825572.db2.gz MAGXNUXUXNUVEK-UHFFFAOYSA-N 1 0 457.578 4.761 20 0 JJADRO CC(C)(C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001464691899 1068827048 /nfs/dbraw/zinc/82/70/48/1068827048.db2.gz WFUMDCZXIWUUTQ-VQTJNVASSA-N 1 0 468.564 4.539 20 0 JJADRO CCCCc1ccc(C(=O)CCC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001464723745 1068839347 /nfs/dbraw/zinc/83/93/47/1068839347.db2.gz HGXGACZRSURJCJ-HXUWFJFHSA-N 1 0 453.602 4.760 20 0 JJADRO COc1ccc(CC[NH2+]Cc2cc(Br)c(OC)c(Br)c2)cc1OC ZINC000020927202 195249240 /nfs/dbraw/zinc/24/92/40/195249240.db2.gz REKVARPTICQNQX-UHFFFAOYSA-N 1 0 459.178 4.570 20 0 JJADRO C[NH+](C)CCCNCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010435614 555710027 /nfs/dbraw/zinc/71/00/27/555710027.db2.gz HWZRYYUWBPCDHT-UHFFFAOYSA-N 1 0 456.222 4.832 20 0 JJADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCC5(CC[NH2+]CC5)[C@@H]4C(F)(F)F)c32)C1 ZINC001164389355 718815388 /nfs/dbraw/zinc/81/53/88/718815388.db2.gz VJZKCAVCXCRVKI-WAIKUNEKSA-N 1 0 493.643 4.923 20 0 JJADRO FC(F)(F)[C@@H]1N(c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)CCC12CC[NH2+]CC2 ZINC001164388008 718815548 /nfs/dbraw/zinc/81/55/48/718815548.db2.gz LWXMRJNHCYGVOJ-JOCHJYFZSA-N 1 0 479.616 4.677 20 0 JJADRO Fc1ccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c(Cl)nn2)cc1 ZINC001164389055 718816227 /nfs/dbraw/zinc/81/62/27/718816227.db2.gz SVFFEENJWZSYLZ-KRWDZBQOSA-N 1 0 464.841 4.992 20 0 JJADRO F[C@@]1(N2CCCC[C@@H]2C2CC[NH2+]CC2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164418559 718892356 /nfs/dbraw/zinc/89/23/56/718892356.db2.gz PADZTHPLRFEGSQ-HYBUGGRVSA-N 1 0 478.443 4.776 20 0 JJADRO c1sc2nc(CN3CCOCC3)nc(N3CCCC[C@H]3C3CC[NH2+]CC3)c2c1-c1ccccc1 ZINC001164419777 718892629 /nfs/dbraw/zinc/89/26/29/718892629.db2.gz RARRVZLGIDYFRQ-QHCPKHFHSA-N 1 0 477.678 4.549 20 0 JJADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCCC[C@H]3C3CC[NH2+]CC3)c2c1C ZINC001164416223 718892952 /nfs/dbraw/zinc/89/29/52/718892952.db2.gz CDWAQKUKCXAWKZ-FQEVSTJZSA-N 1 0 485.698 4.521 20 0 JJADRO Clc1ncc2c(c1N1CC[C@H]3CCCO[C@@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164419852 718901203 /nfs/dbraw/zinc/90/12/03/718901203.db2.gz CYUOCKHMRHXGBC-NFBKMPQASA-N 1 0 454.014 4.762 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164615166 719009433 /nfs/dbraw/zinc/00/94/33/719009433.db2.gz HGHFBRMETVOWBO-HTAPYJJXSA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4cccc(OC)c4)nc4ccccc43)CC2)CC1 ZINC001164617927 719033117 /nfs/dbraw/zinc/03/31/17/719033117.db2.gz PEJQCXISFPAKDW-UHFFFAOYSA-N 1 0 474.605 4.549 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3ccc(CC)cc3)CC2)CC1 ZINC001164616441 719035178 /nfs/dbraw/zinc/03/51/78/719035178.db2.gz CDZDTTPKUVDFLX-UHFFFAOYSA-N 1 0 473.017 4.729 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2c1C ZINC001164621960 719047575 /nfs/dbraw/zinc/04/75/75/719047575.db2.gz KJLJXEGSQWBQNR-WXVAWEFUSA-N 1 0 461.679 4.878 20 0 JJADRO c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2nc(CN4CCCC4)nc4sc5c(c42)CCCC5)C3)cc1 ZINC001164619273 719047616 /nfs/dbraw/zinc/04/76/16/719047616.db2.gz CHGQXMALNYSWSD-DWACAAAGSA-N 1 0 473.690 4.749 20 0 JJADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164618491 719067936 /nfs/dbraw/zinc/06/79/36/719067936.db2.gz AXKZUKFFYKBCPN-FCHUYYIVSA-N 1 0 458.997 4.629 20 0 JJADRO C[NH+]1CCN(c2cccc(N3CCC(O[C@@H](c4ccc(Cl)cc4)c4ccccn4)CC3)n2)CC1 ZINC001164622435 719130197 /nfs/dbraw/zinc/13/01/97/719130197.db2.gz OTUFMFUCKICERT-MHZLTWQESA-N 1 0 478.040 4.657 20 0 JJADRO CN(C)C(=O)CO[C@H]1CCC2(CC[NH+](C(C)(C)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164634217 719140771 /nfs/dbraw/zinc/14/07/71/719140771.db2.gz UBKUBXYODCVNTJ-QFIPXVFZSA-N 1 0 456.030 4.944 20 0 JJADRO CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@@H]3O2)n1 ZINC001164634987 719263720 /nfs/dbraw/zinc/26/37/20/719263720.db2.gz HGPPRMKWWQYYMI-WTNAPCKOSA-N 1 0 489.998 4.927 20 0 JJADRO Fc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164656412 719296690 /nfs/dbraw/zinc/29/66/90/719296690.db2.gz XCJWPEBSPSEABD-WXVAWEFUSA-N 1 0 494.014 4.834 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)nc1 ZINC001164683529 719594840 /nfs/dbraw/zinc/59/48/40/719594840.db2.gz GIVVUUFFECZESB-HSZRJFAPSA-N 1 0 467.683 4.945 20 0 JJADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccc(F)cc3)nc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164686122 719612747 /nfs/dbraw/zinc/61/27/47/719612747.db2.gz YHNQXRIAPMUFBL-UHFFFAOYSA-N 1 0 464.976 4.761 20 0 JJADRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)c2c1CC[NH2+]C2 ZINC001164683344 719617868 /nfs/dbraw/zinc/61/78/68/719617868.db2.gz SDQIHEVGTKBIEI-UHFFFAOYSA-N 1 0 454.352 4.822 20 0 JJADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164681246 719625637 /nfs/dbraw/zinc/62/56/37/719625637.db2.gz FBJKHCFZBQGAFX-UHFFFAOYSA-N 1 0 489.785 4.870 20 0 JJADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)c2c1CC[NH2+]C2 ZINC001164684563 719629425 /nfs/dbraw/zinc/62/94/25/719629425.db2.gz VBNAWVYMWTYHJG-UHFFFAOYSA-N 1 0 499.997 4.569 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3ccc(F)c(Cl)n3)CC2)c2ccccc21 ZINC001164681422 719659281 /nfs/dbraw/zinc/65/92/81/719659281.db2.gz OIKSXXKKAGPKBZ-KRWDZBQOSA-N 1 0 494.989 4.512 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4ccc(F)cc43)CC2)c2ccccc21 ZINC001164681737 719659697 /nfs/dbraw/zinc/65/96/97/719659697.db2.gz QNMODJADGMWSTO-SFHVURJKSA-N 1 0 496.030 4.516 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4cc(Cl)ccc4n3)CC2)c2ccccc21 ZINC001164684210 719659702 /nfs/dbraw/zinc/65/97/02/719659702.db2.gz WLQHIBSNRNXUHE-OAQYLSRUSA-N 1 0 477.052 4.982 20 0 JJADRO Cc1ccc2c(c1)nc(Cl)nc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683535 719669156 /nfs/dbraw/zinc/66/91/56/719669156.db2.gz RZUVHOOXAIGCRP-FQEVSTJZSA-N 1 0 492.067 4.685 20 0 JJADRO Cc1ccc(C(F)(F)N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1Cl ZINC001164686160 719670068 /nfs/dbraw/zinc/67/00/68/719670068.db2.gz WRURYWDVUJDFMU-LJQANCHMSA-N 1 0 491.026 4.682 20 0 JJADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)CC2 ZINC001164691365 719755646 /nfs/dbraw/zinc/75/56/46/719755646.db2.gz NUPMECINDWDPIV-UHFFFAOYSA-N 1 0 499.993 4.676 20 0 JJADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693919 719807377 /nfs/dbraw/zinc/80/73/77/719807377.db2.gz SFMUPSVBOXJDEO-UHFFFAOYSA-N 1 0 483.663 4.782 20 0 JJADRO Clc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(Cc2ccccc2)n1 ZINC001164694991 719890879 /nfs/dbraw/zinc/89/08/79/719890879.db2.gz IWNCLQLJINYJAU-UHFFFAOYSA-N 1 0 455.027 4.654 20 0 JJADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nc(-c5ccccn5)nc5ccccc54)CC3)C2)c1 ZINC001164696182 719897607 /nfs/dbraw/zinc/89/76/07/719897607.db2.gz ASPXVFPGADEMQK-UHFFFAOYSA-N 1 0 457.603 4.625 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164809307 720088260 /nfs/dbraw/zinc/08/82/60/720088260.db2.gz JHRVBOTZZHOIIN-YCRPNKLZSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164806389 720093699 /nfs/dbraw/zinc/09/36/99/720093699.db2.gz BXGRBSNUPCQDRA-LHSJRXKWSA-N 1 0 455.817 4.775 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c(OC)cccc13)CC2 ZINC001164709749 720094249 /nfs/dbraw/zinc/09/42/49/720094249.db2.gz CSSWHSKISBKPJB-HXUWFJFHSA-N 1 0 467.013 4.799 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164710232 720097747 /nfs/dbraw/zinc/09/77/47/720097747.db2.gz HNNFSKSXBJPSML-LJQANCHMSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164712070 720104377 /nfs/dbraw/zinc/10/43/77/720104377.db2.gz UZGQSSUWEXPWCA-KRWDZBQOSA-N 1 0 494.011 4.792 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)C2 ZINC001164811147 720110481 /nfs/dbraw/zinc/11/04/81/720110481.db2.gz LTRAUUMGGJNBHA-SVEHJYQDSA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164719092 720117305 /nfs/dbraw/zinc/11/73/05/720117305.db2.gz VWIOKJRYPNXMPH-KRWDZBQOSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164718989 720118773 /nfs/dbraw/zinc/11/87/73/720118773.db2.gz UOURPRCWGXWTCB-GOSISDBHSA-N 1 0 475.971 4.664 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(C)c(C)cc3nc1Cl)CC2 ZINC001164719074 720126299 /nfs/dbraw/zinc/12/62/99/720126299.db2.gz VJAHQNFHEAPWMD-NRFANRHFSA-N 1 0 466.029 4.803 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)C2 ZINC001164810491 720131266 /nfs/dbraw/zinc/13/12/66/720131266.db2.gz JXOMPBQKIMIDSJ-IRPSRAIASA-N 1 0 457.618 4.999 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)C2 ZINC001164810489 720132545 /nfs/dbraw/zinc/13/25/45/720132545.db2.gz JXOMPBQKIMIDSJ-ABYGYWHVSA-N 1 0 457.618 4.999 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(Sc3cccc(C)c3)n1)CC2 ZINC001164713976 720135306 /nfs/dbraw/zinc/13/53/06/720135306.db2.gz UPRSKXMYNRNMRR-QHCPKHFHSA-N 1 0 475.662 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ccn3C(C)C)CC2 ZINC001164710375 720136940 /nfs/dbraw/zinc/13/69/40/720136940.db2.gz ABQYMYRMLHIJBK-HXUWFJFHSA-N 1 0 469.033 4.568 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164808226 720138328 /nfs/dbraw/zinc/13/83/28/720138328.db2.gz FAMNTRXKZNJBGR-CVDCTZTESA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CC2 ZINC001164711761 720139295 /nfs/dbraw/zinc/13/92/95/720139295.db2.gz JUYQEQLRPFSJEL-QFIPXVFZSA-N 1 0 465.686 4.974 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(OC)ccc3c(Cl)cc(Cl)nc31)C2 ZINC001164810434 720139469 /nfs/dbraw/zinc/13/94/69/720139469.db2.gz JRPNRIXAIREPKM-MWTRTKDXSA-N 1 0 450.410 4.735 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(C)(C)C)nc(Cl)c1C)CC2 ZINC001164713544 720141234 /nfs/dbraw/zinc/14/12/34/720141234.db2.gz RUDZPTLPYCBTPX-HXUWFJFHSA-N 1 0 458.050 4.638 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(C)(C)C)nc(Cl)c1C)CC2 ZINC001164713543 720141408 /nfs/dbraw/zinc/14/14/08/720141408.db2.gz RUDZPTLPYCBTPX-FQEVSTJZSA-N 1 0 458.050 4.638 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164710405 720144806 /nfs/dbraw/zinc/14/48/06/720144806.db2.gz AXKGGTDXZHOPHX-QHCPKHFHSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164711103 720146703 /nfs/dbraw/zinc/14/67/03/720146703.db2.gz FJSKZHKATHMJPH-JOCHJYFZSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164710386 720151996 /nfs/dbraw/zinc/15/19/96/720151996.db2.gz ANMZOEDAWLHVQL-NRFANRHFSA-N 1 0 486.645 4.656 20 0 JJADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713089 720152733 /nfs/dbraw/zinc/15/27/33/720152733.db2.gz QOFZNHVUEHLIAW-RXVVDRJESA-N 1 0 458.050 4.854 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(CC(C)C)nc(Cl)c1C)CC2 ZINC001164710794 720153703 /nfs/dbraw/zinc/15/37/03/720153703.db2.gz CSPRODRJPZKWHB-NRFANRHFSA-N 1 0 458.050 4.539 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164711262 720156615 /nfs/dbraw/zinc/15/66/15/720156615.db2.gz ALRKRQUVUYHIPT-GOSISDBHSA-N 1 0 462.425 4.563 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccc(OC)cc4)c31)C2 ZINC001164812990 720164343 /nfs/dbraw/zinc/16/43/43/720164343.db2.gz BHMLOHPFCXRDAA-FQRUVTKNSA-N 1 0 464.635 4.552 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccc(OC)cc4)c31)C2 ZINC001164812992 720165036 /nfs/dbraw/zinc/16/50/36/720165036.db2.gz BHMLOHPFCXRDAA-RXFWQSSRSA-N 1 0 464.635 4.552 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164817748 720172405 /nfs/dbraw/zinc/17/24/05/720172405.db2.gz QEAIQFYCTADJFH-IERDGZPVSA-N 1 0 469.001 4.588 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)C2 ZINC001164810308 720198297 /nfs/dbraw/zinc/19/82/97/720198297.db2.gz BVSHKPYSXOQUCR-HXOBKFHXSA-N 1 0 463.409 4.760 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164815180 720203159 /nfs/dbraw/zinc/20/31/59/720203159.db2.gz WUWBSXSAJIBRHQ-FDDCHVKYSA-N 1 0 480.962 4.666 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3OC)nnc1Cl)C2 ZINC001164814621 720203674 /nfs/dbraw/zinc/20/36/74/720203674.db2.gz VLJSKRQWZNGKHM-MHECFPHRSA-N 1 0 492.998 4.535 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)C2 ZINC001164815438 720204118 /nfs/dbraw/zinc/20/41/18/720204118.db2.gz ZGBUOYOLLFAZMG-NTKDMRAZSA-N 1 0 492.998 4.535 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164811715 720205355 /nfs/dbraw/zinc/20/53/55/720205355.db2.gz JVQLBBOWCGMFLR-MBSDFSHPSA-N 1 0 480.962 4.666 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)CCC2 ZINC001164817056 720248649 /nfs/dbraw/zinc/24/86/49/720248649.db2.gz OPTZOHLQPWFNJO-UHFFFAOYSA-N 1 0 494.011 4.816 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CCC(=O)N5CC4CC[NH+](C)CC4)c23)cc1 ZINC001164823091 720312935 /nfs/dbraw/zinc/31/29/35/720312935.db2.gz OFTSTQUYFBXPDH-DHIUTWEWSA-N 1 0 475.662 4.578 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164825388 720327475 /nfs/dbraw/zinc/32/74/75/720327475.db2.gz DLAUQSSKWCKIAP-UIOOFZCWSA-N 1 0 469.633 4.517 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001164834353 720330150 /nfs/dbraw/zinc/33/01/50/720330150.db2.gz ZMYRGJYSCLEQAA-RTWAWAEBSA-N 1 0 496.080 4.923 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c3ccccc32)cc1C ZINC001164828392 720337599 /nfs/dbraw/zinc/33/75/99/720337599.db2.gz OPGLPNVOPNZGEB-SVBPBHIXSA-N 1 0 483.660 4.825 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c3ccccc32)cc1C ZINC001164828393 720338094 /nfs/dbraw/zinc/33/80/94/720338094.db2.gz OPGLPNVOPNZGEB-SXOMAYOGSA-N 1 0 483.660 4.825 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c3ccccc32)cc1C ZINC001164828390 720338189 /nfs/dbraw/zinc/33/81/89/720338189.db2.gz OPGLPNVOPNZGEB-KAYWLYCHSA-N 1 0 483.660 4.825 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824351 720339026 /nfs/dbraw/zinc/33/90/26/720339026.db2.gz HXXLMQQHIJFIMJ-WOJBJXKFSA-N 1 0 481.691 4.640 20 0 JJADRO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CC[N@@H+]4Cc2cccnc2)n1)CCCC3 ZINC001164734816 720440826 /nfs/dbraw/zinc/44/08/26/720440826.db2.gz UWDROGNGWYYASM-RTBURBONSA-N 1 0 451.665 4.681 20 0 JJADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735950 720459267 /nfs/dbraw/zinc/45/92/67/720459267.db2.gz ZTZXVCDRDUOJOL-YADHBBJMSA-N 1 0 457.603 4.753 20 0 JJADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735948 720460566 /nfs/dbraw/zinc/46/05/66/720460566.db2.gz ZTZXVCDRDUOJOL-FGZHOGPDSA-N 1 0 457.603 4.753 20 0 JJADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735093 720464436 /nfs/dbraw/zinc/46/44/36/720464436.db2.gz VYEUMVXRBBRGKS-DHIUTWEWSA-N 1 0 470.646 4.668 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833273 720520683 /nfs/dbraw/zinc/52/06/83/720520683.db2.gz CPBYNKUZGCEFKV-JTDSTZFVSA-N 1 0 478.950 4.542 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164735276 720547559 /nfs/dbraw/zinc/54/75/59/720547559.db2.gz NSUHLBLNJGXERS-SFHVURJKSA-N 1 0 450.961 4.858 20 0 JJADRO COc1ccc(-c2cc(C(F)(F)N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c(Cl)nn2)cc1 ZINC001164733695 720548302 /nfs/dbraw/zinc/54/83/02/720548302.db2.gz PLWMZEPXAAWMAC-KRWDZBQOSA-N 1 0 480.987 4.867 20 0 JJADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164729573 720561278 /nfs/dbraw/zinc/56/12/78/720561278.db2.gz QZAYUINPMYCABJ-UHFFFAOYSA-N 1 0 466.363 4.942 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736795 720580510 /nfs/dbraw/zinc/58/05/10/720580510.db2.gz UOTZKKBFQWKXEQ-UHFFFAOYSA-N 1 0 450.637 4.583 20 0 JJADRO Clc1ccc(-c2cc3ncnc(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)c3s2)cc1 ZINC001164736109 720580994 /nfs/dbraw/zinc/58/09/94/720580994.db2.gz CLLHKTKEACRFNC-UHFFFAOYSA-N 1 0 465.026 4.867 20 0 JJADRO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736081 720591288 /nfs/dbraw/zinc/59/12/88/720591288.db2.gz ATSXIJUOPFBKQF-UHFFFAOYSA-N 1 0 473.955 4.682 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc(Cc4ccccc4)c4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844113 720597303 /nfs/dbraw/zinc/59/73/03/720597303.db2.gz YSMOSXOULCVUTR-IBGGVINMSA-N 1 0 466.633 4.795 20 0 JJADRO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cccn6)[N@@H+]5C(C)C)C4)c23)cc1 ZINC001164843512 720600601 /nfs/dbraw/zinc/60/06/01/720600601.db2.gz XOKKSTZAZCMTQT-AWRGLXIESA-N 1 0 488.661 4.941 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839211 720604071 /nfs/dbraw/zinc/60/40/71/720604071.db2.gz MFIBBNQCZLSFJU-FUPPJEDESA-N 1 0 499.688 4.816 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)CC[C@@H]21 ZINC001164839261 720604158 /nfs/dbraw/zinc/60/41/58/720604158.db2.gz MYRAXUQKLLAXNR-QDSKXPNFSA-N 1 0 479.028 4.562 20 0 JJADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164840257 720605172 /nfs/dbraw/zinc/60/51/72/720605172.db2.gz POQBGAIMDIIBHP-KKUQBAQOSA-N 1 0 483.664 4.671 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(F)cc3)CC[C@@H]21 ZINC001164835977 720609128 /nfs/dbraw/zinc/60/91/28/720609128.db2.gz DGVPEXIMAQAJBD-LMNJBCLMSA-N 1 0 470.980 4.636 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835976 720609848 /nfs/dbraw/zinc/60/98/48/720609848.db2.gz DGVPEXIMAQAJBD-HFSMHLIXSA-N 1 0 470.980 4.636 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836166 720611273 /nfs/dbraw/zinc/61/12/73/720611273.db2.gz DYXOIFQPAYWQHJ-UNWVZKJWSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835166 720623096 /nfs/dbraw/zinc/62/30/96/720623096.db2.gz AFIDTIZHCIXJQH-UNWVZKJWSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC[C@@H]21 ZINC001164836796 720629970 /nfs/dbraw/zinc/62/99/70/720629970.db2.gz GXKVXQZOTXZAPM-XDIPAPSNSA-N 1 0 485.680 4.708 20 0 JJADRO COc1cc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(Cl)n1 ZINC001164844227 720666340 /nfs/dbraw/zinc/66/63/40/720666340.db2.gz YUFOFFMHQCTWCZ-LJQANCHMSA-N 1 0 451.945 4.548 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1Cl ZINC001164838320 720675220 /nfs/dbraw/zinc/67/52/20/720675220.db2.gz HDTLIZKJZFBZIW-GOSISDBHSA-N 1 0 478.420 4.825 20 0 JJADRO COc1cc2nc(Cl)nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164845355 720680908 /nfs/dbraw/zinc/68/09/08/720680908.db2.gz YQCSTSMSBLKRKS-LJQANCHMSA-N 1 0 483.012 4.560 20 0 JJADRO Clc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1-c1ccccc1 ZINC001164742583 720692610 /nfs/dbraw/zinc/69/26/10/720692610.db2.gz VUJGFMLUNJLSOZ-FGZHOGPDSA-N 1 0 484.991 4.596 20 0 JJADRO Clc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1-c1ccccc1 ZINC001164742585 720693400 /nfs/dbraw/zinc/69/34/00/720693400.db2.gz VUJGFMLUNJLSOZ-YADHBBJMSA-N 1 0 484.991 4.596 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164841920 720693653 /nfs/dbraw/zinc/69/36/53/720693653.db2.gz KEOJKPCFEADPMP-HSZRJFAPSA-N 1 0 479.024 4.969 20 0 JJADRO CCOC(=O)c1ccc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164840919 720708926 /nfs/dbraw/zinc/70/89/26/720708926.db2.gz SOMVYQIIQQTIKU-LJQANCHMSA-N 1 0 493.982 4.717 20 0 JJADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164836853 720736848 /nfs/dbraw/zinc/73/68/48/720736848.db2.gz GIVYBUNOVODVGA-UHFFFAOYSA-N 1 0 467.351 4.730 20 0 JJADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164844416 720740974 /nfs/dbraw/zinc/74/09/74/720740974.db2.gz SBAKWWDQQYSBCZ-UHFFFAOYSA-N 1 0 458.944 4.591 20 0 JJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164841923 720742477 /nfs/dbraw/zinc/74/24/77/720742477.db2.gz AWSUZPNGFSRBBJ-UHFFFAOYSA-N 1 0 480.950 4.791 20 0 JJADRO COC[C@]12CCC[C@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)C2 ZINC001164849629 720790925 /nfs/dbraw/zinc/79/09/25/720790925.db2.gz SEHRAJBHVSGWHJ-RXFWQSSRSA-N 1 0 482.024 4.650 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c23)cc1 ZINC001164742878 720824107 /nfs/dbraw/zinc/82/41/07/720824107.db2.gz RBZJTFCWGZCXQZ-WPFOTENUSA-N 1 0 485.661 4.638 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c23)cc1 ZINC001164742876 720824117 /nfs/dbraw/zinc/82/41/17/720824117.db2.gz RBZJTFCWGZCXQZ-WMTXJRDZSA-N 1 0 485.661 4.638 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744600 720847914 /nfs/dbraw/zinc/84/79/14/720847914.db2.gz KVBNGQOKNQTWGT-IRFCIJBXSA-N 1 0 491.690 4.699 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)s1 ZINC001164740566 720850917 /nfs/dbraw/zinc/85/09/17/720850917.db2.gz CTOJXHHKDSTBHH-YZUZCNPQSA-N 1 0 485.661 4.638 20 0 JJADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164752612 720852298 /nfs/dbraw/zinc/85/22/98/720852298.db2.gz SZEDINHPHQHKGD-HPUNYJORSA-N 1 0 491.643 4.782 20 0 JJADRO CC(C)c1cc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164754367 720868845 /nfs/dbraw/zinc/86/88/45/720868845.db2.gz RMKLMEOOXBIARB-AMGIVPHBSA-N 1 0 477.678 4.965 20 0 JJADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(C)cc2c1 ZINC001164754904 720869628 /nfs/dbraw/zinc/86/96/28/720869628.db2.gz UMUYZZUZKYUCQF-ABYGYWHVSA-N 1 0 472.633 4.702 20 0 JJADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(C)cc2c1 ZINC001164754916 720869932 /nfs/dbraw/zinc/86/99/32/720869932.db2.gz UMUYZZUZKYUCQF-VAVYLYDRSA-N 1 0 472.633 4.702 20 0 JJADRO Clc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164749004 720875457 /nfs/dbraw/zinc/87/54/57/720875457.db2.gz GCICKAOIXVYLNW-RBJSKKJNSA-N 1 0 490.051 4.947 20 0 JJADRO Fc1cc2nc(Cl)c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2cc1F ZINC001164757822 720884965 /nfs/dbraw/zinc/88/49/65/720884965.db2.gz VTSRABNHPMKMGM-BCHFMIIMSA-N 1 0 499.993 4.712 20 0 JJADRO Cc1sc2nc(C)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164750601 720888284 /nfs/dbraw/zinc/88/82/84/720888284.db2.gz BKIDDVRHBKPYBB-KCWPFWIISA-N 1 0 477.678 4.767 20 0 JJADRO COc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757178 720890504 /nfs/dbraw/zinc/89/05/04/720890504.db2.gz UCLRIZVQUXRIMI-PWUYWRBVSA-N 1 0 472.633 4.702 20 0 JJADRO Clc1cccc(-c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)n1 ZINC001164749856 720890552 /nfs/dbraw/zinc/89/05/52/720890552.db2.gz ASXZXZNKQRHKQZ-NEKDWFFYSA-N 1 0 490.051 4.947 20 0 JJADRO Cc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164755024 720892283 /nfs/dbraw/zinc/89/22/83/720892283.db2.gz KJOGDUGLVIAXCI-QPPBQGQZSA-N 1 0 476.999 4.738 20 0 JJADRO c1cn(C2CCCC2)c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164757444 720893274 /nfs/dbraw/zinc/89/32/74/720893274.db2.gz USUYSICRRVVRTL-GIGWZHCTSA-N 1 0 486.664 4.697 20 0 JJADRO CSc1nc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755422 720893965 /nfs/dbraw/zinc/89/39/65/720893965.db2.gz MADBKXIFEYAJRS-WXVAWEFUSA-N 1 0 475.662 4.502 20 0 JJADRO CSc1ccnc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757814 720896429 /nfs/dbraw/zinc/89/64/29/720896429.db2.gz VSVHVPASZHKSSM-HYBUGGRVSA-N 1 0 459.059 4.607 20 0 JJADRO CSc1ccnc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757812 720896710 /nfs/dbraw/zinc/89/67/10/720896710.db2.gz VSVHVPASZHKSSM-GBXCKJPGSA-N 1 0 459.059 4.607 20 0 JJADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753443 720897162 /nfs/dbraw/zinc/89/71/62/720897162.db2.gz GVSHKLPTBIRZNV-BTYSJIOQSA-N 1 0 483.616 4.835 20 0 JJADRO Fc1cccc(Oc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164754004 720901537 /nfs/dbraw/zinc/90/15/37/720901537.db2.gz IDEITSKRSWUCHZ-FIPFOOKPSA-N 1 0 489.595 4.558 20 0 JJADRO Fc1cccc(Oc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164754006 720902348 /nfs/dbraw/zinc/90/23/48/720902348.db2.gz IDEITSKRSWUCHZ-LXFBAYGMSA-N 1 0 489.595 4.558 20 0 JJADRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)cc1Cl ZINC001164756248 720903361 /nfs/dbraw/zinc/90/33/61/720903361.db2.gz OTISDQBXQCRAOO-HYBUGGRVSA-N 1 0 461.437 4.847 20 0 JJADRO Cc1nc(C2CCCCC2)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753198 720904902 /nfs/dbraw/zinc/90/49/02/720904902.db2.gz QUIWQLMOZAQXMI-WNJJXGMVSA-N 1 0 475.681 4.983 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164754615 720907419 /nfs/dbraw/zinc/90/74/19/720907419.db2.gz WFRYGRXVSFLBGU-NEKDWFFYSA-N 1 0 493.652 4.579 20 0 JJADRO Cc1cccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164750829 720911621 /nfs/dbraw/zinc/91/16/21/720911621.db2.gz KRGKFKSEEIFLBS-LITSAYRRSA-N 1 0 469.633 4.602 20 0 JJADRO Cc1cccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164750831 720912662 /nfs/dbraw/zinc/91/26/62/720912662.db2.gz KRGKFKSEEIFLBS-UHSQPCAPSA-N 1 0 469.633 4.602 20 0 JJADRO Clc1cccc(-c2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)c1 ZINC001164746492 720916854 /nfs/dbraw/zinc/91/68/54/720916854.db2.gz AYSUBMWCHBNGFT-YWEHKCAJSA-N 1 0 490.051 4.947 20 0 JJADRO Fc1cc2ncc(Cl)nc2cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747979 720919325 /nfs/dbraw/zinc/91/93/25/720919325.db2.gz FADJMVVVHUDXKT-RXFWQSSRSA-N 1 0 482.003 4.572 20 0 JJADRO Fc1cc2ncc(Cl)nc2cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747970 720919689 /nfs/dbraw/zinc/91/96/89/720919689.db2.gz FADJMVVVHUDXKT-FQRUVTKNSA-N 1 0 482.003 4.572 20 0 JJADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccsc2)n1 ZINC001164750158 720920574 /nfs/dbraw/zinc/92/05/74/720920574.db2.gz JMWZPVBJDLIBAN-SHQCIBLASA-N 1 0 475.662 4.664 20 0 JJADRO CCc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164747867 720920726 /nfs/dbraw/zinc/92/07/26/720920726.db2.gz DPHSJAISICEFML-BHBYDHKZSA-N 1 0 483.660 4.856 20 0 JJADRO Clc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(-c2ccccc2)n1 ZINC001164748087 720921916 /nfs/dbraw/zinc/92/19/16/720921916.db2.gz FUUCLUPMTJEEDV-UFHPHHKVSA-N 1 0 490.051 4.947 20 0 JJADRO CCOc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164753774 720923870 /nfs/dbraw/zinc/92/38/70/720923870.db2.gz SUGWXDSEHOTVIE-YZNIXAGQSA-N 1 0 499.659 4.692 20 0 JJADRO Fc1ccc2c(Cl)nnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164748043 720924670 /nfs/dbraw/zinc/92/46/70/720924670.db2.gz FJLNYDCHDZUAKS-FNZWTVRRSA-N 1 0 482.003 4.572 20 0 JJADRO COc1cc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1F ZINC001164749089 720934701 /nfs/dbraw/zinc/93/47/01/720934701.db2.gz HROGDUJBBKXPJQ-NEKDWFFYSA-N 1 0 476.596 4.533 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)[C@@H]2C ZINC001164860696 721003569 /nfs/dbraw/zinc/00/35/69/721003569.db2.gz PNFZHZKWCXATBD-QGZVFWFLSA-N 1 0 452.990 4.605 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164859681 721003737 /nfs/dbraw/zinc/00/37/37/721003737.db2.gz LFEXYEDUDFNPNM-SFHVURJKSA-N 1 0 469.703 4.768 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)[C@H]2C ZINC001164861224 721004545 /nfs/dbraw/zinc/00/45/45/721004545.db2.gz PUPPMKVUXLPMAP-AWEZNQCLSA-N 1 0 450.921 4.553 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)[C@@H]2C ZINC001164856422 721013243 /nfs/dbraw/zinc/01/32/43/721013243.db2.gz AEGWBZBVJJJZSV-OAQYLSRUSA-N 1 0 459.642 4.752 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)[C@H]2C ZINC001164864830 721020607 /nfs/dbraw/zinc/02/06/07/721020607.db2.gz ZUVGBAHWUCOAFY-SFHVURJKSA-N 1 0 489.027 4.872 20 0 JJADRO COc1ccccc1-c1cc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c(Cl)nn1 ZINC001164858073 721022602 /nfs/dbraw/zinc/02/26/02/721022602.db2.gz FUERKONETWODGR-INIZCTEOSA-N 1 0 490.986 4.968 20 0 JJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(CO)ccc4NC(=O)C(C)(C)C)CC3)CC2)cc1 ZINC001164758671 721045195 /nfs/dbraw/zinc/04/51/95/721045195.db2.gz AHOGZCAPACNFMP-UHFFFAOYSA-N 1 0 464.654 4.750 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3CC)[C@@H]2COCc2ccccc2)nc1 ZINC001164771574 721049125 /nfs/dbraw/zinc/04/91/25/721049125.db2.gz MVQSJFKHRRZHCM-RSXGOPAZSA-N 1 0 474.653 4.951 20 0 JJADRO CCn1nnc2c1CCN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)[C@@H]2COCc1ccccc1 ZINC001164772935 721049491 /nfs/dbraw/zinc/04/94/91/721049491.db2.gz QUOYJLBNYAVXBS-ILBGXUMGSA-N 1 0 460.626 4.561 20 0 JJADRO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866827 721065798 /nfs/dbraw/zinc/06/57/98/721065798.db2.gz FZWTXJYIIGOZDG-GOTSBHOMSA-N 1 0 470.951 4.822 20 0 JJADRO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866826 721066290 /nfs/dbraw/zinc/06/62/90/721066290.db2.gz FZWTXJYIIGOZDG-DHIUTWEWSA-N 1 0 470.951 4.822 20 0 JJADRO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164864271 721104616 /nfs/dbraw/zinc/10/46/16/721104616.db2.gz FFSMXNJUXLCNIF-PKTZIBPZSA-N 1 0 471.992 4.825 20 0 JJADRO c1ccc(COc2ccc3nc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)ccc3c2)cc1 ZINC001164864406 721105547 /nfs/dbraw/zinc/10/55/47/721105547.db2.gz FTTSIZMKHLEGLJ-BDYUSTAISA-N 1 0 466.585 4.689 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc(-c5ccc(-c6ccccc6)cc5)n4)C[C@H]3C2)cn1 ZINC001164772787 721134558 /nfs/dbraw/zinc/13/45/58/721134558.db2.gz WXWGCZJSDGVWNQ-DNQXCXABSA-N 1 0 486.023 4.551 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@H]3C2)cn1 ZINC001164763383 721153423 /nfs/dbraw/zinc/15/34/23/721153423.db2.gz FJEJLZFHFIZNQR-VQTJNVASSA-N 1 0 476.987 4.781 20 0 JJADRO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164881005 721168682 /nfs/dbraw/zinc/16/86/82/721168682.db2.gz YTTRMDRGJSPZHU-VQTJNVASSA-N 1 0 488.941 4.961 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871404 721194881 /nfs/dbraw/zinc/19/48/81/721194881.db2.gz YXLYTYLUZWOWAW-RBUKOAKNSA-N 1 0 476.980 4.883 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871406 721195943 /nfs/dbraw/zinc/19/59/43/721195943.db2.gz YXLYTYLUZWOWAW-RTBURBONSA-N 1 0 476.980 4.883 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871402 721195983 /nfs/dbraw/zinc/19/59/83/721195983.db2.gz YXLYTYLUZWOWAW-OALUTQOASA-N 1 0 476.980 4.883 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@@H]3C2)cn1 ZINC001164767793 721200916 /nfs/dbraw/zinc/20/09/16/721200916.db2.gz KPFDTKMKWUOGAI-OALUTQOASA-N 1 0 465.026 4.704 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@@H]3C2)cn1 ZINC001164764241 721215703 /nfs/dbraw/zinc/21/57/03/721215703.db2.gz GPBDANDZMMXRAY-YADHBBJMSA-N 1 0 456.619 4.564 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164869146 721224944 /nfs/dbraw/zinc/22/49/44/721224944.db2.gz CGETZPHOVWWIJS-DQEYMECFSA-N 1 0 493.696 4.505 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164869154 721225439 /nfs/dbraw/zinc/22/54/39/721225439.db2.gz CGETZPHOVWWIJS-RPBOFIJWSA-N 1 0 493.696 4.505 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@H]3C2)cn1 ZINC001164764919 721225488 /nfs/dbraw/zinc/22/54/88/721225488.db2.gz HCELJHFAKCEHGK-ZWKOTPCHSA-N 1 0 475.946 4.778 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164762565 721227876 /nfs/dbraw/zinc/22/78/76/721227876.db2.gz LFIBMMZJXMRNFL-BJKOFHAPSA-N 1 0 466.589 4.628 20 0 JJADRO O=C(NC[C@H]1CCC[C@@]2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164874152 721255827 /nfs/dbraw/zinc/25/58/27/721255827.db2.gz JHEKYKQPTHYERN-JOMNFKBKSA-N 1 0 496.655 4.588 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ccc(Cl)cc43)C2)C1 ZINC001164777454 721331661 /nfs/dbraw/zinc/33/16/61/721331661.db2.gz NRJRLZHREFSYEH-HSZRJFAPSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc(F)cc43)C2)C1 ZINC001164777859 721343037 /nfs/dbraw/zinc/34/30/37/721343037.db2.gz JJNYUURQFQDEGB-XMMPIXPASA-N 1 0 458.965 4.751 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(F)cc4ccc(Cl)nc43)C2)C1 ZINC001164779776 721350912 /nfs/dbraw/zinc/35/09/12/721350912.db2.gz WJRMOPMZJZTHFJ-XMMPIXPASA-N 1 0 458.965 4.751 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4cc(C)ccc43)C2)C1 ZINC001164782246 721354872 /nfs/dbraw/zinc/35/48/72/721354872.db2.gz LODPPPRVDXXKEM-VWLOTQADSA-N 1 0 455.002 4.920 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C4CCCCC4)nc(C)n3)C2)C1 ZINC001164781619 721364259 /nfs/dbraw/zinc/36/42/59/721364259.db2.gz KBYYXASPIYEQPC-SANMLTNESA-N 1 0 453.631 4.557 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(Cl)ccc(F)c4n3)C2)C1 ZINC001164785381 721373648 /nfs/dbraw/zinc/37/36/48/721373648.db2.gz RWARZGFOJSRCOX-DEOSSOPVSA-N 1 0 458.965 4.751 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4c(F)cccc34)C2)C1 ZINC001164781970 721374937 /nfs/dbraw/zinc/37/49/37/721374937.db2.gz LBHLSYBDTOBODK-XMMPIXPASA-N 1 0 458.965 4.751 20 0 JJADRO COc1cc2c(cc(Cl)nc2N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cc1F ZINC001164779717 721377011 /nfs/dbraw/zinc/37/70/11/721377011.db2.gz CHNKMWAPMBZXRR-VWLOTQADSA-N 1 0 488.991 4.760 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890917 721408821 /nfs/dbraw/zinc/40/88/21/721408821.db2.gz UILZIDJKTXSIRE-FREGXXQWSA-N 1 0 483.660 4.576 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887241 721419953 /nfs/dbraw/zinc/41/99/53/721419953.db2.gz LPYPIHVUCSJMCO-LXFBAYGMSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164898709 721444168 /nfs/dbraw/zinc/44/41/68/721444168.db2.gz WPFDZLONRIQFBS-FIBWVYCGSA-N 1 0 499.659 4.701 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164784519 721450311 /nfs/dbraw/zinc/45/03/11/721450311.db2.gz FWSGOBOHRBOFEO-LJQANCHMSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164790300 721451264 /nfs/dbraw/zinc/45/12/64/721451264.db2.gz XYMONVAZPUWCGV-KRWDZBQOSA-N 1 0 478.411 4.667 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164789399 721452628 /nfs/dbraw/zinc/45/26/28/721452628.db2.gz VIDJQSDYPXJJAJ-QHCPKHFHSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164789398 721452902 /nfs/dbraw/zinc/45/29/02/721452902.db2.gz VIDJQSDYPXJJAJ-HSZRJFAPSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164783661 721454648 /nfs/dbraw/zinc/45/46/48/721454648.db2.gz CNUOTLPMRQTZBT-MRXNPFEDSA-N 1 0 462.849 4.776 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164788599 721459626 /nfs/dbraw/zinc/45/96/26/721459626.db2.gz URCHYECJVSXOTE-IBGZPJMESA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164789282 721460080 /nfs/dbraw/zinc/46/00/80/721460080.db2.gz WLOPBJNEARHNKQ-NRFANRHFSA-N 1 0 462.009 4.761 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164784903 721462459 /nfs/dbraw/zinc/46/24/59/721462459.db2.gz KRLROCQDUBWIFQ-OAQYLSRUSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164790671 721467852 /nfs/dbraw/zinc/46/78/52/721467852.db2.gz UJVYTLHXOMQTNR-LJQANCHMSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164789983 721471557 /nfs/dbraw/zinc/47/15/57/721471557.db2.gz PRQBUWHYZJEOCS-QHCPKHFHSA-N 1 0 482.694 4.503 20 0 JJADRO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793420 721490522 /nfs/dbraw/zinc/49/05/22/721490522.db2.gz SCGHZDBFCOOWJU-UHFFFAOYSA-N 1 0 453.990 4.673 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)cc1 ZINC001164808360 721541345 /nfs/dbraw/zinc/54/13/45/721541345.db2.gz RPVSARCKAMMSMQ-QKDODKLFSA-N 1 0 499.590 4.708 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)cc1 ZINC001164808357 721541900 /nfs/dbraw/zinc/54/19/00/721541900.db2.gz RPVSARCKAMMSMQ-GMQQYTKMSA-N 1 0 499.590 4.708 20 0 JJADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CC[N@@H+]3C2)c1 ZINC001164905949 721561515 /nfs/dbraw/zinc/56/15/15/721561515.db2.gz IEDRGGGXDDDLAN-FPOVZHCZSA-N 1 0 474.914 4.823 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164810786 721577441 /nfs/dbraw/zinc/57/74/41/721577441.db2.gz WEIVLNVKZTZMKV-JIMJEQGWSA-N 1 0 469.564 4.699 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@H]2CCCO[C@@H]12 ZINC001164804122 721585909 /nfs/dbraw/zinc/58/59/09/721585909.db2.gz IXPVHWBNIXLIRU-MIZPHKNDSA-N 1 0 482.053 4.610 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)nc1 ZINC001164802031 721604209 /nfs/dbraw/zinc/60/42/09/721604209.db2.gz RSNCQIKXUNOGKO-ZCYQVOJMSA-N 1 0 450.627 4.726 20 0 JJADRO C[C@@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@@]5(CC[N@H+](Cc6ccccn6)C5)C4)c23)C1 ZINC001164905368 721702898 /nfs/dbraw/zinc/70/28/98/721702898.db2.gz ISUPSGDASOPVLH-MZNJEOGPSA-N 1 0 469.605 4.949 20 0 JJADRO Fc1cccc(Oc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164906582 721714765 /nfs/dbraw/zinc/71/47/65/721714765.db2.gz NAKMLWDLZDUEST-QFIPXVFZSA-N 1 0 490.917 4.589 20 0 JJADRO Cc1nc2sc3c(c2c(N2CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907413 721723679 /nfs/dbraw/zinc/72/36/79/721723679.db2.gz RRMMNQBJAVBVAL-HSZRJFAPSA-N 1 0 455.578 4.621 20 0 JJADRO O=C(OCc1ccccc1)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913893 721728202 /nfs/dbraw/zinc/72/82/02/721728202.db2.gz ZJEIGHKMUQJLDK-AREMUKBSSA-N 1 0 478.543 4.571 20 0 JJADRO FC1(F)CCN(c2nc(-c3ccncc3)nc3sccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913832 721732744 /nfs/dbraw/zinc/73/27/44/721732744.db2.gz YSKWJTDWBRGKLD-DEOSSOPVSA-N 1 0 478.572 4.886 20 0 JJADRO FC(F)(N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164909148 721737518 /nfs/dbraw/zinc/73/75/18/721737518.db2.gz CLOVEEBMMZOHJE-HXUWFJFHSA-N 1 0 468.926 4.988 20 0 JJADRO CCOC(=O)c1ccc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c(Cl)n1 ZINC001165013965 721767552 /nfs/dbraw/zinc/76/75/52/721767552.db2.gz CDVRWOYJXHASFK-UHFFFAOYSA-N 1 0 472.879 4.968 20 0 JJADRO c1cc(-c2ccc3c(C4CN(c5ncnc6c5CCN(Cc5ccccc5)C6)C4)[nH+]cn3c2)co1 ZINC001165013961 721767760 /nfs/dbraw/zinc/76/77/60/721767760.db2.gz BVCMYOZMKNRFCY-UHFFFAOYSA-N 1 0 462.557 4.546 20 0 JJADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015593 721767768 /nfs/dbraw/zinc/76/77/68/721767768.db2.gz SHHCJMQATZDIHZ-UHFFFAOYSA-N 1 0 458.852 4.578 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@@H]21 ZINC001165027230 721807090 /nfs/dbraw/zinc/80/70/90/721807090.db2.gz UOAIHIPZTUHPDE-VIICAESSSA-N 1 0 489.067 4.778 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@H]21 ZINC001165024535 721808406 /nfs/dbraw/zinc/80/84/06/721808406.db2.gz LUVBEFCGACJCKG-BSLALVQMSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@@H]21 ZINC001165022576 721814335 /nfs/dbraw/zinc/81/43/35/721814335.db2.gz FZCFNUBTIOAEFG-OUIFVKKZSA-N 1 0 470.596 4.751 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@@H]21 ZINC001165027174 721816679 /nfs/dbraw/zinc/81/66/79/721816679.db2.gz SVGWXPDAIBFNIG-DZFGPLHGSA-N 1 0 457.018 4.822 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@@H]21 ZINC001165030143 721822480 /nfs/dbraw/zinc/82/24/80/721822480.db2.gz YBECQEFYVHOVNL-HLAWJBBLSA-N 1 0 484.982 4.869 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@@H]21 ZINC001165020679 721822517 /nfs/dbraw/zinc/82/25/17/721822517.db2.gz DDUZCDNBPWYKHU-SESVDKBCSA-N 1 0 484.982 4.869 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)C[C@H]21 ZINC001165024000 721823504 /nfs/dbraw/zinc/82/35/04/721823504.db2.gz JGAJPOCHWSYAHH-YMVVMYQSSA-N 1 0 450.590 4.824 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)C[C@@H]21 ZINC001165023996 721823599 /nfs/dbraw/zinc/82/35/99/721823599.db2.gz JGAJPOCHWSYAHH-LJGDZFJRSA-N 1 0 450.590 4.824 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)C[C@@H]21 ZINC001165029062 721824704 /nfs/dbraw/zinc/82/47/04/721824704.db2.gz WURDTMLGZGSHNG-BAGYTPMASA-N 1 0 456.619 4.885 20 0 JJADRO Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)o2)cc1 ZINC001165023187 721825280 /nfs/dbraw/zinc/82/52/80/721825280.db2.gz IGRTVSWSVYDKLS-WWNPGLIZSA-N 1 0 454.578 4.725 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@H]21 ZINC001165026734 721825500 /nfs/dbraw/zinc/82/55/00/721825500.db2.gz PWLWYZKOQDORAS-OZOXKJRCSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)C[C@H]21 ZINC001165019832 721826036 /nfs/dbraw/zinc/82/60/36/721826036.db2.gz CGDJNRRBXWUJSK-LGPLSSKUSA-N 1 0 456.590 4.571 20 0 JJADRO COc1ccc(Oc2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc(C)n2)cc1 ZINC001165019145 721829170 /nfs/dbraw/zinc/82/91/70/721829170.db2.gz BFALVMCVSNIPRT-AMDXRBSFSA-N 1 0 459.594 4.718 20 0 JJADRO COc1ccc(Cc2c(C)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2C)cc1 ZINC001165022335 721829845 /nfs/dbraw/zinc/82/98/45/721829845.db2.gz GXMRIUJCSRHGFF-MXSCXNJPSA-N 1 0 471.649 4.825 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930930 721879664 /nfs/dbraw/zinc/87/96/64/721879664.db2.gz DLCXIWCEPPKEJL-DHIUTWEWSA-N 1 0 470.646 4.635 20 0 JJADRO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@H]5[C@@H]4CC[N@H+]5CCN(C)C)c23)cc1 ZINC001164935060 721880224 /nfs/dbraw/zinc/88/02/24/721880224.db2.gz VERRTMCQHVIRBY-ZEQRLZLVSA-N 1 0 484.673 4.943 20 0 JJADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c(Cl)nn2)cc1 ZINC001164930394 721890170 /nfs/dbraw/zinc/89/01/70/721890170.db2.gz BQCJVLVJFJWXRD-VXKWHMMOSA-N 1 0 464.004 4.680 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cnc(Cl)nc4Cl)CC3)C2)cc1 ZINC001164938176 721921085 /nfs/dbraw/zinc/92/10/85/721921085.db2.gz IYYBYOOPSYCWOC-UHFFFAOYSA-N 1 0 457.352 4.508 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)CC3)C2)cc1 ZINC001164937336 721921810 /nfs/dbraw/zinc/92/18/10/721921810.db2.gz CEHNZHBMNJHZSQ-UHFFFAOYSA-N 1 0 457.352 4.508 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(NC(=O)OC(C)(C)C)cn4)CC3)C2)cc1 ZINC001164938615 721930630 /nfs/dbraw/zinc/93/06/30/721930630.db2.gz AVSKJIJDTRWHTN-UHFFFAOYSA-N 1 0 452.599 4.608 20 0 JJADRO CC[NH+](CC)C1CCN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC001115859373 722005617 /nfs/dbraw/zinc/00/56/17/722005617.db2.gz UIZFSKMXSDRBTD-UHFFFAOYSA-N 1 0 465.667 4.501 20 0 JJADRO Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164950465 722006455 /nfs/dbraw/zinc/00/64/55/722006455.db2.gz CNFNIWCGAGBCOI-UHFFFAOYSA-N 1 0 496.993 4.782 20 0 JJADRO Clc1nc2c(c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n1)CN(Cc1ccccc1)C2 ZINC001164952012 722015443 /nfs/dbraw/zinc/01/54/43/722015443.db2.gz FZHJCBJYXWGRGS-UHFFFAOYSA-N 1 0 475.040 4.533 20 0 JJADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955247 722022003 /nfs/dbraw/zinc/02/20/03/722022003.db2.gz BWMFBLGRWAWVOS-JOCHJYFZSA-N 1 0 456.638 4.896 20 0 JJADRO Clc1nnc(Cl)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1N1CCCCC1 ZINC001164964452 722025174 /nfs/dbraw/zinc/02/51/74/722025174.db2.gz WKBQADLHTCIYNM-UHFFFAOYSA-N 1 0 461.441 4.661 20 0 JJADRO c1sc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1-c1ccccc1 ZINC001164958966 722054353 /nfs/dbraw/zinc/05/43/53/722054353.db2.gz IHCAIJHZGLGTMT-UHFFFAOYSA-N 1 0 471.630 4.872 20 0 JJADRO CSc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1Cl ZINC001164963790 722057288 /nfs/dbraw/zinc/05/72/88/722057288.db2.gz KYBOWHBAXCNTBY-UHFFFAOYSA-N 1 0 469.001 4.516 20 0 JJADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961636 722061278 /nfs/dbraw/zinc/06/12/78/722061278.db2.gz NJJJAHYXTXJEFX-UHFFFAOYSA-N 1 0 490.904 4.813 20 0 JJADRO Fc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164963724 722062151 /nfs/dbraw/zinc/06/21/51/722062151.db2.gz CKNCZGKAQKNPSW-UHFFFAOYSA-N 1 0 483.975 4.575 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964679 722062308 /nfs/dbraw/zinc/06/23/08/722062308.db2.gz HWCBLFGXRXZNBO-UHFFFAOYSA-N 1 0 462.972 4.671 20 0 JJADRO COc1cc2c(cc1F)cc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966460 722062494 /nfs/dbraw/zinc/06/24/94/722062494.db2.gz UIOORQVCCZWPME-UHFFFAOYSA-N 1 0 470.976 4.550 20 0 JJADRO CCc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164965156 722062568 /nfs/dbraw/zinc/06/25/68/722062568.db2.gz JDFDCHAZQDNTJV-UHFFFAOYSA-N 1 0 494.039 4.999 20 0 JJADRO O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164975851 722091224 /nfs/dbraw/zinc/09/12/24/722091224.db2.gz RAMRQUDKEXXJSA-XMMPIXPASA-N 1 0 458.650 4.553 20 0 JJADRO O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164977922 722092100 /nfs/dbraw/zinc/09/21/00/722092100.db2.gz IKWRBVAZGFFZTE-IBGZPJMESA-N 1 0 479.015 4.570 20 0 JJADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985810 722107962 /nfs/dbraw/zinc/10/79/62/722107962.db2.gz WYSXCJSIYBEZLO-FQRUVTKNSA-N 1 0 487.554 4.697 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1Cl ZINC001164979199 722108334 /nfs/dbraw/zinc/10/83/34/722108334.db2.gz PNNUDXAVSNBRKQ-KBPBESRZSA-N 1 0 462.208 4.818 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164979134 722111730 /nfs/dbraw/zinc/11/17/30/722111730.db2.gz PDNFUZFKYFRJMQ-VWNXMTODSA-N 1 0 471.630 4.789 20 0 JJADRO c1ccc(-c2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975717 722114730 /nfs/dbraw/zinc/11/47/30/722114730.db2.gz KLRYTBCMXMJADN-SVBPBHIXSA-N 1 0 477.612 4.933 20 0 JJADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976336 722123148 /nfs/dbraw/zinc/12/31/48/722123148.db2.gz LEVIVFSOEHRJBM-VQIMIIECSA-N 1 0 494.373 4.604 20 0 JJADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973206 722123508 /nfs/dbraw/zinc/12/35/08/722123508.db2.gz GWCOSTLKSQNVOC-UZLBHIALSA-N 1 0 494.373 4.604 20 0 JJADRO c1ccc(COc2ccc3nc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3c2)cc1 ZINC001164983211 722126243 /nfs/dbraw/zinc/12/62/43/722126243.db2.gz YMDBCYIVRGEEHH-WNJJXGMVSA-N 1 0 480.612 4.936 20 0 JJADRO Fc1ccc(-c2nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164982795 722141805 /nfs/dbraw/zinc/14/18/05/722141805.db2.gz SRWHFFAWBRVICC-GJZUVCINSA-N 1 0 469.564 4.558 20 0 JJADRO Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1Cl ZINC001164972153 722152534 /nfs/dbraw/zinc/15/25/34/722152534.db2.gz GAPOIMGERAVSBL-RXVVDRJESA-N 1 0 488.394 4.712 20 0 JJADRO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973849 722154338 /nfs/dbraw/zinc/15/43/38/722154338.db2.gz NCGMUYYYOGTGCF-GCJKJVERSA-N 1 0 486.403 4.698 20 0 JJADRO Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164972804 722158000 /nfs/dbraw/zinc/15/80/00/722158000.db2.gz JQXHQEPMWVPDKY-URXFXBBRSA-N 1 0 499.993 4.773 20 0 JJADRO c1ccc(C[N@@H+]2CCc3nc(N4CCC[C@@]5(C[C@@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976749 722164576 /nfs/dbraw/zinc/16/45/76/722164576.db2.gz CVSMJZYNSCLKPF-GGXMVOPNSA-N 1 0 461.650 4.975 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)nc1 ZINC001164992377 722186261 /nfs/dbraw/zinc/18/62/61/722186261.db2.gz WECIGBLAMSKCLR-SDHSZQHLSA-N 1 0 469.699 4.653 20 0 JJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c2ncn4[C@H]2CCCCO2)C3)c1 ZINC001164993936 722198900 /nfs/dbraw/zinc/19/89/00/722198900.db2.gz JMHDHNNXUOJGKE-NTKDMRAZSA-N 1 0 470.980 4.563 20 0 JJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c2ncn4[C@H]2CCCCO2)C3)c1 ZINC001164993935 722199042 /nfs/dbraw/zinc/19/90/42/722199042.db2.gz JMHDHNNXUOJGKE-DVECYGJZSA-N 1 0 470.980 4.563 20 0 JJADRO Fc1ccc(Oc2nc(Cl)nc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164995016 722203525 /nfs/dbraw/zinc/20/35/25/722203525.db2.gz KLCCSDSQVHPCDX-HSZRJFAPSA-N 1 0 457.912 4.840 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)CCC2 ZINC001165000948 722253033 /nfs/dbraw/zinc/25/30/33/722253033.db2.gz XDCJAYUPHLEWRU-UHFFFAOYSA-N 1 0 484.378 4.772 20 0 JJADRO CC(C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359715492 1064263695 /nfs/dbraw/zinc/26/36/95/1064263695.db2.gz CJCYGXKACBRRBG-FGZHOGPDSA-N 1 0 481.714 4.652 20 0 JJADRO CC(C)c1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CCC[N@H+](C)C1CCCCC1 ZINC001359716998 1064265664 /nfs/dbraw/zinc/26/56/64/1064265664.db2.gz DVKZZDGCIAFBCG-NRFANRHFSA-N 1 0 456.654 4.910 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545859171 1064267545 /nfs/dbraw/zinc/26/75/45/1064267545.db2.gz GKGGVIQYQOOPMX-OYRHEFFESA-N 1 0 472.722 4.747 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(I)cc1 ZINC001359720450 1064268045 /nfs/dbraw/zinc/26/80/45/1064268045.db2.gz SEECHKIGVAVFAF-UHFFFAOYSA-N 1 0 495.453 4.613 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359720449 1064268124 /nfs/dbraw/zinc/26/81/24/1064268124.db2.gz SDJCGZWFIKUTRW-QFIPXVFZSA-N 1 0 476.710 4.653 20 0 JJADRO CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359723221 1064270319 /nfs/dbraw/zinc/27/03/19/1064270319.db2.gz MQFCWRPZFAWWJL-TZIWHRDSSA-N 1 0 461.969 4.668 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001545862698 1064270712 /nfs/dbraw/zinc/27/07/12/1064270712.db2.gz QEUMGRROFHSNFJ-CTNGQTDRSA-N 1 0 472.703 4.577 20 0 JJADRO CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359723672 1064271269 /nfs/dbraw/zinc/27/12/69/1064271269.db2.gz WPYIBYYMIQLINK-PKTZIBPZSA-N 1 0 461.601 4.768 20 0 JJADRO CC(C)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359724712 1064272461 /nfs/dbraw/zinc/27/24/61/1064272461.db2.gz SQZUYVPRLDWITN-FCHUYYIVSA-N 1 0 453.656 4.604 20 0 JJADRO CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001359726958 1064273627 /nfs/dbraw/zinc/27/36/27/1064273627.db2.gz BNNCSXMQNOOYAE-QKNQBKEWSA-N 1 0 488.702 4.650 20 0 JJADRO CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CC1([NH+](C)C)CCCCC1 ZINC001359727066 1064273654 /nfs/dbraw/zinc/27/36/54/1064273654.db2.gz HOZPDIDMNNWABY-SFTDATJTSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001359727905 1064274720 /nfs/dbraw/zinc/27/47/20/1064274720.db2.gz LBRXVDVSWJZQJG-DNQXCXABSA-N 1 0 496.700 4.663 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001359728346 1064275470 /nfs/dbraw/zinc/27/54/70/1064275470.db2.gz BOXYGABCZHTAKL-LJQANCHMSA-N 1 0 478.504 4.629 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001359728457 1064275825 /nfs/dbraw/zinc/27/58/25/1064275825.db2.gz DEPDNSDCAMPJKY-HSZRJFAPSA-N 1 0 452.691 4.660 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)C2CCCC2)C1 ZINC001359728637 1064276596 /nfs/dbraw/zinc/27/65/96/1064276596.db2.gz HOWJFYPIPGEUGG-SFHVURJKSA-N 1 0 477.495 4.793 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001545869883 1064281236 /nfs/dbraw/zinc/28/12/36/1064281236.db2.gz ARVGZWSERMRKRM-NRFANRHFSA-N 1 0 484.664 4.594 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001359730252 1064281610 /nfs/dbraw/zinc/28/16/10/1064281610.db2.gz QOOVOMAVEAAGSD-JOCHJYFZSA-N 1 0 493.700 4.573 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)n1CCC1CC[NH+](CC)CC1 ZINC001545870411 1064283915 /nfs/dbraw/zinc/28/39/15/1064283915.db2.gz NHVQRGCYVIEOQU-BWKNWUBXSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001545870379 1064284137 /nfs/dbraw/zinc/28/41/37/1064284137.db2.gz MUHQYSBLBKKBPE-DHLKQENFSA-N 1 0 498.691 4.840 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001545870633 1064285249 /nfs/dbraw/zinc/28/52/49/1064285249.db2.gz SASGIBNYHXQBIG-LADGPHEKSA-N 1 0 480.701 4.763 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001545870841 1064285726 /nfs/dbraw/zinc/28/57/26/1064285726.db2.gz XZBJFWYZGSOQRA-XUZZJYLKSA-N 1 0 484.664 4.594 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001359732325 1064286476 /nfs/dbraw/zinc/28/64/76/1064286476.db2.gz BTOSFXZEWCKOBQ-OAQYLSRUSA-N 1 0 486.730 4.797 20 0 JJADRO CC(C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001359732893 1064288563 /nfs/dbraw/zinc/28/85/63/1064288563.db2.gz NBUPDCGJJPISLF-ZCYQVOJMSA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCCC[NH+]1CCCC1 ZINC001359733325 1064290307 /nfs/dbraw/zinc/29/03/07/1064290307.db2.gz WOCLSGJTQMVILL-HXUWFJFHSA-N 1 0 477.495 4.937 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCCc1ccc(Br)cc1 ZINC001545879928 1064295447 /nfs/dbraw/zinc/29/54/47/1064295447.db2.gz KASXMJCKOBOKGI-QFIPXVFZSA-N 1 0 459.428 4.991 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1cc(Br)cs1 ZINC001545880098 1064295614 /nfs/dbraw/zinc/29/56/14/1064295614.db2.gz PWJWRIBHPRSQGI-SFHVURJKSA-N 1 0 451.430 4.662 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC001545880142 1064296391 /nfs/dbraw/zinc/29/63/91/1064296391.db2.gz RGYPCRYWPDMKMK-QUCCMNQESA-N 1 0 452.624 4.576 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359737582 1064298352 /nfs/dbraw/zinc/29/83/52/1064298352.db2.gz AQNBKDZEBJVIRU-LRSLUSHPSA-N 1 0 488.721 4.794 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001359737615 1064298444 /nfs/dbraw/zinc/29/84/44/1064298444.db2.gz BOLYBORLGBUPOP-XJUOHMSHSA-N 1 0 488.721 4.938 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359737581 1064298568 /nfs/dbraw/zinc/29/85/68/1064298568.db2.gz AQNBKDZEBJVIRU-LNRXMEIDSA-N 1 0 488.721 4.794 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359737578 1064298687 /nfs/dbraw/zinc/29/86/87/1064298687.db2.gz APDDTJQZKFDPEJ-PCCBWWKXSA-N 1 0 486.661 4.871 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359737792 1064299764 /nfs/dbraw/zinc/29/97/64/1064299764.db2.gz GPGPJENFYQZNQO-LEWJYISDSA-N 1 0 457.619 4.985 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001545884816 1064301289 /nfs/dbraw/zinc/30/12/89/1064301289.db2.gz GDWBGELASIHFNB-HXUWFJFHSA-N 1 0 494.675 4.723 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001545885029 1064301954 /nfs/dbraw/zinc/30/19/54/1064301954.db2.gz LGQLIZWFHKSSBJ-JOCHJYFZSA-N 1 0 472.722 4.725 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001545886629 1064303839 /nfs/dbraw/zinc/30/38/39/1064303839.db2.gz GYWDZZGPWAAHHU-RTBURBONSA-N 1 0 487.092 4.533 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CC=CCC2)CCS1 ZINC001359746310 1064323643 /nfs/dbraw/zinc/32/36/43/1064323643.db2.gz DBGMHXUJZYMOKQ-HXUWFJFHSA-N 1 0 476.488 4.547 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)CCS1 ZINC001359746799 1064324867 /nfs/dbraw/zinc/32/48/67/1064324867.db2.gz NKPNSERRRPMAAB-IBGZPJMESA-N 1 0 495.535 4.736 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001359746659 1064324949 /nfs/dbraw/zinc/32/49/49/1064324949.db2.gz KVTCSEUUYMQJBA-PMACEKPBSA-N 1 0 460.047 4.824 20 0 JJADRO CC1(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001434897236 1064325246 /nfs/dbraw/zinc/32/52/46/1064325246.db2.gz OOJJXBLGIVLKOU-UHFFFAOYSA-N 1 0 456.512 4.810 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](C)[NH+]2CCCCC2)CCS1 ZINC001359747581 1064329673 /nfs/dbraw/zinc/32/96/73/1064329673.db2.gz DZCNYAUIWQQPDV-AZUAARDMSA-N 1 0 463.095 4.836 20 0 JJADRO O=C(c1ccc(Oc2ccc(Br)cc2)nc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001434914463 1064341268 /nfs/dbraw/zinc/34/12/68/1064341268.db2.gz BJZVWVGBLUQIFT-UHFFFAOYSA-N 1 0 458.400 4.975 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2coc(-c3ccccc3Cl)n2)CC1 ZINC001434918444 1064345615 /nfs/dbraw/zinc/34/56/15/1064345615.db2.gz FSQSSEFELPPVAH-MRXNPFEDSA-N 1 0 456.949 4.767 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CC[NH+](C(C)C)C(C)C)CCS1 ZINC001359755118 1064347193 /nfs/dbraw/zinc/34/71/93/1064347193.db2.gz STPQFTFQCQXHQA-XMMPIXPASA-N 1 0 468.715 4.978 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CC[NH+](C(C)C)C(C)C)CCS1 ZINC001359755117 1064347327 /nfs/dbraw/zinc/34/73/27/1064347327.db2.gz STPQFTFQCQXHQA-DEOSSOPVSA-N 1 0 468.715 4.978 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(-n3cccc3)ccc2Cl)CC1 ZINC001434920664 1064347840 /nfs/dbraw/zinc/34/78/40/1064347840.db2.gz NUCXHOFADVCBKK-GOSISDBHSA-N 1 0 454.977 4.903 20 0 JJADRO COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001434920355 1064348015 /nfs/dbraw/zinc/34/80/15/1064348015.db2.gz BHUJYVYTJRMHJV-UHFFFAOYSA-N 1 0 456.011 4.983 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC001434922185 1064350670 /nfs/dbraw/zinc/35/06/70/1064350670.db2.gz RKVCVCLPTQGYJF-OAHLLOKOSA-N 1 0 454.373 4.531 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2csc(-c3ccccc3C)n2)CC1 ZINC001434922755 1064351243 /nfs/dbraw/zinc/35/12/43/1064351243.db2.gz UXPIPCWFSRDTHN-SFHVURJKSA-N 1 0 452.599 4.891 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001359756552 1064353981 /nfs/dbraw/zinc/35/39/81/1064353981.db2.gz UNPBLVUTVNLEPW-MJTJJFPGSA-N 1 0 483.701 4.578 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001359756420 1064354264 /nfs/dbraw/zinc/35/42/64/1064354264.db2.gz QXCOQOHVRHALAS-XPWALMASSA-N 1 0 463.711 4.567 20 0 JJADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001359756554 1064354748 /nfs/dbraw/zinc/35/47/48/1064354748.db2.gz UNPBLVUTVNLEPW-WJNCPCKPSA-N 1 0 483.701 4.578 20 0 JJADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3nnn(-c4cccc(Cl)c4)c3C)ccc21 ZINC001434945330 1064366383 /nfs/dbraw/zinc/36/63/83/1064366383.db2.gz CAAQQXSSBADSHP-UHFFFAOYSA-N 1 0 450.974 4.778 20 0 JJADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC001434948155 1064368762 /nfs/dbraw/zinc/36/87/62/1064368762.db2.gz YUPDKFKEISXXJF-UHFFFAOYSA-N 1 0 458.356 4.955 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCSC1)[NH+](C)C ZINC001359764435 1064383740 /nfs/dbraw/zinc/38/37/40/1064383740.db2.gz AZOMAOQHYATLFU-OALUTQOASA-N 1 0 466.493 4.626 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)C1)[NH+](C)C ZINC001359764684 1064385376 /nfs/dbraw/zinc/38/53/76/1064385376.db2.gz HDPJFYRKXGAOJN-UYAOXDASSA-N 1 0 464.054 4.663 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001359765024 1064386129 /nfs/dbraw/zinc/38/61/29/1064386129.db2.gz OCOIJGXOKKTDFW-VIZSFHNOSA-N 1 0 475.653 4.785 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+](C)C ZINC001359765300 1064387517 /nfs/dbraw/zinc/38/75/17/1064387517.db2.gz ULVNOTUIAFQBMV-WERVVEIQSA-N 1 0 463.667 4.864 20 0 JJADRO CCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001434974392 1064388878 /nfs/dbraw/zinc/38/88/78/1064388878.db2.gz FQOZHALKLSOBLF-XMMPIXPASA-N 1 0 453.652 4.570 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C)C1)[NH+](C)C ZINC001359765975 1064389394 /nfs/dbraw/zinc/38/93/94/1064389394.db2.gz GBCAMJOSTUKXFE-RDJZCZTQSA-N 1 0 484.870 4.562 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C)C1)[NH+](C)C ZINC001359765974 1064389450 /nfs/dbraw/zinc/38/94/50/1064389450.db2.gz GBCAMJOSTUKXFE-NVXWUHKLSA-N 1 0 484.870 4.562 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1CCSC1)[NH+](C)C ZINC001359765872 1064389516 /nfs/dbraw/zinc/38/95/16/1064389516.db2.gz DJFVZNSEIQSELK-SJORKVTESA-N 1 0 484.483 4.765 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1CCSC1)[NH+](C)C ZINC001359765869 1064389593 /nfs/dbraw/zinc/38/95/93/1064389593.db2.gz DJFVZNSEIQSELK-DLBZAZTESA-N 1 0 484.483 4.765 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCCCO1)[NH+](C)C ZINC001359766266 1064390852 /nfs/dbraw/zinc/39/08/52/1064390852.db2.gz KKGSXOUCCQILGL-RTBURBONSA-N 1 0 496.469 4.828 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCCCO1)[NH+](C)C ZINC001359766265 1064390985 /nfs/dbraw/zinc/39/09/85/1064390985.db2.gz KKGSXOUCCQILGL-RBUKOAKNSA-N 1 0 496.469 4.828 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CC(F)C1)[NH+](C)C ZINC001359766337 1064391842 /nfs/dbraw/zinc/39/18/42/1064391842.db2.gz LUTCSNRYXAMKAG-GQOXECLESA-N 1 0 466.443 4.868 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001359766795 1064394350 /nfs/dbraw/zinc/39/43/50/1064394350.db2.gz URDFHZWTPSPMJV-CYFREDJKSA-N 1 0 463.070 4.611 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001359767037 1064395338 /nfs/dbraw/zinc/39/53/38/1064395338.db2.gz ZMSXZSFTQAZFQJ-DSKINZAPSA-N 1 0 490.574 4.626 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1)[NH+](C)C ZINC001359767339 1064396161 /nfs/dbraw/zinc/39/61/61/1064396161.db2.gz FRBATCXRGOVFLR-HSZRJFAPSA-N 1 0 498.691 4.535 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCc2ccc(Br)cc2C1)[NH+](C)C ZINC001359767478 1064397110 /nfs/dbraw/zinc/39/71/10/1064397110.db2.gz IRQUFIDJYSPZCY-OAQYLSRUSA-N 1 0 483.458 4.642 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)(F)F)[NH+](C)C ZINC001359767700 1064397182 /nfs/dbraw/zinc/39/71/82/1064397182.db2.gz MYNQPHNIWMALNE-SFHVURJKSA-N 1 0 464.536 4.965 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1Cc2cccc(Br)c2C1)[NH+](C)C ZINC001359768224 1064397722 /nfs/dbraw/zinc/39/77/22/1064397722.db2.gz WRTXJZSXQLIMFD-SFHVURJKSA-N 1 0 471.447 4.543 20 0 JJADRO Cc1cc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)nn1-c1cc(C)cc(C)c1 ZINC001434980933 1064398042 /nfs/dbraw/zinc/39/80/42/1064398042.db2.gz JNKDDMWXTKYOSI-UHFFFAOYSA-N 1 0 459.594 4.864 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001359768877 1064398727 /nfs/dbraw/zinc/39/87/27/1064398727.db2.gz GWHOUDIXQOZZJU-LEWJYISDSA-N 1 0 457.667 4.802 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001359768880 1064398777 /nfs/dbraw/zinc/39/87/77/1064398777.db2.gz GWHOUDIXQOZZJU-SFTDATJTSA-N 1 0 457.667 4.802 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001359768665 1064398799 /nfs/dbraw/zinc/39/87/99/1064398799.db2.gz DCISIXKSDVFWRI-JOCHJYFZSA-N 1 0 476.710 4.605 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1)[NH+](C)C ZINC001359769148 1064399167 /nfs/dbraw/zinc/39/91/67/1064399167.db2.gz LHSHKDBYTUAAFO-BHIFYINESA-N 1 0 476.710 4.605 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1F)C1CC1)[NH+](C)C ZINC001359769144 1064399223 /nfs/dbraw/zinc/39/92/23/1064399223.db2.gz LAKLVXCZPNSCMZ-UGKGYDQZSA-N 1 0 461.601 4.596 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)CC1)[NH+](C)C ZINC001359769624 1064400121 /nfs/dbraw/zinc/40/01/21/1064400121.db2.gz RVFQDIAIIPJJHG-QFIPXVFZSA-N 1 0 476.710 4.605 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359769575 1064400296 /nfs/dbraw/zinc/40/02/96/1064400296.db2.gz RGCKPOXBBKFISZ-BAGYTPMASA-N 1 0 476.710 4.652 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCc2cccc(Br)c2C1)[NH+](C)C ZINC001359770357 1064401903 /nfs/dbraw/zinc/40/19/03/1064401903.db2.gz DJLGMBDCWOLKLD-NRFANRHFSA-N 1 0 497.485 4.565 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCc1cccs1)[NH+](C)C ZINC001359770471 1064401968 /nfs/dbraw/zinc/40/19/68/1064401968.db2.gz GHYMODYDOWYHMU-WMZHIEFXSA-N 1 0 469.655 4.507 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C)[NH+](C)C ZINC001359770777 1064402646 /nfs/dbraw/zinc/40/26/46/1064402646.db2.gz LPGZSKOOOXIHQF-RTWAWAEBSA-N 1 0 458.670 4.697 20 0 JJADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C)[NH+](C)C ZINC001359770776 1064402685 /nfs/dbraw/zinc/40/26/85/1064402685.db2.gz LPGZSKOOOXIHQF-NHCUHLMSSA-N 1 0 458.670 4.697 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC(C)(C)C)CC1)[NH+](C)C ZINC001359770508 1064402781 /nfs/dbraw/zinc/40/27/81/1064402781.db2.gz GWGLAVSRVBFSFU-QFIPXVFZSA-N 1 0 459.654 4.768 20 0 JJADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001359771061 1064403580 /nfs/dbraw/zinc/40/35/80/1064403580.db2.gz PUFKFJQEPKDPLZ-HSZRJFAPSA-N 1 0 474.738 4.508 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+](C)C ZINC001359771120 1064403688 /nfs/dbraw/zinc/40/36/88/1064403688.db2.gz QYBOAZARSICQIR-OAQYLSRUSA-N 1 0 491.606 4.662 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001359771226 1064404336 /nfs/dbraw/zinc/40/43/36/1064404336.db2.gz SOIJVAJEORWQCG-BKMJKUGQSA-N 1 0 476.109 4.680 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCc2ccc(Br)cc2C1)[NH+](C)C ZINC001359771394 1064405082 /nfs/dbraw/zinc/40/50/82/1064405082.db2.gz WFWXMZOPOSONAN-QHCPKHFHSA-N 1 0 497.485 4.565 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1)[NH+](C)C ZINC001359771512 1064405110 /nfs/dbraw/zinc/40/51/10/1064405110.db2.gz YRXBKVVLXMQBGM-FGZHOGPDSA-N 1 0 483.060 4.551 20 0 JJADRO CC(C)C[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2F)CC1)[NH+](C)C ZINC001359771733 1064405964 /nfs/dbraw/zinc/40/59/64/1064405964.db2.gz CEJMHAZDGOYKAY-OAQYLSRUSA-N 1 0 474.644 4.592 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1)[NH+](C)C ZINC001359772334 1064408271 /nfs/dbraw/zinc/40/82/71/1064408271.db2.gz NPYPZNFUFGKRRP-ZYQDXHPFSA-N 1 0 469.674 4.710 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1)[NH+](C)C ZINC001359772332 1064408334 /nfs/dbraw/zinc/40/83/34/1064408334.db2.gz NPYPZNFUFGKRRP-VPBXCIAMSA-N 1 0 469.674 4.710 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+](C)C ZINC001359772995 1064409956 /nfs/dbraw/zinc/40/99/56/1064409956.db2.gz ZZYTWAIVZBOWPU-QWFCFKBJSA-N 1 0 466.095 4.817 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001359772996 1064409969 /nfs/dbraw/zinc/40/99/69/1064409969.db2.gz ZZYTWAIVZBOWPU-WSTZPKSXSA-N 1 0 466.095 4.817 20 0 JJADRO CC(C)C[C@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21)[NH+](C)C ZINC001359772828 1064409992 /nfs/dbraw/zinc/40/99/92/1064409992.db2.gz WUZRVIHMUMTQKF-VRUIKYSZSA-N 1 0 453.675 4.891 20 0 JJADRO CC(C)CC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001359773284 1064410802 /nfs/dbraw/zinc/41/08/02/1064410802.db2.gz KOPYSOZBGBPFMC-UHFFFAOYSA-N 1 0 487.092 4.608 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(OC)c(Br)s2)ccc1OC ZINC001435001708 1064416513 /nfs/dbraw/zinc/41/65/13/1064416513.db2.gz CFRIXJGNLZEKFE-UHFFFAOYSA-N 1 0 457.390 4.501 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)c2sc(Cl)nc2C(F)(F)F)ccc1OC ZINC001435002234 1064417265 /nfs/dbraw/zinc/41/72/65/1064417265.db2.gz ILCCDHWYVWQQCI-UHFFFAOYSA-N 1 0 451.898 4.797 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359776004 1064418486 /nfs/dbraw/zinc/41/84/86/1064418486.db2.gz ZOFDSKTYGYXXOW-VXKWHMMOSA-N 1 0 482.673 4.751 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CCOC1CCCCCC1 ZINC001359777206 1064420309 /nfs/dbraw/zinc/42/03/09/1064420309.db2.gz DNMRXZHGUZYQDJ-DEOSSOPVSA-N 1 0 453.675 4.927 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccc(Br)o2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359780518 1064429589 /nfs/dbraw/zinc/42/95/89/1064429589.db2.gz YIJBHLYIXQGHIK-QGZVFWFLSA-N 1 0 452.441 4.591 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccccc2C(F)(F)F)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359781100 1064431526 /nfs/dbraw/zinc/43/15/26/1064431526.db2.gz UMHJPBDMNPRHJA-KDURUIRLSA-N 1 0 467.580 4.631 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359783581 1064434919 /nfs/dbraw/zinc/43/49/19/1064434919.db2.gz DEJKMCSKLACSAM-NRFANRHFSA-N 1 0 481.714 4.632 20 0 JJADRO CC(C)Cc1nnc(N(C)CCOc2ccccc2Cl)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359786104 1064439614 /nfs/dbraw/zinc/43/96/14/1064439614.db2.gz LIZZHNMBRARVDA-WOJBJXKFSA-N 1 0 478.081 4.533 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)c1ccccc1 ZINC001359786429 1064440704 /nfs/dbraw/zinc/44/07/04/1064440704.db2.gz XJSPCIGEYGRDLM-VIICAESSSA-N 1 0 463.674 4.533 20 0 JJADRO CC(C)Cc1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359791866 1064449210 /nfs/dbraw/zinc/44/92/10/1064449210.db2.gz GZBLNQUOZNPONY-ZWKOTPCHSA-N 1 0 460.464 4.880 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@H]2CC)n1CC[NH+]1CCCCCC1 ZINC001545888347 1064458085 /nfs/dbraw/zinc/45/80/85/1064458085.db2.gz IHYYCYZMGZCHBS-OAQYLSRUSA-N 1 0 472.703 4.648 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001359798475 1064462376 /nfs/dbraw/zinc/46/23/76/1064462376.db2.gz JQDSTYNHMIALFK-HNNXBMFYSA-N 1 0 455.491 4.530 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359798646 1064463263 /nfs/dbraw/zinc/46/32/63/1064463263.db2.gz MHTYYYANEQQLOS-YADHBBJMSA-N 1 0 490.737 4.871 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359799165 1064465206 /nfs/dbraw/zinc/46/52/06/1064465206.db2.gz YJZQVIBGPIDMOQ-VXKWHMMOSA-N 1 0 490.737 4.871 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359800219 1064466796 /nfs/dbraw/zinc/46/67/96/1064466796.db2.gz DJACEIJEBKZQNQ-HFZDXXHNSA-N 1 0 471.665 4.688 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359807744 1064478033 /nfs/dbraw/zinc/47/80/33/1064478033.db2.gz BYDPMUSFFCEKIV-ISKFKSNPSA-N 1 0 498.716 4.690 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359808573 1064480739 /nfs/dbraw/zinc/48/07/39/1064480739.db2.gz PNYGRIGPKKMNGS-TZIWHRDSSA-N 1 0 490.718 4.534 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@](C)(O)c1cccs1 ZINC001359808874 1064481748 /nfs/dbraw/zinc/48/17/48/1064481748.db2.gz YVCGHSDQTZRVNT-LVXARBLLSA-N 1 0 473.731 4.927 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359809165 1064482654 /nfs/dbraw/zinc/48/26/54/1064482654.db2.gz IRTSPVFYPQNXEZ-HSZRJFAPSA-N 1 0 497.581 4.646 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC001435064070 1064483499 /nfs/dbraw/zinc/48/34/99/1064483499.db2.gz IOSLGKJFXLNJSN-UHFFFAOYSA-N 1 0 454.924 4.558 20 0 JJADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)cc1-c1ccccn1 ZINC001435065786 1064485292 /nfs/dbraw/zinc/48/52/92/1064485292.db2.gz QFQHRNNDIMODPL-UHFFFAOYSA-N 1 0 457.496 4.980 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1c(C)c(C)sc1=O ZINC001435066936 1064487750 /nfs/dbraw/zinc/48/77/50/1064487750.db2.gz SKPFOWYDSKSNBR-UHFFFAOYSA-N 1 0 458.455 4.594 20 0 JJADRO O=C(c1cnc(Br)c(Cl)c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001435068287 1064489422 /nfs/dbraw/zinc/48/94/22/1064489422.db2.gz PLGBZLYRJMZMEJ-UHFFFAOYSA-N 1 0 457.199 4.889 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359815644 1064497028 /nfs/dbraw/zinc/49/70/28/1064497028.db2.gz QWVOTIBVCPOZPK-HHHXNRCGSA-N 1 0 488.120 4.969 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359815771 1064497137 /nfs/dbraw/zinc/49/71/37/1064497137.db2.gz VAAZVNLMOPEGDO-HXUWFJFHSA-N 1 0 475.628 4.507 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359817378 1064500044 /nfs/dbraw/zinc/50/00/44/1064500044.db2.gz CCPGWOBVPDAMGT-VWNXMTODSA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001359819084 1064502930 /nfs/dbraw/zinc/50/29/30/1064502930.db2.gz KCVJVNLRBZQLNN-UHFFFAOYSA-N 1 0 479.591 4.625 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359819874 1064503457 /nfs/dbraw/zinc/50/34/57/1064503457.db2.gz YMZFGFRNNFZWKB-OAQYLSRUSA-N 1 0 467.649 4.773 20 0 JJADRO CC(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359821368 1064504297 /nfs/dbraw/zinc/50/42/97/1064504297.db2.gz IOGSJUXEXGVXDO-OALUTQOASA-N 1 0 474.491 4.922 20 0 JJADRO CC(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359821367 1064504326 /nfs/dbraw/zinc/50/43/26/1064504326.db2.gz IOGSJUXEXGVXDO-MOPGFXCFSA-N 1 0 474.491 4.922 20 0 JJADRO CC(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359821369 1064504534 /nfs/dbraw/zinc/50/45/34/1064504534.db2.gz IOGSJUXEXGVXDO-RBUKOAKNSA-N 1 0 474.491 4.922 20 0 JJADRO CC(C)Cc1nnc(N2CCc3cc(Br)ccc3C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359823368 1064505823 /nfs/dbraw/zinc/50/58/23/1064505823.db2.gz SBPMIYPOBJVNOZ-HXUWFJFHSA-N 1 0 472.431 4.698 20 0 JJADRO CC(C)Cc1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359823560 1064505857 /nfs/dbraw/zinc/50/58/57/1064505857.db2.gz VLDQCXQHWPGZSH-HXUWFJFHSA-N 1 0 453.675 4.947 20 0 JJADRO C[C@@H](CNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1)[N@@H+]1CCc2ccccc2C1 ZINC001359829188 1064510920 /nfs/dbraw/zinc/51/09/20/1064510920.db2.gz RKFHONQVKOTBND-INIZCTEOSA-N 1 0 455.574 4.929 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359830930 1064514160 /nfs/dbraw/zinc/51/41/60/1064514160.db2.gz TWNKRGWGPODLCG-XZOQPEGZSA-N 1 0 490.737 4.682 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359830927 1064514206 /nfs/dbraw/zinc/51/42/06/1064514206.db2.gz TWNKRGWGPODLCG-DHIUTWEWSA-N 1 0 490.737 4.682 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001359832182 1064515305 /nfs/dbraw/zinc/51/53/05/1064515305.db2.gz GJSKWGGSAODGPX-GKAFBRTNSA-N 1 0 467.702 4.865 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001359832183 1064515554 /nfs/dbraw/zinc/51/55/54/1064515554.db2.gz GJSKWGGSAODGPX-JPYHZWLXSA-N 1 0 467.702 4.865 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359833655 1064519532 /nfs/dbraw/zinc/51/95/32/1064519532.db2.gz ZHMFOQSLWLGLNX-LOYIFYEOSA-N 1 0 490.737 4.728 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1OC1CCCC1 ZINC001359847024 1064533560 /nfs/dbraw/zinc/53/35/60/1064533560.db2.gz GCDVNMCPNKNYTN-UHFFFAOYSA-N 1 0 459.428 4.903 20 0 JJADRO COc1cccc(COCC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001359847275 1064533623 /nfs/dbraw/zinc/53/36/23/1064533623.db2.gz LCWCHWMESXWNQO-UHFFFAOYSA-N 1 0 451.394 4.643 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC001435130567 1064535437 /nfs/dbraw/zinc/53/54/37/1064535437.db2.gz BCTWTZCGSIFLNQ-NZQKXSOJSA-N 1 0 452.599 4.506 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)[C@H](C)C1 ZINC001435131310 1064536096 /nfs/dbraw/zinc/53/60/96/1064536096.db2.gz DRQLQOZINICACN-SJLPKXTDSA-N 1 0 454.537 4.503 20 0 JJADRO O=C(COc1ccccc1OCC(F)(F)F)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001435132600 1064537203 /nfs/dbraw/zinc/53/72/03/1064537203.db2.gz FFEYHGMKNFIXLW-UHFFFAOYSA-N 1 0 450.501 4.699 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001359851596 1064539095 /nfs/dbraw/zinc/53/90/95/1064539095.db2.gz BYHNOCKZDZFJAO-UHFFFAOYSA-N 1 0 480.623 4.941 20 0 JJADRO CC(C)(C)OC(=O)NC1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC2(CCC2)C1 ZINC001435140889 1064541411 /nfs/dbraw/zinc/54/14/11/1064541411.db2.gz XIZJAUWBMHORRT-UHFFFAOYSA-N 1 0 455.643 4.906 20 0 JJADRO Cc1nc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)ccc2n1Cc1ccsc1 ZINC001359853636 1064541537 /nfs/dbraw/zinc/54/15/37/1064541537.db2.gz MCCZNIDMKHOAFW-UHFFFAOYSA-N 1 0 450.583 4.798 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCOc1ccccc1C(C)C ZINC001359855209 1064542719 /nfs/dbraw/zinc/54/27/19/1064542719.db2.gz GIGIYMDXCSNISL-QFIPXVFZSA-N 1 0 453.675 4.990 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359856173 1064543962 /nfs/dbraw/zinc/54/39/62/1064543962.db2.gz WQNZODQRRSBHJV-UHFFFAOYSA-N 1 0 465.564 4.531 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1csc(CCc2ccccc2)n1 ZINC001359857765 1064544781 /nfs/dbraw/zinc/54/47/81/1064544781.db2.gz GIHXKRVQQUFOQS-UHFFFAOYSA-N 1 0 466.699 4.545 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@](C)(O)C1CCCCC1 ZINC001359861363 1064551849 /nfs/dbraw/zinc/55/18/49/1064551849.db2.gz SUUHNIGIKSMSLY-AJTFRIOCSA-N 1 0 453.675 4.519 20 0 JJADRO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001359861480 1064551909 /nfs/dbraw/zinc/55/19/09/1064551909.db2.gz XAQZXNRSWFNJHG-UHFFFAOYSA-N 1 0 473.109 4.717 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@](C)(O)C1CCCCC1 ZINC001359861364 1064552121 /nfs/dbraw/zinc/55/21/21/1064552121.db2.gz SUUHNIGIKSMSLY-AMGIVPHBSA-N 1 0 453.675 4.519 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001359866301 1064556877 /nfs/dbraw/zinc/55/68/77/1064556877.db2.gz OUXPAZVQJXUFPD-UGKGYDQZSA-N 1 0 490.490 4.549 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001359866460 1064557508 /nfs/dbraw/zinc/55/75/08/1064557508.db2.gz RWTSQVJTTOLHCW-DEOSSOPVSA-N 1 0 475.628 4.989 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359866304 1064557592 /nfs/dbraw/zinc/55/75/92/1064557592.db2.gz OYRMKSBVEGPDTE-MOPGFXCFSA-N 1 0 466.095 4.890 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359866397 1064557626 /nfs/dbraw/zinc/55/76/26/1064557626.db2.gz QLECMTSTLRHRSV-WNCULLNHSA-N 1 0 453.675 4.883 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359866502 1064558101 /nfs/dbraw/zinc/55/81/01/1064558101.db2.gz SQIALRKTAOFJHF-XUZZJYLKSA-N 1 0 457.638 4.562 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359868139 1064559531 /nfs/dbraw/zinc/55/95/31/1064559531.db2.gz IARZVPZQAZTPRC-HFMPRLQTSA-N 1 0 471.665 4.950 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccco3)C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359869192 1064561706 /nfs/dbraw/zinc/56/17/06/1064561706.db2.gz UFYXMNDQZAURHE-URXFXBBRSA-N 1 0 451.615 4.558 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCCCC[NH+]1CCCC1 ZINC001359875894 1064565831 /nfs/dbraw/zinc/56/58/31/1064565831.db2.gz QCJBXSNRZVXRNB-GOTSBHOMSA-N 1 0 488.721 4.578 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001359879079 1064570723 /nfs/dbraw/zinc/57/07/23/1064570723.db2.gz OYKKQSJDLNPTJW-XFAFFCHDSA-N 1 0 475.722 4.559 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001359881460 1064575461 /nfs/dbraw/zinc/57/54/61/1064575461.db2.gz PVTQHPVOIVMTKP-AUSIDOKSSA-N 1 0 478.056 4.967 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001359881461 1064575578 /nfs/dbraw/zinc/57/55/78/1064575578.db2.gz PVTQHPVOIVMTKP-CVDCTZTESA-N 1 0 478.056 4.967 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001435188765 1064577647 /nfs/dbraw/zinc/57/76/47/1064577647.db2.gz NUMPJVLWQXLZOM-AHWVRZQESA-N 1 0 457.574 4.612 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001435188701 1064577791 /nfs/dbraw/zinc/57/77/91/1064577791.db2.gz NSRHEIXFXFXQKW-QGZVFWFLSA-N 1 0 453.892 4.777 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)C1 ZINC001359885440 1064580199 /nfs/dbraw/zinc/58/01/99/1064580199.db2.gz ARYKEOLDQAUZKP-LJQANCHMSA-N 1 0 478.479 4.832 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001359886437 1064582026 /nfs/dbraw/zinc/58/20/26/1064582026.db2.gz LXWLZAHUZKAFDT-FGZHOGPDSA-N 1 0 486.730 4.510 20 0 JJADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cc3c(cccc3F)s2)CC1 ZINC001435193645 1064582605 /nfs/dbraw/zinc/58/26/05/1064582605.db2.gz WWJVTFGXUVKEPE-UHFFFAOYSA-N 1 0 451.489 4.741 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001435196092 1064584028 /nfs/dbraw/zinc/58/40/28/1064584028.db2.gz QSAPHVAGYMHAQF-HSZRJFAPSA-N 1 0 455.549 4.582 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001359889328 1064587461 /nfs/dbraw/zinc/58/74/61/1064587461.db2.gz ALGAJOQIFPMUQG-RUZDIDTESA-N 1 0 475.081 4.635 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)COc2ccccc2OCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001435204606 1064590686 /nfs/dbraw/zinc/59/06/86/1064590686.db2.gz RLXFHCGCAFNEJJ-AZUAARDMSA-N 1 0 450.501 4.518 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)COc2ccccc2OCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001435204607 1064590984 /nfs/dbraw/zinc/59/09/84/1064590984.db2.gz RLXFHCGCAFNEJJ-ICSRJNTNSA-N 1 0 450.501 4.518 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359891315 1064591652 /nfs/dbraw/zinc/59/16/52/1064591652.db2.gz ZHOZKSPWPXHJDF-QFIPXVFZSA-N 1 0 498.535 4.877 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359891462 1064592191 /nfs/dbraw/zinc/59/21/91/1064592191.db2.gz RNIYJGCJOKRAAM-MHZLTWQESA-N 1 0 466.674 4.591 20 0 JJADRO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)n1C ZINC001435208798 1064593118 /nfs/dbraw/zinc/59/31/18/1064593118.db2.gz RXDYTLDNMRMEMZ-UHFFFAOYSA-N 1 0 457.372 4.989 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359891676 1064593245 /nfs/dbraw/zinc/59/32/45/1064593245.db2.gz VYDMRSMGINVMBG-JXQFQVJHSA-N 1 0 490.490 4.568 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(F)cc3C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545889618 1064604547 /nfs/dbraw/zinc/60/45/47/1064604547.db2.gz BYEPQLZOKQQXSB-OYRHEFFESA-N 1 0 498.691 4.656 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(N2CC[NH+](CC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001359900181 1064608434 /nfs/dbraw/zinc/60/84/34/1064608434.db2.gz VPNINMPIUAHYNA-MHZLTWQESA-N 1 0 467.702 4.713 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(N2CC[NH+](CC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001359900178 1064608507 /nfs/dbraw/zinc/60/85/07/1064608507.db2.gz VPNINMPIUAHYNA-HHHXNRCGSA-N 1 0 467.702 4.713 20 0 JJADRO CC(C)C[C@@H](C)Oc1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccn1 ZINC001435232962 1064612915 /nfs/dbraw/zinc/61/29/15/1064612915.db2.gz JVKLBGYIKYNQEP-AGILITTLSA-N 1 0 478.662 4.884 20 0 JJADRO CC(C)C[C@H](C)Oc1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccn1 ZINC001435232963 1064613117 /nfs/dbraw/zinc/61/31/17/1064613117.db2.gz JVKLBGYIKYNQEP-TUACAJSNSA-N 1 0 478.662 4.884 20 0 JJADRO CC(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001359903035 1064617443 /nfs/dbraw/zinc/61/74/43/1064617443.db2.gz YMDCVRPYLFOMCN-SFTDATJTSA-N 1 0 476.065 4.666 20 0 JJADRO COc1ccc(-c2ncc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)c(F)c3)s2)cc1 ZINC001359906410 1064621521 /nfs/dbraw/zinc/62/15/21/1064621521.db2.gz BZBYADPCTYBIAR-UHFFFAOYSA-N 1 0 454.571 4.741 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3csc(Cc4cccc(F)c4)n3)cc2F)CC1 ZINC001359906765 1064622465 /nfs/dbraw/zinc/62/24/65/1064622465.db2.gz IKMLOHMSQNUIBO-UHFFFAOYSA-N 1 0 456.562 4.795 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)[C@H](C)C1 ZINC001435249709 1064626560 /nfs/dbraw/zinc/62/65/60/1064626560.db2.gz XVTFTPCPHZPQSH-IIBYNOLFSA-N 1 0 458.400 4.504 20 0 JJADRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OCc1ccc(Cl)cc1Cl ZINC001435253052 1064629341 /nfs/dbraw/zinc/62/93/41/1064629341.db2.gz ACSDUQZLCXIEPQ-QRWLVFNGSA-N 1 0 451.394 4.993 20 0 JJADRO COc1ccc2onc(CC(=O)N(CCC[NH+](C)C)C(c3ccccc3)c3ccccc3)c2c1 ZINC001359912880 1064632293 /nfs/dbraw/zinc/63/22/93/1064632293.db2.gz BHCPCEVNCHJZKC-UHFFFAOYSA-N 1 0 457.574 4.949 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359914075 1064633005 /nfs/dbraw/zinc/63/30/05/1064633005.db2.gz BLHUPBJXWDADJJ-GOSISDBHSA-N 1 0 465.484 4.886 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001435262172 1064638156 /nfs/dbraw/zinc/63/81/56/1064638156.db2.gz SPLBVIGRMKJFLX-MHECFPHRSA-N 1 0 457.043 4.946 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359918593 1064641739 /nfs/dbraw/zinc/64/17/39/1064641739.db2.gz KZXVYVLNUWHKJT-ZJSXRUAMSA-N 1 0 455.647 4.641 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359918488 1064641819 /nfs/dbraw/zinc/64/18/19/1064641819.db2.gz IWWSXXSHUYGFSX-XZOQPEGZSA-N 1 0 490.737 4.995 20 0 JJADRO C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)Oc1cccc(Cl)c1 ZINC001435283458 1064660937 /nfs/dbraw/zinc/66/09/37/1064660937.db2.gz WMJBLDCODLUWIC-MTNREXPMSA-N 1 0 456.011 4.596 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCCOc1ccc(Br)cc1 ZINC001435305083 1064679387 /nfs/dbraw/zinc/67/93/87/1064679387.db2.gz QXEMYKNEHIYXNU-OAQYLSRUSA-N 1 0 459.428 4.979 20 0 JJADRO CC(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001359940196 1064684188 /nfs/dbraw/zinc/68/41/88/1064684188.db2.gz HQHZYEWUKNBZCU-UHFFFAOYSA-N 1 0 474.694 4.503 20 0 JJADRO CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001359944241 1064689891 /nfs/dbraw/zinc/68/98/91/1064689891.db2.gz QGTJLQMUANPUDD-UHFFFAOYSA-N 1 0 471.690 4.748 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2nccs2)CC1 ZINC001359947591 1064697261 /nfs/dbraw/zinc/69/72/61/1064697261.db2.gz BKOBUMPVMZPSBY-UHFFFAOYSA-N 1 0 488.652 4.998 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3cccnc3)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001359947886 1064698787 /nfs/dbraw/zinc/69/87/87/1064698787.db2.gz FXJKGEUKGPQGDI-QHCPKHFHSA-N 1 0 450.675 4.815 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCC[C@@H](Oc3ncccc3F)C2)CC1 ZINC001359947857 1064698813 /nfs/dbraw/zinc/69/88/13/1064698813.db2.gz QADCWARLJPQVQH-JOCHJYFZSA-N 1 0 472.653 4.742 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001359948526 1064700289 /nfs/dbraw/zinc/70/02/89/1064700289.db2.gz NEHUGONLVPCCJY-QFIPXVFZSA-N 1 0 475.678 4.696 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC(c3cnn(C)c3)CC2)CC1 ZINC001359948734 1064700653 /nfs/dbraw/zinc/70/06/53/1064700653.db2.gz PRDNKNYUEMCOCT-UHFFFAOYSA-N 1 0 469.722 4.742 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001359949064 1064701535 /nfs/dbraw/zinc/70/15/35/1064701535.db2.gz WCOVHUOZTMZKIX-VWLOTQADSA-N 1 0 482.717 4.806 20 0 JJADRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435336665 1064707420 /nfs/dbraw/zinc/70/74/20/1064707420.db2.gz BLRKBNUKUJSSPL-UZUQRXQVSA-N 1 0 456.512 4.840 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001359951212 1064708848 /nfs/dbraw/zinc/70/88/48/1064708848.db2.gz UFYRTSJNDCPCSE-JOCHJYFZSA-N 1 0 455.672 4.574 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCCCO2)cc1 ZINC001359951743 1064710610 /nfs/dbraw/zinc/71/06/10/1064710610.db2.gz DWCORLQJEVLFPD-RUZDIDTESA-N 1 0 469.674 4.906 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCCCO2)cc1 ZINC001359951744 1064710802 /nfs/dbraw/zinc/71/08/02/1064710802.db2.gz DWCORLQJEVLFPD-VWLOTQADSA-N 1 0 469.674 4.906 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001359952091 1064713244 /nfs/dbraw/zinc/71/32/44/1064713244.db2.gz MRGXUNBOLUWTGV-RDGATRHJSA-N 1 0 469.674 4.716 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCC(=O)N(C)C)cc1 ZINC001359952459 1064715884 /nfs/dbraw/zinc/71/58/84/1064715884.db2.gz WMOMMAOOVMTCMX-UHFFFAOYSA-N 1 0 498.716 4.549 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(Nc3cnn(C)c3)n2CC[NH+]2CCCCCC2)cc1 ZINC001359954419 1064719935 /nfs/dbraw/zinc/71/99/35/1064719935.db2.gz JNVMUNQPGPMDQX-UHFFFAOYSA-N 1 0 451.619 4.723 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359954739 1064721131 /nfs/dbraw/zinc/72/11/31/1064721131.db2.gz OMJAVRHLYPCRAH-UHFFFAOYSA-N 1 0 454.663 4.636 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001359954853 1064722055 /nfs/dbraw/zinc/72/20/55/1064722055.db2.gz MBCJDHVJXYSGBK-LVCYWYKZSA-N 1 0 467.580 4.955 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CCOC[C@H]2C)cc1 ZINC001359955116 1064723272 /nfs/dbraw/zinc/72/32/72/1064723272.db2.gz QKUBDKKIVMHUAZ-ISKFKSNPSA-N 1 0 469.674 4.573 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@]2(C)CCCO2)cc1 ZINC001359955235 1064723866 /nfs/dbraw/zinc/72/38/66/1064723866.db2.gz SDTPPTBVUSGKFQ-MHZLTWQESA-N 1 0 469.674 4.860 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCCOC2)cc1 ZINC001359955279 1064724491 /nfs/dbraw/zinc/72/44/91/1064724491.db2.gz SOXKLPWWPHKXOS-JOCHJYFZSA-N 1 0 469.674 4.717 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)nc1 ZINC001359957501 1064725727 /nfs/dbraw/zinc/72/57/27/1064725727.db2.gz VGQUWSVKBAIUDR-HXUWFJFHSA-N 1 0 458.990 4.867 20 0 JJADRO CCc1nc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001435366330 1064726141 /nfs/dbraw/zinc/72/61/41/1064726141.db2.gz RQTZSEOJMUUTDD-UHFFFAOYSA-N 1 0 450.414 4.663 20 0 JJADRO CC(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001359965367 1064740932 /nfs/dbraw/zinc/74/09/32/1064740932.db2.gz ZBAZQUVXHOCEQN-HXUWFJFHSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359966979 1064742176 /nfs/dbraw/zinc/74/21/76/1064742176.db2.gz IPCREKWZPSMGAF-HJOGWXRNSA-N 1 0 461.695 4.673 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359970730 1064746538 /nfs/dbraw/zinc/74/65/38/1064746538.db2.gz BTAJRLZUTCBWRO-QZTJIDSGSA-N 1 0 465.484 4.506 20 0 JJADRO C[C@@H](CCNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC001435421705 1064750036 /nfs/dbraw/zinc/75/00/36/1064750036.db2.gz GAAQEGFQBKYJRK-AWEZNQCLSA-N 1 0 459.306 4.988 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)s2)cc1OC ZINC001435422961 1064750334 /nfs/dbraw/zinc/75/03/34/1064750334.db2.gz MDVTZIGJVVNLKI-QGZVFWFLSA-N 1 0 453.608 4.776 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359973479 1064750824 /nfs/dbraw/zinc/75/08/24/1064750824.db2.gz UIJLUHADMMXGMW-BGYRXZFFSA-N 1 0 459.704 4.867 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359976397 1064753044 /nfs/dbraw/zinc/75/30/44/1064753044.db2.gz PWSPKERDAWOBLD-GOTSBHOMSA-N 1 0 463.674 4.981 20 0 JJADRO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCCC1 ZINC001359982361 1064756923 /nfs/dbraw/zinc/75/69/23/1064756923.db2.gz APWQGFVCLLSLHX-ZRZAMGCNSA-N 1 0 472.722 4.677 20 0 JJADRO CC(C)CN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1([NH+](C)C)CCSC1)C(C)C ZINC001359982590 1064758339 /nfs/dbraw/zinc/75/83/39/1064758339.db2.gz CLQQOSPIFPVEFL-NTKDMRAZSA-N 1 0 463.667 4.865 20 0 JJADRO CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001359983700 1064760906 /nfs/dbraw/zinc/76/09/06/1064760906.db2.gz WKUDUBOBNCYCRG-NOTUOJBMSA-N 1 0 477.738 4.946 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc(Br)cc2)n1CCCC[NH+]1CCOCC1)C(C)C ZINC001359986039 1064765922 /nfs/dbraw/zinc/76/59/22/1064765922.db2.gz WGOJNDDIJSHIGX-UHFFFAOYSA-N 1 0 478.479 4.691 20 0 JJADRO CC(C)CN(c1nnc(-c2ccccn2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC001359986158 1064766452 /nfs/dbraw/zinc/76/64/52/1064766452.db2.gz ASSSDZNVJBHHDI-NHCUHLMSSA-N 1 0 454.663 4.633 20 0 JJADRO CC(C)CN(c1nnc(-c2ccccn2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC001359986159 1064766464 /nfs/dbraw/zinc/76/64/64/1064766464.db2.gz ASSSDZNVJBHHDI-OYRHEFFESA-N 1 0 454.663 4.633 20 0 JJADRO CC(C)CN(c1nnc(-c2ccccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC001359986488 1064767542 /nfs/dbraw/zinc/76/75/42/1064767542.db2.gz NRWKFDHYKAJUEU-UHFFFAOYSA-N 1 0 456.654 4.515 20 0 JJADRO CC(C)CN(c1nnc(-c2c[nH]c3ccccc23)n1CCC[N@@H+]1CCCO[C@@H](C)C1)C(C)C ZINC001359987155 1064768243 /nfs/dbraw/zinc/76/82/43/1064768243.db2.gz MAYKOLIGKGFOSZ-NRFANRHFSA-N 1 0 452.647 4.798 20 0 JJADRO CC(C)CN(c1nnc(-c2noc3c2COCC3)n1CCCC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC001359987704 1064768632 /nfs/dbraw/zinc/76/86/32/1064768632.db2.gz UIHOPAYTDWNQGL-HXUWFJFHSA-N 1 0 458.651 4.531 20 0 JJADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)COc1ccccc1OCc1ccccc1 ZINC001435458962 1064769030 /nfs/dbraw/zinc/76/90/30/1064769030.db2.gz HPOOIUQCYFOMSO-GOTSBHOMSA-N 1 0 458.602 4.917 20 0 JJADRO CC(C)CN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1)C1CCCC1 ZINC001359989852 1064771587 /nfs/dbraw/zinc/77/15/87/1064771587.db2.gz QIBUSTXISSLDAM-QFIPXVFZSA-N 1 0 488.721 4.893 20 0 JJADRO CC(C)CN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C)C(C)C ZINC001359990289 1064772009 /nfs/dbraw/zinc/77/20/09/1064772009.db2.gz VZRWTKUQYHIWFY-QHCPKHFHSA-N 1 0 496.729 4.687 20 0 JJADRO CC(C)CN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CC1(C)C)C(C)C ZINC001359991890 1064773948 /nfs/dbraw/zinc/77/39/48/1064773948.db2.gz IZRUXUKGTOBCRH-QHCPKHFHSA-N 1 0 452.691 4.560 20 0 JJADRO CC(C)CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+]2CCCC2)CCOCC1)C(C)C ZINC001359992850 1064775500 /nfs/dbraw/zinc/77/55/00/1064775500.db2.gz GVAWRHSZFRWSAK-DHIUTWEWSA-N 1 0 475.722 4.713 20 0 JJADRO CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC001359993108 1064776031 /nfs/dbraw/zinc/77/60/31/1064776031.db2.gz NRMKLHIRXSHJGE-OAQYLSRUSA-N 1 0 494.709 4.587 20 0 JJADRO COC(=O)[C@@H]1CCC[C@@H](C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)C1 ZINC001435473644 1064778523 /nfs/dbraw/zinc/77/85/23/1064778523.db2.gz ZETMLHXBAQVDRC-OPYAIIAOSA-N 1 0 457.442 4.888 20 0 JJADRO CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001359995268 1064780247 /nfs/dbraw/zinc/78/02/47/1064780247.db2.gz GCLXDSDHFCVWSS-UHFFFAOYSA-N 1 0 450.400 4.567 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC001545891242 1064780565 /nfs/dbraw/zinc/78/05/65/1064780565.db2.gz VUNRDVYYCXDQDN-JOCHJYFZSA-N 1 0 456.011 4.968 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC001545891243 1064780651 /nfs/dbraw/zinc/78/06/51/1064780651.db2.gz VUNRDVYYCXDQDN-QFIPXVFZSA-N 1 0 456.011 4.968 20 0 JJADRO 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4.771 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001360008565 1064798117 /nfs/dbraw/zinc/79/81/17/1064798117.db2.gz TWNZHEGRMSNKMW-JOCHJYFZSA-N 1 0 482.717 4.571 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@H](C)C2)C1 ZINC001360009901 1064799489 /nfs/dbraw/zinc/79/94/89/1064799489.db2.gz HIKCWYDPEACOMG-UXHICEINSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccnc3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001360009865 1064799545 /nfs/dbraw/zinc/79/95/45/1064799545.db2.gz GUMLHSOXXZVFOY-HXUWFJFHSA-N 1 0 464.580 4.877 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccccc2Cl)C1 ZINC001360009740 1064800026 /nfs/dbraw/zinc/80/00/26/1064800026.db2.gz DUPLQAGFWMDANL-OAQYLSRUSA-N 1 0 467.061 4.922 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001360010367 1064801517 /nfs/dbraw/zinc/80/15/17/1064801517.db2.gz OXPQAPQFNIPMQV-FDFHNCONSA-N 1 0 490.737 4.584 20 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RHNBBSBPFHLFDX-GGAORHGYSA-N 1 0 462.642 4.721 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001360063893 1064904577 /nfs/dbraw/zinc/90/45/77/1064904577.db2.gz SVCSWJCBVMPGBV-NRFANRHFSA-N 1 0 475.628 4.663 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001360065387 1064906988 /nfs/dbraw/zinc/90/69/88/1064906988.db2.gz CXQKTYGHDIJPFI-XUZZJYLKSA-N 1 0 490.092 4.882 20 0 JJADRO CC(C)COCCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001360065632 1064907160 /nfs/dbraw/zinc/90/71/60/1064907160.db2.gz ATSBNOOALRQRGD-UHFFFAOYSA-N 1 0 484.508 4.610 20 0 JJADRO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001435658468 1064913607 /nfs/dbraw/zinc/91/36/07/1064913607.db2.gz ZKQDYOKZIWFACQ-FEWCVYDTSA-N 1 0 457.412 4.633 20 0 JJADRO CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)c1 ZINC001435672324 1064925163 /nfs/dbraw/zinc/92/51/63/1064925163.db2.gz FMQUFLFWKAOEAZ-HSZRJFAPSA-N 1 0 458.624 4.512 20 0 JJADRO CCC[C@H]1CN(C(=O)COc2ccccc2OCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001435672560 1064925996 /nfs/dbraw/zinc/92/59/96/1064925996.db2.gz HVYDFTRGAQEKJF-FQEVSTJZSA-N 1 0 450.501 4.520 20 0 JJADRO CC(C)CSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001360080096 1064936569 /nfs/dbraw/zinc/93/65/69/1064936569.db2.gz AFMHOPFGMCGKRS-PMACEKPBSA-N 1 0 461.651 4.621 20 0 JJADRO CC(C)CSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001360080099 1064936620 /nfs/dbraw/zinc/93/66/20/1064936620.db2.gz AFMHOPFGMCGKRS-WOJBJXKFSA-N 1 0 461.651 4.621 20 0 JJADRO CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360083054 1064944675 /nfs/dbraw/zinc/94/46/75/1064944675.db2.gz VMVSQVNBVQCGRT-JOCHJYFZSA-N 1 0 452.672 4.763 20 0 JJADRO CC(C)CSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360083623 1064945900 /nfs/dbraw/zinc/94/59/00/1064945900.db2.gz MWZYTUJHQSXOAF-NRFANRHFSA-N 1 0 473.735 4.549 20 0 JJADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1cccc(C(F)(F)F)c1 ZINC001435701466 1064946816 /nfs/dbraw/zinc/94/68/16/1064946816.db2.gz QLDOESZRRSFVBR-NRFANRHFSA-N 1 0 451.464 4.713 20 0 JJADRO C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435702226 1064947062 /nfs/dbraw/zinc/94/70/62/1064947062.db2.gz IYPUBNNCAIECOL-LPHOPBHVSA-N 1 0 456.999 4.509 20 0 JJADRO CC(C)CSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001360087143 1064951535 /nfs/dbraw/zinc/95/15/35/1064951535.db2.gz MQYAFZFFBIAOQB-DHIUTWEWSA-N 1 0 470.731 4.744 20 0 JJADRO O=C(COCCc1ccc(Br)cc1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001360087742 1064953218 /nfs/dbraw/zinc/95/32/18/1064953218.db2.gz PINWQXVFIGJFGM-UHFFFAOYSA-N 1 0 459.428 4.701 20 0 JJADRO CC(C)CSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360087764 1064953243 /nfs/dbraw/zinc/95/32/43/1064953243.db2.gz YMWAMDUWVVKCNR-UHFFFAOYSA-N 1 0 468.715 4.981 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)/C=C/c3cnc(C(C)(C)C)s3)cc2)C[C@H]1C ZINC001435723554 1064956423 /nfs/dbraw/zinc/95/64/23/1064956423.db2.gz JTYHUWZSTGTSGG-ANMDKAQQSA-N 1 0 455.668 4.779 20 0 JJADRO CC(C)N(C)C(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001360091881 1064959876 /nfs/dbraw/zinc/95/98/76/1064959876.db2.gz KBXWYMQNEUSOTO-UHFFFAOYSA-N 1 0 474.738 4.606 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCCCO)CC1 ZINC001360092506 1064961513 /nfs/dbraw/zinc/96/15/13/1064961513.db2.gz IAYGHLNUYBTKDR-UHFFFAOYSA-N 1 0 496.469 4.566 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360092592 1064962103 /nfs/dbraw/zinc/96/21/03/1064962103.db2.gz LIYLBNMARNSRNY-RCZVLFRGSA-N 1 0 451.659 4.853 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCS2)CC1 ZINC001360092605 1064962820 /nfs/dbraw/zinc/96/28/20/1064962820.db2.gz LYAKGKPOQCZNEQ-OAQYLSRUSA-N 1 0 479.641 4.999 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCS2)CC1 ZINC001360092604 1064963121 /nfs/dbraw/zinc/96/31/21/1064963121.db2.gz LYAKGKPOQCZNEQ-NRFANRHFSA-N 1 0 479.641 4.999 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360092760 1064963821 /nfs/dbraw/zinc/96/38/21/1064963821.db2.gz RURHNHPVUWOZAL-NRFANRHFSA-N 1 0 465.564 4.592 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001360092925 1064964704 /nfs/dbraw/zinc/96/47/04/1064964704.db2.gz XQGRDLSIMVLXHR-XMMPIXPASA-N 1 0 467.683 4.824 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2nccs2)CC1 ZINC001360092965 1064965338 /nfs/dbraw/zinc/96/53/38/1064965338.db2.gz ZERGFCAIAIYPHJ-UHFFFAOYSA-N 1 0 495.741 4.928 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001360094568 1064965799 /nfs/dbraw/zinc/96/57/99/1064965799.db2.gz DWXKXOIPBHECRR-HSZRJFAPSA-N 1 0 474.644 4.683 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2OC(F)F)CC1 ZINC001360094801 1064966748 /nfs/dbraw/zinc/96/67/48/1064966748.db2.gz MENZMNLBGUAKHO-QFIPXVFZSA-N 1 0 477.600 4.726 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001360094789 1064966780 /nfs/dbraw/zinc/96/67/80/1064966780.db2.gz LVNMLSIOKHLGQO-UHFFFAOYSA-N 1 0 490.574 4.971 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360094953 1064967853 /nfs/dbraw/zinc/96/78/53/1064967853.db2.gz QZJDJHGYQMGPHF-HXUWFJFHSA-N 1 0 496.597 4.525 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001360094905 1064967914 /nfs/dbraw/zinc/96/79/14/1064967914.db2.gz PFQHPIIFLLMDQV-UHFFFAOYSA-N 1 0 456.997 4.738 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCCSc2ccccc2)CC1 ZINC001360095687 1064970153 /nfs/dbraw/zinc/97/01/53/1064970153.db2.gz OLRVZPFJSRALKL-HSZRJFAPSA-N 1 0 457.688 4.869 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2(F)CCC2)CC1 ZINC001360095680 1064970177 /nfs/dbraw/zinc/97/01/77/1064970177.db2.gz NWUUAYVLTPJGST-UHFFFAOYSA-N 1 0 463.592 4.986 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001360095651 1064970198 /nfs/dbraw/zinc/97/01/98/1064970198.db2.gz MWACEQPWPDSOBA-UHFFFAOYSA-N 1 0 473.735 4.765 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2CCOC2CCCCCC2)CC1 ZINC001360095704 1064970693 /nfs/dbraw/zinc/97/06/93/1064970693.db2.gz PHNKUBWNLNWVKY-UHFFFAOYSA-N 1 0 468.690 4.560 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001360097329 1064973999 /nfs/dbraw/zinc/97/39/99/1064973999.db2.gz CUNZMNPFZCEKFE-OAQYLSRUSA-N 1 0 490.490 4.569 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(OCc3cscn3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435750533 1064975249 /nfs/dbraw/zinc/97/52/49/1064975249.db2.gz RLRWGAWRVSTVGQ-VGOFRKELSA-N 1 0 459.974 4.937 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3cccnc3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435750866 1064975495 /nfs/dbraw/zinc/97/54/95/1064975495.db2.gz UFCCMEVFOIVTKD-GBXCKJPGSA-N 1 0 453.945 4.876 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001360097959 1064977025 /nfs/dbraw/zinc/97/70/25/1064977025.db2.gz WNMFRCOGNAUGNV-UTKZUKDTSA-N 1 0 466.457 4.988 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001360098261 1064977120 /nfs/dbraw/zinc/97/71/20/1064977120.db2.gz MKSDRJOOCZDPMR-FQEVSTJZSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001360098521 1064978158 /nfs/dbraw/zinc/97/81/58/1064978158.db2.gz WHKPNCGBHQYVLS-JOCHJYFZSA-N 1 0 488.558 4.667 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001360099938 1064979237 /nfs/dbraw/zinc/97/92/37/1064979237.db2.gz DUEGGBHQIFKSIL-OAQYLSRUSA-N 1 0 493.700 4.535 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001360101223 1064980987 /nfs/dbraw/zinc/98/09/87/1064980987.db2.gz ITPSOWOARRWJFP-DHIUTWEWSA-N 1 0 474.093 4.896 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001360101417 1064981662 /nfs/dbraw/zinc/98/16/62/1064981662.db2.gz OHWVLLSBEMUKJN-FQEVSTJZSA-N 1 0 474.074 4.972 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1ccccn1 ZINC001360104139 1064984805 /nfs/dbraw/zinc/98/48/05/1064984805.db2.gz KVPJWIGGUNVHID-UHFFFAOYSA-N 1 0 477.838 4.733 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccc(F)cc1F)C1CC1 ZINC001360104111 1064985013 /nfs/dbraw/zinc/98/50/13/1064985013.db2.gz KEYPGROXUJAWBP-UHFFFAOYSA-N 1 0 493.400 4.823 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N(CC1CC1)C1CCC1 ZINC001360104168 1064985256 /nfs/dbraw/zinc/98/52/56/1064985256.db2.gz LVBMJAMTFNHBPB-UHFFFAOYSA-N 1 0 452.466 4.878 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001360106694 1064987884 /nfs/dbraw/zinc/98/78/84/1064987884.db2.gz NOKYSGRRORCYGA-UHFFFAOYSA-N 1 0 476.456 4.710 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001360106827 1064989047 /nfs/dbraw/zinc/98/90/47/1064989047.db2.gz SPGQFPWDUYTRPX-IBGZPJMESA-N 1 0 495.981 4.996 20 0 JJADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001360109475 1064990859 /nfs/dbraw/zinc/99/08/59/1064990859.db2.gz FYKYVBYFFLJHKF-JOCHJYFZSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001360109840 1064991393 /nfs/dbraw/zinc/99/13/93/1064991393.db2.gz JPPVDCYVELQPKF-FYYLOGMGSA-N 1 0 488.721 4.749 20 0 JJADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001435787894 1064991609 /nfs/dbraw/zinc/99/16/09/1064991609.db2.gz QURSSTXBGYNNKB-INIZCTEOSA-N 1 0 458.400 4.504 20 0 JJADRO CC(C)[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360109857 1064991862 /nfs/dbraw/zinc/99/18/62/1064991862.db2.gz GALHSYHFRMNJRJ-OAQYLSRUSA-N 1 0 469.630 4.509 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CC(F)(F)C1 ZINC001360112452 1064994110 /nfs/dbraw/zinc/99/41/10/1064994110.db2.gz DMCXIUVXRUTWBN-UHFFFAOYSA-N 1 0 463.617 4.976 20 0 JJADRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H](Oc3ccc(Br)cc3)c3ccccc3)C2)CC1 ZINC001435797191 1064995041 /nfs/dbraw/zinc/99/50/41/1064995041.db2.gz LVDAZSGNDNSYQV-REWPJTCUSA-N 1 0 457.412 4.760 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1nccs1 ZINC001360113316 1064995515 /nfs/dbraw/zinc/99/55/15/1064995515.db2.gz WMQLQUFSMFEHHY-UHFFFAOYSA-N 1 0 469.442 4.597 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2ccccc2[C@@H]1C ZINC001360113613 1064995534 /nfs/dbraw/zinc/99/55/34/1064995534.db2.gz ILWBKSQZTHDFPO-ILWGZMRPSA-N 1 0 482.673 4.513 20 0 JJADRO Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)cc1NC(=O)CC[NH+](C)C ZINC001435802234 1064998780 /nfs/dbraw/zinc/99/87/80/1064998780.db2.gz MZBMZXGZOKSDNI-UHFFFAOYSA-N 1 0 452.942 4.559 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360116814 1065002289 /nfs/dbraw/zinc/00/22/89/1065002289.db2.gz RIRAKZJLDLIJLZ-SIKLNZKXSA-N 1 0 457.619 4.701 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001360121900 1065010885 /nfs/dbraw/zinc/01/08/85/1065010885.db2.gz MZJXKZMETWEPSU-QGZVFWFLSA-N 1 0 454.571 4.774 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nccs2)C1)C(C)C ZINC001360123813 1065015395 /nfs/dbraw/zinc/01/53/95/1065015395.db2.gz NZIFISYMKJNSHK-LJQANCHMSA-N 1 0 490.077 4.537 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)C ZINC001360123943 1065015712 /nfs/dbraw/zinc/01/57/12/1065015712.db2.gz QEBILRXMVAFVQR-FQEVSTJZSA-N 1 0 466.596 4.527 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)C(C)C ZINC001360123944 1065015723 /nfs/dbraw/zinc/01/57/23/1065015723.db2.gz QEBILRXMVAFVQR-HXUWFJFHSA-N 1 0 466.596 4.527 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1ncc(Cl)n1C)C(C)C ZINC001360125457 1065018256 /nfs/dbraw/zinc/01/82/56/1065018256.db2.gz KXIBQLUNRGUZSK-UHFFFAOYSA-N 1 0 497.091 4.969 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)C(C)C ZINC001360125804 1065018701 /nfs/dbraw/zinc/01/87/01/1065018701.db2.gz WDZKXICWHCLGHK-DNQXCXABSA-N 1 0 491.627 4.885 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001545893696 1065019363 /nfs/dbraw/zinc/01/93/63/1065019363.db2.gz FVHUBJKHNGEOSY-MJGOQNOKSA-N 1 0 494.656 4.577 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001545893694 1065019419 /nfs/dbraw/zinc/01/94/19/1065019419.db2.gz FVHUBJKHNGEOSY-HKUYNNGSSA-N 1 0 494.656 4.577 20 0 JJADRO CC(C)[NH+](CCCn1c(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)C(C)C ZINC001360126722 1065020806 /nfs/dbraw/zinc/02/08/06/1065020806.db2.gz WQXXNIUJXOOVCD-HXUWFJFHSA-N 1 0 464.699 4.530 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)C(C)C ZINC001360126907 1065021094 /nfs/dbraw/zinc/02/10/94/1065021094.db2.gz YWRURKHWTAAMHK-DEOSSOPVSA-N 1 0 464.633 4.906 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCOC2)C1)C(C)C ZINC001360128116 1065022208 /nfs/dbraw/zinc/02/22/08/1065022208.db2.gz AHYCFJMNKNQRQK-MHZLTWQESA-N 1 0 453.675 4.978 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)C(C)C ZINC001360128256 1065022225 /nfs/dbraw/zinc/02/22/25/1065022225.db2.gz DVKRMZOBYZQFFV-QFIPXVFZSA-N 1 0 460.066 4.849 20 0 JJADRO C[C@@H](NC(=O)Cc1ccc(Br)c(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435852450 1065024330 /nfs/dbraw/zinc/02/43/30/1065024330.db2.gz OUFCTGHCGPNYOA-UKRRQHHQSA-N 1 0 458.238 4.523 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncccc2F)CC1)C(C)C ZINC001360128955 1065024309 /nfs/dbraw/zinc/02/43/09/1065024309.db2.gz PXDUSKZMTDGHEE-UHFFFAOYSA-N 1 0 486.039 4.578 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cnccn1)C(C)C ZINC001360128961 1065024484 /nfs/dbraw/zinc/02/44/84/1065024484.db2.gz PZTNNTBBSAIGSK-UHFFFAOYSA-N 1 0 467.687 4.821 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C(C)C ZINC001360129232 1065024895 /nfs/dbraw/zinc/02/48/95/1065024895.db2.gz ONOBZEUUDWDDPZ-LJQANCHMSA-N 1 0 490.578 4.516 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)C(C)C ZINC001360129397 1065025357 /nfs/dbraw/zinc/02/53/57/1065025357.db2.gz QDJKDFPQGZZCNR-NDEPHWFRSA-N 1 0 493.700 4.891 20 0 JJADRO CCCN(C(=O)c1cccc(NC(=O)OC(C)(C)C)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360130267 1065025787 /nfs/dbraw/zinc/02/57/87/1065025787.db2.gz XCSKXPRKHHIKIE-OAQYLSRUSA-N 1 0 452.599 4.945 20 0 JJADRO Cc1c(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)nnn1-c1cccc(C)c1 ZINC001435854671 1065026022 /nfs/dbraw/zinc/02/60/22/1065026022.db2.gz HEMVCMXORFDOGT-HSZRJFAPSA-N 1 0 453.537 4.508 20 0 JJADRO COc1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)cc1OC(F)F ZINC001435855654 1065026700 /nfs/dbraw/zinc/02/67/00/1065026700.db2.gz MMZGLDOLABMUGQ-FQEVSTJZSA-N 1 0 454.464 4.920 20 0 JJADRO CC(C)([C@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001435855678 1065026905 /nfs/dbraw/zinc/02/69/05/1065026905.db2.gz NAACFUACHCRDJS-HSZRJFAPSA-N 1 0 459.562 4.823 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1Cc2ccc(Br)cc2C1)C(C)C ZINC001360133476 1065028689 /nfs/dbraw/zinc/02/86/89/1065028689.db2.gz SMNPIJXRGQFUGJ-UHFFFAOYSA-N 1 0 483.458 4.665 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)o1)C(C)C ZINC001360133612 1065029212 /nfs/dbraw/zinc/02/92/12/1065029212.db2.gz VXGZAUUYDPAPBK-SFHVURJKSA-N 1 0 468.440 4.630 20 0 JJADRO CC(C)[NH+](CCn1c(CC(C)(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C(C)C ZINC001360133584 1065029243 /nfs/dbraw/zinc/02/92/43/1065029243.db2.gz VHYMZTRYKCQMOX-UHFFFAOYSA-N 1 0 478.726 4.869 20 0 JJADRO CC(C)[NH+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1)C(C)C ZINC001360134017 1065029742 /nfs/dbraw/zinc/02/97/42/1065029742.db2.gz BRXFWXQWUREQGW-DHIUTWEWSA-N 1 0 476.065 4.777 20 0 JJADRO CC(C)[NH+](CCn1c(CCCc2ccccc2)nnc1N1CCSC2(CCOCC2)C1)C(C)C ZINC001360134231 1065030110 /nfs/dbraw/zinc/03/01/10/1065030110.db2.gz IIIPRKJPOSTSGF-UHFFFAOYSA-N 1 0 485.742 4.675 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCN(Cc2cccs2)CC1)C(C)C ZINC001360134198 1065030161 /nfs/dbraw/zinc/03/01/61/1065030161.db2.gz HHFMOMDPLBNGFJ-UHFFFAOYSA-N 1 0 458.720 4.513 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccccc2)C1)C(C)C ZINC001360134934 1065031006 /nfs/dbraw/zinc/03/10/06/1065031006.db2.gz PYTBNYMXEYPYGM-DSNGMDLFSA-N 1 0 483.701 4.893 20 0 JJADRO COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c(OCCC(C)C)c1 ZINC001435864911 1065032083 /nfs/dbraw/zinc/03/20/83/1065032083.db2.gz HFMANNVQIJBEMC-JWQCQUIFSA-N 1 0 459.675 4.529 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)CC(F)(F)F)CC1 ZINC001360136057 1065032221 /nfs/dbraw/zinc/03/22/21/1065032221.db2.gz AGYFHBYETKMRRF-UHFFFAOYSA-N 1 0 485.620 4.509 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001360136680 1065032644 /nfs/dbraw/zinc/03/26/44/1065032644.db2.gz OFHMJZKZPXLIOR-HXUWFJFHSA-N 1 0 457.638 4.583 20 0 JJADRO CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435865433 1065032963 /nfs/dbraw/zinc/03/29/63/1065032963.db2.gz MJDZDYGIRDCFGK-RPBOFIJWSA-N 1 0 455.046 4.811 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc(CC2CCCC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001360137482 1065033063 /nfs/dbraw/zinc/03/30/63/1065033063.db2.gz YADMBSLKWLFTEM-UHFFFAOYSA-N 1 0 471.665 4.800 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(F)(F)F)CC2)CC1 ZINC001360137818 1065033640 /nfs/dbraw/zinc/03/36/40/1065033640.db2.gz ZMHDTMWZRWFKSC-UHFFFAOYSA-N 1 0 492.634 4.800 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCn2cccn2)C1 ZINC001360138291 1065033970 /nfs/dbraw/zinc/03/39/70/1065033970.db2.gz CUQJILLKQWWAOX-SFHVURJKSA-N 1 0 476.456 4.705 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360138293 1065034144 /nfs/dbraw/zinc/03/41/44/1065034144.db2.gz CWHJNTAXFKCGDX-PMACEKPBSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)cc2)C1 ZINC001360138496 1065034363 /nfs/dbraw/zinc/03/43/63/1065034363.db2.gz HCHCFSHVXNZKCP-IBGZPJMESA-N 1 0 471.447 4.793 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C3CCC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001360138801 1065034730 /nfs/dbraw/zinc/03/47/30/1065034730.db2.gz KAELZEAWGZOMAP-OAHLLOKOSA-N 1 0 456.582 4.778 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CCCCCO)C1 ZINC001360138688 1065034777 /nfs/dbraw/zinc/03/47/77/1065034777.db2.gz JHOFZSJEEUCORU-GOSISDBHSA-N 1 0 496.469 4.566 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C3CCC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001360138800 1065034852 /nfs/dbraw/zinc/03/48/52/1065034852.db2.gz KAELZEAWGZOMAP-HNNXBMFYSA-N 1 0 456.582 4.778 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2C(F)(F)F)C1 ZINC001360139046 1065035789 /nfs/dbraw/zinc/03/57/89/1065035789.db2.gz NHCSGWLHRUJVEZ-GOSISDBHSA-N 1 0 473.547 4.511 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCC(OC(C)(C)C)CC2)C1 ZINC001360140256 1065037098 /nfs/dbraw/zinc/03/70/98/1065037098.db2.gz AXBGFJKHEPYZPA-NRFANRHFSA-N 1 0 487.664 4.901 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCC2(C)C)C1 ZINC001360140604 1065038316 /nfs/dbraw/zinc/03/83/16/1065038316.db2.gz HIYIBWNCYZXVGF-NJYVYQBISA-N 1 0 474.694 4.548 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001360141082 1065039582 /nfs/dbraw/zinc/03/95/82/1065039582.db2.gz MAYDFRHWEPOKRR-IDISGSTGSA-N 1 0 471.665 4.770 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCCc2ccccc2)C1 ZINC001360141637 1065040852 /nfs/dbraw/zinc/04/08/52/1065040852.db2.gz QYBJIYVWSUGGIR-LOSJGSFVSA-N 1 0 453.675 4.752 20 0 JJADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc1 ZINC001435880378 1065040882 /nfs/dbraw/zinc/04/08/82/1065040882.db2.gz KSFSGUGZTBDSDV-JOCHJYFZSA-N 1 0 450.608 4.979 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)C1 ZINC001360142230 1065041800 /nfs/dbraw/zinc/04/18/00/1065041800.db2.gz VOTWSVOOPZPGPK-AJTFRIOCSA-N 1 0 488.120 4.824 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001360143257 1065043185 /nfs/dbraw/zinc/04/31/85/1065043185.db2.gz CJHVBVHVMRWUIV-SFHVURJKSA-N 1 0 452.981 4.740 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccccc2Cl)CC1 ZINC001360143885 1065044619 /nfs/dbraw/zinc/04/46/19/1065044619.db2.gz OVPGIKWTRXZNHS-UHFFFAOYSA-N 1 0 475.424 4.646 20 0 JJADRO O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001435888827 1065046107 /nfs/dbraw/zinc/04/61/07/1065046107.db2.gz FYMMTYSKGGMBJZ-TTYLXTBDSA-N 1 0 452.904 4.693 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCSC2)CC1 ZINC001360144299 1065046025 /nfs/dbraw/zinc/04/60/25/1065046025.db2.gz YUARWAJUCLXVKN-INIZCTEOSA-N 1 0 482.467 4.520 20 0 JJADRO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)c1 ZINC001435890016 1065047128 /nfs/dbraw/zinc/04/71/28/1065047128.db2.gz RHQAYVFXDXYBSN-QGZVFWFLSA-N 1 0 458.027 4.968 20 0 JJADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)c1 ZINC001435891044 1065048057 /nfs/dbraw/zinc/04/80/57/1065048057.db2.gz WTKWPNDPRAVWTH-UHFFFAOYSA-N 1 0 458.562 4.719 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001360146675 1065048549 /nfs/dbraw/zinc/04/85/49/1065048549.db2.gz SIIJISVSHSPJQO-UHFFFAOYSA-N 1 0 494.512 4.530 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(Cl)nc2)CC1 ZINC001360146764 1065048636 /nfs/dbraw/zinc/04/86/36/1065048636.db2.gz VZUJGMPWEAGBBM-UHFFFAOYSA-N 1 0 459.425 4.540 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001360147163 1065049235 /nfs/dbraw/zinc/04/92/35/1065049235.db2.gz KFUMYFROALLYAU-NRFANRHFSA-N 1 0 478.106 4.959 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2OCC(F)(F)F)CC1 ZINC001360147124 1065049516 /nfs/dbraw/zinc/04/95/16/1065049516.db2.gz IZZWZCMGGRPKDX-UHFFFAOYSA-N 1 0 493.599 4.840 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCc2ccncc2)CC1 ZINC001360147292 1065049940 /nfs/dbraw/zinc/04/99/40/1065049940.db2.gz PEOOHJQPLANAKT-UHFFFAOYSA-N 1 0 489.451 4.722 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2=CCCCC2)CC1 ZINC001360147482 1065050158 /nfs/dbraw/zinc/05/01/58/1065050158.db2.gz XXNHMURQLPBJFH-ZRZAMGCNSA-N 1 0 486.705 4.860 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCSC(F)(F)F)CC1 ZINC001360149189 1065052536 /nfs/dbraw/zinc/05/25/36/1065052536.db2.gz FHGDERBTECAHET-UHFFFAOYSA-N 1 0 496.372 4.630 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001545894056 1065054569 /nfs/dbraw/zinc/05/45/69/1065054569.db2.gz NKRCCMNHTMCAQP-DEOSSOPVSA-N 1 0 496.700 4.669 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001360153075 1065056175 /nfs/dbraw/zinc/05/61/75/1065056175.db2.gz DWDCKLYBICBDQK-MHZLTWQESA-N 1 0 497.709 4.654 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360153285 1065056509 /nfs/dbraw/zinc/05/65/09/1065056509.db2.gz NKVYACYWWGOXDV-UHFFFAOYSA-N 1 0 453.675 4.578 20 0 JJADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCCC(F)(F)C3)C2)CC1 ZINC001360156012 1065057312 /nfs/dbraw/zinc/05/73/12/1065057312.db2.gz NJWGRXMHAMKGQE-VXKWHMMOSA-N 1 0 480.692 4.687 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)c3cccc(F)c3)CC2)CC1 ZINC001360155597 1065057396 /nfs/dbraw/zinc/05/73/96/1065057396.db2.gz BNYJWXBFZNSZDK-UHFFFAOYSA-N 1 0 498.735 4.978 20 0 JJADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)cc1 ZINC001360157256 1065058799 /nfs/dbraw/zinc/05/87/99/1065058799.db2.gz HKSRBNWPGMMTRO-UHFFFAOYSA-N 1 0 459.512 4.591 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001545894314 1065071164 /nfs/dbraw/zinc/07/11/64/1065071164.db2.gz UFUHSIZEJGSHMB-FQEVSTJZSA-N 1 0 472.703 4.722 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CCCC1CCCC1 ZINC001360203939 1065079778 /nfs/dbraw/zinc/07/97/78/1065079778.db2.gz VURZTEGBHPSODX-JOCHJYFZSA-N 1 0 472.722 4.868 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001545894476 1065081553 /nfs/dbraw/zinc/08/15/53/1065081553.db2.gz XIOCGDCHJUILEV-UPVQGACJSA-N 1 0 468.690 4.680 20 0 JJADRO C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)C1 ZINC001360216126 1065084303 /nfs/dbraw/zinc/08/43/03/1065084303.db2.gz BDFWCVUMDREVGT-GBXCKJPGSA-N 1 0 458.647 4.997 20 0 JJADRO Cc1ccnc(Oc2ccc(C(=O)Nc3ccc(NC(=O)NC4CC[NH+](C)CC4)cc3)cc2)c1 ZINC001360216799 1065084852 /nfs/dbraw/zinc/08/48/52/1065084852.db2.gz OAIHGIARCIBPAK-UHFFFAOYSA-N 1 0 459.550 4.650 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(I)cn2)c1 ZINC001360220780 1065086105 /nfs/dbraw/zinc/08/61/05/1065086105.db2.gz TVNHIRCYHNGPTJ-UHFFFAOYSA-N 1 0 457.315 4.571 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C1CC(C(C)(C)C)C1 ZINC001360221528 1065086555 /nfs/dbraw/zinc/08/65/55/1065086555.db2.gz AOZXQSRPGFGQON-ITAUSPCMSA-N 1 0 458.695 4.506 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360222258 1065087168 /nfs/dbraw/zinc/08/71/68/1065087168.db2.gz NFYQIJXOVGIMLA-VXKWHMMOSA-N 1 0 498.691 4.624 20 0 JJADRO CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)c2)CC1 ZINC001435975775 1065088640 /nfs/dbraw/zinc/08/86/40/1065088640.db2.gz MEKZCJFKVXOQSA-XZOQPEGZSA-N 1 0 458.647 4.631 20 0 JJADRO CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001360243135 1065096189 /nfs/dbraw/zinc/09/61/89/1065096189.db2.gz UTYMVTUVCMDSBM-UHFFFAOYSA-N 1 0 457.640 4.763 20 0 JJADRO COc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1-c1ccccn1 ZINC001360247797 1065097606 /nfs/dbraw/zinc/09/76/06/1065097606.db2.gz BTICOQSFRYUKEZ-UHFFFAOYSA-N 1 0 458.562 4.824 20 0 JJADRO Cc1c(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435995072 1065099043 /nfs/dbraw/zinc/09/90/43/1065099043.db2.gz GVHYLAURFFLJFD-HSZRJFAPSA-N 1 0 456.512 4.840 20 0 JJADRO CC(C)N1C(=O)C[C@H](C(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001360284848 1065124221 /nfs/dbraw/zinc/12/42/21/1065124221.db2.gz NFMMPUIPGFUKFC-WMZHIEFXSA-N 1 0 452.014 4.550 20 0 JJADRO C[NH+](C)CCn1ncc(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c1-c1ccccc1 ZINC001360299265 1065132269 /nfs/dbraw/zinc/13/22/69/1065132269.db2.gz FVHHNKAFDYSORI-UHFFFAOYSA-N 1 0 451.014 4.860 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(C(C)C)n2CCc2cc(Br)ccc2F)CC1 ZINC001360304280 1065137178 /nfs/dbraw/zinc/13/71/78/1065137178.db2.gz HZMOZNDAYJCVHO-UHFFFAOYSA-N 1 0 452.416 4.513 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCS2)CC1 ZINC001360304569 1065137882 /nfs/dbraw/zinc/13/78/82/1065137882.db2.gz BRKFRTQMDRQDFU-HNNXBMFYSA-N 1 0 470.506 4.632 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(C)CCCS2)CC1 ZINC001360304741 1065138629 /nfs/dbraw/zinc/13/86/29/1065138629.db2.gz DEMPTLXPQUNVBK-QFIPXVFZSA-N 1 0 478.504 4.960 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001360305077 1065139376 /nfs/dbraw/zinc/13/93/76/1065139376.db2.gz ILABDJLWOKDUSA-QZTJIDSGSA-N 1 0 477.600 4.717 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360305390 1065139875 /nfs/dbraw/zinc/13/98/75/1065139875.db2.gz OPVRMVIMPUKXPW-MRXNPFEDSA-N 1 0 499.448 4.838 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(Cl)c2)CC1 ZINC001360305482 1065140610 /nfs/dbraw/zinc/14/06/10/1065140610.db2.gz RTDVWZMOYGUBAL-UHFFFAOYSA-N 1 0 491.865 4.715 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3F)n2Cc2sccc2Br)CC1 ZINC001360306539 1065142049 /nfs/dbraw/zinc/14/20/49/1065142049.db2.gz GBSYXBOZKJLZDX-UHFFFAOYSA-N 1 0 478.435 4.923 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360307507 1065143182 /nfs/dbraw/zinc/14/31/82/1065143182.db2.gz XWGYCGCAMBAEQP-WMZHIEFXSA-N 1 0 457.638 4.892 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2ccccc2F)CC1 ZINC001360309309 1065145103 /nfs/dbraw/zinc/14/51/03/1065145103.db2.gz BBXVFXZKMPVSLW-ISKFKSNPSA-N 1 0 471.665 4.935 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001360309376 1065145243 /nfs/dbraw/zinc/14/52/43/1065145243.db2.gz CKKQUFQFFKYTLM-UHFFFAOYSA-N 1 0 493.599 4.887 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001360309380 1065145313 /nfs/dbraw/zinc/14/53/13/1065145313.db2.gz CKZKBJASPNLDRD-SFHVURJKSA-N 1 0 457.619 4.504 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CC3CC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360309579 1065145972 /nfs/dbraw/zinc/14/59/72/1065145972.db2.gz HIWFXMWOFNRFMI-NRFANRHFSA-N 1 0 453.528 4.819 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001360309938 1065146317 /nfs/dbraw/zinc/14/63/17/1065146317.db2.gz SKIRDBPCBVSLJP-RTBURBONSA-N 1 0 476.065 4.681 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001360309866 1065146427 /nfs/dbraw/zinc/14/64/27/1065146427.db2.gz PVSBBDXUZVRDGF-UUOWRZLLSA-N 1 0 478.106 4.742 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C3CCCCC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCOC1 ZINC001360320871 1065157969 /nfs/dbraw/zinc/15/79/69/1065157969.db2.gz GZCILCYOSYUBEK-BKMJKUGQSA-N 1 0 461.695 4.742 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001360324304 1065162849 /nfs/dbraw/zinc/16/28/49/1065162849.db2.gz NKAHHGMIOCAUHT-YADARESESA-N 1 0 496.121 4.790 20 0 JJADRO Cc1nc(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)sc1Cc1c(F)cccc1F ZINC001436074619 1065163005 /nfs/dbraw/zinc/16/30/05/1065163005.db2.gz SIMPXHMBHLBCFR-FMIVXFBMSA-N 1 0 457.546 4.913 20 0 JJADRO Cc1nc(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)sc1Cc1c(F)cccc1F ZINC001436074620 1065163144 /nfs/dbraw/zinc/16/31/44/1065163144.db2.gz SIMPXHMBHLBCFR-XFXZXTDPSA-N 1 0 457.546 4.913 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3cccs3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360324585 1065164167 /nfs/dbraw/zinc/16/41/67/1065164167.db2.gz QMMSYCBHQIMENV-RDGATRHJSA-N 1 0 475.703 4.527 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)CCC(F)(F)F)n2C[C@@H](c2ccccc2)[NH+]2CCCC2)CCOC1 ZINC001360328965 1065171136 /nfs/dbraw/zinc/17/11/36/1065171136.db2.gz PBOVIDVAQFJPMT-URXFXBBRSA-N 1 0 495.590 4.544 20 0 JJADRO C[C@@]1(CNC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@H+](Cc2ccccc2)C1 ZINC001436095023 1065176317 /nfs/dbraw/zinc/17/63/17/1065176317.db2.gz HBEVOJWFBLIUBS-QHCPKHFHSA-N 1 0 454.368 4.746 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCOC1 ZINC001360332635 1065177617 /nfs/dbraw/zinc/17/76/17/1065177617.db2.gz BDBBJMBPNZJMEB-AZSVPQILSA-N 1 0 475.722 4.846 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCC(C(C)C)CC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001360335568 1065182778 /nfs/dbraw/zinc/18/27/78/1065182778.db2.gz GITJAEDODRVGHB-LXFBAYGMSA-N 1 0 483.701 4.712 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2cccc(Cl)c2)CCOC1 ZINC001360339836 1065188219 /nfs/dbraw/zinc/18/82/19/1065188219.db2.gz XWKNVABIXYROIN-AREMUKBSSA-N 1 0 490.092 4.577 20 0 JJADRO CC(C)Oc1ccc(Cn2c(N(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)cn1 ZINC001360357433 1065208197 /nfs/dbraw/zinc/20/81/97/1065208197.db2.gz JAFOZRKTZBSIFJ-XMMPIXPASA-N 1 0 476.669 4.907 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3cccnc3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001360359422 1065211538 /nfs/dbraw/zinc/21/15/38/1065211538.db2.gz CWWBGZUTMUWBNI-UHFFFAOYSA-N 1 0 462.642 4.886 20 0 JJADRO CC(C)Oc1ccccc1Cn1c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001360362794 1065218709 /nfs/dbraw/zinc/21/87/09/1065218709.db2.gz XFJDEHYKCXPNMR-WIOPSUGQSA-N 1 0 493.700 4.664 20 0 JJADRO CC(C)OC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001360364031 1065220508 /nfs/dbraw/zinc/22/05/08/1065220508.db2.gz FIBYZXMSGRBACF-RUZDIDTESA-N 1 0 469.674 4.802 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360364151 1065221116 /nfs/dbraw/zinc/22/11/16/1065221116.db2.gz JWUUZKXPHGFMDT-LJQANCHMSA-N 1 0 461.054 4.652 20 0 JJADRO CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001436164577 1065224453 /nfs/dbraw/zinc/22/44/53/1065224453.db2.gz LULPRBVOOMOVET-RUZDIDTESA-N 1 0 451.611 4.792 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001436173840 1065229229 /nfs/dbraw/zinc/22/92/29/1065229229.db2.gz ANLCQOSDSPJGAE-IBGZPJMESA-N 1 0 458.002 4.612 20 0 JJADRO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC001360371027 1065231016 /nfs/dbraw/zinc/23/10/16/1065231016.db2.gz WVCVPFWWLVFRSK-RPWUZVMVSA-N 1 0 495.668 4.769 20 0 JJADRO CC(C)OCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001360376414 1065234423 /nfs/dbraw/zinc/23/44/23/1065234423.db2.gz CPIOOEBLIPUDQC-HSZRJFAPSA-N 1 0 483.701 4.606 20 0 JJADRO CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001360377097 1065237629 /nfs/dbraw/zinc/23/76/29/1065237629.db2.gz XGNXWARBPNWBST-UHFFFAOYSA-N 1 0 493.494 4.696 20 0 JJADRO CC(C)OCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001360377167 1065238169 /nfs/dbraw/zinc/23/81/69/1065238169.db2.gz ZGCMZROYYUHGTJ-SJORKVTESA-N 1 0 482.492 4.647 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc(Br)s2)c1 ZINC001436196439 1065243566 /nfs/dbraw/zinc/24/35/66/1065243566.db2.gz MXRDKMUZVRAAIY-AWEZNQCLSA-N 1 0 453.402 4.751 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197600 1065245303 /nfs/dbraw/zinc/24/53/03/1065245303.db2.gz KKLAFHWXFYJMFM-UMEGOILYSA-N 1 0 458.046 4.762 20 0 JJADRO CC(C)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001360385323 1065248128 /nfs/dbraw/zinc/24/81/28/1065248128.db2.gz CJFWURTXAMNLKM-JOCHJYFZSA-N 1 0 469.033 4.519 20 0 JJADRO CC(C)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001360385324 1065248144 /nfs/dbraw/zinc/24/81/44/1065248144.db2.gz CJFWURTXAMNLKM-QFIPXVFZSA-N 1 0 469.033 4.519 20 0 JJADRO Cc1ccc2cc(Cl)cc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@H+](C)C4)cc3)c2n1 ZINC001360387234 1065251741 /nfs/dbraw/zinc/25/17/41/1065251741.db2.gz DJRFKLJLUZADCC-NRFANRHFSA-N 1 0 450.970 4.615 20 0 JJADRO CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001360387120 1065252027 /nfs/dbraw/zinc/25/20/27/1065252027.db2.gz AEZFXPNEFPEIAT-DNQXCXABSA-N 1 0 453.652 4.749 20 0 JJADRO COc1ccc(CCC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(Br)c1 ZINC001436210252 1065253133 /nfs/dbraw/zinc/25/31/33/1065253133.db2.gz RZAZZUZVNALKSA-DEOSSOPVSA-N 1 0 457.412 4.515 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001436210082 1065253229 /nfs/dbraw/zinc/25/32/29/1065253229.db2.gz UCPZDQSUVHOYPJ-RPWUZVMVSA-N 1 0 451.611 4.720 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)c2ccccn2)CC1 ZINC001360409255 1065272575 /nfs/dbraw/zinc/27/25/75/1065272575.db2.gz BFJDITHBYRRYGD-UHFFFAOYSA-N 1 0 483.060 4.518 20 0 JJADRO CCSCc1ccccc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001360409133 1065272598 /nfs/dbraw/zinc/27/25/98/1065272598.db2.gz XRELBIFTFOMSCG-UHFFFAOYSA-N 1 0 451.558 4.640 20 0 JJADRO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001360411507 1065275255 /nfs/dbraw/zinc/27/52/55/1065275255.db2.gz BTJHZZVDNFULMB-OAQYLSRUSA-N 1 0 451.567 4.842 20 0 JJADRO CC(C)SCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001360417189 1065281076 /nfs/dbraw/zinc/28/10/76/1065281076.db2.gz SPUCELVFUJFHEE-HXUWFJFHSA-N 1 0 478.504 4.914 20 0 JJADRO CN(C)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)ncc1Br ZINC001436272505 1065283564 /nfs/dbraw/zinc/28/35/64/1065283564.db2.gz VALKLIOSCHIKCS-VQTJNVASSA-N 1 0 471.443 4.787 20 0 JJADRO C[C@@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001436280879 1065285462 /nfs/dbraw/zinc/28/54/62/1065285462.db2.gz PWQUZRGQVFTKIO-OIEGUCRUSA-N 1 0 453.671 4.612 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3cc4cccc(C)c4nc3Cl)CC2)cc1 ZINC001436318717 1065296168 /nfs/dbraw/zinc/29/61/68/1065296168.db2.gz RYWBUSNKVMZBFI-UHFFFAOYSA-N 1 0 450.970 4.549 20 0 JJADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436336455 1065297499 /nfs/dbraw/zinc/29/74/99/1065297499.db2.gz OXPFWXFTGVVJNP-NFBKMPQASA-N 1 0 457.659 4.639 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360428124 1065300131 /nfs/dbraw/zinc/30/01/31/1065300131.db2.gz CSBMOCUTVHSFDL-MGPUTAFESA-N 1 0 471.581 4.519 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@@]1(C)CCCS1 ZINC001545897492 1065305679 /nfs/dbraw/zinc/30/56/79/1065305679.db2.gz AJLPPZCLCMRCDO-LZCXECNNSA-N 1 0 490.762 4.573 20 0 JJADRO C[C@H](c1cc2ccccc2o1)N(C)c1nnc(C(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001360433854 1065313010 /nfs/dbraw/zinc/31/30/10/1065313010.db2.gz ZCBFPLPOXGUULN-LJQANCHMSA-N 1 0 452.647 4.545 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360434119 1065313729 /nfs/dbraw/zinc/31/37/29/1065313729.db2.gz ZKOARTKZRTUYJA-OSPHWJPCSA-N 1 0 463.642 4.924 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1CC=CCC1 ZINC001545897955 1065313983 /nfs/dbraw/zinc/31/39/83/1065313983.db2.gz JYIWYLHCMGDDIH-DHIUTWEWSA-N 1 0 470.706 4.501 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1CC=CCC1 ZINC001545897957 1065314765 /nfs/dbraw/zinc/31/47/65/1065314765.db2.gz JYIWYLHCMGDDIH-PKTZIBPZSA-N 1 0 470.706 4.501 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360437169 1065317947 /nfs/dbraw/zinc/31/79/47/1065317947.db2.gz DWQFECJTARUGBE-IUVOSCESSA-N 1 0 489.705 4.971 20 0 JJADRO CC(=O)N[C@H](CC(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C)c1cccs1 ZINC001436435748 1065318676 /nfs/dbraw/zinc/31/86/76/1065318676.db2.gz YYEIWUPWKHWJRD-BJKOFHAPSA-N 1 0 455.668 4.507 20 0 JJADRO C[C@@H](c1ccc(F)cc1F)N1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001360438376 1065319790 /nfs/dbraw/zinc/31/97/90/1065319790.db2.gz XXXUXAGHJDLJRJ-FQEVSTJZSA-N 1 0 474.644 4.514 20 0 JJADRO CCOC(=O)c1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001436447596 1065321536 /nfs/dbraw/zinc/32/15/36/1065321536.db2.gz VGRNKLVPRUJJJE-SANMLTNESA-N 1 0 457.574 4.565 20 0 JJADRO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360439381 1065321779 /nfs/dbraw/zinc/32/17/79/1065321779.db2.gz IWASLXCTBVUXRN-PBTUJPDXSA-N 1 0 494.709 4.930 20 0 JJADRO CCCc1noc2nc(-c3ccco3)cc(C(=O)NC3(C(F)(F)F)CC[NH+](CC)CC3)c12 ZINC001436465360 1065324946 /nfs/dbraw/zinc/32/49/46/1065324946.db2.gz OGFMUVXZHWZODD-UHFFFAOYSA-N 1 0 450.461 4.582 20 0 JJADRO COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC001436464633 1065325031 /nfs/dbraw/zinc/32/50/31/1065325031.db2.gz FQCYNYXGFBSFCP-DFBJGRDBSA-N 1 0 451.563 4.961 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360442965 1065328621 /nfs/dbraw/zinc/32/86/21/1065328621.db2.gz VZMATBUURKXSRP-MVJGVESJSA-N 1 0 497.690 4.761 20 0 JJADRO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](C2CC2)CC1 ZINC001360443352 1065329158 /nfs/dbraw/zinc/32/91/58/1065329158.db2.gz XZUSRSCJWYWTNB-DUTUXMCTSA-N 1 0 471.715 4.676 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(O)c1)[N@H+](C)C1CC1 ZINC001360445418 1065333046 /nfs/dbraw/zinc/33/30/46/1065333046.db2.gz BRVJHHNMACQEQN-ZRGHVXQMSA-N 1 0 455.647 4.582 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360450483 1065341925 /nfs/dbraw/zinc/34/19/25/1065341925.db2.gz NFZMYXXVZWZWCC-OIBXWCBGSA-N 1 0 482.673 4.888 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+](C)C1CCCCC1 ZINC001360450601 1065342510 /nfs/dbraw/zinc/34/25/10/1065342510.db2.gz OZEOWWYFSRPRDL-HXUWFJFHSA-N 1 0 480.682 4.732 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360451890 1065343995 /nfs/dbraw/zinc/34/39/95/1065343995.db2.gz CASBQNOLAMGVKK-HXUWFJFHSA-N 1 0 470.637 4.505 20 0 JJADRO C[C@@H](c1ccccc1F)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360451889 1065344205 /nfs/dbraw/zinc/34/42/05/1065344205.db2.gz CASBQNOLAMGVKK-FQEVSTJZSA-N 1 0 470.637 4.505 20 0 JJADRO CCc1ccc([C@H](CNC(=O)C2=Cc3cc(Br)ccc3OC2)[NH+](CC)CC)cc1 ZINC001436540450 1065351357 /nfs/dbraw/zinc/35/13/57/1065351357.db2.gz AXYLXEGQNWMBHZ-QFIPXVFZSA-N 1 0 457.412 4.987 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(COc2ccccc2F)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360460537 1065362496 /nfs/dbraw/zinc/36/24/96/1065362496.db2.gz BKJKAWAVYIJVJA-IBGZPJMESA-N 1 0 455.578 4.909 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001360461558 1065368436 /nfs/dbraw/zinc/36/84/36/1065368436.db2.gz XINWJSNJFFCJPN-YLJYHZDGSA-N 1 0 496.612 4.502 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001360465582 1065374508 /nfs/dbraw/zinc/37/45/08/1065374508.db2.gz WTYWQEAOOFTMKM-HNNXBMFYSA-N 1 0 453.327 4.787 20 0 JJADRO CCOC(=O)C(C)(C)c1csc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)n1 ZINC001436596359 1065390219 /nfs/dbraw/zinc/39/02/19/1065390219.db2.gz GJQJKPCMAKOAFO-WOJBJXKFSA-N 1 0 457.640 4.717 20 0 JJADRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001436598333 1065390890 /nfs/dbraw/zinc/39/08/90/1065390890.db2.gz GQLRTXLSQQCFGB-QHCPKHFHSA-N 1 0 451.014 4.925 20 0 JJADRO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001436596291 1065390914 /nfs/dbraw/zinc/39/09/14/1065390914.db2.gz CBUTYXNTQHTMKI-LJQANCHMSA-N 1 0 454.412 4.891 20 0 JJADRO Cc1noc(CSc2ccccc2C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC001436602172 1065394682 /nfs/dbraw/zinc/39/46/82/1065394682.db2.gz ZYJUITGEPQBANC-NRFANRHFSA-N 1 0 450.608 4.702 20 0 JJADRO Cc1cc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1Br ZINC001436620317 1065400683 /nfs/dbraw/zinc/40/06/83/1065400683.db2.gz XCXGUWQPUBVPFB-FQEVSTJZSA-N 1 0 455.318 4.828 20 0 JJADRO Cc1cc(I)cc(C(=O)N(C[C@H](C)[NH+](C)C)c2c(C)cccc2C)c1 ZINC001436632866 1065408954 /nfs/dbraw/zinc/40/89/54/1065408954.db2.gz CLLSHYAJXKJDBS-KRWDZBQOSA-N 1 0 450.364 4.813 20 0 JJADRO CC(C)(C)OC(=O)Nc1cnc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)cn1 ZINC001436646944 1065415753 /nfs/dbraw/zinc/41/57/53/1065415753.db2.gz HWONPRMRJLQFPX-UHFFFAOYSA-N 1 0 459.978 4.610 20 0 JJADRO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360501336 1065425096 /nfs/dbraw/zinc/42/50/96/1065425096.db2.gz RXJWZIZTDZAOPR-HXUWFJFHSA-N 1 0 454.688 4.781 20 0 JJADRO C[C@H](Cc1cccs1)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360501682 1065425852 /nfs/dbraw/zinc/42/58/52/1065425852.db2.gz VGKHBEGHDJKAIP-HXUWFJFHSA-N 1 0 452.672 4.839 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360502969 1065430806 /nfs/dbraw/zinc/43/08/06/1065430806.db2.gz GMLMITLCYWAJHZ-XXBNENTESA-N 1 0 451.615 4.995 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360503387 1065431483 /nfs/dbraw/zinc/43/14/83/1065431483.db2.gz KFIUFSRFMCYNEU-AUSIDOKSSA-N 1 0 476.650 4.868 20 0 JJADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360503427 1065431551 /nfs/dbraw/zinc/43/15/51/1065431551.db2.gz LCUFBCVWUZTQRH-RDPSFJRHSA-N 1 0 464.658 4.567 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)CC1 ZINC001545901292 1065437567 /nfs/dbraw/zinc/43/75/67/1065437567.db2.gz IZUZCCDWCXOENK-UHFFFAOYSA-N 1 0 453.558 4.845 20 0 JJADRO C[C@H](CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1Br)[NH+]1CCCCC1 ZINC001360504869 1065437579 /nfs/dbraw/zinc/43/75/79/1065437579.db2.gz CVVXVNKSHYDBGS-GOSISDBHSA-N 1 0 471.447 4.937 20 0 JJADRO C[C@H](CCn1c(-c2ccccc2F)nnc1N1CCC=C(Br)C1)[NH+]1CCCCC1 ZINC001360504864 1065437596 /nfs/dbraw/zinc/43/75/96/1065437596.db2.gz CTVSQHXKWNBAIC-QGZVFWFLSA-N 1 0 462.411 4.838 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccnc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360504806 1065437643 /nfs/dbraw/zinc/43/76/43/1065437643.db2.gz ZTPOFOZSUMCDHB-OAQYLSRUSA-N 1 0 462.642 4.768 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCCCC1 ZINC001360504815 1065437688 /nfs/dbraw/zinc/43/76/88/1065437688.db2.gz ZVWDUMALDGUXPJ-JOCHJYFZSA-N 1 0 476.669 4.692 20 0 JJADRO C[C@H](CCn1c(-c2cccn2C)nnc1N1CCSC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001360504882 1065438180 /nfs/dbraw/zinc/43/81/80/1065438180.db2.gz DGLMBMNITQPXJQ-HXUWFJFHSA-N 1 0 452.672 4.526 20 0 JJADRO C[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360504961 1065438283 /nfs/dbraw/zinc/43/82/83/1065438283.db2.gz FSGSBBVVVSGSKA-GMAHTHKFSA-N 1 0 489.668 4.708 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001360505284 1065439869 /nfs/dbraw/zinc/43/98/69/1065439869.db2.gz LFQZADDMZRKLOT-FGZHOGPDSA-N 1 0 462.642 4.768 20 0 JJADRO C[C@H](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCCCC1 ZINC001360505560 1065441588 /nfs/dbraw/zinc/44/15/88/1065441588.db2.gz QPXHFKUJTSWFGC-LGVFNWMJSA-N 1 0 453.675 4.714 20 0 JJADRO C[C@@H](CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001360505841 1065442253 /nfs/dbraw/zinc/44/22/53/1065442253.db2.gz WFWMSMVHTALKGE-INIZCTEOSA-N 1 0 466.939 4.903 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCOC2)nnc1N1CC=C(C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360509371 1065449677 /nfs/dbraw/zinc/44/96/77/1065449677.db2.gz RBTUDBNLTUIRNY-JTHBVZDNSA-N 1 0 451.659 4.875 20 0 JJADRO C[C@H](CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC001360509782 1065450458 /nfs/dbraw/zinc/45/04/58/1065450458.db2.gz XVJQMFLFWDUPIT-QUCCMNQESA-N 1 0 465.564 4.702 20 0 JJADRO C[C@@H](CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC001360509736 1065450625 /nfs/dbraw/zinc/45/06/25/1065450625.db2.gz XGRHWNDLYQECLX-NRFANRHFSA-N 1 0 496.700 4.902 20 0 JJADRO C[C@H](CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509670 1065450645 /nfs/dbraw/zinc/45/06/45/1065450645.db2.gz WNJSITUJEVJWFM-NFBKMPQASA-N 1 0 482.673 4.560 20 0 JJADRO C[C@H](CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC001360509737 1065450681 /nfs/dbraw/zinc/45/06/81/1065450681.db2.gz XGRHWNDLYQECLX-OAQYLSRUSA-N 1 0 496.700 4.902 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1)[NH+]1CCCCC1 ZINC001360509481 1065450754 /nfs/dbraw/zinc/45/07/54/1065450754.db2.gz TYGNBNNRDWGEBF-ZWKOTPCHSA-N 1 0 496.519 4.897 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC001436844736 1065451253 /nfs/dbraw/zinc/45/12/53/1065451253.db2.gz KBNQVWZEEFSACF-NFBKMPQASA-N 1 0 471.439 4.524 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)cc(F)c1Br ZINC001436846292 1065451449 /nfs/dbraw/zinc/45/14/49/1065451449.db2.gz NGVSRXYFEXIODG-DNVCBOLYSA-N 1 0 469.782 4.509 20 0 JJADRO C[C@@H](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)F)[NH+]1CCCCC1 ZINC001360509795 1065451516 /nfs/dbraw/zinc/45/15/16/1065451516.db2.gz XZXKIEOMDJBAEP-SFHVURJKSA-N 1 0 458.557 4.956 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(-c2ccccc2C)c1C(C)C ZINC001436849105 1065452339 /nfs/dbraw/zinc/45/23/39/1065452339.db2.gz VPVHEKHKZNZAFC-ZEQKJWHPSA-N 1 0 460.622 4.571 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(SC)c(Cl)cc1Cl ZINC001436849366 1065452576 /nfs/dbraw/zinc/45/25/76/1065452576.db2.gz XHPZTMLDKVGBAV-OXQOHEQNSA-N 1 0 453.435 4.982 20 0 JJADRO C[C@H](CCn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360510260 1065453447 /nfs/dbraw/zinc/45/34/47/1065453447.db2.gz HCJNWCUOKMRLLD-FYYLOGMGSA-N 1 0 498.716 4.837 20 0 JJADRO C[C@H](CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC[C@H]1C)[NH+]1CCCCC1 ZINC001360510601 1065454683 /nfs/dbraw/zinc/45/46/83/1065454683.db2.gz OFEJCWKVCXQAHU-RTBURBONSA-N 1 0 464.079 4.713 20 0 JJADRO C[C@H](CCn1c(CC2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360511573 1065457255 /nfs/dbraw/zinc/45/72/55/1065457255.db2.gz YDEHKYVJKCIBLB-OAQYLSRUSA-N 1 0 496.700 4.635 20 0 JJADRO C[C@@H](CCn1c(N2CCN(Cc3ccsc3)CC2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360513528 1065460974 /nfs/dbraw/zinc/46/09/74/1065460974.db2.gz BNVIWANGYUMWCW-QFIPXVFZSA-N 1 0 480.726 4.870 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCCOC1)[N@H+](C)Cc1ccccc1 ZINC001360513682 1065461603 /nfs/dbraw/zinc/46/16/03/1065461603.db2.gz FOMQYGFZNFULMH-VNSJUHMKSA-N 1 0 497.728 4.970 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1)[N@H+](C)Cc1ccccc1 ZINC001360513679 1065461631 /nfs/dbraw/zinc/46/16/31/1065461631.db2.gz FOMQYGFZNFULMH-ADXHGGABSA-N 1 0 497.728 4.970 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC1)[NH+]1CCCCC1 ZINC001360513741 1065461685 /nfs/dbraw/zinc/46/16/85/1065461685.db2.gz HBPSPMKAKXVCHQ-CTNGQTDRSA-N 1 0 460.667 4.603 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)C(C)(C)C[NH+]1CCCC1 ZINC001436918786 1065471486 /nfs/dbraw/zinc/47/14/86/1065471486.db2.gz ASHSRKOQRNLBPX-UHFFFAOYSA-N 1 0 458.400 4.648 20 0 JJADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001360517114 1065479340 /nfs/dbraw/zinc/47/93/40/1065479340.db2.gz XIVGPXSXLXIUOH-OAQYLSRUSA-N 1 0 488.721 4.578 20 0 JJADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)/C=C/c1nc2ccccc2s1 ZINC001436961493 1065482034 /nfs/dbraw/zinc/48/20/34/1065482034.db2.gz WPTGCWOKGIBSEQ-ZHACJKMWSA-N 1 0 459.413 4.709 20 0 JJADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001437006580 1065492712 /nfs/dbraw/zinc/49/27/12/1065492712.db2.gz MRJOYAHOJSKCNC-SFHVURJKSA-N 1 0 458.027 4.910 20 0 JJADRO CC(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001360520678 1065493984 /nfs/dbraw/zinc/49/39/84/1065493984.db2.gz KXZBZEHPHPEOMZ-NQIIRXRSSA-N 1 0 489.089 4.652 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(OC)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545904059 1065496227 /nfs/dbraw/zinc/49/62/27/1065496227.db2.gz NMTKCYMVXWJHDR-BWKNWUBXSA-N 1 0 496.700 4.667 20 0 JJADRO CC(C)N(C(=O)c1csc(COc2ccc(F)cc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001437026785 1065498816 /nfs/dbraw/zinc/49/88/16/1065498816.db2.gz GSJFBOALNBAAOW-NRFANRHFSA-N 1 0 453.583 4.986 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001545904153 1065499685 /nfs/dbraw/zinc/49/96/85/1065499685.db2.gz PFPKTLZIZAIKHY-RTWAWAEBSA-N 1 0 472.703 4.720 20 0 JJADRO C[C@H](CN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1cccs1)[NH+](C)C)c1nccs1 ZINC001360525314 1065501687 /nfs/dbraw/zinc/50/16/87/1065501687.db2.gz SFHOQYBHZAGHCW-FGTMMUONSA-N 1 0 460.673 4.581 20 0 JJADRO C[C@H](CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001360525377 1065502121 /nfs/dbraw/zinc/50/21/21/1065502121.db2.gz TWPHVSMMDJKPEW-CEMLEFRQSA-N 1 0 453.656 4.776 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(OC)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001545904423 1065503985 /nfs/dbraw/zinc/50/39/85/1065503985.db2.gz UVHGFOARYLHMJI-DEOSSOPVSA-N 1 0 496.700 4.811 20 0 JJADRO C[C@H](CN(C)c1nnc(Cc2ccsc2)n1CCC[N@@H+]1CCCC[C@H]1C)c1nccs1 ZINC001360526737 1065506002 /nfs/dbraw/zinc/50/60/02/1065506002.db2.gz SCBATXKYPAZMJE-RTBURBONSA-N 1 0 458.701 4.891 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360535210 1065516866 /nfs/dbraw/zinc/51/68/66/1065516866.db2.gz AXTITDWUBQQYIC-XLIONFOSSA-N 1 0 489.064 4.575 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(Cl)s1)[N@H+](C)C1CC1 ZINC001360535471 1065517340 /nfs/dbraw/zinc/51/73/40/1065517340.db2.gz OARYMYLUIFJTEO-ZDUSSCGKSA-N 1 0 497.894 4.880 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360536046 1065517943 /nfs/dbraw/zinc/51/79/43/1065517943.db2.gz KIHXOMYHEONWRS-DYESRHJHSA-N 1 0 489.064 4.527 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CCCCC1)[NH+](C)C ZINC001360537066 1065520557 /nfs/dbraw/zinc/52/05/57/1065520557.db2.gz WSHFWYXQELMDSY-HNNXBMFYSA-N 1 0 452.416 4.813 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(Cl)=C(Cl)C1)[NH+](C)C ZINC001360536902 1065520674 /nfs/dbraw/zinc/52/06/74/1065520674.db2.gz UANUSKAJLIBOEM-LLVKDONJSA-N 1 0 477.209 4.696 20 0 JJADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)Cn2cc(C(N)=O)c3ccccc32)cc1 ZINC001437224417 1065522302 /nfs/dbraw/zinc/52/23/02/1065522302.db2.gz MXDSSOAQXBQHSJ-UHFFFAOYSA-N 1 0 454.574 4.791 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CCCC1)[NH+](C)C ZINC001360540293 1065524782 /nfs/dbraw/zinc/52/47/82/1065524782.db2.gz GDBBRPFDKQDTTP-CQSZACIVSA-N 1 0 454.844 4.938 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1nccs1)[N@H+](C)Cc1ccccc1 ZINC001360540188 1065524820 /nfs/dbraw/zinc/52/48/20/1065524820.db2.gz BBGOZTONYJDERC-SFHVURJKSA-N 1 0 482.057 4.649 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCc1cccs1)[N@H+](C)C1CC1 ZINC001360540280 1065525038 /nfs/dbraw/zinc/52/50/38/1065525038.db2.gz FYCKCCVGVXJBBE-MRXNPFEDSA-N 1 0 474.472 4.931 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360540613 1065525485 /nfs/dbraw/zinc/52/54/85/1065525485.db2.gz HNTDDBUNLQHUBR-NZQKXSOJSA-N 1 0 494.728 4.856 20 0 JJADRO CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)nc1 ZINC001437254038 1065526051 /nfs/dbraw/zinc/52/60/51/1065526051.db2.gz MTNCTTDGIQZSKN-NHCUHLMSSA-N 1 0 463.603 4.953 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001360541785 1065529821 /nfs/dbraw/zinc/52/98/21/1065529821.db2.gz TZMUFVZTTWCZJQ-NVXWUHKLSA-N 1 0 497.471 4.696 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360544299 1065533089 /nfs/dbraw/zinc/53/30/89/1065533089.db2.gz GDBLGQWPVHKVPF-NRFANRHFSA-N 1 0 482.673 4.655 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360544013 1065533157 /nfs/dbraw/zinc/53/31/57/1065533157.db2.gz ADDPQERMIPOZJR-NRFANRHFSA-N 1 0 496.700 4.901 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360545061 1065535513 /nfs/dbraw/zinc/53/55/13/1065535513.db2.gz WBJSAHQBMJVDAR-HKUYNNGSSA-N 1 0 490.490 4.974 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)CCCc1ccccn1)[N@H+](C)C1CC1 ZINC001360545323 1065536159 /nfs/dbraw/zinc/53/61/59/1065536159.db2.gz ZFTFOIDHWXNSTE-SFHVURJKSA-N 1 0 483.458 4.654 20 0 JJADRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001437320155 1065536890 /nfs/dbraw/zinc/53/68/90/1065536890.db2.gz RJVJBWGDIDQDBP-XEBLDREYSA-N 1 0 457.659 4.970 20 0 JJADRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1c(F)ccc(Br)c1F ZINC001437319402 1065537190 /nfs/dbraw/zinc/53/71/90/1065537190.db2.gz QQYWSNUHUHOMOX-ARFHVFGLSA-N 1 0 451.355 4.780 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@]2(CC=CCC2)C1)[NH+](C)C ZINC001360562269 1065551968 /nfs/dbraw/zinc/55/19/68/1065551968.db2.gz AVRUDFGTJOWQIB-LOYIFYEOSA-N 1 0 486.705 4.669 20 0 JJADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C)[NH+](C)C ZINC001360562298 1065552523 /nfs/dbraw/zinc/55/25/23/1065552523.db2.gz BEDBKRGXTSNXMG-LGVFNWMJSA-N 1 0 496.700 4.725 20 0 JJADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1ccccc1)[NH+](C)C ZINC001360562760 1065553056 /nfs/dbraw/zinc/55/30/56/1065553056.db2.gz FRTKUBFIXRMZHA-WOJBJXKFSA-N 1 0 470.662 4.540 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)c2ccc(F)cc2)CC1 ZINC001360563990 1065554420 /nfs/dbraw/zinc/55/44/20/1065554420.db2.gz NFKSNWKZNUGYOJ-REWPJTCUSA-N 1 0 457.638 4.672 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1)[N@H+](C)Cc1ccccc1 ZINC001360564018 1065554918 /nfs/dbraw/zinc/55/49/18/1065554918.db2.gz NJTGGQBJLZYWBS-PKOBYXMFSA-N 1 0 464.441 4.592 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC001360569057 1065561396 /nfs/dbraw/zinc/56/13/96/1065561396.db2.gz FTPPPTVWMIBVAZ-XXBNENTESA-N 1 0 457.638 4.674 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)[N@H+](C)C1CC1 ZINC001360569328 1065562105 /nfs/dbraw/zinc/56/21/05/1065562105.db2.gz JVQPXSXMBUIWLC-QGZVFWFLSA-N 1 0 461.601 4.675 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)N(C)c1ccccc1 ZINC001360571524 1065565151 /nfs/dbraw/zinc/56/51/51/1065565151.db2.gz XHMLTWWHORIPFH-DHIUTWEWSA-N 1 0 452.691 4.704 20 0 JJADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001360574032 1065568399 /nfs/dbraw/zinc/56/83/99/1065568399.db2.gz YIMSMAXYRBAZFR-BBWFWOEESA-N 1 0 451.993 4.733 20 0 JJADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC001360574933 1065570576 /nfs/dbraw/zinc/57/05/76/1065570576.db2.gz QFPPQPOHRUAQBD-UGKGYDQZSA-N 1 0 472.559 4.563 20 0 JJADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1)[NH+](C)C ZINC001360578283 1065573527 /nfs/dbraw/zinc/57/35/27/1065573527.db2.gz HRKPXKQUJHJYLZ-LJQANCHMSA-N 1 0 467.683 4.868 20 0 JJADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C(C)(C)C)CC1)Oc1ccc(Cl)cc1 ZINC001360578434 1065574024 /nfs/dbraw/zinc/57/40/24/1065574024.db2.gz IYPHKPKRIZVDEG-GOSISDBHSA-N 1 0 474.074 4.972 20 0 JJADRO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001360578909 1065574680 /nfs/dbraw/zinc/57/46/80/1065574680.db2.gz OARUJAQAGDUUBC-RTWAWAEBSA-N 1 0 492.634 4.604 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccsc1)[NH+](C)C ZINC001360583372 1065580666 /nfs/dbraw/zinc/58/06/66/1065580666.db2.gz CATJABLBPLEEMR-CQSZACIVSA-N 1 0 454.427 4.812 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccsc1)[NH+](C)C ZINC001360583371 1065580691 /nfs/dbraw/zinc/58/06/91/1065580691.db2.gz CATJABLBPLEEMR-AWEZNQCLSA-N 1 0 454.427 4.812 20 0 JJADRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2cc(Br)sc2Br)C1 ZINC001437585499 1065581880 /nfs/dbraw/zinc/58/18/80/1065581880.db2.gz VTRCEIAMAPRWSJ-GFCCVEGCSA-N 1 0 458.219 4.796 20 0 JJADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC001437586085 1065581904 /nfs/dbraw/zinc/58/19/04/1065581904.db2.gz LPHNPSGAJYFGON-UNMCSNQZSA-N 1 0 459.428 4.554 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1)[N@H+](C)C1CC1 ZINC001360583724 1065582431 /nfs/dbraw/zinc/58/24/31/1065582431.db2.gz IMSUQJXCDLCZNF-CQSZACIVSA-N 1 0 474.383 4.882 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCCc2sccc2C1)[NH+](C)C ZINC001360583854 1065582495 /nfs/dbraw/zinc/58/24/95/1065582495.db2.gz LUIOCICFYASUHN-MRXNPFEDSA-N 1 0 490.471 4.584 20 0 JJADRO COc1cc(OC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1Br ZINC001437601153 1065583622 /nfs/dbraw/zinc/58/36/22/1065583622.db2.gz LPKLSTGYYXASRI-LJQANCHMSA-N 1 0 458.274 4.818 20 0 JJADRO C[C@H](Cn1c(N(C)CCCc2cc(-c3ccccc3)no2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360586059 1065585867 /nfs/dbraw/zinc/58/58/67/1065585867.db2.gz BHQCVAFKWZDEIY-LJQANCHMSA-N 1 0 450.631 4.782 20 0 JJADRO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001437648733 1065587815 /nfs/dbraw/zinc/58/78/15/1065587815.db2.gz BDJVFYBFWLKEEY-INIZCTEOSA-N 1 0 456.578 4.936 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)c1 ZINC001360590083 1065594545 /nfs/dbraw/zinc/59/45/45/1065594545.db2.gz ZKHDETXCKPGOFU-MAODHWIISA-N 1 0 459.631 4.675 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCCCCC1)C[NH+]1CCCC1 ZINC001360591385 1065598444 /nfs/dbraw/zinc/59/84/44/1065598444.db2.gz CCVVNAOILDXDFB-SFHVURJKSA-N 1 0 463.468 4.549 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001360591489 1065598888 /nfs/dbraw/zinc/59/88/88/1065598888.db2.gz DMIFKIZXWNLWTH-UYAOXDASSA-N 1 0 460.464 4.922 20 0 JJADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccoc1)C[NH+]1CCCC1 ZINC001360591591 1065598931 /nfs/dbraw/zinc/59/89/31/1065598931.db2.gz GMGUTYLHCNPQCR-MRXNPFEDSA-N 1 0 476.394 4.808 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC001360591638 1065598943 /nfs/dbraw/zinc/59/89/43/1065598943.db2.gz HDCQPQIBZXOCPQ-INIZCTEOSA-N 1 0 468.390 4.675 20 0 JJADRO C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC001360592091 1065599460 /nfs/dbraw/zinc/59/94/60/1065599460.db2.gz PIKCZXQJSPXZIQ-NJDAHSKKSA-N 1 0 476.065 4.666 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCc1nccs1)C[NH+]1CCCC1 ZINC001360592113 1065600082 /nfs/dbraw/zinc/60/00/82/1065600082.db2.gz PLUJJBSRUZFRFJ-QGZVFWFLSA-N 1 0 489.487 4.575 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C)[C@H]1C)C[NH+]1CCCC1 ZINC001360592133 1065600166 /nfs/dbraw/zinc/60/01/66/1065600166.db2.gz PUVIEGMSNMYJOT-ZRNYENFQSA-N 1 0 461.651 4.619 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC=C(Br)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360592337 1065600868 /nfs/dbraw/zinc/60/08/68/1065600868.db2.gz TWMWQFZLJFLNIQ-ZWKOTPCHSA-N 1 0 492.437 4.778 20 0 JJADRO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001360592499 1065600897 /nfs/dbraw/zinc/60/08/97/1065600897.db2.gz WSWNDUOIAULONX-WIOPSUGQSA-N 1 0 483.701 4.605 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1C)C[NH+]1CCCC1 ZINC001360594071 1065604156 /nfs/dbraw/zinc/60/41/56/1065604156.db2.gz LTRAABOIKYEHTG-HZPDHXFCSA-N 1 0 450.400 4.567 20 0 JJADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360594367 1065604839 /nfs/dbraw/zinc/60/48/39/1065604839.db2.gz QRUZPTUWVUMNGR-IRLDBZIGSA-N 1 0 457.638 4.524 20 0 JJADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC001360595190 1065606646 /nfs/dbraw/zinc/60/66/46/1065606646.db2.gz YROPLKIHWDIHGO-IBGZPJMESA-N 1 0 472.559 4.651 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597403 1065613924 /nfs/dbraw/zinc/61/39/24/1065613924.db2.gz OJEYYBNNNFOJLU-ZACQAIPSSA-N 1 0 482.492 4.505 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597564 1065614696 /nfs/dbraw/zinc/61/46/96/1065614696.db2.gz POCINSBPCLQPMI-IRXDYDNUSA-N 1 0 482.492 4.506 20 0 JJADRO C[C@H](CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)C[NH+]1CCCC1)c1nccs1 ZINC001360598326 1065617474 /nfs/dbraw/zinc/61/74/74/1065617474.db2.gz XCURKJRGUFDZJJ-DOIPELPJSA-N 1 0 474.719 4.625 20 0 JJADRO CC(C)c1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360598474 1065618415 /nfs/dbraw/zinc/61/84/15/1065618415.db2.gz YCNXUFSGSCONDG-ROUUACIJSA-N 1 0 452.068 4.816 20 0 JJADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)C[NH+]1CCCCC1 ZINC001360598442 1065618466 /nfs/dbraw/zinc/61/84/66/1065618466.db2.gz BHUUGWUGKBKHMV-DLBZAZTESA-N 1 0 486.608 4.753 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360598552 1065619067 /nfs/dbraw/zinc/61/90/67/1065619067.db2.gz ZLKYCLWKPBDICY-MOPGFXCFSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360599227 1065620712 /nfs/dbraw/zinc/62/07/12/1065620712.db2.gz MBASPMLEXFSFOB-OAQYLSRUSA-N 1 0 452.672 4.862 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC001360599821 1065621505 /nfs/dbraw/zinc/62/15/05/1065621505.db2.gz XJQWCNXBNOAUAG-QHCPKHFHSA-N 1 0 486.749 4.608 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1)C[NH+]1CCCCC1 ZINC001360603578 1065628650 /nfs/dbraw/zinc/62/86/50/1065628650.db2.gz VANHZCRJDPRZSP-QUCCMNQESA-N 1 0 464.079 4.574 20 0 JJADRO Cc1ccccc1N1CCN(c2nnc(CC(C)C)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001492597468 1065629531 /nfs/dbraw/zinc/62/95/31/1065629531.db2.gz ZDVNCMFFWLDVOK-UHFFFAOYSA-N 1 0 452.691 4.624 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC001360603982 1065629792 /nfs/dbraw/zinc/62/97/92/1065629792.db2.gz YDNMPFRRJCMIHH-PKTZIBPZSA-N 1 0 483.701 4.749 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1)C[NH+]1CCOCC1 ZINC001360606183 1065631592 /nfs/dbraw/zinc/63/15/92/1065631592.db2.gz LKFIOTRYPDTFGW-QFIPXVFZSA-N 1 0 497.728 4.823 20 0 JJADRO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001360610284 1065643855 /nfs/dbraw/zinc/64/38/55/1065643855.db2.gz GKWOZRDNHMBBHW-YADHBBJMSA-N 1 0 498.716 4.738 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545912296 1065653459 /nfs/dbraw/zinc/65/34/59/1065653459.db2.gz NOVIVQLMSCNNNC-UNMCSNQZSA-N 1 0 486.730 4.590 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)/C=C\c2ccnc3ccccc23)C1 ZINC001438032363 1065655947 /nfs/dbraw/zinc/65/59/47/1065655947.db2.gz JCFAKWIESJMDMC-CRLZUZNUSA-N 1 0 450.380 4.920 20 0 JJADRO CC1=NN(c2ccc(C(=O)N3C[C@@H]([NH+](C)C)CCc4cc(Br)ccc43)cc2)CC1 ZINC001438037420 1065657631 /nfs/dbraw/zinc/65/76/31/1065657631.db2.gz WWZIYXFGBKYREK-NRFANRHFSA-N 1 0 455.400 4.558 20 0 JJADRO CC(F)(F)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001360626768 1065672063 /nfs/dbraw/zinc/67/20/63/1065672063.db2.gz UOUFETBMUDDTOY-UHFFFAOYSA-N 1 0 468.390 4.818 20 0 JJADRO COc1ccc(OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1I ZINC001438120901 1065674143 /nfs/dbraw/zinc/67/41/43/1065674143.db2.gz HNWXOZNRXVRARE-UHFFFAOYSA-N 1 0 451.304 4.505 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCC(C)(F)F)C1 ZINC001360630763 1065679692 /nfs/dbraw/zinc/67/96/92/1065679692.db2.gz WUXITOHOUBJYHG-KDURUIRLSA-N 1 0 496.647 4.549 20 0 JJADRO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC001360631233 1065680837 /nfs/dbraw/zinc/68/08/37/1065680837.db2.gz LXUDEJRXPOTVSB-RLWLMLJZSA-N 1 0 456.590 4.874 20 0 JJADRO C[C@H](N1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1)C(F)(F)F ZINC001360632380 1065684738 /nfs/dbraw/zinc/68/47/38/1065684738.db2.gz ODMDGODBTDIQFI-PGRDOPGGSA-N 1 0 496.597 4.668 20 0 JJADRO CCC1([NH+](C)C)CCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)CC1 ZINC001438207101 1065695280 /nfs/dbraw/zinc/69/52/80/1065695280.db2.gz FPZLKWHUSVJAPJ-UHFFFAOYSA-N 1 0 450.352 4.722 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CCC3)n2CCCCC[NH+]2CCCC2)C1 ZINC001360636872 1065695920 /nfs/dbraw/zinc/69/59/20/1065695920.db2.gz MYWZRMVJIVWLIF-GMAHTHKFSA-N 1 0 488.721 4.941 20 0 JJADRO CCC1([NH+](C)C)CCN(C(=O)c2cc(I)c(Cl)cc2Cl)CC1 ZINC001438208953 1065697153 /nfs/dbraw/zinc/69/71/53/1065697153.db2.gz ZSVROCQGYLGLDT-UHFFFAOYSA-N 1 0 455.167 4.544 20 0 JJADRO CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cc1 ZINC001438247672 1065701835 /nfs/dbraw/zinc/70/18/35/1065701835.db2.gz FOGYIJSNWPILNL-NRFANRHFSA-N 1 0 450.410 4.641 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360638807 1065704510 /nfs/dbraw/zinc/70/45/10/1065704510.db2.gz JDJMKPKUHZBZPE-PCCBWWKXSA-N 1 0 476.710 4.580 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001360640197 1065709979 /nfs/dbraw/zinc/70/99/79/1065709979.db2.gz UZVIDLFNEKFUJB-JTHBVZDNSA-N 1 0 482.673 4.561 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC001438334773 1065711487 /nfs/dbraw/zinc/71/14/87/1065711487.db2.gz MUKRLEFAZVMPBQ-VJGNERBWSA-N 1 0 478.036 4.736 20 0 JJADRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c2cc(Br)ccc2n1 ZINC001438338414 1065711905 /nfs/dbraw/zinc/71/19/05/1065711905.db2.gz WTHWDVKFLWTPOD-APWZRJJASA-N 1 0 452.396 4.804 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCCC3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001360641341 1065713508 /nfs/dbraw/zinc/71/35/08/1065713508.db2.gz GYKHNSWFYDKCBH-ZJSXRUAMSA-N 1 0 496.700 4.807 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360641641 1065714126 /nfs/dbraw/zinc/71/41/26/1065714126.db2.gz LDEZNNVMLDWBQD-UNMCSNQZSA-N 1 0 496.700 4.784 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001360641674 1065714323 /nfs/dbraw/zinc/71/43/23/1065714323.db2.gz LMIGZQQOOZQAPE-UTKZUKDTSA-N 1 0 488.702 4.650 20 0 JJADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360641780 1065714590 /nfs/dbraw/zinc/71/45/90/1065714590.db2.gz NDMWTCLFJAYUJT-HFMPRLQTSA-N 1 0 496.700 4.806 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 ZINC001360644586 1065719371 /nfs/dbraw/zinc/71/93/71/1065719371.db2.gz BEWZINGJJPMTHG-UGKGYDQZSA-N 1 0 468.596 4.875 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC=C(Br)C1)c1ccccc1 ZINC001360645113 1065719885 /nfs/dbraw/zinc/71/98/85/1065719885.db2.gz FMVVEIYCMAINPO-IBGZPJMESA-N 1 0 495.469 4.882 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@H](C)C1)c1ccccc1 ZINC001360644970 1065719991 /nfs/dbraw/zinc/71/99/91/1065719991.db2.gz FAOQVDCKYVWZEN-NJYVYQBISA-N 1 0 475.641 4.537 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@@H](C)C1)c1ccccc1 ZINC001360644967 1065720053 /nfs/dbraw/zinc/72/00/53/1065720053.db2.gz FAOQVDCKYVWZEN-ACRUOGEOSA-N 1 0 475.641 4.537 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccccc1 ZINC001360644929 1065720130 /nfs/dbraw/zinc/72/01/30/1065720130.db2.gz DRBJNZLVBJGQPN-FXAWDEMLSA-N 1 0 492.590 4.527 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC001360646306 1065721632 /nfs/dbraw/zinc/72/16/32/1065721632.db2.gz OUXUZVCOUCWXCY-QFIPXVFZSA-N 1 0 494.728 4.835 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)CC1CC(F)(F)C1)c1ccccc1 ZINC001360647520 1065723524 /nfs/dbraw/zinc/72/35/24/1065723524.db2.gz YJRLDJKNBZAXMT-IBGZPJMESA-N 1 0 468.596 4.875 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCc2ccc(Br)cn2)c1 ZINC001438571273 1065732899 /nfs/dbraw/zinc/73/28/99/1065732899.db2.gz JSWTVEXSULXWPA-BJKOFHAPSA-N 1 0 464.407 4.685 20 0 JJADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001360681211 1065734774 /nfs/dbraw/zinc/73/47/74/1065734774.db2.gz ANVZRTUTIHXZRL-OAQYLSRUSA-N 1 0 456.011 4.699 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc2ccccc2cc1Br ZINC001360706734 1065742538 /nfs/dbraw/zinc/74/25/38/1065742538.db2.gz MFBKHNHYIOYWJQ-LJQANCHMSA-N 1 0 452.396 4.982 20 0 JJADRO C[C@@](O)(C1CCN(c2nnc(Cc3ccsc3)n2CCCCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001360723893 1065750875 /nfs/dbraw/zinc/75/08/75/1065750875.db2.gz FTCLQTOJIQVCSK-HSZRJFAPSA-N 1 0 499.647 4.726 20 0 JJADRO Cc1c(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)nnn1-c1cccc(Br)c1 ZINC001438795162 1065753199 /nfs/dbraw/zinc/75/31/99/1065753199.db2.gz KTUSFFNQCCFSAM-UHFFFAOYSA-N 1 0 454.372 4.576 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 ZINC001360733583 1065762105 /nfs/dbraw/zinc/76/21/05/1065762105.db2.gz YMXDYUSSFRENQK-OAQYLSRUSA-N 1 0 453.675 4.669 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360736750 1065765692 /nfs/dbraw/zinc/76/56/92/1065765692.db2.gz HAGWCZANNQZAKY-AZUAARDMSA-N 1 0 461.651 4.621 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360738097 1065767859 /nfs/dbraw/zinc/76/78/59/1065767859.db2.gz KALKKPWRLIZRBX-GOSISDBHSA-N 1 0 472.634 4.772 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360739934 1065772493 /nfs/dbraw/zinc/77/24/93/1065772493.db2.gz ZBCHMNLCKGYRNQ-REWPJTCUSA-N 1 0 473.637 4.685 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCOC(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001360740165 1065772970 /nfs/dbraw/zinc/77/29/70/1065772970.db2.gz CNOULUDVEBYZQT-IBGZPJMESA-N 1 0 461.626 4.683 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC1([NH+](C)C)CCCCC1 ZINC001360740160 1065773136 /nfs/dbraw/zinc/77/31/36/1065773136.db2.gz CIZNNTKSDLCVIS-VQTJNVASSA-N 1 0 473.637 4.825 20 0 JJADRO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001438988232 1065774343 /nfs/dbraw/zinc/77/43/43/1065774343.db2.gz WGQKZXDNUHYBRR-IBGZPJMESA-N 1 0 458.628 4.925 20 0 JJADRO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001360742412 1065777686 /nfs/dbraw/zinc/77/76/86/1065777686.db2.gz XDFIXUPINWIECH-LAUBAEHRSA-N 1 0 456.637 4.853 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC(C)(C)C[NH+](C)C ZINC001360742335 1065777792 /nfs/dbraw/zinc/77/77/92/1065777792.db2.gz XKXNPLVDVYZGEV-GOSISDBHSA-N 1 0 461.626 4.539 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C ZINC001360742270 1065777805 /nfs/dbraw/zinc/77/78/05/1065777805.db2.gz WPWXUPRMDVYTOO-VQTJNVASSA-N 1 0 461.626 4.680 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001360743804 1065780620 /nfs/dbraw/zinc/78/06/20/1065780620.db2.gz JRUWKIHQDBRHTG-HXUWFJFHSA-N 1 0 471.621 4.603 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCS1 ZINC001360744802 1065783226 /nfs/dbraw/zinc/78/32/26/1065783226.db2.gz AWZXCWDBHWYZHW-NQIIRXRSSA-N 1 0 461.651 4.763 20 0 JJADRO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(Br)C1)[N@H+](C)C1CC1 ZINC001360745574 1065785486 /nfs/dbraw/zinc/78/54/86/1065785486.db2.gz MVXYYGCXLJSGEY-HOTGVXAUSA-N 1 0 478.410 4.529 20 0 JJADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439112018 1065788717 /nfs/dbraw/zinc/78/87/17/1065788717.db2.gz STYLLIVESDGKAK-GWJPWWOOSA-N 1 0 459.453 4.910 20 0 JJADRO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001360748407 1065789758 /nfs/dbraw/zinc/78/97/58/1065789758.db2.gz YCLTYJMKGLWAJS-GOSISDBHSA-N 1 0 456.512 4.936 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSCC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001360749500 1065792573 /nfs/dbraw/zinc/79/25/73/1065792573.db2.gz FEOUSSZKIBCHIR-UXHICEINSA-N 1 0 461.651 4.765 20 0 JJADRO C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1Cc1cccs1)[NH+](C)C ZINC001360750268 1065794681 /nfs/dbraw/zinc/79/46/81/1065794681.db2.gz VKAKGWUSDOPDAN-GGPKGHCWSA-N 1 0 457.619 4.780 20 0 JJADRO O=C(c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001360751576 1065797807 /nfs/dbraw/zinc/79/78/07/1065797807.db2.gz DLGREIJTMKUSPS-SFHVURJKSA-N 1 0 454.924 4.694 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360753819 1065801321 /nfs/dbraw/zinc/80/13/21/1065801321.db2.gz JKSPKZXFICVNGE-DLBZAZTESA-N 1 0 461.035 4.649 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCOC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360753903 1065801436 /nfs/dbraw/zinc/80/14/36/1065801436.db2.gz KZKLBAJWVZZGHL-AZUAARDMSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H]1[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C ZINC001439227878 1065802442 /nfs/dbraw/zinc/80/24/42/1065802442.db2.gz ZOZFQDYSQMVSMH-YJBOKZPZSA-N 1 0 455.521 4.885 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[NH+]1CCCCC1 ZINC001360754450 1065805262 /nfs/dbraw/zinc/80/52/62/1065805262.db2.gz UXCIJORXSGTHIL-QGZVFWFLSA-N 1 0 492.455 4.581 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439272061 1065808177 /nfs/dbraw/zinc/80/81/77/1065808177.db2.gz HQQWWWLTYJBEKK-BHIFYINESA-N 1 0 473.658 4.563 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001360756037 1065812448 /nfs/dbraw/zinc/81/24/48/1065812448.db2.gz NHRTYFJMLRSXMW-OKZBNKHCSA-N 1 0 462.038 4.558 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001360756206 1065813813 /nfs/dbraw/zinc/81/38/13/1065813813.db2.gz QGYNDFGCLVWIFU-TZIWHRDSSA-N 1 0 490.092 4.791 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360757641 1065819870 /nfs/dbraw/zinc/81/98/70/1065819870.db2.gz FLGZRBRISQYNBR-DYLHXGEVSA-N 1 0 490.092 4.933 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCCO)CC2)n1CC[NH+]1CCCCCC1 ZINC001360758092 1065823048 /nfs/dbraw/zinc/82/30/48/1065823048.db2.gz MNXLBNBUOWKRED-OAQYLSRUSA-N 1 0 490.092 4.936 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC[N@@H+]1CCC[C@H]1C ZINC001360760711 1065833868 /nfs/dbraw/zinc/83/38/68/1065833868.db2.gz ROWGSMUCONFMNS-QYZOEREBSA-N 1 0 462.038 4.560 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(Nc2ccn(C)n2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360762197 1065838219 /nfs/dbraw/zinc/83/82/19/1065838219.db2.gz BPFGUWNNUHPMSZ-MAUKXSAKSA-N 1 0 472.018 4.913 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCSC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360762481 1065839490 /nfs/dbraw/zinc/83/94/90/1065839490.db2.gz GHSWEXPXUAKMHP-XKGZKEIXSA-N 1 0 475.659 4.863 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC(C)(C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360762717 1065840879 /nfs/dbraw/zinc/84/08/79/1065840879.db2.gz KJSCFOWHKVEDAM-UZUQRXQVSA-N 1 0 496.146 4.841 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360763532 1065843205 /nfs/dbraw/zinc/84/32/05/1065843205.db2.gz XSLOQZIHBXEWOG-MHTWAQMVSA-N 1 0 476.065 4.806 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001360763621 1065844097 /nfs/dbraw/zinc/84/40/97/1065844097.db2.gz ZKXICPTVYJWQJH-ZCNNSNEGSA-N 1 0 476.065 4.950 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360764797 1065846436 /nfs/dbraw/zinc/84/64/36/1065846436.db2.gz FMNZOZWZHTVPID-QKNQBKEWSA-N 1 0 487.645 4.784 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001360765024 1065847777 /nfs/dbraw/zinc/84/77/77/1065847777.db2.gz JOUQAMHNTZSVLW-VXKWHMMOSA-N 1 0 485.648 4.585 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001360765329 1065849858 /nfs/dbraw/zinc/84/98/58/1065849858.db2.gz PJFCIXWIIWSWKE-NHCUHLMSSA-N 1 0 466.605 4.853 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1csc(Br)c1)[NH+](C)C ZINC001360765632 1065851227 /nfs/dbraw/zinc/85/12/27/1065851227.db2.gz VWSPZKBPBXIRPV-CABCVRRESA-N 1 0 496.450 4.968 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCSC2)CC1 ZINC001360769721 1065863459 /nfs/dbraw/zinc/86/34/59/1065863459.db2.gz MLXDJFFBMHQPKM-TZIWHRDSSA-N 1 0 475.678 4.867 20 0 JJADRO CC(C)S(=O)(=O)c1ccc(C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001439758651 1065871710 /nfs/dbraw/zinc/87/17/10/1065871710.db2.gz UPDDMMAFVMBRSE-XTEPFMGCSA-N 1 0 476.642 4.657 20 0 JJADRO CC(C)[C@@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001360774162 1065873378 /nfs/dbraw/zinc/87/33/78/1065873378.db2.gz OGRVFAYVDZTVSA-IDISGSTGSA-N 1 0 487.664 4.667 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360774477 1065873431 /nfs/dbraw/zinc/87/34/31/1065873431.db2.gz NJXGVQUMAKFLSE-FGTMMUONSA-N 1 0 469.527 4.820 20 0 JJADRO COCCCOc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1C ZINC001439818922 1065881390 /nfs/dbraw/zinc/88/13/90/1065881390.db2.gz MJJUVJYYQTUFHX-RRPNLBNLSA-N 1 0 458.602 4.808 20 0 JJADRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cnc(Br)c(Cl)c1 ZINC001439818960 1065882366 /nfs/dbraw/zinc/88/23/66/1065882366.db2.gz NDQDMMRUOWDOAV-PZJWPPBQSA-N 1 0 470.798 4.896 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360777942 1065883447 /nfs/dbraw/zinc/88/34/47/1065883447.db2.gz IDFXXEICXLARSY-ZWOKBUDYSA-N 1 0 475.659 4.863 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1(c2ccccc2C)CC1 ZINC001545925740 1065887279 /nfs/dbraw/zinc/88/72/79/1065887279.db2.gz UUUQHBFOTLCRGI-UHFFFAOYSA-N 1 0 494.728 4.795 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(Nc2cnn(C)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360780052 1065888200 /nfs/dbraw/zinc/88/82/00/1065888200.db2.gz DSYUODGCCICKGH-LAUBAEHRSA-N 1 0 455.582 4.545 20 0 JJADRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001439887921 1065889149 /nfs/dbraw/zinc/88/91/49/1065889149.db2.gz GBUWFOQVSWPJGY-HXUWFJFHSA-N 1 0 453.384 4.516 20 0 JJADRO CCCN(C(=O)[C@H]1Cc2cc(Br)ccc2O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001440072228 1065908910 /nfs/dbraw/zinc/90/89/10/1065908910.db2.gz FFFJDYVFLQJWBC-HSZRJFAPSA-N 1 0 457.412 4.656 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3OCc3ccccc3Br)C[C@H]2C1 ZINC001440076149 1065910018 /nfs/dbraw/zinc/91/00/18/1065910018.db2.gz JGYMCBBTUXYYCE-MISYRCLQSA-N 1 0 457.412 4.830 20 0 JJADRO CC1(C)C[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001360801875 1065913365 /nfs/dbraw/zinc/91/33/65/1065913365.db2.gz QWJYVGXWCIQYSV-GOSISDBHSA-N 1 0 485.982 4.736 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccccc1 ZINC001440142744 1065915979 /nfs/dbraw/zinc/91/59/79/1065915979.db2.gz QMHWKVHIMGWZMT-YADARESESA-N 1 0 458.027 4.858 20 0 JJADRO CC(C)(C)[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808285 1065920659 /nfs/dbraw/zinc/92/06/59/1065920659.db2.gz JHTFBIOFPYVZMX-DEOSSOPVSA-N 1 0 467.702 4.827 20 0 JJADRO CC(C)(C)c1nnc(N(Cc2ccccc2)C[C@@H]2CCCO2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360808526 1065921464 /nfs/dbraw/zinc/92/14/64/1065921464.db2.gz OPELFMNBTWIGSV-QHCPKHFHSA-N 1 0 453.675 4.883 20 0 JJADRO CC(C)(C)c1nnc(N(CCO)Cc2ccc(Br)s2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360808755 1065922005 /nfs/dbraw/zinc/92/20/05/1065922005.db2.gz TZPZUPIMWOYZSS-UHFFFAOYSA-N 1 0 498.535 4.521 20 0 JJADRO CC(C)(C)c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360808576 1065922125 /nfs/dbraw/zinc/92/21/25/1065922125.db2.gz PQMIUDOLSQJDBP-UHFFFAOYSA-N 1 0 499.679 4.627 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2cccc(NCc3nc(C)cs3)c2)[NH+]2CCCC2)c1 ZINC001440365449 1065933140 /nfs/dbraw/zinc/93/31/40/1065933140.db2.gz ABFYUNHDJNFXLY-QHCPKHFHSA-N 1 0 450.608 4.639 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)[NH+]2CCCC2)c1 ZINC001440372395 1065933583 /nfs/dbraw/zinc/93/35/83/1065933583.db2.gz MUUUXOBOSGSTNK-OAQYLSRUSA-N 1 0 458.534 4.740 20 0 JJADRO CC1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCS1 ZINC001360821159 1065935026 /nfs/dbraw/zinc/93/50/26/1065935026.db2.gz SHYRZDCXKVMUPT-GOSISDBHSA-N 1 0 498.524 4.821 20 0 JJADRO Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440384542 1065936094 /nfs/dbraw/zinc/93/60/94/1065936094.db2.gz KBCUKYQULLNIMO-JXFKEZNVSA-N 1 0 450.004 4.508 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1cc2c(ccc(Br)c2C)[nH]1)[NH+]1CCCC1 ZINC001440393939 1065938023 /nfs/dbraw/zinc/93/80/23/1065938023.db2.gz WVOHZMHBVIQAAB-OAQYLSRUSA-N 1 0 456.384 4.814 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001360832268 1065943703 /nfs/dbraw/zinc/94/37/03/1065943703.db2.gz IQGDPRMMLAEXIG-SFHVURJKSA-N 1 0 478.106 4.963 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001440509916 1065945373 /nfs/dbraw/zinc/94/53/73/1065945373.db2.gz OEGZDLKCSOLPEH-OEMFJLHTSA-N 1 0 455.643 4.583 20 0 JJADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(I)c(Cl)c1 ZINC001440534499 1065948452 /nfs/dbraw/zinc/94/84/52/1065948452.db2.gz DTYVJYIIHYIHTI-SFHVURJKSA-N 1 0 454.739 4.512 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2(C)CC2)C1 ZINC001360838207 1065949190 /nfs/dbraw/zinc/94/91/90/1065949190.db2.gz GGRRBGWOONVPKP-FQEVSTJZSA-N 1 0 474.694 4.503 20 0 JJADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCCc3ccccc3)n2CC2(C)CCOCC2)CC1 ZINC001360843029 1065951960 /nfs/dbraw/zinc/95/19/60/1065951960.db2.gz BPGWHPWMXSHSQM-UHFFFAOYSA-N 1 0 453.675 4.581 20 0 JJADRO Cc1sc(C)c(Cn2c([C@@H]3CCCCO3)nnc2N2CCC([NH2+]C(C)C)CC2)c1Br ZINC001360848985 1065958435 /nfs/dbraw/zinc/95/84/35/1065958435.db2.gz KVFBUJGLENLCBW-IBGZPJMESA-N 1 0 496.519 4.976 20 0 JJADRO C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001440649063 1065958606 /nfs/dbraw/zinc/95/86/06/1065958606.db2.gz VFKQZVOUDJXGQC-YXGXFIALSA-N 1 0 463.622 4.543 20 0 JJADRO CCc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)[NH+](C)C)cc1 ZINC001440669735 1065961162 /nfs/dbraw/zinc/96/11/62/1065961162.db2.gz ALLUNCQFKWPAPE-NRFANRHFSA-N 1 0 451.592 4.604 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001440669921 1065961372 /nfs/dbraw/zinc/96/13/72/1065961372.db2.gz DPGLCLBXAIUKHN-XMMPIXPASA-N 1 0 453.627 4.691 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(O)c1 ZINC001440677005 1065962881 /nfs/dbraw/zinc/96/28/81/1065962881.db2.gz ARXUMFGLZQIVDG-UHFFFAOYSA-N 1 0 459.974 4.787 20 0 JJADRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)cc1 ZINC001440678366 1065963813 /nfs/dbraw/zinc/96/38/13/1065963813.db2.gz DTFXDEJZCYLDDW-DEOSSOPVSA-N 1 0 451.611 4.819 20 0 JJADRO CO[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(Br)s1 ZINC001440677238 1065963996 /nfs/dbraw/zinc/96/39/96/1065963996.db2.gz DBSXPVHZHICDHL-SFHVURJKSA-N 1 0 457.821 4.632 20 0 JJADRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC001360851364 1065964185 /nfs/dbraw/zinc/96/41/85/1065964185.db2.gz CSNGVLFIMINHGM-JOCHJYFZSA-N 1 0 451.611 4.657 20 0 JJADRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001440679855 1065964957 /nfs/dbraw/zinc/96/49/57/1065964957.db2.gz VXKVLNMVSYCODF-NHCUHLMSSA-N 1 0 455.624 4.883 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H](c2ccco2)[NH+](C)C)o1 ZINC001360851695 1065965497 /nfs/dbraw/zinc/96/54/97/1065965497.db2.gz PMIYITSUAUYLBJ-KRWDZBQOSA-N 1 0 460.376 4.621 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001360851662 1065965671 /nfs/dbraw/zinc/96/56/71/1065965671.db2.gz PAPMMYWQYIZTHX-IBGZPJMESA-N 1 0 474.378 4.859 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001360851831 1065965958 /nfs/dbraw/zinc/96/59/58/1065965958.db2.gz RVROGGWBXYANOV-UHFFFAOYSA-N 1 0 462.823 4.739 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001360853268 1065969048 /nfs/dbraw/zinc/96/90/48/1065969048.db2.gz ILEDSRUESMJFFY-NRFANRHFSA-N 1 0 480.495 4.911 20 0 JJADRO CC1=C(Br)CN(c2nnc(CCc3ccccc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001360854256 1065973206 /nfs/dbraw/zinc/97/32/06/1065973206.db2.gz SXAGGTXAGYQVNU-LJQANCHMSA-N 1 0 472.475 4.674 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001360854391 1065973525 /nfs/dbraw/zinc/97/35/25/1065973525.db2.gz VSUZYNYNPFNVBN-FQEVSTJZSA-N 1 0 488.405 4.783 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360854453 1065973667 /nfs/dbraw/zinc/97/36/67/1065973667.db2.gz ZSYYBYOATUHRSV-AZUAARDMSA-N 1 0 466.468 4.663 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc2c([nH]1)c(Br)ccc2OC)Cc1ccccc1 ZINC001440741955 1065974299 /nfs/dbraw/zinc/97/42/99/1065974299.db2.gz ZUYREHZTYXUOHP-KRWDZBQOSA-N 1 0 458.400 4.622 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CC[NH+]2CCCCC2)c1 ZINC001360857781 1065976021 /nfs/dbraw/zinc/97/60/21/1065976021.db2.gz MHZJYEQKOLVRHS-UHFFFAOYSA-N 1 0 488.474 4.839 20 0 JJADRO CC1=C(Br)CN(c2nnc(COc3ccccc3F)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001360858067 1065977346 /nfs/dbraw/zinc/97/73/46/1065977346.db2.gz XRLGKFFKOSNLJB-UHFFFAOYSA-N 1 0 494.453 4.994 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001360862828 1065981355 /nfs/dbraw/zinc/98/13/55/1065981355.db2.gz XUXXXTUJMGQXES-HXUWFJFHSA-N 1 0 468.690 4.779 20 0 JJADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@H](C)O1 ZINC001440830352 1065982440 /nfs/dbraw/zinc/98/24/40/1065982440.db2.gz TVEGAAOFNPXZRN-JKSBSHDWSA-N 1 0 451.394 4.729 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001360864780 1065983172 /nfs/dbraw/zinc/98/31/72/1065983172.db2.gz IHJJGCMTMUSQJW-WIOPSUGQSA-N 1 0 496.700 4.866 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC001360864998 1065983773 /nfs/dbraw/zinc/98/37/73/1065983773.db2.gz NZNMOOCSJHXLCQ-XMMPIXPASA-N 1 0 492.668 4.989 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC[NH+](C(C)C)C(C)C)c1C ZINC001360865353 1065984173 /nfs/dbraw/zinc/98/41/73/1065984173.db2.gz ZHKHGXQKUMNGEV-UHFFFAOYSA-N 1 0 456.679 4.677 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001360865572 1065984748 /nfs/dbraw/zinc/98/47/48/1065984748.db2.gz DOGLSTUGQDJICA-YMPZKCBVSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCSC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360865766 1065985816 /nfs/dbraw/zinc/98/58/16/1065985816.db2.gz IEVJWBDBDRUCTE-FGZHOGPDSA-N 1 0 457.688 4.853 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H](C)[NH+](C)C)c1C ZINC001360865990 1065986930 /nfs/dbraw/zinc/98/69/30/1065986930.db2.gz KYSHCWFZWQJSRK-PKOBYXMFSA-N 1 0 457.022 4.670 20 0 JJADRO Cc1noc(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001360866680 1065989850 /nfs/dbraw/zinc/98/98/50/1065989850.db2.gz XGNCTUMAEYJEBO-UTKZUKDTSA-N 1 0 466.630 4.759 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccco3)n2C[C@@H](C)C[NH+]2CCCC2)c1C ZINC001360868624 1065992767 /nfs/dbraw/zinc/99/27/67/1065992767.db2.gz JBQHJXIPOMJION-SIKLNZKXSA-N 1 0 451.615 4.996 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)CC1=O ZINC001440911687 1065993418 /nfs/dbraw/zinc/99/34/18/1065993418.db2.gz DAVFBJMFNDWWJB-RBBKRZOGSA-N 1 0 451.636 4.726 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)c1C ZINC001360868922 1065995088 /nfs/dbraw/zinc/99/50/88/1065995088.db2.gz CGLDXYOREJFFGX-ISKFKSNPSA-N 1 0 499.700 4.540 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001360869082 1065995926 /nfs/dbraw/zinc/99/59/26/1065995926.db2.gz MAKIQCLFFKSXQQ-DHIUTWEWSA-N 1 0 477.657 4.582 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001360869534 1065998043 /nfs/dbraw/zinc/99/80/43/1065998043.db2.gz ICSINBDBAGJYOT-OVSMBABESA-N 1 0 483.701 4.874 20 0 JJADRO Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)[C@@H]2c2cccs2)cc1 ZINC001441003456 1065999371 /nfs/dbraw/zinc/99/93/71/1065999371.db2.gz FZOHVTLACKMYAY-SXWKCWPCSA-N 1 0 453.633 4.631 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(C)C)C3)n2CCCC[NH+]2CCOCC2)c1C ZINC001360870221 1066001701 /nfs/dbraw/zinc/00/17/01/1066001701.db2.gz NPXRODRCCSQVEX-DNQXCXABSA-N 1 0 469.674 4.630 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC001360870357 1066001916 /nfs/dbraw/zinc/00/19/16/1066001916.db2.gz XHJIRRLZSHUCEP-QHCPKHFHSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC001360870356 1066001965 /nfs/dbraw/zinc/00/19/65/1066001965.db2.gz XHJIRRLZSHUCEP-HSZRJFAPSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360870568 1066002788 /nfs/dbraw/zinc/00/27/88/1066002788.db2.gz YFEASOLOVHTYQK-VWNXMTODSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CCOC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360871351 1066004746 /nfs/dbraw/zinc/00/47/46/1066004746.db2.gz WLWGPKJFTPEQCV-IFMALSPDSA-N 1 0 457.663 4.771 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CCOC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360871353 1066004779 /nfs/dbraw/zinc/00/47/79/1066004779.db2.gz WLWGPKJFTPEQCV-RBBKRZOGSA-N 1 0 457.663 4.771 20 0 JJADRO CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001441062081 1066004736 /nfs/dbraw/zinc/00/47/36/1066004736.db2.gz RTUZOUWCBXGEIX-DVECYGJZSA-N 1 0 454.590 4.520 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCSCc3nc4ccccc4c(=O)[nH]3)cc2)C1 ZINC001441064652 1066005375 /nfs/dbraw/zinc/00/53/75/1066005375.db2.gz YGBSJXIGUMRLDN-SFHVURJKSA-N 1 0 450.608 4.829 20 0 JJADRO Cc1sc2ncnc(SCC(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)c2c1C ZINC001441064016 1066005413 /nfs/dbraw/zinc/00/54/13/1066005413.db2.gz GGZOQVBODWACRV-UHFFFAOYSA-N 1 0 454.665 4.949 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCCC3)n2CCC[NH+]2CCC(O)CC2)c1C ZINC001360873160 1066008025 /nfs/dbraw/zinc/00/80/25/1066008025.db2.gz CMRATYCYRGEEAI-QHCPKHFHSA-N 1 0 469.674 4.652 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCC4(CCOCC4)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001360873585 1066009677 /nfs/dbraw/zinc/00/96/77/1066009677.db2.gz GNNGHDFVPBQQBZ-QHCPKHFHSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCC4(CCOCC4)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001360873584 1066009781 /nfs/dbraw/zinc/00/97/81/1066009781.db2.gz GNNGHDFVPBQQBZ-HSZRJFAPSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@H]2C)c1C ZINC001360873981 1066011457 /nfs/dbraw/zinc/01/14/57/1066011457.db2.gz JBDHCMWADAHEMV-PRKAKTJASA-N 1 0 483.701 4.897 20 0 JJADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001441189519 1066013483 /nfs/dbraw/zinc/01/34/83/1066013483.db2.gz SQRGSYCGKHCOQQ-MUUNZHRXSA-N 1 0 458.602 4.732 20 0 JJADRO O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001441193290 1066014499 /nfs/dbraw/zinc/01/44/99/1066014499.db2.gz CHPOBPKWSZKRFW-KZNAEPCWSA-N 1 0 450.467 4.967 20 0 JJADRO O=C(CSc1cccc2cccc(Cl)c21)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001441193317 1066014743 /nfs/dbraw/zinc/01/47/43/1066014743.db2.gz CNLRETKELZNJAT-UHFFFAOYSA-N 1 0 454.039 4.914 20 0 JJADRO O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001441193286 1066014774 /nfs/dbraw/zinc/01/47/74/1066014774.db2.gz CHPOBPKWSZKRFW-INDMIFKZSA-N 1 0 450.467 4.967 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccc(F)cn2)c1C ZINC001360874738 1066015121 /nfs/dbraw/zinc/01/51/21/1066015121.db2.gz OIQIWCNZDPVRIT-NRFANRHFSA-N 1 0 480.632 4.928 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC4(C3)CCOCC4)n2CCC[N@@H+](C)C(C)C)c1C ZINC001360875337 1066017242 /nfs/dbraw/zinc/01/72/42/1066017242.db2.gz SNQNRICTWVWYGF-QHCPKHFHSA-N 1 0 469.674 4.772 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)sc2C1 ZINC001441243474 1066019749 /nfs/dbraw/zinc/01/97/49/1066019749.db2.gz SJKVYGLPYLDIGF-UHFFFAOYSA-N 1 0 455.624 4.567 20 0 JJADRO Cc1cccc(COc2cccc(C(=O)NCCC[N@H+]3CCN(C)C[C@@H]3c3ccccc3)c2)c1 ZINC001441247756 1066020222 /nfs/dbraw/zinc/02/02/22/1066020222.db2.gz SXDOYBQXGXAXSM-MUUNZHRXSA-N 1 0 457.618 4.683 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CC[C@H](F)C2)c1C ZINC001360876870 1066021342 /nfs/dbraw/zinc/02/13/42/1066021342.db2.gz CFHCHHGAFWCOKZ-VJBWXMMDSA-N 1 0 457.638 4.951 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCSC(C)C)c1C ZINC001360877343 1066022418 /nfs/dbraw/zinc/02/24/18/1066022418.db2.gz KIOVOGOFUCWZAZ-NRFANRHFSA-N 1 0 457.688 4.709 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(Cl)nc2)c1C ZINC001360877186 1066022602 /nfs/dbraw/zinc/02/26/02/1066022602.db2.gz JNWCHDGQWPFBOO-HXUWFJFHSA-N 1 0 469.033 4.662 20 0 JJADRO CC[NH+]1CCN(CCCNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)CC1 ZINC001441306571 1066024463 /nfs/dbraw/zinc/02/44/63/1066024463.db2.gz FUSDJEIBDMJAFK-UHFFFAOYSA-N 1 0 453.414 4.529 20 0 JJADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 ZINC001441311489 1066024794 /nfs/dbraw/zinc/02/47/94/1066024794.db2.gz LUQQHPFRTUVKGY-UHFFFAOYSA-N 1 0 454.058 4.996 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CCO[C@H]2C(C)C)c1C ZINC001360878063 1066025007 /nfs/dbraw/zinc/02/50/07/1066025007.db2.gz QVJBKBYNKKFUQU-OYRHQHFDSA-N 1 0 469.674 4.626 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCSCC(C)C)c1C ZINC001360878426 1066025813 /nfs/dbraw/zinc/02/58/13/1066025813.db2.gz VDQXCGAEBAROKU-JOCHJYFZSA-N 1 0 459.704 4.955 20 0 JJADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(OCc4ccccc4)cs3)cc2)C[C@H](C)O1 ZINC001441317357 1066026730 /nfs/dbraw/zinc/02/67/30/1066026730.db2.gz GCTXAYQUDAFWBV-PMACEKPBSA-N 1 0 450.604 4.866 20 0 JJADRO O=C(/C=C/CCc1ccccc1)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001441323751 1066028311 /nfs/dbraw/zinc/02/83/11/1066028311.db2.gz OVFWSSNALWMVLO-LHHJGKSTSA-N 1 0 459.556 4.913 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@@H]3C)n2C[C@@H](c2ccsc2)[NH+](C)C)c1C ZINC001360879070 1066028521 /nfs/dbraw/zinc/02/85/21/1066028521.db2.gz FRMFEBAVKZAQGW-DWLFOUALSA-N 1 0 469.655 4.624 20 0 JJADRO Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CCC2=O)cc1C ZINC001441340921 1066030251 /nfs/dbraw/zinc/03/02/51/1066030251.db2.gz IYVDWFJARSZPBZ-URXFXBBRSA-N 1 0 454.014 4.653 20 0 JJADRO CC[C@]1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441343503 1066030940 /nfs/dbraw/zinc/03/09/40/1066030940.db2.gz RAEUWVMKMUHOLN-YKSBVNFPSA-N 1 0 450.023 4.630 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[NH+]2CCCCC2)c1C ZINC001360879676 1066031062 /nfs/dbraw/zinc/03/10/62/1066031062.db2.gz OHOHXNICSVRMQC-YADHBBJMSA-N 1 0 455.647 4.525 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccc(OCC(=O)OC(C)(C)C)c3)cc2)C1 ZINC001441355810 1066033182 /nfs/dbraw/zinc/03/31/82/1066033182.db2.gz OUHMXZLVTOZQCY-FQEVSTJZSA-N 1 0 452.595 4.569 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1 ZINC001441359043 1066034190 /nfs/dbraw/zinc/03/41/90/1066034190.db2.gz UJJGJMRKWNVXHZ-HXUWFJFHSA-N 1 0 455.643 4.999 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(Nc3cnn(C)c3)n2C[C@H](C)C[NH+]2CCCCC2)c1C ZINC001360882040 1066035265 /nfs/dbraw/zinc/03/52/65/1066035265.db2.gz VNLDMXVGOFIDIL-NQIIRXRSSA-N 1 0 451.619 4.634 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001360883036 1066036676 /nfs/dbraw/zinc/03/66/76/1066036676.db2.gz IHAGTLWKSRVMQS-GOSISDBHSA-N 1 0 461.452 4.703 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001360884754 1066038723 /nfs/dbraw/zinc/03/87/23/1066038723.db2.gz FUDVIGBSBBLOJW-QGZVFWFLSA-N 1 0 462.411 4.878 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC001441456779 1066042004 /nfs/dbraw/zinc/04/20/04/1066042004.db2.gz DAXUICIDPPZAJG-UHFFFAOYSA-N 1 0 453.564 4.554 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)C1 ZINC001441457739 1066042041 /nfs/dbraw/zinc/04/20/41/1066042041.db2.gz BMIXVGFTQJMDNM-YHDSQAASSA-N 1 0 453.593 4.880 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cn2c3ccccc3nc2C(F)(F)F)C1 ZINC001441451000 1066042172 /nfs/dbraw/zinc/04/21/72/1066042172.db2.gz SQURXDXDILRIAD-HDICACEKSA-N 1 0 458.528 4.849 20 0 JJADRO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001360892150 1066043909 /nfs/dbraw/zinc/04/39/09/1066043909.db2.gz NDDWPPAOPJNLMA-ZBLYBZFDSA-N 1 0 451.659 4.957 20 0 JJADRO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001360892220 1066043985 /nfs/dbraw/zinc/04/39/85/1066043985.db2.gz POAFDSSNIONRQW-JOCHJYFZSA-N 1 0 451.659 4.958 20 0 JJADRO CC1=C(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001360892624 1066044886 /nfs/dbraw/zinc/04/48/86/1066044886.db2.gz GJVXAGKJSWSQAF-ILBGXUMGSA-N 1 0 481.685 4.732 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cc2)C1 ZINC001441478824 1066045578 /nfs/dbraw/zinc/04/55/78/1066045578.db2.gz IWKATPXYHPILEN-NCNNEKRASA-N 1 0 460.540 4.963 20 0 JJADRO CCCc1c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)nnn1-c1cccc(Cl)c1 ZINC001360894904 1066047693 /nfs/dbraw/zinc/04/76/93/1066047693.db2.gz LFKSFVCCVLSALC-UHFFFAOYSA-N 1 0 450.974 4.642 20 0 JJADRO Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)cc2)cc1 ZINC001441525855 1066048269 /nfs/dbraw/zinc/04/82/69/1066048269.db2.gz UBLGCRKMSZHCBQ-UPVQGACJSA-N 1 0 451.611 4.529 20 0 JJADRO Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)sc1C ZINC001360895807 1066048871 /nfs/dbraw/zinc/04/88/71/1066048871.db2.gz MPJSETGLXWYWDN-IBGZPJMESA-N 1 0 486.661 4.794 20 0 JJADRO Cc1nc([C@H]2CCCN(c3nnc([C@@H]4CCCCO4)n3CC(C)(C)C[NH+](C)C)C2)sc1C ZINC001360896142 1066049710 /nfs/dbraw/zinc/04/97/10/1066049710.db2.gz VHVGPQGAUWNGOO-PMACEKPBSA-N 1 0 460.692 4.565 20 0 JJADRO Cc1nc([C@H]2CCCN(c3nnc(CCc4ccccc4)n3CC[N@@H+](C)C(C)C)C2)sc1C ZINC001360896115 1066049865 /nfs/dbraw/zinc/04/98/65/1066049865.db2.gz UVQUOPWUHLFERO-QHCPKHFHSA-N 1 0 466.699 4.861 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1 ZINC001441561675 1066051156 /nfs/dbraw/zinc/05/11/56/1066051156.db2.gz OJFUUUMZAAENAZ-OIHNEICTSA-N 1 0 454.574 4.866 20 0 JJADRO Cc1nc(CCn2c(-c3ccccc3Br)nnc2N2CC[NH+](C(C)C)CC2)sc1C ZINC001360898374 1066051151 /nfs/dbraw/zinc/05/11/51/1066051151.db2.gz PXMWTVLJWYPQEW-UHFFFAOYSA-N 1 0 489.487 4.554 20 0 JJADRO CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001441560723 1066051291 /nfs/dbraw/zinc/05/12/91/1066051291.db2.gz NLIFYHWDMKEDBH-YADARESESA-N 1 0 454.590 4.663 20 0 JJADRO Cc1nc(CCn2c(CCCc3ccccc3)nnc2N2CCC[N@@H+](C(C)C)CC2)sc1C ZINC001360898956 1066052233 /nfs/dbraw/zinc/05/22/33/1066052233.db2.gz FXKGPSMOBBFECQ-UHFFFAOYSA-N 1 0 466.699 4.690 20 0 JJADRO Cc1nc(CCn2c(CC(C)C)nnc2N2CCC[N@H+](Cc3ccc(F)cc3)CC2)sc1C ZINC001360899677 1066053128 /nfs/dbraw/zinc/05/31/28/1066053128.db2.gz QUNVHTZAAQDGSY-UHFFFAOYSA-N 1 0 470.662 4.644 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)[C@@]3(F)CCN(C(=O)OCc4ccccc4)C3)cc2)CC1 ZINC001441611392 1066053682 /nfs/dbraw/zinc/05/36/82/1066053682.db2.gz KJTHVLVHKJJWFA-AREMUKBSSA-N 1 0 453.558 4.608 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2[C@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)c1 ZINC001441625006 1066055835 /nfs/dbraw/zinc/05/58/35/1066055835.db2.gz SGSSUDLFNYOQMW-SGNDLWITSA-N 1 0 457.659 4.960 20 0 JJADRO Cc1nc(Cn2c(COc3ccccc3F)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)sc1C ZINC001360904709 1066058265 /nfs/dbraw/zinc/05/82/65/1066058265.db2.gz CUAPCZDITWQOFK-UHFFFAOYSA-N 1 0 486.661 4.674 20 0 JJADRO Cc1nc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)sc1C ZINC001360904816 1066058350 /nfs/dbraw/zinc/05/83/50/1066058350.db2.gz GDTMUOCPGUNVAX-FYYLOGMGSA-N 1 0 488.746 4.875 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC2CCOCC2)n1CCC[N@@H+](C)C(C)C ZINC001360908185 1066063280 /nfs/dbraw/zinc/06/32/80/1066063280.db2.gz FDZUFUUWNHZGKL-UHFFFAOYSA-N 1 0 482.698 4.970 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCOC(C)(C)C)n1C[C@H](C)[NH+](C)C ZINC001360909065 1066065183 /nfs/dbraw/zinc/06/51/83/1066065183.db2.gz WWOHSNRQYVYTCT-KRWDZBQOSA-N 1 0 456.660 4.578 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H]2CCOC2)n1CCC[N@@H+](C)C(C)C ZINC001360909194 1066065367 /nfs/dbraw/zinc/06/53/67/1066065367.db2.gz XSBKHABGAIXOTB-HXUWFJFHSA-N 1 0 468.671 4.580 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001360909491 1066065615 /nfs/dbraw/zinc/06/56/15/1066065615.db2.gz SYLWJOCVLHMJLV-VMODYCNZSA-N 1 0 455.643 4.537 20 0 JJADRO CC(C)(C)[NH+]1CCC(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001441814509 1066072618 /nfs/dbraw/zinc/07/26/18/1066072618.db2.gz GXHPKTJOIMMBNI-UHFFFAOYSA-N 1 0 455.002 4.648 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)Cc1ccccc1OCc1ccncc1)[NH+]1CCCCC1 ZINC001441880140 1066076729 /nfs/dbraw/zinc/07/67/29/1066076729.db2.gz FACLGPVGQCTYCY-VWLOTQADSA-N 1 0 459.590 4.555 20 0 JJADRO Cc1ncsc1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)C)CC1 ZINC001360920609 1066077250 /nfs/dbraw/zinc/07/72/50/1066077250.db2.gz ZALWHKVWGFQVNH-UHFFFAOYSA-N 1 0 465.454 4.790 20 0 JJADRO Cc1ncsc1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360924632 1066080601 /nfs/dbraw/zinc/08/06/01/1066080601.db2.gz SYLHJDIIBLUVEP-UHFFFAOYSA-N 1 0 473.090 4.841 20 0 JJADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001360928947 1066084676 /nfs/dbraw/zinc/08/46/76/1066084676.db2.gz SEFXXTLIISDWQW-BJKOFHAPSA-N 1 0 451.611 4.938 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001360929452 1066085276 /nfs/dbraw/zinc/08/52/76/1066085276.db2.gz FXRGAHGEYQAYLN-INIZCTEOSA-N 1 0 489.487 4.841 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)C[NH+](C)C ZINC001360930635 1066087392 /nfs/dbraw/zinc/08/73/92/1066087392.db2.gz VRULQNOPXOCUNJ-UHFFFAOYSA-N 1 0 477.476 4.697 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001360931978 1066088561 /nfs/dbraw/zinc/08/85/61/1066088561.db2.gz ASOWEVIGOORIPK-UHFFFAOYSA-N 1 0 489.487 4.983 20 0 JJADRO CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001442068965 1066089519 /nfs/dbraw/zinc/08/95/19/1066089519.db2.gz FOXFMOCLOOOSPJ-IERDGZPVSA-N 1 0 453.384 4.690 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001360932362 1066089682 /nfs/dbraw/zinc/08/96/82/1066089682.db2.gz LUASFFFJZALNJV-FQEVSTJZSA-N 1 0 475.435 4.694 20 0 JJADRO CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001442068975 1066089752 /nfs/dbraw/zinc/08/97/52/1066089752.db2.gz FOXFMOCLOOOSPJ-KKSFZXQISA-N 1 0 453.384 4.690 20 0 JJADRO CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001442078440 1066090570 /nfs/dbraw/zinc/09/05/70/1066090570.db2.gz SLMINMKPTMVHFO-AUSIDOKSSA-N 1 0 452.599 4.655 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc3cncc(Br)c3n2)c2ccccc2)CC1 ZINC001442081210 1066091384 /nfs/dbraw/zinc/09/13/84/1066091384.db2.gz WUKYAPNMUGMBPO-OAQYLSRUSA-N 1 0 453.384 4.595 20 0 JJADRO CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001442082536 1066091659 /nfs/dbraw/zinc/09/16/59/1066091659.db2.gz ZPKINUGZZDVGAQ-NFBKMPQASA-N 1 0 459.594 4.840 20 0 JJADRO CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001442082571 1066091916 /nfs/dbraw/zinc/09/19/16/1066091916.db2.gz ZPKINUGZZDVGAQ-OFNKIYASSA-N 1 0 459.594 4.840 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360934608 1066092770 /nfs/dbraw/zinc/09/27/70/1066092770.db2.gz FWKKTQLSKCHSEW-HXUWFJFHSA-N 1 0 496.500 4.744 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001442110179 1066094599 /nfs/dbraw/zinc/09/45/99/1066094599.db2.gz AHSOSORZLFKGIU-ZEQRLZLVSA-N 1 0 457.659 4.879 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360935556 1066095213 /nfs/dbraw/zinc/09/52/13/1066095213.db2.gz OVWBHLCYMAIRJR-SFHVURJKSA-N 1 0 457.003 4.896 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CCCC[C@H]12 ZINC001442111508 1066095313 /nfs/dbraw/zinc/09/53/13/1066095313.db2.gz QKLDYMCPCQPRHC-WNCULLNHSA-N 1 0 455.643 4.585 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001442111902 1066095623 /nfs/dbraw/zinc/09/56/23/1066095623.db2.gz UVOKGOMOZCQWSQ-UHFFFAOYSA-N 1 0 458.650 4.818 20 0 JJADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC001442129977 1066097153 /nfs/dbraw/zinc/09/71/53/1066097153.db2.gz CMVIKLYPQFIKNK-OAQYLSRUSA-N 1 0 451.611 4.609 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1CCCC[NH+]1CCC(C)CC1 ZINC001360946026 1066100666 /nfs/dbraw/zinc/10/06/66/1066100666.db2.gz AGUJPTXJYLSOGR-UHFFFAOYSA-N 1 0 458.701 4.844 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(CCc2ccccc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360947429 1066102428 /nfs/dbraw/zinc/10/24/28/1066102428.db2.gz LRKCEDVAAONFSS-FQEVSTJZSA-N 1 0 466.680 4.829 20 0 JJADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC001442219800 1066103721 /nfs/dbraw/zinc/10/37/21/1066103721.db2.gz GIMZGHUTTZSTHB-OAQYLSRUSA-N 1 0 455.400 4.559 20 0 JJADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001442227074 1066104360 /nfs/dbraw/zinc/10/43/60/1066104360.db2.gz SSKCLXBQXGOTAP-PXDATVDWSA-N 1 0 452.639 4.952 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001360949521 1066105597 /nfs/dbraw/zinc/10/55/97/1066105597.db2.gz JVUTVJVFGBLBNE-NRFANRHFSA-N 1 0 472.634 4.518 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001360949630 1066106292 /nfs/dbraw/zinc/10/62/92/1066106292.db2.gz NERWIQCTSIBDHA-KRWDZBQOSA-N 1 0 475.062 4.644 20 0 JJADRO CCc1c(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cnn1CC(C)C ZINC001360951917 1066108515 /nfs/dbraw/zinc/10/85/15/1066108515.db2.gz NHZIYDGLWNIMLX-FQEVSTJZSA-N 1 0 450.549 4.628 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C1 ZINC001442253951 1066108915 /nfs/dbraw/zinc/10/89/15/1066108915.db2.gz LRSPFFRYNINVAR-IRXDYDNUSA-N 1 0 455.603 4.621 20 0 JJADRO O=C(c1csc([C@@H]2CCCO2)n1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360952195 1066109159 /nfs/dbraw/zinc/10/91/59/1066109159.db2.gz YPVNCGBXVRNFNC-HKUYNNGSSA-N 1 0 453.530 4.521 20 0 JJADRO COc1ccc(CCC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1F ZINC001360952132 1066109166 /nfs/dbraw/zinc/10/91/66/1066109166.db2.gz WPGFNUCGTATZCZ-FQEVSTJZSA-N 1 0 452.492 4.680 20 0 JJADRO COc1ccc(CCC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1F ZINC001360952133 1066109228 /nfs/dbraw/zinc/10/92/28/1066109228.db2.gz WPGFNUCGTATZCZ-HXUWFJFHSA-N 1 0 452.492 4.680 20 0 JJADRO CC(C)(CNC(=O)c1cc(Br)cc(N2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC001442332311 1066116953 /nfs/dbraw/zinc/11/69/53/1066116953.db2.gz OAONIRKNTNHIBJ-UHFFFAOYSA-N 1 0 456.428 4.616 20 0 JJADRO C[C@@H](CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442330455 1066117126 /nfs/dbraw/zinc/11/71/26/1066117126.db2.gz CXUUSVNTZXKUFM-FQEVSTJZSA-N 1 0 457.659 4.613 20 0 JJADRO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001545948563 1066120338 /nfs/dbraw/zinc/12/03/38/1066120338.db2.gz SXYCKUCZRJVNFV-VWNXMTODSA-N 1 0 466.674 4.894 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCOc1ccccc1Br ZINC001360961125 1066120663 /nfs/dbraw/zinc/12/06/63/1066120663.db2.gz ARZWSILICFRZDO-NRFANRHFSA-N 1 0 459.428 4.979 20 0 JJADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC001442393860 1066123711 /nfs/dbraw/zinc/12/37/11/1066123711.db2.gz ITJNXCDMDGIURK-QHCPKHFHSA-N 1 0 457.412 4.690 20 0 JJADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)c(F)c(Br)c(F)c1F ZINC001442474321 1066129804 /nfs/dbraw/zinc/12/98/04/1066129804.db2.gz XUHDFVCWIFOBFB-CYBMUJFWSA-N 1 0 459.281 4.648 20 0 JJADRO Cc1csc(CNc2cccc(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)c2)n1 ZINC001442550124 1066136155 /nfs/dbraw/zinc/13/61/55/1066136155.db2.gz RHGLNASEZWVBCI-UHFFFAOYSA-N 1 0 452.649 4.907 20 0 JJADRO Cc1c(Cn2c(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)nnc2C(C)(C)C)cnn1CC(C)C ZINC001360978923 1066137059 /nfs/dbraw/zinc/13/70/59/1066137059.db2.gz GVAKOQJNNWANPP-QHCPKHFHSA-N 1 0 469.722 4.877 20 0 JJADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001442570892 1066139508 /nfs/dbraw/zinc/13/95/08/1066139508.db2.gz BWRKNVPXRIODFU-UHFFFAOYSA-N 1 0 451.430 4.696 20 0 JJADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(Cl)ccc2Sc2ccccc2)CC1 ZINC001442573000 1066139588 /nfs/dbraw/zinc/13/95/88/1066139588.db2.gz QDRGFRVNSFXCJF-UHFFFAOYSA-N 1 0 453.011 4.568 20 0 JJADRO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC001442573819 1066140279 /nfs/dbraw/zinc/14/02/79/1066140279.db2.gz TYGAYRLYHKZSJN-QHCPKHFHSA-N 1 0 450.627 4.763 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cnc2ccccc2c1C(F)(F)F ZINC001360983180 1066143090 /nfs/dbraw/zinc/14/30/90/1066143090.db2.gz ICQRBRACOZEPKB-UHFFFAOYSA-N 1 0 458.484 4.656 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001360983661 1066143939 /nfs/dbraw/zinc/14/39/39/1066143939.db2.gz DQCXBRPUPDJRLK-PMACEKPBSA-N 1 0 468.690 4.850 20 0 JJADRO CC[C@H](Cn1c(C(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1)Oc1ccccc1F ZINC001545950499 1066146288 /nfs/dbraw/zinc/14/62/88/1066146288.db2.gz QTMKSJYKFCRRGP-HXUWFJFHSA-N 1 0 471.646 4.824 20 0 JJADRO Cn1nc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c(Br)c1C(F)(F)F ZINC001442623609 1066146365 /nfs/dbraw/zinc/14/63/65/1066146365.db2.gz KKLMOWNFXLXTLX-UHFFFAOYSA-N 1 0 459.310 4.830 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001360985610 1066148462 /nfs/dbraw/zinc/14/84/62/1066148462.db2.gz GVFWZUWJRHYVGY-HXUWFJFHSA-N 1 0 466.674 4.749 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccnc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001360985675 1066148508 /nfs/dbraw/zinc/14/85/08/1066148508.db2.gz IRDCPCDJYYAWBF-FQEVSTJZSA-N 1 0 489.668 4.542 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccnc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001360985676 1066149081 /nfs/dbraw/zinc/14/90/81/1066149081.db2.gz IRDCPCDJYYAWBF-HXUWFJFHSA-N 1 0 489.668 4.542 20 0 JJADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC001442666947 1066149434 /nfs/dbraw/zinc/14/94/34/1066149434.db2.gz QHZDTYJSFKHKAX-LVCYWYKZSA-N 1 0 457.665 4.956 20 0 JJADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC001442669324 1066150012 /nfs/dbraw/zinc/15/00/12/1066150012.db2.gz SDBSTBJTBSDVTC-LZWOXQAQSA-N 1 0 450.352 4.721 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001360986584 1066152610 /nfs/dbraw/zinc/15/26/10/1066152610.db2.gz HHJMFVWSRPDQTD-HSZRJFAPSA-N 1 0 480.701 4.967 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccccn2)n1C[C@@H](C)[NH+](C)C ZINC001360986634 1066153209 /nfs/dbraw/zinc/15/32/09/1066153209.db2.gz ITFJNPFOICCEOU-MOPGFXCFSA-N 1 0 457.022 4.670 20 0 JJADRO Cc1c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)c(F)c3)[nH]c2ccc1Br ZINC001442718565 1066155304 /nfs/dbraw/zinc/15/53/04/1066155304.db2.gz FBTPZVVPDJUIDY-UHFFFAOYSA-N 1 0 450.327 4.721 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360986957 1066155981 /nfs/dbraw/zinc/15/59/81/1066155981.db2.gz QCBYWSNUYFBGDT-HMXCVIKNSA-N 1 0 488.032 4.809 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1 ZINC001442730388 1066156057 /nfs/dbraw/zinc/15/60/57/1066156057.db2.gz USZBLBJAPLYVQU-UHFFFAOYSA-N 1 0 455.484 4.781 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@H]2CCOC2)n1CC[NH+]1CCC(C)CC1 ZINC001360987243 1066158033 /nfs/dbraw/zinc/15/80/33/1066158033.db2.gz VXPQDSDYYNXGAU-FCHUYYIVSA-N 1 0 490.092 4.893 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001360989228 1066159820 /nfs/dbraw/zinc/15/98/20/1066159820.db2.gz BCZPZJMQILIAIL-UXHICEINSA-N 1 0 476.065 4.524 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CO)CC2)n1CCC[NH+]1CCCCC1 ZINC001360989780 1066163777 /nfs/dbraw/zinc/16/37/77/1066163777.db2.gz KPSDGGOINDVVCD-OAQYLSRUSA-N 1 0 490.092 4.773 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360990200 1066166226 /nfs/dbraw/zinc/16/62/26/1066166226.db2.gz QYDPZJVUQPTWRX-MXEMCNAFSA-N 1 0 476.065 4.786 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](C)C2)n1CCOCC[NH+](C)C ZINC001360990433 1066167525 /nfs/dbraw/zinc/16/75/25/1066167525.db2.gz VMEQCSAGCTWZBG-XLIONFOSSA-N 1 0 464.054 4.503 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360992682 1066172007 /nfs/dbraw/zinc/17/20/07/1066172007.db2.gz QYDPZJVUQPTWRX-CGXNFDGLSA-N 1 0 476.065 4.786 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CCCC[NH+]3CCC(C)CC3)CC2)c(C)o1 ZINC001360994190 1066173609 /nfs/dbraw/zinc/17/36/09/1066173609.db2.gz CAHYQRFPOJLVDC-UHFFFAOYSA-N 1 0 498.716 4.696 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)CC2)c(C)o1 ZINC001360994579 1066173814 /nfs/dbraw/zinc/17/38/14/1066173814.db2.gz RLNWDNWUMTZCND-XMMPIXPASA-N 1 0 484.689 4.521 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC001360996176 1066174852 /nfs/dbraw/zinc/17/48/52/1066174852.db2.gz CXIOWDBBGCJGNY-KNQAVFIVSA-N 1 0 455.624 4.859 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)CCCOc2ccccc2Br)[C@@H]1c1cccs1 ZINC001360996028 1066174887 /nfs/dbraw/zinc/17/48/87/1066174887.db2.gz BAXNMTFSMPNLMC-IIBYNOLFSA-N 1 0 451.430 4.869 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)CCCOc2ccccc2Br)[C@@H]1c1cccs1 ZINC001360996025 1066174904 /nfs/dbraw/zinc/17/49/04/1066174904.db2.gz BAXNMTFSMPNLMC-HRAATJIYSA-N 1 0 451.430 4.869 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)[C@@H]1c1cccs1 ZINC001360996944 1066175479 /nfs/dbraw/zinc/17/54/79/1066175479.db2.gz XAWVZZCJAPIKLU-FCEUIQTBSA-N 1 0 457.640 4.588 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H](C)c2cccc(C)c2)n1 ZINC001361008578 1066189765 /nfs/dbraw/zinc/18/97/65/1066189765.db2.gz YODUBABKJAPRRY-QFIPXVFZSA-N 1 0 477.701 4.808 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC001361014437 1066200597 /nfs/dbraw/zinc/20/05/97/1066200597.db2.gz NRSUTWYJWXMDJI-ZEQRLZLVSA-N 1 0 496.700 4.640 20 0 JJADRO Cc1cc(C)cc(CCn2c([C@H]3CCCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001361017359 1066206326 /nfs/dbraw/zinc/20/63/26/1066206326.db2.gz QWWJOQGHBLWHRX-DEOSSOPVSA-N 1 0 453.675 4.590 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCSC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361018321 1066207875 /nfs/dbraw/zinc/20/78/75/1066207875.db2.gz LCJBXSIIKPMETQ-YADHBBJMSA-N 1 0 457.688 4.536 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361018848 1066208539 /nfs/dbraw/zinc/20/85/39/1066208539.db2.gz UEAXRETTXQXOPY-CPJSRVTESA-N 1 0 469.655 4.702 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CC(F)(F)F)n2CC2([NH+]3CCSCC3)CCCC2)c1 ZINC001361020847 1066211978 /nfs/dbraw/zinc/21/19/78/1066211978.db2.gz KDFSWECOCJMEOU-UHFFFAOYSA-N 1 0 497.631 4.834 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361022626 1066218707 /nfs/dbraw/zinc/21/87/07/1066218707.db2.gz WURKNOBPJYNDAN-DNQXCXABSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361023749 1066220192 /nfs/dbraw/zinc/22/01/92/1066220192.db2.gz CMYKHTQNKZHVBS-OFNKIYASSA-N 1 0 483.701 4.988 20 0 JJADRO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001442834621 1066229034 /nfs/dbraw/zinc/22/90/34/1066229034.db2.gz CUVKKMDQLHAROK-UKILVPOCSA-N 1 0 455.440 4.894 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)/C=C/c3csc(C(F)(F)F)c3)C2)ccn1 ZINC001454006746 1066232931 /nfs/dbraw/zinc/23/29/31/1066232931.db2.gz BTBQLUJBONUYAO-PXPVJAHISA-N 1 0 453.530 4.695 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001361028542 1066233449 /nfs/dbraw/zinc/23/34/49/1066233449.db2.gz KQIICMLLJGYVAS-RJGXRXQPSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1cc(O[C@H](C)C(=O)N2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015138 1066234670 /nfs/dbraw/zinc/23/46/70/1066234670.db2.gz QQXPLLPQVLSHJL-PXDATVDWSA-N 1 0 453.627 4.801 20 0 JJADRO Cc1cc(O[C@H](C)C(=O)N2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015098 1066234792 /nfs/dbraw/zinc/23/47/92/1066234792.db2.gz QQXPLLPQVLSHJL-BWKNWUBXSA-N 1 0 453.627 4.801 20 0 JJADRO Cc1cc(O[C@@H](C)C(=O)N2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015130 1066234909 /nfs/dbraw/zinc/23/49/09/1066234909.db2.gz QQXPLLPQVLSHJL-OFVILXPXSA-N 1 0 453.627 4.801 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361029090 1066236128 /nfs/dbraw/zinc/23/61/28/1066236128.db2.gz YTLVROQKZYHZGI-SZPZYZBQSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001361031277 1066240836 /nfs/dbraw/zinc/24/08/36/1066240836.db2.gz MYJWAEMQMCBJCB-ILBGXUMGSA-N 1 0 483.701 4.846 20 0 JJADRO CC[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)C[C@H](C)[NH2+]1 ZINC001454061300 1066241947 /nfs/dbraw/zinc/24/19/47/1066241947.db2.gz BUDGIBMYDVMAMZ-SIKLNZKXSA-N 1 0 477.678 4.923 20 0 JJADRO CC[C@@]1(C)CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[N@@H+](C(C)C)CC2)O1 ZINC001546057622 1066243500 /nfs/dbraw/zinc/24/35/00/1066243500.db2.gz VJTGTGVIGIPOMY-SQHAQQRYSA-N 1 0 453.675 4.722 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCCCCCC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001361032177 1066245592 /nfs/dbraw/zinc/24/55/92/1066245592.db2.gz MTIWVSJQNWQFCV-DEOSSOPVSA-N 1 0 469.674 4.745 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC001454114018 1066246885 /nfs/dbraw/zinc/24/68/85/1066246885.db2.gz CUUGSBSKNGFXNQ-UHFFFAOYSA-N 1 0 455.400 4.841 20 0 JJADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)CC1 ZINC001454154523 1066250587 /nfs/dbraw/zinc/25/05/87/1066250587.db2.gz YEFFLUBKNVXUTH-ICWYETALSA-N 1 0 453.454 4.791 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCC(F)(F)C2)c1 ZINC001361035182 1066253077 /nfs/dbraw/zinc/25/30/77/1066253077.db2.gz AFCHMICSKUDJFI-NRFANRHFSA-N 1 0 461.601 4.687 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361038691 1066257725 /nfs/dbraw/zinc/25/77/25/1066257725.db2.gz MUMFNCDJVLDQSI-DEOSSOPVSA-N 1 0 471.690 4.844 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361038698 1066257896 /nfs/dbraw/zinc/25/78/96/1066257896.db2.gz MXVIHLHRRSDBIU-FQEVSTJZSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361038966 1066259095 /nfs/dbraw/zinc/25/90/95/1066259095.db2.gz UJUMGRTWRVJEJH-QFIPXVFZSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001454271569 1066262317 /nfs/dbraw/zinc/26/23/17/1066262317.db2.gz VWODTDKLZVVFPH-NDEPHWFRSA-N 1 0 452.639 4.547 20 0 JJADRO Cc1cc(C)cc(OCCn2c(CC(C)(C)C)nnc2N2CC[NH+](CCc3cccs3)CC2)c1 ZINC001361041966 1066264937 /nfs/dbraw/zinc/26/49/37/1066264937.db2.gz OVBBRDVWZUFITJ-UHFFFAOYSA-N 1 0 481.710 4.989 20 0 JJADRO Cc1cccc(COc2ccc([C@@H](C)NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)cc2)c1 ZINC001443093292 1066266130 /nfs/dbraw/zinc/26/61/30/1066266130.db2.gz AOWQAZCXRWQXQX-HSZRJFAPSA-N 1 0 457.618 4.812 20 0 JJADRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308026 1066267721 /nfs/dbraw/zinc/26/77/21/1066267721.db2.gz DKQZMYNPYDXOJO-WUFINQPMSA-N 1 0 459.609 4.726 20 0 JJADRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308004 1066267988 /nfs/dbraw/zinc/26/79/88/1066267988.db2.gz DKQZMYNPYDXOJO-IZLXSDGUSA-N 1 0 459.609 4.726 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 ZINC001443101927 1066268775 /nfs/dbraw/zinc/26/87/75/1066268775.db2.gz JJDRVWYNEAAASF-UHFFFAOYSA-N 1 0 458.393 4.558 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001546059695 1066268984 /nfs/dbraw/zinc/26/89/84/1066268984.db2.gz OMIQWIRDDOVFAL-AREMUKBSSA-N 1 0 452.647 4.650 20 0 JJADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cnn(-c2ccccc2)c1Br ZINC001443152202 1066274285 /nfs/dbraw/zinc/27/42/85/1066274285.db2.gz AQECLSDKZIAQPS-NRFANRHFSA-N 1 0 453.384 4.592 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001361048327 1066277030 /nfs/dbraw/zinc/27/70/30/1066277030.db2.gz VKCZFIRIPWVQGK-AGILITTLSA-N 1 0 457.659 4.877 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396023 1066277551 /nfs/dbraw/zinc/27/75/51/1066277551.db2.gz BGETZDSLOJZXBZ-DNVCBOLYSA-N 1 0 454.924 4.583 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001361048545 1066277926 /nfs/dbraw/zinc/27/79/26/1066277926.db2.gz XKXOVVYDICZBQX-KAMZKSLDSA-N 1 0 457.659 4.877 20 0 JJADRO Cc1cc(-c2nnc(N(C)CCOC(C)(C)C)n2CC[NH+]2CCCCCC2)c2ccccc2n1 ZINC001361049263 1066281246 /nfs/dbraw/zinc/28/12/46/1066281246.db2.gz YFLFPJKOQFTLEC-UHFFFAOYSA-N 1 0 464.658 4.929 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC001546061539 1066281467 /nfs/dbraw/zinc/28/14/67/1066281467.db2.gz BQQDBUQIVOPIST-IXGWMPLNSA-N 1 0 475.703 4.773 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546061583 1066282076 /nfs/dbraw/zinc/28/20/76/1066282076.db2.gz BZILEZGXMLIHRI-XCBFCAQUSA-N 1 0 473.637 4.683 20 0 JJADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001443219207 1066282275 /nfs/dbraw/zinc/28/22/75/1066282275.db2.gz SYEWTZMLZXVYFJ-LBPRGKRZSA-N 1 0 452.855 4.639 20 0 JJADRO Cc1cc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@](C)(O)C(C)C)c2ccccc2n1 ZINC001361049821 1066283555 /nfs/dbraw/zinc/28/35/55/1066283555.db2.gz PMTVQVNQXQQOQJ-MUUNZHRXSA-N 1 0 478.685 4.765 20 0 JJADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC001361049891 1066283741 /nfs/dbraw/zinc/28/37/41/1066283741.db2.gz DBMOVXWUIYDLIB-UHFFFAOYSA-N 1 0 459.333 4.594 20 0 JJADRO Cc1cc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2n1 ZINC001361049850 1066283799 /nfs/dbraw/zinc/28/37/99/1066283799.db2.gz PVASPKURKNLKSZ-SFHVURJKSA-N 1 0 456.585 4.871 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)c1 ZINC001443241107 1066283777 /nfs/dbraw/zinc/28/37/77/1066283777.db2.gz UHGYAGDYJMZTMQ-UHFFFAOYSA-N 1 0 450.652 4.987 20 0 JJADRO Cc1cc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCC(C)(C)O)c2ccccc2n1 ZINC001361050392 1066285004 /nfs/dbraw/zinc/28/50/04/1066285004.db2.gz YISXWDSGBHIXOB-UHFFFAOYSA-N 1 0 464.658 4.521 20 0 JJADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC001443260661 1066286461 /nfs/dbraw/zinc/28/64/61/1066286461.db2.gz FPLSSWSSCFUKNE-XLIONFOSSA-N 1 0 457.416 4.528 20 0 JJADRO COc1cccc(OCCC(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001443264320 1066286659 /nfs/dbraw/zinc/28/66/59/1066286659.db2.gz JAUATHNGDAVWGS-UHFFFAOYSA-N 1 0 450.501 4.606 20 0 JJADRO Cc1nnc(-c2cccc(C(=O)N3CCC([N@H+](C)Cc4cccc(C(F)(F)F)c4)CC3)c2)o1 ZINC001443264961 1066287114 /nfs/dbraw/zinc/28/71/14/1066287114.db2.gz KIKOCBLGIMYFBM-UHFFFAOYSA-N 1 0 458.484 4.800 20 0 JJADRO Cc1c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001443265717 1066287141 /nfs/dbraw/zinc/28/71/41/1066287141.db2.gz PHJFDEYXARDADR-INIZCTEOSA-N 1 0 459.516 4.513 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)C[C@H]1CC)[NH+]1CCCC1 ZINC001545956340 1066287225 /nfs/dbraw/zinc/28/72/25/1066287225.db2.gz AMSFZNVNEBKSCG-QXAKKESOSA-N 1 0 463.468 4.545 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@@H](SC)C1)[NH+]1CCCC1 ZINC001545956690 1066289863 /nfs/dbraw/zinc/28/98/63/1066289863.db2.gz HJBJFMHRQSLLST-RBUKOAKNSA-N 1 0 495.535 4.642 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCC[NH+]2CCCCC2)no1 ZINC001361054784 1066291240 /nfs/dbraw/zinc/29/12/40/1066291240.db2.gz FXLLKJBWTZUDFS-UHFFFAOYSA-N 1 0 473.419 4.516 20 0 JJADRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1 ZINC001454509939 1066295191 /nfs/dbraw/zinc/29/51/91/1066295191.db2.gz DLKJPMCLYSJTIY-UHFFFAOYSA-N 1 0 455.396 4.771 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(CC)C1)[NH+]1CCCC1 ZINC001545957102 1066296689 /nfs/dbraw/zinc/29/66/89/1066296689.db2.gz OYSGLUWUOYTKBE-PGRDOPGGSA-N 1 0 463.468 4.547 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(CC)C1)[NH+]1CCCC1 ZINC001545957101 1066296749 /nfs/dbraw/zinc/29/67/49/1066296749.db2.gz OYSGLUWUOYTKBE-GCJKJVERSA-N 1 0 463.468 4.547 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1)c1cccc(C(F)(F)F)c1 ZINC001454540303 1066297992 /nfs/dbraw/zinc/29/79/92/1066297992.db2.gz RJWIVRPGBYLWAC-CQSZACIVSA-N 1 0 458.506 4.542 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545957463 1066302112 /nfs/dbraw/zinc/30/21/12/1066302112.db2.gz WQOHUMSEOCVZTI-IEBWSBKVSA-N 1 0 477.495 4.793 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1ccc(Cl)c(Cl)c1 ZINC001454573391 1066303202 /nfs/dbraw/zinc/30/32/02/1066303202.db2.gz CSNLJFFOYFCWSK-KRWDZBQOSA-N 1 0 456.370 4.644 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)no1 ZINC001361064526 1066303581 /nfs/dbraw/zinc/30/35/81/1066303581.db2.gz HVOVMAUBPBMZQR-IBGZPJMESA-N 1 0 466.630 4.529 20 0 JJADRO Cc1cc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)[N@H+](C)C2CC2)no1 ZINC001361066467 1066305883 /nfs/dbraw/zinc/30/58/83/1066305883.db2.gz KFWUCIAYOBISPX-HNNXBMFYSA-N 1 0 461.035 4.639 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC001361066907 1066307331 /nfs/dbraw/zinc/30/73/31/1066307331.db2.gz XLWYGDZGUGQJRI-BZRIBIQUSA-N 1 0 486.705 4.886 20 0 JJADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Sc2ccccc2Cl)nn1 ZINC001443409072 1066307560 /nfs/dbraw/zinc/30/75/60/1066307560.db2.gz MYKIAHJVQPUZAZ-IBGZPJMESA-N 1 0 453.011 4.576 20 0 JJADRO C[NH+]1CCN(C(C)(C)CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1 ZINC001443417810 1066308932 /nfs/dbraw/zinc/30/89/32/1066308932.db2.gz GJGXMXOFILJSIF-UHFFFAOYSA-N 1 0 455.599 4.620 20 0 JJADRO Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)cs1 ZINC001361070933 1066311109 /nfs/dbraw/zinc/31/11/09/1066311109.db2.gz YUKJJRKCMMCTKH-LJQANCHMSA-N 1 0 457.619 4.896 20 0 JJADRO CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001545958686 1066311959 /nfs/dbraw/zinc/31/19/59/1066311959.db2.gz JFMRTEGMVCLILW-WSTZPKSXSA-N 1 0 477.600 4.564 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cc(O)ccc2C(F)(F)F)cc1 ZINC001454632714 1066312711 /nfs/dbraw/zinc/31/27/11/1066312711.db2.gz IBSVGXNSYXMZIH-LADGPHEKSA-N 1 0 470.491 4.818 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001546064060 1066313716 /nfs/dbraw/zinc/31/37/16/1066313716.db2.gz ILNZSBUVXPXOTM-KNQAVFIVSA-N 1 0 463.468 4.783 20 0 JJADRO CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@](C)(OC)C1)[NH+]1CCCC1 ZINC001545959454 1066315391 /nfs/dbraw/zinc/31/53/91/1066315391.db2.gz WGMIHGYALZPQFK-WZONZLPQSA-N 1 0 494.453 4.726 20 0 JJADRO Cc1cc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CCC(F)F)cc(N2CCCC2)[nH+]1 ZINC001361078489 1066318287 /nfs/dbraw/zinc/31/82/87/1066318287.db2.gz VFRJWLWNUUDLSB-UHFFFAOYSA-N 1 0 476.522 4.590 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H]2CCSC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001361087303 1066326159 /nfs/dbraw/zinc/32/61/59/1066326159.db2.gz GHAFGVUJAFWPLR-FPOVZHCZSA-N 1 0 478.106 4.678 20 0 JJADRO CC1(C)CN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001443547603 1066327552 /nfs/dbraw/zinc/32/75/52/1066327552.db2.gz GFFIBTWNXUONSS-MHZLTWQESA-N 1 0 458.602 4.812 20 0 JJADRO C[C@H](C(=O)NCc1cc(F)c(Br)cc1F)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001454741252 1066330108 /nfs/dbraw/zinc/33/01/08/1066330108.db2.gz ZOHVCFQBWYSTKC-OAHLLOKOSA-N 1 0 451.355 4.687 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001454744234 1066330326 /nfs/dbraw/zinc/33/03/26/1066330326.db2.gz IPVKDKKCSHSSKI-SANMLTNESA-N 1 0 450.671 4.902 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCSC(C)(C)C1)[NH+]1CCCC1 ZINC001545960296 1066332298 /nfs/dbraw/zinc/33/22/98/1066332298.db2.gz AIHYKDAZAPSFOS-LJQANCHMSA-N 1 0 478.504 4.914 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C)C1)[NH+]1CCCC1 ZINC001545960345 1066333429 /nfs/dbraw/zinc/33/34/29/1066333429.db2.gz BJFUJQIQCGFUCB-HUUCEWRRSA-N 1 0 470.506 4.585 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)N2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)cc1)C(C)C ZINC001454781733 1066333490 /nfs/dbraw/zinc/33/34/90/1066333490.db2.gz OCUOPWVZZJEJDT-UHFFFAOYSA-N 1 0 457.684 4.881 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001361089011 1066334440 /nfs/dbraw/zinc/33/44/40/1066334440.db2.gz OUHZRMJQNDBGMA-ILWGZMRPSA-N 1 0 490.092 4.597 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001361089662 1066337398 /nfs/dbraw/zinc/33/73/98/1066337398.db2.gz ZFVKOYRZRLGPIR-PZJWPPBQSA-N 1 0 492.133 4.783 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@H+](C)CCCOC)C1 ZINC001546066005 1066338675 /nfs/dbraw/zinc/33/86/75/1066338675.db2.gz FDRRWUSBSIAXSA-QHCPKHFHSA-N 1 0 478.479 4.611 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSC[C@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001361090136 1066338663 /nfs/dbraw/zinc/33/86/63/1066338663.db2.gz ATBMAGMOHPPXDQ-TZIWHRDSSA-N 1 0 492.133 4.925 20 0 JJADRO CCCN(C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443623591 1066338901 /nfs/dbraw/zinc/33/89/01/1066338901.db2.gz KIWPVAYYTKQCLM-URXFXBBRSA-N 1 0 457.659 4.578 20 0 JJADRO CC(C)[C@H]1CN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001454891319 1066339334 /nfs/dbraw/zinc/33/93/34/1066339334.db2.gz PCQVYNKLBNYVPD-MJGOQNOKSA-N 1 0 458.430 4.700 20 0 JJADRO Cc1cccc(-c2ccc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n2C)c1 ZINC001443628751 1066339540 /nfs/dbraw/zinc/33/95/40/1066339540.db2.gz DHDOTJDRMJJYCT-UHFFFAOYSA-N 1 0 451.014 4.596 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(Nc2cnn(C)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001361090985 1066339923 /nfs/dbraw/zinc/33/99/23/1066339923.db2.gz LKIINCWHKHSJIB-UHFFFAOYSA-N 1 0 486.064 4.993 20 0 JJADRO CC(C)(C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(Cl)c1F ZINC001443630522 1066340862 /nfs/dbraw/zinc/34/08/62/1066340862.db2.gz HZZLYDNEBKLAOG-UHFFFAOYSA-N 1 0 452.401 4.739 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001361091554 1066341162 /nfs/dbraw/zinc/34/11/62/1066341162.db2.gz QPMZABINRFKRFW-CTNGQTDRSA-N 1 0 492.133 4.925 20 0 JJADRO Cc1cc(F)ccc1CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001361094586 1066345125 /nfs/dbraw/zinc/34/51/25/1066345125.db2.gz DFCVLCLUEAZNPF-UHFFFAOYSA-N 1 0 456.997 4.604 20 0 JJADRO Cc1cccc(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361099779 1066349824 /nfs/dbraw/zinc/34/98/24/1066349824.db2.gz LDPBYPNYFDXLQO-ROUUACIJSA-N 1 0 487.446 4.611 20 0 JJADRO Cc1cccc(N(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361102846 1066352519 /nfs/dbraw/zinc/35/25/19/1066352519.db2.gz HVBZGBOVTCJLIF-BGYRXZFFSA-N 1 0 453.656 4.895 20 0 JJADRO Cc1cccc(O[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001361108238 1066357099 /nfs/dbraw/zinc/35/70/99/1066357099.db2.gz UYQPPIHOTCSTPM-NRFANRHFSA-N 1 0 450.631 4.606 20 0 JJADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001455070115 1066357379 /nfs/dbraw/zinc/35/73/79/1066357379.db2.gz DZDCSJKIKRDABG-HXUWFJFHSA-N 1 0 455.400 4.532 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001455079423 1066357950 /nfs/dbraw/zinc/35/79/50/1066357950.db2.gz ADPJEXGUGODWOQ-KKUQBAQOSA-N 1 0 462.634 4.791 20 0 JJADRO CN(C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001443781888 1066367085 /nfs/dbraw/zinc/36/70/85/1066367085.db2.gz RWPTZYDMRFKINO-JOCHJYFZSA-N 1 0 457.703 4.547 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](COC(C)C)C1)[NH+]1CCCC1 ZINC001545962451 1066369985 /nfs/dbraw/zinc/36/99/85/1066369985.db2.gz CRWIWLXUZZJYBR-DQEYMECFSA-N 1 0 483.701 4.747 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001361123792 1066375594 /nfs/dbraw/zinc/37/55/94/1066375594.db2.gz MVRQSJLDJUPHIW-LJQANCHMSA-N 1 0 453.553 4.628 20 0 JJADRO O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001443856323 1066376960 /nfs/dbraw/zinc/37/69/60/1066376960.db2.gz CINMVLGKAWEJPU-UHFFFAOYSA-N 1 0 456.011 4.797 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545962933 1066378560 /nfs/dbraw/zinc/37/85/60/1066378560.db2.gz MUYDPXBSQHBGQM-GBXCKJPGSA-N 1 0 453.675 4.978 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N3CCC[C@@H]([NH2+]C4CCOCC4)C3)cc2c1 ZINC001455297894 1066381883 /nfs/dbraw/zinc/38/18/83/1066381883.db2.gz AEBQYWFJJPEELF-LJQANCHMSA-N 1 0 459.612 4.622 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCCOC(F)F)c1 ZINC001361126300 1066383516 /nfs/dbraw/zinc/38/35/16/1066383516.db2.gz PWDBSPSNHYLPPO-VQTJNVASSA-N 1 0 477.600 4.591 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001361126561 1066385494 /nfs/dbraw/zinc/38/54/94/1066385494.db2.gz UYCRSMHGSIVJOO-SMIHKQSGSA-N 1 0 483.701 4.618 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001361127158 1066387157 /nfs/dbraw/zinc/38/71/57/1066387157.db2.gz GHQIRHLXRANWGK-DEOSSOPVSA-N 1 0 496.744 4.941 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC001455420802 1066388437 /nfs/dbraw/zinc/38/84/37/1066388437.db2.gz NUWGNAFRIOABBL-DOEKTCAHSA-N 1 0 463.021 4.756 20 0 JJADRO CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461367 1066393511 /nfs/dbraw/zinc/39/35/11/1066393511.db2.gz CNHKUDLJUTZEDM-WXVAWEFUSA-N 1 0 451.630 4.764 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@]2(C)CCCO2)c1 ZINC001361129906 1066394642 /nfs/dbraw/zinc/39/46/42/1066394642.db2.gz GCRGSDXIEDNRJV-HHHXNRCGSA-N 1 0 469.674 4.779 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001361130074 1066394922 /nfs/dbraw/zinc/39/49/22/1066394922.db2.gz IIKZYIZOJNIDHK-QFIPXVFZSA-N 1 0 469.674 4.779 20 0 JJADRO Cc1nc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[NH+](C(C)C)CC2)sc1C ZINC001361130665 1066396060 /nfs/dbraw/zinc/39/60/60/1066396060.db2.gz QAVUENPCUAATJT-UHFFFAOYSA-N 1 0 482.698 4.941 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSCC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361131171 1066398458 /nfs/dbraw/zinc/39/84/58/1066398458.db2.gz AWELDWAXHULIQB-JOCHJYFZSA-N 1 0 471.715 4.963 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@H+]2CC=CCC2)c1 ZINC001361131134 1066398527 /nfs/dbraw/zinc/39/85/27/1066398527.db2.gz YZDKROSWMZPWLZ-QFIPXVFZSA-N 1 0 467.658 4.555 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001455504730 1066399044 /nfs/dbraw/zinc/39/90/44/1066399044.db2.gz JUZFJPBKSWKLOZ-UHFFFAOYSA-N 1 0 459.432 4.732 20 0 JJADRO Cc1ccc(OCCC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c(Br)c1 ZINC001455509254 1066400871 /nfs/dbraw/zinc/40/08/71/1066400871.db2.gz OMBYUPFKSNNMDI-YKSBVNFPSA-N 1 0 457.412 4.507 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)NCC3([NH2+][C@@H](C)c4ccccc4)CCCC3)c2)n1 ZINC001444084242 1066402209 /nfs/dbraw/zinc/40/22/09/1066402209.db2.gz DSJPAGGXMVMMTL-FQEVSTJZSA-N 1 0 459.594 4.936 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@@H]3C)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361132501 1066403032 /nfs/dbraw/zinc/40/30/32/1066403032.db2.gz ZOOQZRRJZUAFDZ-QFIPXVFZSA-N 1 0 469.674 4.636 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001545964237 1066403941 /nfs/dbraw/zinc/40/39/41/1066403941.db2.gz AIOISMMSTGMPBX-FUHWJXTLSA-N 1 0 494.453 4.725 20 0 JJADRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)CCCC1)c1ccccc1 ZINC001444095221 1066405647 /nfs/dbraw/zinc/40/56/47/1066405647.db2.gz WUZWEMVPENDYKL-RTBURBONSA-N 1 0 457.615 4.666 20 0 JJADRO CC(C)(C)OC(=O)c1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001361136027 1066410380 /nfs/dbraw/zinc/41/03/80/1066410380.db2.gz JJMRNHMJPYHIML-DHIUTWEWSA-N 1 0 477.630 4.630 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1)OC ZINC001545964612 1066411888 /nfs/dbraw/zinc/41/18/88/1066411888.db2.gz HRAVVJIUVQKWEQ-IBGZPJMESA-N 1 0 450.002 4.617 20 0 JJADRO CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001455580684 1066412215 /nfs/dbraw/zinc/41/22/15/1066412215.db2.gz FIJVSKYBHTZUTK-HRAATJIYSA-N 1 0 457.785 4.853 20 0 JJADRO Cc1ccc([C@H](Cn2c(C(C)C)nnc2N2CCCN(C(=O)CC3CCCC3)CC2)[NH+](C)C)cc1 ZINC001361137166 1066412394 /nfs/dbraw/zinc/41/23/94/1066412394.db2.gz YBNNLBAKACVEQS-VWLOTQADSA-N 1 0 480.701 4.632 20 0 JJADRO Cc1ccc([C@H](Cn2c(C3CC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361139143 1066414340 /nfs/dbraw/zinc/41/43/40/1066414340.db2.gz FUKQGEGFPBHZNK-PKTZIBPZSA-N 1 0 482.673 4.603 20 0 JJADRO Cc1c(CN(C)c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cnn1C ZINC001361139278 1066414366 /nfs/dbraw/zinc/41/43/66/1066414366.db2.gz HNIBUNSRYUHXCY-DEOSSOPVSA-N 1 0 463.674 4.691 20 0 JJADRO Cc1ccc([C@@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)[NH+](C)C)cc1 ZINC001361139339 1066414492 /nfs/dbraw/zinc/41/44/92/1066414492.db2.gz IDDLAJMSOKHIIU-LADGPHEKSA-N 1 0 496.700 4.993 20 0 JJADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccncc2)cc1 ZINC001444140279 1066414745 /nfs/dbraw/zinc/41/47/45/1066414745.db2.gz RDDYDMSKMGHDJY-JOCHJYFZSA-N 1 0 455.480 4.684 20 0 JJADRO CC(C)[NH+]1CCN(CCCC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CC1 ZINC001444143112 1066416303 /nfs/dbraw/zinc/41/63/03/1066416303.db2.gz ZVOIAOBUFXMQFJ-UHFFFAOYSA-N 1 0 450.505 4.637 20 0 JJADRO Cc1ccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2nccs2)[NH+](C)C)cc1 ZINC001361140847 1066418718 /nfs/dbraw/zinc/41/87/18/1066418718.db2.gz HPRUENGQSBUULU-FUPPJEDESA-N 1 0 482.698 4.901 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361141007 1066419394 /nfs/dbraw/zinc/41/93/94/1066419394.db2.gz JWJFVHAJFUMVCY-FGZHOGPDSA-N 1 0 494.709 4.753 20 0 JJADRO Cc1ccc([C@@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(Cl)ccn2)[NH+](C)C)cc1 ZINC001361140919 1066419411 /nfs/dbraw/zinc/41/94/11/1066419411.db2.gz ITNGXYLEHVDTKO-XMMPIXPASA-N 1 0 476.028 4.560 20 0 JJADRO Cc1ccc([C@H](Cn2c(Cc3ccsc3)nnc2N2CC(C)(C)OC(C)(C)C2)[NH+](C)C)cc1 ZINC001361140902 1066419441 /nfs/dbraw/zinc/41/94/41/1066419441.db2.gz ILHDTAHJBURNIO-QFIPXVFZSA-N 1 0 467.683 4.936 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC001545965338 1066420952 /nfs/dbraw/zinc/42/09/52/1066420952.db2.gz WAUUVAHIHBDMDC-KRWDZBQOSA-N 1 0 487.426 4.513 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CCCC[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361141609 1066420985 /nfs/dbraw/zinc/42/09/85/1066420985.db2.gz ONILNKMNWMUVMC-WFIHMLKPSA-N 1 0 469.674 4.556 20 0 JJADRO Cc1ccc(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)C3CCCCC3)CC2)c1 ZINC001361142073 1066423630 /nfs/dbraw/zinc/42/36/30/1066423630.db2.gz UYHFMSGWQUNXAF-UHFFFAOYSA-N 1 0 452.691 4.784 20 0 JJADRO CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001444163972 1066423594 /nfs/dbraw/zinc/42/35/94/1066423594.db2.gz HASKHUBHYFRFBW-JIPXPUAJSA-N 1 0 459.675 4.775 20 0 JJADRO C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(CNC(=O)c4ccc(C(F)(F)F)cc4)cc3)C[N@@H+]2C1 ZINC001444176502 1066425620 /nfs/dbraw/zinc/42/56/20/1066425620.db2.gz PIJWPGUGQCACKK-GTCCEBARSA-N 1 0 459.512 4.694 20 0 JJADRO CC(C)(C)c1ncc(/C=C/C(=O)N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC001455716980 1066426737 /nfs/dbraw/zinc/42/67/37/1066426737.db2.gz LTNDHMHBKZEMRF-GLCJEOIMSA-N 1 0 453.652 4.784 20 0 JJADRO COC(=O)CCc1ccc(O)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001455723371 1066427567 /nfs/dbraw/zinc/42/75/67/1066427567.db2.gz XWIMCXAERXGXIG-FUFSCUOVSA-N 1 0 472.585 4.526 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001361145637 1066428831 /nfs/dbraw/zinc/42/88/31/1066428831.db2.gz DSAOUVLXNNPWBD-YADHBBJMSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361146009 1066430967 /nfs/dbraw/zinc/43/09/67/1066430967.db2.gz OTPAWMFDQOWDNY-ZRZAMGCNSA-N 1 0 495.668 4.900 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001361146114 1066431748 /nfs/dbraw/zinc/43/17/48/1066431748.db2.gz SFXURLWHXVROHG-IBGZPJMESA-N 1 0 453.553 4.737 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2cc(C)ccc2C)n1CC1([NH+](C)C)CCCC1 ZINC001361146180 1066431791 /nfs/dbraw/zinc/43/17/91/1066431791.db2.gz VGLHAXMTJGWEMQ-UHFFFAOYSA-N 1 0 468.671 4.750 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[NH+]2CCCCC2)c1 ZINC001361146220 1066432147 /nfs/dbraw/zinc/43/21/47/1066432147.db2.gz WMPXJBCAXDOZRF-UHFFFAOYSA-N 1 0 469.033 4.645 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001361148210 1066433678 /nfs/dbraw/zinc/43/36/78/1066433678.db2.gz DIYSBMGNCKZXPO-VWNXMTODSA-N 1 0 451.659 4.998 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001361148219 1066433701 /nfs/dbraw/zinc/43/37/01/1066433701.db2.gz DNPPNTPVFQURIT-QHCPKHFHSA-N 1 0 469.674 4.601 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1(C)C ZINC001455806816 1066434433 /nfs/dbraw/zinc/43/44/33/1066434433.db2.gz ZIFUNTKPEHFWMN-RBZQAINGSA-N 1 0 469.670 4.687 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361148596 1066435681 /nfs/dbraw/zinc/43/56/81/1066435681.db2.gz PRIFERUBSRKPDE-PZJWPPBQSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cccs3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361148585 1066435769 /nfs/dbraw/zinc/43/57/69/1066435769.db2.gz PJIFQBGNKBFDOF-DEOSSOPVSA-N 1 0 471.696 4.609 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361148597 1066435871 /nfs/dbraw/zinc/43/58/71/1066435871.db2.gz PRIFERUBSRKPDE-TZIWHRDSSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361151380 1066442576 /nfs/dbraw/zinc/44/25/76/1066442576.db2.gz IFZZBJPIDGYRNW-XZOQPEGZSA-N 1 0 469.674 4.598 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361151706 1066443753 /nfs/dbraw/zinc/44/37/53/1066443753.db2.gz DWLTYNYJBMORKB-HJOGWXRNSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361152494 1066446552 /nfs/dbraw/zinc/44/65/52/1066446552.db2.gz MMYUDDGRUIOJFZ-GOTSBHOMSA-N 1 0 469.674 4.598 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCc2ccsc2)c1 ZINC001361155027 1066452593 /nfs/dbraw/zinc/45/25/93/1066452593.db2.gz JJEYWVHMTHNASX-UHFFFAOYSA-N 1 0 453.656 4.745 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361155229 1066453047 /nfs/dbraw/zinc/45/30/47/1066453047.db2.gz QCMXBTRMBMPPGF-RUZDIDTESA-N 1 0 483.701 4.583 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361155230 1066453621 /nfs/dbraw/zinc/45/36/21/1066453621.db2.gz QCMXBTRMBMPPGF-VWLOTQADSA-N 1 0 483.701 4.583 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CCOC(C)C)c1 ZINC001361156012 1066456802 /nfs/dbraw/zinc/45/68/02/1066456802.db2.gz KOUDWZDMJUMQPO-VWLOTQADSA-N 1 0 483.701 4.847 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1 ZINC001455950175 1066458288 /nfs/dbraw/zinc/45/82/88/1066458288.db2.gz GZGQJAOKMGMEHK-JOCHJYFZSA-N 1 0 457.537 4.590 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546077890 1066460014 /nfs/dbraw/zinc/46/00/14/1066460014.db2.gz XQMBLRDPFFLMJU-RXYILKCJSA-N 1 0 483.701 4.586 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361158720 1066461914 /nfs/dbraw/zinc/46/19/14/1066461914.db2.gz FJAKLYROSVTILG-SONWIMMPSA-N 1 0 483.701 4.847 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@H]1CC=CCC1)[NH+]1CCCC1 ZINC001545967267 1066463198 /nfs/dbraw/zinc/46/31/98/1066463198.db2.gz UCBSKDVVSZYKBU-UNMCSNQZSA-N 1 0 453.631 4.629 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@@H]1CC=CCC1)[NH+]1CCCC1 ZINC001545967265 1066463214 /nfs/dbraw/zinc/46/32/14/1066463214.db2.gz UCBSKDVVSZYKBU-IRLDBZIGSA-N 1 0 453.631 4.629 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSC[C@H]1C)[NH+]1CCCC1 ZINC001545967346 1066464003 /nfs/dbraw/zinc/46/40/03/1066464003.db2.gz VZQGCWNDGZJFLQ-AEFFLSMTSA-N 1 0 494.503 4.532 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC1CC1)[NH+]1CCCC1 ZINC001545967386 1066464420 /nfs/dbraw/zinc/46/44/20/1066464420.db2.gz WPKBQYXEPAOWLQ-IBGZPJMESA-N 1 0 476.463 4.827 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)c2ccccn2)c1 ZINC001361159562 1066464575 /nfs/dbraw/zinc/46/45/75/1066464575.db2.gz CCYRAIRLUVUGAJ-UHFFFAOYSA-N 1 0 476.669 4.625 20 0 JJADRO CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)co1 ZINC001361161456 1066467029 /nfs/dbraw/zinc/46/70/29/1066467029.db2.gz YVWFAUNRPUWJMT-JZILDOMLSA-N 1 0 450.579 4.763 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361162084 1066468973 /nfs/dbraw/zinc/46/89/73/1066468973.db2.gz HKRZKIVNVYJBFR-LADGPHEKSA-N 1 0 483.701 4.988 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361162083 1066469021 /nfs/dbraw/zinc/46/90/21/1066469021.db2.gz HKRZKIVNVYJBFR-ISKFKSNPSA-N 1 0 483.701 4.988 20 0 JJADRO CN(C)c1cc(C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cc(Cl)n1 ZINC001456008985 1066471124 /nfs/dbraw/zinc/47/11/24/1066471124.db2.gz XWDYNOZDRCMCCP-UHFFFAOYSA-N 1 0 451.014 4.985 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC001456010629 1066471716 /nfs/dbraw/zinc/47/17/16/1066471716.db2.gz RTFSFRAUBLAAEQ-IXCJQBJRSA-N 1 0 464.650 4.793 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001361164061 1066474672 /nfs/dbraw/zinc/47/46/72/1066474672.db2.gz UIBRTNWLSGTKIR-CTNGQTDRSA-N 1 0 471.696 4.780 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361164083 1066474708 /nfs/dbraw/zinc/47/47/08/1066474708.db2.gz UZOBPQCXWBLGOV-JXALWOEJSA-N 1 0 493.668 4.639 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001361164064 1066474716 /nfs/dbraw/zinc/47/47/16/1066474716.db2.gz UIBRTNWLSGTKIR-TZIWHRDSSA-N 1 0 471.696 4.780 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC001444557270 1066474895 /nfs/dbraw/zinc/47/48/95/1066474895.db2.gz RTDUKQNHAPZZOK-LXFBAYGMSA-N 1 0 450.623 4.772 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361164229 1066475854 /nfs/dbraw/zinc/47/58/54/1066475854.db2.gz ZANUOWOVTLNIAU-UNMCSNQZSA-N 1 0 471.715 4.926 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1sc(SC(F)(F)F)nc1C ZINC001444562093 1066476391 /nfs/dbraw/zinc/47/63/91/1066476391.db2.gz XBILTVQHPFMTEA-QGZVFWFLSA-N 1 0 457.587 4.977 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc(C(C)C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)CC2)cc1 ZINC001361166738 1066478409 /nfs/dbraw/zinc/47/84/09/1066478409.db2.gz ZZGWLCBRBWIKLN-XMMPIXPASA-N 1 0 453.675 4.625 20 0 JJADRO Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3C[C@@H](C)C[C@H](C)C3)C2)cc1 ZINC001361166822 1066478464 /nfs/dbraw/zinc/47/84/64/1066478464.db2.gz AJAWKEIRQWJOOS-LXWOLXCRSA-N 1 0 467.702 4.641 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361169665 1066484185 /nfs/dbraw/zinc/48/41/85/1066484185.db2.gz ITYZRBVFCOHYIO-KNQAVFIVSA-N 1 0 455.578 4.540 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CCCOc3ccc(C)cc3C)CC2)c1C ZINC001456034677 1066485222 /nfs/dbraw/zinc/48/52/22/1066485222.db2.gz AVYPJXBSYWEZIX-UHFFFAOYSA-N 1 0 453.627 4.606 20 0 JJADRO O=C(CCc1cccc(OC(F)F)c1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001444645133 1066487968 /nfs/dbraw/zinc/48/79/68/1066487968.db2.gz CLDOEJFSLUJETC-UHFFFAOYSA-N 1 0 452.929 4.534 20 0 JJADRO CC(=O)c1cc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)ccc1OC(C)C ZINC001444648545 1066488088 /nfs/dbraw/zinc/48/80/88/1066488088.db2.gz KONOLVVSWPWONU-UHFFFAOYSA-N 1 0 458.986 4.603 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)o1 ZINC001361172002 1066488848 /nfs/dbraw/zinc/48/88/48/1066488848.db2.gz XYZLWQPRVQTBQN-FPOVZHCZSA-N 1 0 499.681 4.568 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C3CCCCC3)n2CCCC[NH+]2CCOCC2)cc1Br ZINC001361172259 1066489394 /nfs/dbraw/zinc/48/93/94/1066489394.db2.gz YVPRILXICGPZLB-UHFFFAOYSA-N 1 0 490.490 4.897 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1Br ZINC001361174464 1066491116 /nfs/dbraw/zinc/49/11/16/1066491116.db2.gz RRNFLDDTUJKDFI-ICSRJNTNSA-N 1 0 476.463 4.506 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC001361175574 1066493322 /nfs/dbraw/zinc/49/33/22/1066493322.db2.gz RNTANRHFTIBPCZ-MAUKXSAKSA-N 1 0 453.534 4.990 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361175995 1066494667 /nfs/dbraw/zinc/49/46/67/1066494667.db2.gz ZWDGAYRYZJLPHY-BVSLBCMMSA-N 1 0 451.615 4.586 20 0 JJADRO COc1ccc([C@@H](NC(=O)CCCN2CC[NH+](C(C)C)CC2)c2ccccc2Cl)c(C)c1 ZINC001444710666 1066495904 /nfs/dbraw/zinc/49/59/04/1066495904.db2.gz ZFONDVXNTNJBCH-AREMUKBSSA-N 1 0 458.046 4.669 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001546078913 1066496035 /nfs/dbraw/zinc/49/60/35/1066496035.db2.gz BOFJBTIIFDNRCN-WYNJNVBPSA-N 1 0 496.700 4.978 20 0 JJADRO Cc1cc(Br)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC001456056019 1066496742 /nfs/dbraw/zinc/49/67/42/1066496742.db2.gz MTKAQYDGBHEQFR-UHFFFAOYSA-N 1 0 454.206 4.724 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2CC2(O)CC[NH+](C(C)C)CC2)o1 ZINC001361177852 1066496956 /nfs/dbraw/zinc/49/69/56/1066496956.db2.gz UIHXTPKWHRKPIP-UHFFFAOYSA-N 1 0 475.996 4.511 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC001361177706 1066497031 /nfs/dbraw/zinc/49/70/31/1066497031.db2.gz NJKZNZNPURPTCZ-ROUUACIJSA-N 1 0 454.619 4.846 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001456060734 1066498580 /nfs/dbraw/zinc/49/85/80/1066498580.db2.gz SJDWZURMRXGMAH-UHFFFAOYSA-N 1 0 451.611 4.922 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC001361178430 1066498801 /nfs/dbraw/zinc/49/88/01/1066498801.db2.gz MIUGEZIECSDXOA-IBGZPJMESA-N 1 0 475.996 4.632 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC001456062254 1066498811 /nfs/dbraw/zinc/49/88/11/1066498811.db2.gz XUCXMYCNYBCSTP-UHFFFAOYSA-N 1 0 451.533 4.801 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001361182857 1066505205 /nfs/dbraw/zinc/50/52/05/1066505205.db2.gz CLKDEJRMXQIJOZ-SFHVURJKSA-N 1 0 487.446 4.761 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CCCCC[NH+]2CCCC2)cc1Br ZINC001361184606 1066508289 /nfs/dbraw/zinc/50/82/89/1066508289.db2.gz OEQPUCZXEDPNHI-FQEVSTJZSA-N 1 0 490.490 4.755 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546079355 1066508370 /nfs/dbraw/zinc/50/83/70/1066508370.db2.gz KMQKHMZDGMUPBD-ISJBWFOZSA-N 1 0 487.714 4.705 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001546079453 1066510474 /nfs/dbraw/zinc/51/04/74/1066510474.db2.gz MSDUCMDLEYBESA-LVXARBLLSA-N 1 0 455.647 4.613 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC001456104366 1066510530 /nfs/dbraw/zinc/51/05/30/1066510530.db2.gz MRSZOBFFEDRUMI-QGZVFWFLSA-N 1 0 454.571 4.774 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)o1 ZINC001361188418 1066514107 /nfs/dbraw/zinc/51/41/07/1066514107.db2.gz SDPCVBKGIZBXPV-UHFFFAOYSA-N 1 0 450.631 4.684 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC001361190576 1066515532 /nfs/dbraw/zinc/51/55/32/1066515532.db2.gz LTSCJZBUYUQMHZ-QFIPXVFZSA-N 1 0 451.615 4.730 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3cccc(Cl)c3)n2CCC[NH+]2CCCCC2)o1 ZINC001361190707 1066516068 /nfs/dbraw/zinc/51/60/68/1066516068.db2.gz QBMBJLRTLCQGIB-UHFFFAOYSA-N 1 0 458.006 4.891 20 0 JJADRO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001444894912 1066516945 /nfs/dbraw/zinc/51/69/45/1066516945.db2.gz TZCPZOJBVYQHEV-YKSBVNFPSA-N 1 0 456.030 4.608 20 0 JJADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001444919585 1066518251 /nfs/dbraw/zinc/51/82/51/1066518251.db2.gz IEMFVMZMNHGKKW-DEOSSOPVSA-N 1 0 459.993 4.602 20 0 JJADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc1 ZINC001361195577 1066522364 /nfs/dbraw/zinc/52/23/64/1066522364.db2.gz UFUMMOTUBALSBP-UHFFFAOYSA-N 1 0 450.627 4.860 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCCOCC(C)C)cc1Br ZINC001361198180 1066527002 /nfs/dbraw/zinc/52/70/02/1066527002.db2.gz LAFRHOLXPXODGJ-CTNGQTDRSA-N 1 0 490.490 4.752 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)C1 ZINC001445036901 1066531532 /nfs/dbraw/zinc/53/15/32/1066531532.db2.gz VGHUZXHVEOKKRK-HXUWFJFHSA-N 1 0 458.002 4.962 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CC[NH+]2CCSCC2)cc1Br ZINC001361201931 1066531825 /nfs/dbraw/zinc/53/18/25/1066531825.db2.gz KCFNSPZRVKIMJW-UHFFFAOYSA-N 1 0 478.504 4.691 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC001361202925 1066532927 /nfs/dbraw/zinc/53/29/27/1066532927.db2.gz VIGUWHYUHUOJBN-LJQANCHMSA-N 1 0 451.615 4.708 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H](c2ccco2)[NH+](C)C)o1 ZINC001361203933 1066533599 /nfs/dbraw/zinc/53/35/99/1066533599.db2.gz GJGCAKSBBWHLIH-KRWDZBQOSA-N 1 0 451.493 4.911 20 0 JJADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccccc3CNC(=O)OC(C)(C)C)cc2)C1 ZINC001445049560 1066533713 /nfs/dbraw/zinc/53/37/13/1066533713.db2.gz PEBKKQXXBBZDLJ-LJQANCHMSA-N 1 0 453.583 4.684 20 0 JJADRO Cc1sc2ncnc(SCC(=O)Nc3ccc(OCC[N@H+]4CC[C@@H](C)C4)cc3)c2c1C ZINC001445049509 1066533761 /nfs/dbraw/zinc/53/37/61/1066533761.db2.gz OZUFEPJYOXEWID-OAHLLOKOSA-N 1 0 456.637 4.760 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC001445054911 1066534779 /nfs/dbraw/zinc/53/47/79/1066534779.db2.gz PAFVGKNXIFUWKP-WBMJQRKESA-N 1 0 451.423 4.974 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC001445054903 1066534860 /nfs/dbraw/zinc/53/48/60/1066534860.db2.gz PAFVGKNXIFUWKP-MLGOLLRUSA-N 1 0 451.423 4.974 20 0 JJADRO CC(C)(C)OC(=O)c1ccc(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)nc1 ZINC001361204928 1066536063 /nfs/dbraw/zinc/53/60/63/1066536063.db2.gz OKUNSKYVMUMDTO-UHFFFAOYSA-N 1 0 459.590 4.859 20 0 JJADRO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001445086267 1066537952 /nfs/dbraw/zinc/53/79/52/1066537952.db2.gz WYCSWQSKAJPDNR-AREMUKBSSA-N 1 0 457.659 4.832 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001445086784 1066538139 /nfs/dbraw/zinc/53/81/39/1066538139.db2.gz YAYATGGDLGLZAG-AZSVPQILSA-N 1 0 455.643 4.585 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC2CCOCC2)cc1Br ZINC001361207233 1066540112 /nfs/dbraw/zinc/54/01/12/1066540112.db2.gz NNAWZNGFOJYIHN-UHFFFAOYSA-N 1 0 490.490 4.800 20 0 JJADRO C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NCCC[NH+](Cc3ccccc3)Cc3ccccc3)c2N1 ZINC001445171727 1066542738 /nfs/dbraw/zinc/54/27/38/1066542738.db2.gz GCTHHWGMMOGCOS-AUSIDOKSSA-N 1 0 467.564 4.716 20 0 JJADRO Cc1ccc(-c2nnc(N3CCc4cc(OCC(C)(C)C)ccc4C3)n2C[C@@H](C)[NH+](C)C)o1 ZINC001361211097 1066544567 /nfs/dbraw/zinc/54/45/67/1066544567.db2.gz XJFYUIXYMVGRDI-GOSISDBHSA-N 1 0 451.615 4.784 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361211828 1066545908 /nfs/dbraw/zinc/54/59/08/1066545908.db2.gz BGVIPMYCRDFKHV-YIXXDRMTSA-N 1 0 471.690 4.982 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361211911 1066545926 /nfs/dbraw/zinc/54/59/26/1066545926.db2.gz CRBOLXXGMWWNAG-HXUWFJFHSA-N 1 0 488.677 4.518 20 0 JJADRO CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCCC1 ZINC001545972767 1066546965 /nfs/dbraw/zinc/54/69/65/1066546965.db2.gz MJANFOLCCZBMJG-GOSISDBHSA-N 1 0 475.460 4.675 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361212592 1066547473 /nfs/dbraw/zinc/54/74/73/1066547473.db2.gz NXPZWGHTLVPJDS-IFMALSPDSA-N 1 0 498.716 4.736 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)o1 ZINC001361212783 1066547899 /nfs/dbraw/zinc/54/78/99/1066547899.db2.gz PSQWCXRZXIOZOQ-JTHBVZDNSA-N 1 0 498.716 4.736 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[NH+](C(C)C)C(C)C)o1 ZINC001361213863 1066548662 /nfs/dbraw/zinc/54/86/62/1066548662.db2.gz CMFMKNFSKGRBFK-LJQANCHMSA-N 1 0 471.568 4.903 20 0 JJADRO CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)CCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC001545973144 1066549174 /nfs/dbraw/zinc/54/91/74/1066549174.db2.gz SUTXTUKMQUJPCY-HXUWFJFHSA-N 1 0 460.548 4.509 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CCCCC[NH+]2CCCC2)o1 ZINC001361214561 1066550620 /nfs/dbraw/zinc/55/06/20/1066550620.db2.gz RPRQTQMOJNFCRC-NRFANRHFSA-N 1 0 486.661 4.606 20 0 JJADRO CC(C)C1CCC([NH+]2CCN(C(=O)[C@H](NC(=O)OCc3ccccc3)C(C)(C)C)CC2)CC1 ZINC001445268442 1066550888 /nfs/dbraw/zinc/55/08/88/1066550888.db2.gz FWZPZLKKSQHTGF-VHYCJAOWSA-N 1 0 457.659 4.687 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1Br ZINC001361218639 1066555286 /nfs/dbraw/zinc/55/52/86/1066555286.db2.gz PRTNGUHHISYAPD-LJQANCHMSA-N 1 0 460.445 4.981 20 0 JJADRO COc1ccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c(C)c1OC ZINC001361220634 1066558120 /nfs/dbraw/zinc/55/81/20/1066558120.db2.gz XXGWCSJIAXFRLU-LJQANCHMSA-N 1 0 450.501 4.539 20 0 JJADRO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001456305864 1066559483 /nfs/dbraw/zinc/55/94/83/1066559483.db2.gz QDZJUPDZIVCBCA-JOCHJYFZSA-N 1 0 452.664 4.913 20 0 JJADRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc(-c3ccc(Br)s3)s2)C[C@H](C)O1 ZINC001445344692 1066559952 /nfs/dbraw/zinc/55/99/52/1066559952.db2.gz FRQHMYHDOZGECD-KBPBESRZSA-N 1 0 457.459 4.858 20 0 JJADRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc(-c3ccc(Br)s3)s2)C[C@@H](C)O1 ZINC001445344697 1066560067 /nfs/dbraw/zinc/56/00/67/1066560067.db2.gz FRQHMYHDOZGECD-ZIAGYGMSSA-N 1 0 457.459 4.858 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CC=CCC2)cc1Br ZINC001361221435 1066560214 /nfs/dbraw/zinc/56/02/14/1066560214.db2.gz YTYMZOUDGGEXMC-IBGZPJMESA-N 1 0 458.448 4.903 20 0 JJADRO C[C@H](CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC001445358610 1066562095 /nfs/dbraw/zinc/56/20/95/1066562095.db2.gz ADPNZTMZVRBYMF-HYBUGGRVSA-N 1 0 451.611 4.548 20 0 JJADRO C[C@@H](CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC001445358621 1066562198 /nfs/dbraw/zinc/56/21/98/1066562198.db2.gz ADPNZTMZVRBYMF-RDPSFJRHSA-N 1 0 451.611 4.548 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC001361224209 1066562357 /nfs/dbraw/zinc/56/23/57/1066562357.db2.gz MGJMEAJMSLFZRU-OALUTQOASA-N 1 0 453.553 4.993 20 0 JJADRO CSc1cccc(N(C(=O)Cc2sc(CC(F)(F)F)nc2C)C2CC[NH+](C)CC2)c1 ZINC001456330034 1066563761 /nfs/dbraw/zinc/56/37/61/1066563761.db2.gz AUQIFEGIJGKRII-UHFFFAOYSA-N 1 0 457.587 4.948 20 0 JJADRO CSc1cccc(N(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)C2CC[NH+](C)CC2)c1 ZINC001456330265 1066563961 /nfs/dbraw/zinc/56/39/61/1066563961.db2.gz BIWICXGHQCRSTD-UHFFFAOYSA-N 1 0 452.546 4.701 20 0 JJADRO CCN(C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1)CC(F)(F)F ZINC001445372735 1066564001 /nfs/dbraw/zinc/56/40/01/1066564001.db2.gz PKRBUFXQLUHULC-YTFSRNRJSA-N 1 0 453.593 4.513 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001456342556 1066565880 /nfs/dbraw/zinc/56/58/80/1066565880.db2.gz OCDORLLHOFGYEK-KIFXHHALSA-N 1 0 459.556 4.949 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)cc1Br ZINC001361227577 1066566142 /nfs/dbraw/zinc/56/61/42/1066566142.db2.gz QGDKCBJBBJFZFG-OAQYLSRUSA-N 1 0 492.506 4.998 20 0 JJADRO Cc1ccc(-c2nnc(N3CCOCC3)n2CC2CC[NH+](CCC(C)C)CC2)cc1Br ZINC001361229284 1066568084 /nfs/dbraw/zinc/56/80/84/1066568084.db2.gz OSJZEGBTGMRNPD-UHFFFAOYSA-N 1 0 490.490 4.611 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccc(F)cc4F)C3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361229743 1066569158 /nfs/dbraw/zinc/56/91/58/1066569158.db2.gz VLOAFWHDSRJSPD-WMZHIEFXSA-N 1 0 473.568 4.679 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001361235574 1066575688 /nfs/dbraw/zinc/57/56/88/1066575688.db2.gz XFMPKFCAYFHOKD-QQNWGBJXSA-N 1 0 483.701 4.945 20 0 JJADRO CCOc1cc2c(cc1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)O[C@@H](C)C2 ZINC001361238497 1066578500 /nfs/dbraw/zinc/57/85/00/1066578500.db2.gz OXOYUINPUFQZDM-PMACEKPBSA-N 1 0 452.595 4.592 20 0 JJADRO Cc1nc(-c2cccs2)sc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001445508771 1066578754 /nfs/dbraw/zinc/57/87/54/1066578754.db2.gz BEHNFQAHBFYWGL-UHFFFAOYSA-N 1 0 455.649 4.981 20 0 JJADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2Cl)on1 ZINC001445509299 1066578821 /nfs/dbraw/zinc/57/88/21/1066578821.db2.gz CYANQTWHRXEECN-UHFFFAOYSA-N 1 0 453.970 4.796 20 0 JJADRO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001445511844 1066579208 /nfs/dbraw/zinc/57/92/08/1066579208.db2.gz JRJXTKZQAYTBSB-JOCHJYFZSA-N 1 0 452.639 4.939 20 0 JJADRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001445516075 1066579402 /nfs/dbraw/zinc/57/94/02/1066579402.db2.gz MSJZKFXRTXOPCV-JOCHJYFZSA-N 1 0 452.639 4.939 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001445516181 1066579753 /nfs/dbraw/zinc/57/97/53/1066579753.db2.gz NDBVQUPIUQNZMO-SKWRMQMOSA-N 1 0 459.675 4.931 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001445522325 1066580957 /nfs/dbraw/zinc/58/09/57/1066580957.db2.gz GEEMAFBCPQQRQA-CJRSTVEYSA-N 1 0 455.643 4.583 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001361243124 1066584768 /nfs/dbraw/zinc/58/47/68/1066584768.db2.gz VIRQIFSGVAKDGU-ZBFHGGJFSA-N 1 0 451.792 4.894 20 0 JJADRO O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001456435009 1066584919 /nfs/dbraw/zinc/58/49/19/1066584919.db2.gz WRDGZEJKQAQULW-UHFFFAOYSA-N 1 0 450.529 4.997 20 0 JJADRO CC(C)(C)c1ccc([C@H](O)CCC(=O)N2CCC[N@H+](Cc3ccccc3)CCOCC2)cc1 ZINC001456437376 1066585934 /nfs/dbraw/zinc/58/59/34/1066585934.db2.gz NCPLHWKUQXOWQP-AREMUKBSSA-N 1 0 452.639 4.549 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(F)c2I)CC1 ZINC001445564646 1066588614 /nfs/dbraw/zinc/58/86/14/1066588614.db2.gz CXRNEYYUAJJMOM-OAHLLOKOSA-N 1 0 458.359 4.547 20 0 JJADRO Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCC(C)CC2)o1 ZINC001361247332 1066590037 /nfs/dbraw/zinc/59/00/37/1066590037.db2.gz ZEVMNIAPOCOAST-UHFFFAOYSA-N 1 0 499.059 4.521 20 0 JJADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3SCC(=O)NC3CCCCCCC3)CC[C@@H]21 ZINC001445576727 1066590156 /nfs/dbraw/zinc/59/01/56/1066590156.db2.gz WEQZSKDGOQNOGF-OFNKIYASSA-N 1 0 457.684 4.564 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCCC2)o1 ZINC001361248284 1066591697 /nfs/dbraw/zinc/59/16/97/1066591697.db2.gz JJPOBLLYUPYVCR-QUCCMNQESA-N 1 0 455.578 4.827 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CC=CCC2)o1 ZINC001361250020 1066595845 /nfs/dbraw/zinc/59/58/45/1066595845.db2.gz OAPFFYDVOULYCO-UHFFFAOYSA-N 1 0 456.388 4.507 20 0 JJADRO O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001445631089 1066596405 /nfs/dbraw/zinc/59/64/05/1066596405.db2.gz NZMKTHOWVGQTMN-NRFANRHFSA-N 1 0 450.411 4.748 20 0 JJADRO C[NH+](C)CCSc1nc(CC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)cs1 ZINC001445636373 1066596828 /nfs/dbraw/zinc/59/68/28/1066596828.db2.gz ZXOYRRJPJOMUDW-UHFFFAOYSA-N 1 0 452.605 4.710 20 0 JJADRO Cc1cccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@H+](C)C4)cc3)nc2)c1 ZINC001456499299 1066601574 /nfs/dbraw/zinc/60/15/74/1066601574.db2.gz JGQBPGCDQOZPIB-QFIPXVFZSA-N 1 0 458.562 4.601 20 0 JJADRO COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@H+](C)C4)cc3)ccc2c1 ZINC001456501813 1066602955 /nfs/dbraw/zinc/60/29/55/1066602955.db2.gz YECSYEADNOJQBE-DFBJGRDBSA-N 1 0 459.590 4.757 20 0 JJADRO CC(C)Sc1ccccc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001456510848 1066606969 /nfs/dbraw/zinc/60/69/69/1066606969.db2.gz VZRFIVLXAQQPPS-UHFFFAOYSA-N 1 0 451.558 4.888 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C2CCCCC2)[NH+](C)C)s1 ZINC001361258245 1066607554 /nfs/dbraw/zinc/60/75/54/1066607554.db2.gz PVKAKRBNHAZHKU-QHCPKHFHSA-N 1 0 452.672 4.781 20 0 JJADRO C[N@H+](CCC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1)C1CCCCC1 ZINC001456518292 1066609913 /nfs/dbraw/zinc/60/99/13/1066609913.db2.gz POXOUOUGZQECPK-UHFFFAOYSA-N 1 0 457.659 4.726 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(Br)cc3)n2CC2([NH+](C)C)CCC2)o1 ZINC001361261307 1066612815 /nfs/dbraw/zinc/61/28/15/1066612815.db2.gz OULRDQXUHTXXNY-UHFFFAOYSA-N 1 0 488.430 4.642 20 0 JJADRO COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)CC2)cc1 ZINC001456538973 1066618659 /nfs/dbraw/zinc/61/86/59/1066618659.db2.gz JRAUODXNKRRKJN-XNMGPUDCSA-N 1 0 462.634 4.911 20 0 JJADRO CC(C)(C)n1ccnc1SCC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456548304 1066622704 /nfs/dbraw/zinc/62/27/04/1066622704.db2.gz MCLRETUHBTVRLU-WNCULLNHSA-N 1 0 462.663 4.905 20 0 JJADRO Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)c(OCC(F)(F)F)c1 ZINC001361285951 1066644368 /nfs/dbraw/zinc/64/43/68/1066644368.db2.gz JIHWUPXSSIECKL-UHFFFAOYSA-N 1 0 467.580 4.695 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(C(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001492599599 1066650552 /nfs/dbraw/zinc/65/05/52/1066650552.db2.gz ZFBRRHZZGQWQFD-VXKWHMMOSA-N 1 0 457.663 4.503 20 0 JJADRO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001456636790 1066653506 /nfs/dbraw/zinc/65/35/06/1066653506.db2.gz SQSQRMGLOFJPCY-ZBCONREDSA-N 1 0 469.670 4.544 20 0 JJADRO Cc1ccccc1OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001492600855 1066654530 /nfs/dbraw/zinc/65/45/30/1066654530.db2.gz RZYSRJWKRQYBLI-UHFFFAOYSA-N 1 0 469.033 4.738 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@H]2CCCOC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492601498 1066656272 /nfs/dbraw/zinc/65/62/72/1066656272.db2.gz DIKDIRJJZVIGPW-ZDXQCDESSA-N 1 0 483.701 4.752 20 0 JJADRO Cc1ccccc1OCCCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001492600912 1066656447 /nfs/dbraw/zinc/65/64/47/1066656447.db2.gz TYCXNMFUHFGWER-UHFFFAOYSA-N 1 0 453.656 4.628 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(Cc2ccsc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001492601868 1066657122 /nfs/dbraw/zinc/65/71/22/1066657122.db2.gz JFUKEZCWUVWFTN-UNMCSNQZSA-N 1 0 467.683 4.874 20 0 JJADRO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC001446085176 1066657478 /nfs/dbraw/zinc/65/74/78/1066657478.db2.gz GQMSFOFZFNZLPK-RDGATRHJSA-N 1 0 452.595 4.862 20 0 JJADRO CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456650861 1066658752 /nfs/dbraw/zinc/65/87/52/1066658752.db2.gz QMEJVEYSBBITOV-VYKTZEHYSA-N 1 0 465.638 4.854 20 0 JJADRO Cc1ccccc1OCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001492602729 1066658952 /nfs/dbraw/zinc/65/89/52/1066658952.db2.gz SSQMURKFDAJXPC-UHFFFAOYSA-N 1 0 469.033 4.692 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001492606995 1066665126 /nfs/dbraw/zinc/66/51/26/1066665126.db2.gz ACUAIQQMXDCNLO-QFIPXVFZSA-N 1 0 476.669 4.847 20 0 JJADRO CC1=CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001492608661 1066669736 /nfs/dbraw/zinc/66/97/36/1066669736.db2.gz FOQQZQFTWQCMOX-DEOSSOPVSA-N 1 0 451.659 4.756 20 0 JJADRO CC1=CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001492608906 1066669813 /nfs/dbraw/zinc/66/98/13/1066669813.db2.gz JNXXLEYWGUSTSS-NRFANRHFSA-N 1 0 458.448 4.984 20 0 JJADRO CC1=CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001492609142 1066670526 /nfs/dbraw/zinc/67/05/26/1066670526.db2.gz NAVYEGZWANDLDB-WXVAWEFUSA-N 1 0 467.658 4.605 20 0 JJADRO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001456708649 1066671406 /nfs/dbraw/zinc/67/14/06/1066671406.db2.gz CMMJDBABNMDPKG-NVXWUHKLSA-N 1 0 456.578 4.888 20 0 JJADRO CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001492609753 1066671852 /nfs/dbraw/zinc/67/18/52/1066671852.db2.gz VURINQGJPDSWRM-RTBURBONSA-N 1 0 489.506 4.959 20 0 JJADRO C[N@@H+]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC001446191863 1066672611 /nfs/dbraw/zinc/67/26/11/1066672611.db2.gz KVGBTJXDVTYSRD-PXNSSMCTSA-N 1 0 455.755 4.572 20 0 JJADRO C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC001446191868 1066672689 /nfs/dbraw/zinc/67/26/89/1066672689.db2.gz KVGBTJXDVTYSRD-XLIONFOSSA-N 1 0 455.755 4.572 20 0 JJADRO C[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193760 1066673191 /nfs/dbraw/zinc/67/31/91/1066673191.db2.gz NKGVDDDKHQJFOV-VAFVZNMKSA-N 1 0 455.574 4.589 20 0 JJADRO C[N@@H+]1CC[C@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@@H]1c1ccc(F)cc1 ZINC001446191986 1066673298 /nfs/dbraw/zinc/67/32/98/1066673298.db2.gz LJUVNYMYYDBLQW-KKSFZXQISA-N 1 0 451.489 4.948 20 0 JJADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001456719148 1066673692 /nfs/dbraw/zinc/67/36/92/1066673692.db2.gz ACYXQGREDCBXGR-XMMPIXPASA-N 1 0 457.618 4.525 20 0 JJADRO CC[C@H](Cn1c(C2CC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982507 1066674228 /nfs/dbraw/zinc/67/42/28/1066674228.db2.gz NGWVLTXPPGDXFQ-JOCHJYFZSA-N 1 0 482.673 4.560 20 0 JJADRO CC[C@@H](Cn1c(C2CC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982508 1066674353 /nfs/dbraw/zinc/67/43/53/1066674353.db2.gz NGWVLTXPPGDXFQ-QFIPXVFZSA-N 1 0 482.673 4.560 20 0 JJADRO CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)NC(=O)OC(C)(C)C ZINC001545983186 1066675691 /nfs/dbraw/zinc/67/56/91/1066675691.db2.gz YKACWYRHGGMCIR-KCZVDYSFSA-N 1 0 474.694 4.550 20 0 JJADRO CC[C@@H](Cn1c(C2CC2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982715 1066675718 /nfs/dbraw/zinc/67/57/18/1066675718.db2.gz QEBWKFFRIGCEOC-OFNKIYASSA-N 1 0 482.673 4.560 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(F)(F)c1ccccc1Br ZINC001456736876 1066678328 /nfs/dbraw/zinc/67/83/28/1066678328.db2.gz OBSCFIJWHKMNJW-GOSISDBHSA-N 1 0 451.355 4.912 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456737083 1066678418 /nfs/dbraw/zinc/67/84/18/1066678418.db2.gz OOEGNEKKBKLHDJ-ZEQRLZLVSA-N 1 0 457.659 4.784 20 0 JJADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001446246294 1066679597 /nfs/dbraw/zinc/67/95/97/1066679597.db2.gz QIDVQWZMFHVOLZ-SIKLNZKXSA-N 1 0 459.631 4.660 20 0 JJADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001446246295 1066679617 /nfs/dbraw/zinc/67/96/17/1066679617.db2.gz QIDVQWZMFHVOLZ-UGKGYDQZSA-N 1 0 459.631 4.660 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=C(C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001492615072 1066679653 /nfs/dbraw/zinc/67/96/53/1066679653.db2.gz YRTASTLCPXPPEF-FYYLOGMGSA-N 1 0 488.076 4.692 20 0 JJADRO CC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001492615397 1066681208 /nfs/dbraw/zinc/68/12/08/1066681208.db2.gz LGKKWZBSBZZOOT-KRWDZBQOSA-N 1 0 461.452 4.703 20 0 JJADRO CC1=CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001492615484 1066681750 /nfs/dbraw/zinc/68/17/50/1066681750.db2.gz OIICUXBIDFGSCH-OALUTQOASA-N 1 0 488.474 4.752 20 0 JJADRO CC1=CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001492616655 1066684508 /nfs/dbraw/zinc/68/45/08/1066684508.db2.gz HBZWBNVRNVSERO-UHFFFAOYSA-N 1 0 477.657 4.511 20 0 JJADRO CCCc1c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774126 1066687158 /nfs/dbraw/zinc/68/71/58/1066687158.db2.gz WIMADDPDDMUVDJ-ZHRRBRCNSA-N 1 0 458.031 4.748 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc([C@H](C)Oc4ccccc4F)n3CCC[N@@H+](C)C(C)C)C2)c1 ZINC001492620370 1066689837 /nfs/dbraw/zinc/68/98/37/1066689837.db2.gz DGTDRRVZRHRTQH-VXKWHMMOSA-N 1 0 483.636 4.634 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)C2)c1 ZINC001492620481 1066690764 /nfs/dbraw/zinc/69/07/64/1066690764.db2.gz GSSFVEWRPFKZRL-BJKOFHAPSA-N 1 0 479.673 4.722 20 0 JJADRO Cc1cnn(CC2CCN(c3nnc(Cc4ccccc4C)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001492622233 1066693307 /nfs/dbraw/zinc/69/33/07/1066693307.db2.gz IURKDOMPJAOTSB-UHFFFAOYSA-N 1 0 477.701 4.718 20 0 JJADRO CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NC[C@@H]2CCCC[N@@H+]2C)c1=S ZINC001456799342 1066693489 /nfs/dbraw/zinc/69/34/89/1066693489.db2.gz QGVDXJCEPGLXRE-IBGZPJMESA-N 1 0 450.052 4.525 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(Cl)cc(F)c2Br)cc1 ZINC001446354748 1066695613 /nfs/dbraw/zinc/69/56/13/1066695613.db2.gz PSYSYVCKQDVZGO-GOSISDBHSA-N 1 0 455.755 4.817 20 0 JJADRO O=C(NCC1(c2cccc(Br)c2)CCCC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001446364050 1066696984 /nfs/dbraw/zinc/69/69/84/1066696984.db2.gz GUPGYNRXAZNWOB-HXUWFJFHSA-N 1 0 456.428 4.684 20 0 JJADRO CC(C)Oc1ccc(Br)cc1NC(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001446388558 1066700451 /nfs/dbraw/zinc/70/04/51/1066700451.db2.gz GDVICGWYAOFFRL-UHFFFAOYSA-N 1 0 458.447 4.528 20 0 JJADRO CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(OC(C)C)c1)[NH+]1CCCC1 ZINC001545986197 1066707015 /nfs/dbraw/zinc/70/70/15/1066707015.db2.gz ASGRVMOUCNZVCO-LADGPHEKSA-N 1 0 455.647 4.818 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C(C)C)[NH+]1CCCC1 ZINC001545986346 1066707530 /nfs/dbraw/zinc/70/75/30/1066707530.db2.gz DNDIAZHTYSCTTE-RTWAWAEBSA-N 1 0 462.683 4.502 20 0 JJADRO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001456863774 1066709100 /nfs/dbraw/zinc/70/91/00/1066709100.db2.gz JNGWOSMGEPDTIS-HXUWFJFHSA-N 1 0 451.380 4.755 20 0 JJADRO CC[C@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)NC(=O)OC(C)(C)C ZINC001545987071 1066712703 /nfs/dbraw/zinc/71/27/03/1066712703.db2.gz OPKRUCUPUZYXCZ-XMMPIXPASA-N 1 0 496.700 4.870 20 0 JJADRO Cc1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001446511295 1066712991 /nfs/dbraw/zinc/71/29/91/1066712991.db2.gz GAERGLVYEVNBPQ-QGZVFWFLSA-N 1 0 457.500 4.550 20 0 JJADRO Cc1c(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001446518792 1066713545 /nfs/dbraw/zinc/71/35/45/1066713545.db2.gz SBZYYNIQXAHMTK-MRXNPFEDSA-N 1 0 457.500 4.550 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC001492633467 1066714986 /nfs/dbraw/zinc/71/49/86/1066714986.db2.gz ZXCJXKNTJRDHNH-QZTJIDSGSA-N 1 0 474.719 4.612 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(Cc4ccccc4C)n3CC(C)(C)C[NH+](C)C)CC2)s1 ZINC001492633688 1066715536 /nfs/dbraw/zinc/71/55/36/1066715536.db2.gz LDTLDVIILQUSAS-UHFFFAOYSA-N 1 0 466.699 4.914 20 0 JJADRO C[N@@H+]1CCN(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C2(CCCCC2)C1 ZINC001456910707 1066719636 /nfs/dbraw/zinc/71/96/36/1066719636.db2.gz IHMYSBGKKBXHKD-UHFFFAOYSA-N 1 0 451.398 4.843 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001456914835 1066720743 /nfs/dbraw/zinc/72/07/43/1066720743.db2.gz OVAIHPJDQLOPJR-UODIDJSMSA-N 1 0 477.649 4.678 20 0 JJADRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)CC2)CC1 ZINC001446617493 1066726184 /nfs/dbraw/zinc/72/61/84/1066726184.db2.gz RSPKOSFPKXWYMF-ACBHZAAOSA-N 1 0 452.426 4.506 20 0 JJADRO COc1cc(Br)c(Cl)cc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001456938944 1066726482 /nfs/dbraw/zinc/72/64/82/1066726482.db2.gz MUOHTRKZZUOCMD-INIZCTEOSA-N 1 0 451.792 4.705 20 0 JJADRO CCOC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001446641995 1066727595 /nfs/dbraw/zinc/72/75/95/1066727595.db2.gz XUIUFBMMJMACJR-DOEKTCAHSA-N 1 0 462.634 4.793 20 0 JJADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc4[nH]cc(I)c4c3)c2C1 ZINC001446638885 1066727644 /nfs/dbraw/zinc/72/76/44/1066727644.db2.gz PAXZSUKPEMRLLJ-UHFFFAOYSA-N 1 0 459.331 4.996 20 0 JJADRO CCOC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001446642103 1066728272 /nfs/dbraw/zinc/72/82/72/1066728272.db2.gz XUIUFBMMJMACJR-FXVJXKIMSA-N 1 0 462.634 4.793 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001546085930 1066735358 /nfs/dbraw/zinc/73/53/58/1066735358.db2.gz VLIGMGFWXPOJKS-LVXARBLLSA-N 1 0 455.647 4.614 20 0 JJADRO COc1ccc(Cl)cc1CC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456982650 1066735573 /nfs/dbraw/zinc/73/55/73/1066735573.db2.gz JQVTYYXPCCFERB-SFHVURJKSA-N 1 0 454.920 4.804 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@@H](C)[NH+](C)C)C2)n1 ZINC001492643010 1066737799 /nfs/dbraw/zinc/73/77/99/1066737799.db2.gz XJQDGKSESYQUAX-IEBWSBKVSA-N 1 0 459.063 4.621 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001492642979 1066737849 /nfs/dbraw/zinc/73/78/49/1066737849.db2.gz WSHMTYIMRWKHCL-HSALFYBXSA-N 1 0 474.719 4.612 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001546086003 1066737980 /nfs/dbraw/zinc/73/79/80/1066737980.db2.gz XBYTVOYGUNWLMQ-HTAPYJJXSA-N 1 0 496.519 4.895 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC001492643145 1066738790 /nfs/dbraw/zinc/73/87/90/1066738790.db2.gz ZWKUOCUPBWXJRY-JOCHJYFZSA-N 1 0 482.698 4.614 20 0 JJADRO Cc1sc(Br)nc1C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001457035343 1066749608 /nfs/dbraw/zinc/74/96/08/1066749608.db2.gz HHWSHLMYQSMOIZ-UHFFFAOYSA-N 1 0 458.425 4.988 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001492647124 1066750998 /nfs/dbraw/zinc/75/09/98/1066750998.db2.gz XTADVQUHAMACLO-YADHBBJMSA-N 1 0 457.619 4.968 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001492647542 1066751938 /nfs/dbraw/zinc/75/19/38/1066751938.db2.gz OUSLZLJOLAHNEP-HXUWFJFHSA-N 1 0 452.672 4.782 20 0 JJADRO Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001492648364 1066753906 /nfs/dbraw/zinc/75/39/06/1066753906.db2.gz RVYAMEMKQXQMQN-LJQANCHMSA-N 1 0 486.711 4.540 20 0 JJADRO Cc1csc(CN(C)c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001492648371 1066754035 /nfs/dbraw/zinc/75/40/35/1066754035.db2.gz SFMRMLCKYHBGGT-HXUWFJFHSA-N 1 0 453.656 4.638 20 0 JJADRO CCCc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nnn1-c1cccc(C(C)C)c1 ZINC001457095146 1066760875 /nfs/dbraw/zinc/76/08/75/1066760875.db2.gz LJZYMVINWCKXGW-OFVILXPXSA-N 1 0 459.638 4.984 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001457103175 1066762943 /nfs/dbraw/zinc/76/29/43/1066762943.db2.gz RSFMGWHJSWVZCR-OXQOHEQNSA-N 1 0 454.368 4.745 20 0 JJADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccn(-c4ccc(Cl)cc4Cl)n3)CC2)c1 ZINC001447011501 1066765563 /nfs/dbraw/zinc/76/55/63/1066765563.db2.gz RPDRTOJGHCMFKD-UHFFFAOYSA-N 1 0 458.393 4.638 20 0 JJADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC001545991730 1066766641 /nfs/dbraw/zinc/76/66/41/1066766641.db2.gz YHRSENYOMYIWTR-SFHVURJKSA-N 1 0 456.428 4.998 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001546087385 1066766621 /nfs/dbraw/zinc/76/66/21/1066766621.db2.gz LEDGIWYIAHZSMX-XMMPIXPASA-N 1 0 461.054 4.655 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001546087017 1066769677 /nfs/dbraw/zinc/76/96/77/1066769677.db2.gz DHMDYVICJUJMAC-FTJBHMTQSA-N 1 0 471.715 4.685 20 0 JJADRO Cc1nc(C)c(CCn2c(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)s1 ZINC001492656965 1066769993 /nfs/dbraw/zinc/76/99/93/1066769993.db2.gz KFRDTNZFPCFMIF-OAQYLSRUSA-N 1 0 452.672 4.602 20 0 JJADRO O=C(NCCOc1c(Cl)cc(Br)cc1Cl)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001447112594 1066775715 /nfs/dbraw/zinc/77/57/15/1066775715.db2.gz XOKYHVNQRLKEMU-MRXNPFEDSA-N 1 0 450.204 4.658 20 0 JJADRO O=C(Nc1ccc(F)c(Br)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001457161376 1066776203 /nfs/dbraw/zinc/77/62/03/1066776203.db2.gz HNWRFGUBMDYVAB-IAGOWNOFSA-N 1 0 460.372 4.899 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc4ccccc4o3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001492662818 1066782834 /nfs/dbraw/zinc/78/28/34/1066782834.db2.gz XVCHVCRZNJPMLJ-KRWDZBQOSA-N 1 0 452.628 4.918 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C3CCC(C)CC3)n2C[C@@H](c2ccccc2)[NH+](C)C)cs1 ZINC001492663722 1066783882 /nfs/dbraw/zinc/78/38/82/1066783882.db2.gz HQJJMUIIDDEBLN-CKRJSAQMSA-N 1 0 452.672 4.952 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@@H](c2cccs2)[NH+](C)C)cs1 ZINC001492665913 1066788291 /nfs/dbraw/zinc/78/82/91/1066788291.db2.gz CGXOQXHFKWAMEJ-FQEVSTJZSA-N 1 0 488.633 4.913 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cs1 ZINC001492666086 1066789306 /nfs/dbraw/zinc/78/93/06/1066789306.db2.gz GTPVABFDPKILPS-MWTRTKDXSA-N 1 0 473.716 4.546 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)o3)n2CC[N@H+](C)C2CCCC2)cs1 ZINC001492666241 1066790503 /nfs/dbraw/zinc/79/05/03/1066790503.db2.gz MEJPMTHPWSRFJM-UHFFFAOYSA-N 1 0 493.475 4.500 20 0 JJADRO C[N@@H+]1CCCC[C@H]1C(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447316163 1066791084 /nfs/dbraw/zinc/79/10/84/1066791084.db2.gz QGAFUMUZDKNJGR-NSOVKSMOSA-N 1 0 458.602 4.812 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H](c2ccco2)[NH+](C)C)cs1 ZINC001492666565 1066792425 /nfs/dbraw/zinc/79/24/25/1066792425.db2.gz YWOFMSRWCMZAGR-KRWDZBQOSA-N 1 0 477.059 4.881 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccsc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492666813 1066792486 /nfs/dbraw/zinc/79/24/86/1066792486.db2.gz IYLJQCYPJXXTEU-HDICACEKSA-N 1 0 458.701 4.700 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCCCCC2)CCO1 ZINC001546088807 1066792661 /nfs/dbraw/zinc/79/26/61/1066792661.db2.gz BPGCGJVERVMKDL-HSZRJFAPSA-N 1 0 476.463 4.589 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@H]3CCCO[C@@H]3c3ccccc3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001492667891 1066794871 /nfs/dbraw/zinc/79/48/71/1066794871.db2.gz RWKNBRWZTRCYLX-RCZVLFRGSA-N 1 0 482.698 4.578 20 0 JJADRO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001457231280 1066795529 /nfs/dbraw/zinc/79/55/29/1066795529.db2.gz STFCERQGXVIEQJ-QPPBQGQZSA-N 1 0 458.606 4.962 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001457237558 1066796642 /nfs/dbraw/zinc/79/66/42/1066796642.db2.gz JDKAPOBMRYAYCB-DMDCLOPFSA-N 1 0 453.671 4.801 20 0 JJADRO CS[C@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCCC1 ZINC001447358371 1066797961 /nfs/dbraw/zinc/79/79/61/1066797961.db2.gz AEZXLVZWYJLYPP-VXKWHMMOSA-N 1 0 455.624 4.839 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCOc3ccccc3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)cs1 ZINC001492669470 1066798157 /nfs/dbraw/zinc/79/81/57/1066798157.db2.gz WWZDBNLYWOSBCP-OAQYLSRUSA-N 1 0 482.698 4.578 20 0 JJADRO CS[C@@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)C[C@@H]1[NH+]1CCCC1 ZINC001447362547 1066798437 /nfs/dbraw/zinc/79/84/37/1066798437.db2.gz MFJHXSWMWWDOQH-QFBILLFUSA-N 1 0 451.455 4.829 20 0 JJADRO CS[C@@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)C[C@H]1[NH+]1CCCC1 ZINC001447362554 1066798466 /nfs/dbraw/zinc/79/84/66/1066798466.db2.gz MFJHXSWMWWDOQH-VQIMIIECSA-N 1 0 451.455 4.829 20 0 JJADRO CCN(C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001447361488 1066798502 /nfs/dbraw/zinc/79/85/02/1066798502.db2.gz RWGIWICHTRAQCZ-XTEPFMGCSA-N 1 0 458.602 4.812 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001492671342 1066802031 /nfs/dbraw/zinc/80/20/31/1066802031.db2.gz VBZWPUKASZPYIJ-DRSNIGMVSA-N 1 0 456.635 4.558 20 0 JJADRO CCCOc1c(Br)cc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC001457278938 1066802643 /nfs/dbraw/zinc/80/26/43/1066802643.db2.gz RXIWHMGLDFLZAJ-UHFFFAOYSA-N 1 0 453.421 4.773 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@@H](c4ccccc4)C[C@H]3C)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492671737 1066803081 /nfs/dbraw/zinc/80/30/81/1066803081.db2.gz DCZYKFKFMISZSN-NQIIRXRSSA-N 1 0 452.672 4.604 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001492671992 1066803889 /nfs/dbraw/zinc/80/38/89/1066803889.db2.gz KJLUKRLQEQQPFW-SIKLNZKXSA-N 1 0 470.662 4.948 20 0 JJADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545995679 1066807902 /nfs/dbraw/zinc/80/79/02/1066807902.db2.gz WSSIQOZMFVKECN-VWPQPMDRSA-N 1 0 488.721 4.623 20 0 JJADRO Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCC(C)(C)[NH2+]C(C)(C)C3)[C@@H]2c2cccs2)cc1 ZINC001457316671 1066808725 /nfs/dbraw/zinc/80/87/25/1066808725.db2.gz ZIZYAMYGTKQQON-NZQKXSOJSA-N 1 0 453.652 4.920 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492675015 1066810259 /nfs/dbraw/zinc/81/02/59/1066810259.db2.gz LROWMOHRJKVEGC-UHFFFAOYSA-N 1 0 472.625 4.779 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(OC4CCC(C)CC4)CC3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492675993 1066811571 /nfs/dbraw/zinc/81/15/71/1066811571.db2.gz RCAJRGHUUYVJIP-UHFFFAOYSA-N 1 0 488.746 4.786 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546089520 1066812437 /nfs/dbraw/zinc/81/24/37/1066812437.db2.gz QSCKACYTBSQDPK-KHCICDEESA-N 1 0 490.490 4.833 20 0 JJADRO CN1CC[NH+](CC2(C)CCN(C(=O)/C(=C/c3cccc(Cl)c3)c3cccs3)CC2)CC1 ZINC001447485506 1066814122 /nfs/dbraw/zinc/81/41/22/1066814122.db2.gz JELXCUMOLQINHO-RELWKKBWSA-N 1 0 458.071 4.818 20 0 JJADRO CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCCC1 ZINC001545996658 1066814528 /nfs/dbraw/zinc/81/45/28/1066814528.db2.gz AZPXOTKYOOFFML-OAHLLOKOSA-N 1 0 470.395 4.921 20 0 JJADRO CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)CC1 ZINC001447490872 1066815438 /nfs/dbraw/zinc/81/54/38/1066815438.db2.gz WKFLQPOUQPMVEY-SFHVURJKSA-N 1 0 453.471 4.621 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001492677047 1066815381 /nfs/dbraw/zinc/81/53/81/1066815381.db2.gz URUSCSXTCACOLS-WMZOPIPTSA-N 1 0 470.609 4.533 20 0 JJADRO CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545996860 1066816745 /nfs/dbraw/zinc/81/67/45/1066816745.db2.gz FTYAAWRDRFHYQR-DNQXCXABSA-N 1 0 496.700 4.545 20 0 JJADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457363764 1066817063 /nfs/dbraw/zinc/81/70/63/1066817063.db2.gz NJCQBVLROLQQAW-HFJWLAOPSA-N 1 0 455.599 4.652 20 0 JJADRO CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001545997064 1066818895 /nfs/dbraw/zinc/81/88/95/1066818895.db2.gz JEDJSVSIKGKMLM-NOZRDPDXSA-N 1 0 453.675 4.551 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[NH+](C(C)C)C(C)C)cs1 ZINC001492679074 1066820606 /nfs/dbraw/zinc/82/06/06/1066820606.db2.gz UNAJUXDRHVRURI-OAQYLSRUSA-N 1 0 462.708 4.537 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC001447554959 1066820745 /nfs/dbraw/zinc/82/07/45/1066820745.db2.gz HXNXRAPAMVWZJB-LYHRCORUSA-N 1 0 479.612 4.890 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492679270 1066821324 /nfs/dbraw/zinc/82/13/24/1066821324.db2.gz YGVFAGOALBEGSI-RDPSFJRHSA-N 1 0 496.725 4.938 20 0 JJADRO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OC ZINC001545997239 1066821488 /nfs/dbraw/zinc/82/14/88/1066821488.db2.gz LSDZOZBUMBVXBV-BWKNWUBXSA-N 1 0 471.665 4.914 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](c4nc(C)c(C)s4)C3)n2CCC[N@@H+](C)C(C)C)cs1 ZINC001492679354 1066822040 /nfs/dbraw/zinc/82/20/40/1066822040.db2.gz ZVYPIVWZAQWNGF-FQEVSTJZSA-N 1 0 487.743 4.821 20 0 JJADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC001447567598 1066823284 /nfs/dbraw/zinc/82/32/84/1066823284.db2.gz JVVWBTIOIVOEFQ-UHFFFAOYSA-N 1 0 459.377 4.560 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492682327 1066824717 /nfs/dbraw/zinc/82/47/17/1066824717.db2.gz VEOSBILXRLXSBY-RDPSFJRHSA-N 1 0 496.725 4.796 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545997987 1066826006 /nfs/dbraw/zinc/82/60/06/1066826006.db2.gz ZSYFBBNMMRBMNT-CUBQBAPOSA-N 1 0 467.702 4.955 20 0 JJADRO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cs1 ZINC001492684051 1066828649 /nfs/dbraw/zinc/82/86/49/1066828649.db2.gz PXUACFBVKGPTAE-MSOLQXFVSA-N 1 0 470.712 4.705 20 0 JJADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2scc(Br)c2c1 ZINC001447623262 1066830480 /nfs/dbraw/zinc/83/04/80/1066830480.db2.gz YPTVXUCLVGIKLJ-SFHVURJKSA-N 1 0 459.409 4.551 20 0 JJADRO Nc1cc(CCCCNC(=O)c2cc(Br)ccc2OCc2ccccc2)cc[nH+]1 ZINC001457429703 1066830442 /nfs/dbraw/zinc/83/04/42/1066830442.db2.gz QIPSYQSVUAUQKR-UHFFFAOYSA-N 1 0 454.368 4.758 20 0 JJADRO C[C@@H](CCNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[NH+]1CCCCC1 ZINC001447625837 1066830990 /nfs/dbraw/zinc/83/09/90/1066830990.db2.gz ZAFJMPYXODSAOZ-AWEZNQCLSA-N 1 0 456.427 4.563 20 0 JJADRO CC[NH+](CC)CCCC1CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC001447624936 1066831011 /nfs/dbraw/zinc/83/10/11/1066831011.db2.gz ILNPKMKMSHUMAX-UHFFFAOYSA-N 1 0 453.318 4.980 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cs1 ZINC001492685977 1066831465 /nfs/dbraw/zinc/83/14/65/1066831465.db2.gz PTFLHVLOXWXJKA-FVJLSDCUSA-N 1 0 480.673 4.872 20 0 JJADRO Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)(C)C)CC2)cs1 ZINC001492686545 1066831571 /nfs/dbraw/zinc/83/15/71/1066831571.db2.gz DFIGLQHESJHEOW-FQEVSTJZSA-N 1 0 482.698 4.963 20 0 JJADRO Cc1nc(CCn2c(COc3ccc(F)cc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC001492692178 1066837567 /nfs/dbraw/zinc/83/75/67/1066837567.db2.gz VEZMIBPTTJKWPE-UHFFFAOYSA-N 1 0 486.661 4.560 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)[NH+](C)C)cs1 ZINC001492695125 1066841032 /nfs/dbraw/zinc/84/10/32/1066841032.db2.gz PAGRJPMAGDAWCV-WHSLLNHNSA-N 1 0 458.607 4.614 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)cc1 ZINC001457501494 1066844162 /nfs/dbraw/zinc/84/41/62/1066844162.db2.gz CIRHRMCKHJPKEL-LJAQVGFWSA-N 1 0 455.602 4.726 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001457502106 1066844270 /nfs/dbraw/zinc/84/42/70/1066844270.db2.gz HAKFLDXBFNOHKA-UHFFFAOYSA-N 1 0 452.501 4.986 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@H](C)C2)s1 ZINC001492695856 1066844226 /nfs/dbraw/zinc/84/42/26/1066844226.db2.gz OLZCHWMRMPXGAJ-INIZCTEOSA-N 1 0 489.487 4.841 20 0 JJADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(CSc3nc(C)cs3)cc2)c1 ZINC001447712792 1066845669 /nfs/dbraw/zinc/84/56/69/1066845669.db2.gz QFEDHVOEMLBOSA-UHFFFAOYSA-N 1 0 455.649 4.956 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3cn(C)c4ccccc34)n2CCC[N@@H+](C)C(C)C)s1 ZINC001492697301 1066849018 /nfs/dbraw/zinc/84/90/18/1066849018.db2.gz OKGLSKBSCBHEQI-UHFFFAOYSA-N 1 0 451.644 4.568 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC001492697620 1066849783 /nfs/dbraw/zinc/84/97/83/1066849783.db2.gz ANICCLWSQMAPMZ-UYAOXDASSA-N 1 0 452.672 4.699 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC001492698557 1066851519 /nfs/dbraw/zinc/85/15/19/1066851519.db2.gz BTSSKIMBUOOBRA-GOSISDBHSA-N 1 0 466.680 4.852 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001546091631 1066852335 /nfs/dbraw/zinc/85/23/35/1066852335.db2.gz UBCDYSOADZILLQ-MHZLTWQESA-N 1 0 479.673 4.645 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457531501 1066853663 /nfs/dbraw/zinc/85/36/63/1066853663.db2.gz ATXMMOSPAJKQRI-XMMPIXPASA-N 1 0 451.014 4.808 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457531487 1066853804 /nfs/dbraw/zinc/85/38/04/1066853804.db2.gz ATXMMOSPAJKQRI-DEOSSOPVSA-N 1 0 451.014 4.808 20 0 JJADRO Cc1c(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001457537648 1066854484 /nfs/dbraw/zinc/85/44/84/1066854484.db2.gz NLXCQDAYMGYQFI-QFIPXVFZSA-N 1 0 456.512 4.936 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H](Sc3ccccc3Cl)c3ccccc3)nc2)CC1 ZINC001457544576 1066857334 /nfs/dbraw/zinc/85/73/34/1066857334.db2.gz XRWGAXCBRAYNJU-HSZRJFAPSA-N 1 0 453.011 4.959 20 0 JJADRO Cc1ccc(/C=C\c2cc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)c3cc(Br)ccc3n2)o1 ZINC001457559601 1066861413 /nfs/dbraw/zinc/86/14/13/1066861413.db2.gz RRLQCSGATUPPGB-WRLNGNIRSA-N 1 0 454.368 4.751 20 0 JJADRO Cc1ccc(OCCC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(Br)c1 ZINC001457564628 1066863548 /nfs/dbraw/zinc/86/35/48/1066863548.db2.gz KIUUIECQWBRPHM-RTBURBONSA-N 1 0 459.428 4.799 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)[NH+](C)C ZINC001447812302 1066865145 /nfs/dbraw/zinc/86/51/45/1066865145.db2.gz DGACETAHZYQCIE-IERDGZPVSA-N 1 0 457.500 4.969 20 0 JJADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2Cl)cc1 ZINC001457587707 1066872023 /nfs/dbraw/zinc/87/20/23/1066872023.db2.gz OOWXBPACOQTFKV-UHFFFAOYSA-N 1 0 454.880 4.821 20 0 JJADRO COc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001457610461 1066877984 /nfs/dbraw/zinc/87/79/84/1066877984.db2.gz GDTMCIJWAHLBQN-NRFANRHFSA-N 1 0 452.426 4.945 20 0 JJADRO CCO[C@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C)C1CCOCC1 ZINC001457615083 1066879046 /nfs/dbraw/zinc/87/90/46/1066879046.db2.gz XCCHJMRGLCQFTI-VXKWHMMOSA-N 1 0 459.458 4.740 20 0 JJADRO Cc1nccnc1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001492713761 1066880250 /nfs/dbraw/zinc/88/02/50/1066880250.db2.gz VGWQXYYWVAZIHL-UHFFFAOYSA-N 1 0 474.440 4.560 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001492716881 1066882729 /nfs/dbraw/zinc/88/27/29/1066882729.db2.gz BIOKDRJDVRSCFL-QGZVFWFLSA-N 1 0 488.055 4.845 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001492717186 1066883772 /nfs/dbraw/zinc/88/37/72/1066883772.db2.gz MLIBJGXAKKYQPF-GOSISDBHSA-N 1 0 470.065 4.706 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1CCCCC[NH+]1CCCC1 ZINC001492717369 1066884308 /nfs/dbraw/zinc/88/43/08/1066884308.db2.gz AYCFTSJFBDHHFB-UHFFFAOYSA-N 1 0 470.065 4.851 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCC[NH+]1CCCC1 ZINC001492717525 1066884881 /nfs/dbraw/zinc/88/48/81/1066884881.db2.gz TVNUCXQMZUWLEC-UHFFFAOYSA-N 1 0 488.055 4.990 20 0 JJADRO Cc1ccccc1COc1cccc(CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC001457627993 1066884936 /nfs/dbraw/zinc/88/49/36/1066884936.db2.gz ZIJCYAULZMXZBL-UHFFFAOYSA-N 1 0 458.606 4.681 20 0 JJADRO CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)CC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001546002058 1066889440 /nfs/dbraw/zinc/88/94/40/1066889440.db2.gz YVBGOPZYKPAWSD-HSZRJFAPSA-N 1 0 466.699 4.953 20 0 JJADRO CN(C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(C)(C)C[NH+]1CCCCCC1 ZINC001448020510 1066890639 /nfs/dbraw/zinc/89/06/39/1066890639.db2.gz BEZCSAZBZNWSLH-UHFFFAOYSA-N 1 0 457.659 4.635 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)CCOc1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001448061733 1066895280 /nfs/dbraw/zinc/89/52/80/1066895280.db2.gz GYQYXUOPRWDVMK-QGZVFWFLSA-N 1 0 459.306 4.656 20 0 JJADRO CN(C)c1cc(Br)cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC001448068506 1066895782 /nfs/dbraw/zinc/89/57/82/1066895782.db2.gz QSINLEUBQXCBLY-GOSISDBHSA-N 1 0 458.322 4.567 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)c1cccc(C(F)(F)F)c1 ZINC001448072343 1066896999 /nfs/dbraw/zinc/89/69/99/1066896999.db2.gz YTTBJVSRGWEUEN-TZIWHRDSSA-N 1 0 453.892 4.661 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128283 1066902973 /nfs/dbraw/zinc/90/29/73/1066902973.db2.gz XHVNUZOKQWBZIU-NHTMILBNSA-N 1 0 459.675 4.933 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@H](c2c(F)cccc2F)N(C)C)n1 ZINC001492732119 1066903681 /nfs/dbraw/zinc/90/36/81/1066903681.db2.gz JMEJGUBUEDFLHC-GHTZIAJQSA-N 1 0 483.567 4.511 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001492732562 1066905599 /nfs/dbraw/zinc/90/55/99/1066905599.db2.gz RKLRSKOQNFUVDA-FPOVZHCZSA-N 1 0 455.676 4.663 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492733783 1066907381 /nfs/dbraw/zinc/90/73/81/1066907381.db2.gz SLJORXCGVQHZQG-TXTKFYIRSA-N 1 0 455.695 4.665 20 0 JJADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2ccc(Br)cc2C(F)(F)F)cc1 ZINC001457738013 1066907815 /nfs/dbraw/zinc/90/78/15/1066907815.db2.gz FRUZHXVMQLHFFX-SFHVURJKSA-N 1 0 459.306 4.832 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001492735634 1066909319 /nfs/dbraw/zinc/90/93/19/1066909319.db2.gz DFRPDGDOUVVMOI-FQEVSTJZSA-N 1 0 476.094 4.611 20 0 JJADRO Cc1cc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001457744656 1066909340 /nfs/dbraw/zinc/90/93/40/1066909340.db2.gz NNZBPIHBNHYHAN-UHFFFAOYSA-N 1 0 455.509 4.765 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2Cl)cc1Cl ZINC001457752891 1066911946 /nfs/dbraw/zinc/91/19/46/1066911946.db2.gz LOWGAWDELQKMFX-UHFFFAOYSA-N 1 0 450.410 4.945 20 0 JJADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001457764035 1066913839 /nfs/dbraw/zinc/91/38/39/1066913839.db2.gz LDHYWKAFFDSICL-UHFFFAOYSA-N 1 0 453.384 4.850 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492742090 1066918046 /nfs/dbraw/zinc/91/80/46/1066918046.db2.gz LOXWJLZIHDALOV-AUSIDOKSSA-N 1 0 455.695 4.523 20 0 JJADRO C[C@@H](C(=O)N1CCOc2ccc(Br)cc2C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001448354172 1066919170 /nfs/dbraw/zinc/91/91/70/1066919170.db2.gz MYBQLPMNOBTECY-SFHVURJKSA-N 1 0 457.412 4.513 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492744317 1066919764 /nfs/dbraw/zinc/91/97/64/1066919764.db2.gz MCQQILFYJXDMRH-OYRHEFFESA-N 1 0 469.722 4.769 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492744316 1066919887 /nfs/dbraw/zinc/91/98/87/1066919887.db2.gz MCQQILFYJXDMRH-NHCUHLMSSA-N 1 0 469.722 4.769 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492745878 1066921746 /nfs/dbraw/zinc/92/17/46/1066921746.db2.gz ZZPFGMMBFMMDMG-HOYKHHGWSA-N 1 0 495.638 4.819 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001448408488 1066924534 /nfs/dbraw/zinc/92/45/34/1066924534.db2.gz WHUHBZWBLBXVNB-WXFUMESZSA-N 1 0 457.659 4.688 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492751235 1066925825 /nfs/dbraw/zinc/92/58/25/1066925825.db2.gz VGIRZPRJUWNFNF-VQTJNVASSA-N 1 0 481.611 4.744 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3ccccc3C)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001492751151 1066925889 /nfs/dbraw/zinc/92/58/89/1066925889.db2.gz SFLKPTKOKLWOQP-UKILVPOCSA-N 1 0 463.674 4.766 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492754167 1066926746 /nfs/dbraw/zinc/92/67/46/1066926746.db2.gz RYZGHHLDTPLEFB-RZIGYZOXSA-N 1 0 499.748 4.539 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492754169 1066926856 /nfs/dbraw/zinc/92/68/56/1066926856.db2.gz RYZGHHLDTPLEFB-VPYPWEPUSA-N 1 0 499.748 4.539 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)CC2)n1 ZINC001492758077 1066929805 /nfs/dbraw/zinc/92/98/05/1066929805.db2.gz URGVXUWFINRZLM-XMMPIXPASA-N 1 0 469.722 4.816 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3[N@H+](C)CCCC3(C)C)CC2)n1 ZINC001492759110 1066930463 /nfs/dbraw/zinc/93/04/63/1066930463.db2.gz WNCLKNYTCNBPSO-HSZRJFAPSA-N 1 0 469.722 4.717 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)n1 ZINC001492758718 1066931304 /nfs/dbraw/zinc/93/13/04/1066931304.db2.gz LJQMAXINLIMDRZ-VXKWHMMOSA-N 1 0 483.749 4.963 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(-c4ccccc4)n3CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001492758935 1066931655 /nfs/dbraw/zinc/93/16/55/1066931655.db2.gz QOUUXXGAALJSCD-UHFFFAOYSA-N 1 0 463.674 4.794 20 0 JJADRO Cc1cc(C)n(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001492760801 1066933021 /nfs/dbraw/zinc/93/30/21/1066933021.db2.gz SGQZTSXXOMPVBS-DEOSSOPVSA-N 1 0 493.700 4.859 20 0 JJADRO Cc1cc(C)n(CCCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001492760971 1066933837 /nfs/dbraw/zinc/93/38/37/1066933837.db2.gz XXPKSLPFXWTWOK-NRFANRHFSA-N 1 0 486.064 4.506 20 0 JJADRO CC1(C)CCC[N@H+](CCNC(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 ZINC001448511551 1066934994 /nfs/dbraw/zinc/93/49/94/1066934994.db2.gz WOJQJCKDUSPNAI-UHFFFAOYSA-N 1 0 458.400 4.553 20 0 JJADRO CC1(C)CCC[N@H+](CCNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)C1 ZINC001448512250 1066935090 /nfs/dbraw/zinc/93/50/90/1066935090.db2.gz ZMAUHABCYMLFHW-UHFFFAOYSA-N 1 0 458.400 4.553 20 0 JJADRO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492776169 1066946466 /nfs/dbraw/zinc/94/64/66/1066946466.db2.gz SQVRACAHAMITSI-GPBITIKQSA-N 1 0 488.721 4.710 20 0 JJADRO Cc1nnc(N(C)Cc2csc(Br)c2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492782786 1066948525 /nfs/dbraw/zinc/94/85/25/1066948525.db2.gz YZHRQPYYZMEQNA-HUUCEWRRSA-N 1 0 454.482 4.803 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001546095547 1066950519 /nfs/dbraw/zinc/95/05/19/1066950519.db2.gz OVWFSEVGMBZDPY-DHLKQENFSA-N 1 0 453.656 4.547 20 0 JJADRO Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492795389 1066951030 /nfs/dbraw/zinc/95/10/30/1066951030.db2.gz VLSNXLBRCLLIOF-VLIAUNLRSA-N 1 0 460.445 4.837 20 0 JJADRO Cc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001492804456 1066953561 /nfs/dbraw/zinc/95/35/61/1066953561.db2.gz YUMRSPGNYHRLDK-RUZDIDTESA-N 1 0 496.700 4.582 20 0 JJADRO C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Br)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001457991551 1066953634 /nfs/dbraw/zinc/95/36/34/1066953634.db2.gz HDMRYBIUCWJRGB-CVEARBPZSA-N 1 0 451.792 4.603 20 0 JJADRO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001492804596 1066953847 /nfs/dbraw/zinc/95/38/47/1066953847.db2.gz LHHOSXIDCKOFAH-OAQYLSRUSA-N 1 0 486.705 4.635 20 0 JJADRO Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492845209 1066957047 /nfs/dbraw/zinc/95/70/47/1066957047.db2.gz YBAFRGLYFJEMEC-RDJZCZTQSA-N 1 0 456.582 4.568 20 0 JJADRO Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492845207 1066957262 /nfs/dbraw/zinc/95/72/62/1066957262.db2.gz YBAFRGLYFJEMEC-DOTOQJQBSA-N 1 0 456.582 4.568 20 0 JJADRO Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001492901781 1066959800 /nfs/dbraw/zinc/95/98/00/1066959800.db2.gz MBOSYDKSPYECAC-QGZVFWFLSA-N 1 0 484.998 4.850 20 0 JJADRO CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001546009904 1066960637 /nfs/dbraw/zinc/96/06/37/1066960637.db2.gz BGCZRMYHQBWTET-UXHICEINSA-N 1 0 465.564 4.819 20 0 JJADRO Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492940821 1066960904 /nfs/dbraw/zinc/96/09/04/1066960904.db2.gz DDCRILPDQIGVTQ-SPEDKVCISA-N 1 0 490.490 4.683 20 0 JJADRO C[C@@H]1C[C@@H](CCNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC001458055978 1066962937 /nfs/dbraw/zinc/96/29/37/1066962937.db2.gz DGHWVWCWTZMFIF-UYAOXDASSA-N 1 0 456.512 4.922 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001458057820 1066963654 /nfs/dbraw/zinc/96/36/54/1066963654.db2.gz IEDRPVYBBFCUBC-WMZOPIPTSA-N 1 0 458.393 4.605 20 0 JJADRO COc1cccc(C(=O)c2ccc(C(=O)NCC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458061991 1066964876 /nfs/dbraw/zinc/96/48/76/1066964876.db2.gz XCPZUGQGPBOQSF-FYYLOGMGSA-N 1 0 456.586 4.957 20 0 JJADRO CCOc1ccc(SCC(=O)Nc2c(C)cnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001458092233 1066972342 /nfs/dbraw/zinc/97/23/42/1066972342.db2.gz GRBPNBSZSUHUJT-NRFANRHFSA-N 1 0 450.608 4.768 20 0 JJADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C(F)(F)F ZINC001458093047 1066972650 /nfs/dbraw/zinc/97/26/50/1066972650.db2.gz INVRFIMIFMIPHU-IBGZPJMESA-N 1 0 458.484 4.675 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545721440 1066975651 /nfs/dbraw/zinc/97/56/51/1066975651.db2.gz ACCSVRIYPSDFFS-XXBNENTESA-N 1 0 453.034 4.847 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccc(CNc3ncnc4cc(F)c(Br)cc43)cc2)C[C@@H](C)O1 ZINC001458102421 1066976225 /nfs/dbraw/zinc/97/62/25/1066976225.db2.gz XEWSXWSGRQLTLJ-HUUCEWRRSA-N 1 0 459.363 4.753 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545722099 1066977419 /nfs/dbraw/zinc/97/74/19/1066977419.db2.gz NTFYZWQDOMDCJT-RDGATRHJSA-N 1 0 463.674 4.793 20 0 JJADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@H](Sc3ccccc3F)c3ccccc3)nc2)C1 ZINC001458111483 1066979046 /nfs/dbraw/zinc/97/90/46/1066979046.db2.gz PZLLFZMAZQVUOF-HYBUGGRVSA-N 1 0 450.583 4.833 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2cc(C)on2)n1CCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545723543 1066979116 /nfs/dbraw/zinc/97/91/16/1066979116.db2.gz BCRBCAFAJWESIR-DEOSSOPVSA-N 1 0 450.631 4.875 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545723522 1066979261 /nfs/dbraw/zinc/97/92/61/1066979261.db2.gz ARFPXVKAPHQQGR-QLBJFCOMSA-N 1 0 453.675 4.803 20 0 JJADRO C[C@H](CNc1ncncc1-c1ccc(Br)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC001458112841 1066979511 /nfs/dbraw/zinc/97/95/11/1066979511.db2.gz QKQFTXZSUZEFAL-GOSISDBHSA-N 1 0 452.400 4.529 20 0 JJADRO Cc1nc(CSc2ccc(C(=O)Nc3ccc(N4CC[C@@H]([NH+](C)C)C4)cn3)cc2)cs1 ZINC001458113563 1066979780 /nfs/dbraw/zinc/97/97/80/1066979780.db2.gz ZYRMPTHQHFLWPZ-HXUWFJFHSA-N 1 0 453.637 4.531 20 0 JJADRO CC1CC[NH+](Cc2ccccc2CNC(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001449049865 1066979932 /nfs/dbraw/zinc/97/99/32/1066979932.db2.gz JSVPDYSNKUKIQP-QFIPXVFZSA-N 1 0 457.659 4.962 20 0 JJADRO Cc1nc(CSc2ccc(C(=O)Nc3ccc(N4CC[C@H]([NH+](C)C)C4)cn3)cc2)cs1 ZINC001458113561 1066979800 /nfs/dbraw/zinc/97/98/00/1066979800.db2.gz ZYRMPTHQHFLWPZ-FQEVSTJZSA-N 1 0 453.637 4.531 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001545724016 1066980080 /nfs/dbraw/zinc/98/00/80/1066980080.db2.gz KNTUJINXAKWQAZ-NNWRFLSQSA-N 1 0 453.656 4.657 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545724736 1066981732 /nfs/dbraw/zinc/98/17/32/1066981732.db2.gz WCBWOCPSVAZCLF-YADHBBJMSA-N 1 0 484.092 4.964 20 0 JJADRO COc1ccc(C(=O)Nc2cc(C)nn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001458122376 1066981897 /nfs/dbraw/zinc/98/18/97/1066981897.db2.gz BKVIPHDPVGHHNH-SFHVURJKSA-N 1 0 456.493 4.501 20 0 JJADRO CC(C)(C)c1cc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nc(C(C)(C)C)n1 ZINC001458134533 1066985075 /nfs/dbraw/zinc/98/50/75/1066985075.db2.gz DBSVERNGCFLIKI-NRFANRHFSA-N 1 0 450.675 4.505 20 0 JJADRO CC[C@H](c1nnc(N(CC)C[C@H]2CCCO2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545728071 1066985173 /nfs/dbraw/zinc/98/51/73/1066985173.db2.gz FJJGPPDCRQACIJ-RPWUZVMVSA-N 1 0 453.675 4.947 20 0 JJADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001449171581 1066987529 /nfs/dbraw/zinc/98/75/29/1066987529.db2.gz XFNBQOVXHHDJJM-QUCCMNQESA-N 1 0 454.055 4.677 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001449175408 1066987565 /nfs/dbraw/zinc/98/75/65/1066987565.db2.gz OUPMJWLGPNZMKB-GOTSBHOMSA-N 1 0 455.643 4.585 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)Cc3ccc(Br)c(Cl)c3)C2)s1 ZINC001449180467 1066987802 /nfs/dbraw/zinc/98/78/02/1066987802.db2.gz ZRZKPEQPBUWKQE-INIZCTEOSA-N 1 0 455.849 4.995 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(CCc3ccccc3)n2CCCC[NH+]2CCC(C)CC2)CCO1 ZINC001546097508 1066988370 /nfs/dbraw/zinc/98/83/70/1066988370.db2.gz LRPXCULVCCRMOF-MHZLTWQESA-N 1 0 453.675 4.581 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545731246 1066990168 /nfs/dbraw/zinc/99/01/68/1066990168.db2.gz LVOHJXHTZNXRDY-FCEUIQTBSA-N 1 0 451.615 4.720 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731387 1066991213 /nfs/dbraw/zinc/99/12/13/1066991213.db2.gz NRRNIGFVHBRNTM-VDEOUVHESA-N 1 0 453.675 4.680 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545731948 1066992488 /nfs/dbraw/zinc/99/24/88/1066992488.db2.gz VOQOHMGISFNWMM-DZCCDHAISA-N 1 0 482.698 4.951 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1)c1ccccc1 ZINC001545732141 1066993284 /nfs/dbraw/zinc/99/32/84/1066993284.db2.gz YFJUPOYXSCBCFB-YMPZKCBVSA-N 1 0 496.700 4.654 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545734403 1066997117 /nfs/dbraw/zinc/99/71/17/1066997117.db2.gz RWXXEWDQWYWZSZ-SANMLTNESA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734527 1066997747 /nfs/dbraw/zinc/99/77/47/1066997747.db2.gz UTTHGIMAOAVXKZ-WRALFONMSA-N 1 0 494.728 4.539 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545735531 1066998947 /nfs/dbraw/zinc/99/89/47/1066998947.db2.gz CMNOESFOEITHDA-SDUSCBPUSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545735710 1066999002 /nfs/dbraw/zinc/99/90/02/1066999002.db2.gz FWDPQJHHZBOUPV-NZQKXSOJSA-N 1 0 479.673 4.800 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C)(COC)CC2)n1CC[NH+]1CCCCCC1)c1ccccc1 ZINC001545735960 1066999238 /nfs/dbraw/zinc/99/92/38/1066999238.db2.gz JDKZMBWVOWPHFP-DEOSSOPVSA-N 1 0 453.675 4.949 20 0 JJADRO CC[C@H](Cn1c(COc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001546013103 1066999332 /nfs/dbraw/zinc/99/93/32/1066999332.db2.gz UXKVGJQVFQLFDM-GOSISDBHSA-N 1 0 467.511 4.569 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545735896 1066999459 /nfs/dbraw/zinc/99/94/59/1066999459.db2.gz IDNGLLVTVGFHSO-FSHOYSFVSA-N 1 0 483.701 4.569 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001545736357 1067000069 /nfs/dbraw/zinc/00/00/69/1067000069.db2.gz PHVKTQUGTHNOHC-UNMCSNQZSA-N 1 0 484.689 4.654 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCCC1)c1ccccc1 ZINC001545736648 1067000681 /nfs/dbraw/zinc/00/06/81/1067000681.db2.gz TXTCCDNSOFQSHC-HSZRJFAPSA-N 1 0 496.700 4.799 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C)(COC)CC2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001545736848 1067000913 /nfs/dbraw/zinc/00/09/13/1067000913.db2.gz WCTCLCNQCXSBHX-DEOSSOPVSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC(C)=C(Br)C1)[NH+]1CCCC1 ZINC001546013342 1067002126 /nfs/dbraw/zinc/00/21/26/1067002126.db2.gz ZJMWIXCFMOWYLA-SFHVURJKSA-N 1 0 492.437 4.750 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001545738158 1067002250 /nfs/dbraw/zinc/00/22/50/1067002250.db2.gz CTFNBIGSTFSBPJ-LSCGWGKXSA-N 1 0 453.675 4.539 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545738451 1067002877 /nfs/dbraw/zinc/00/28/77/1067002877.db2.gz IIKDCYSPPLHEOR-RUZDIDTESA-N 1 0 463.674 4.582 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(CO)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545738851 1067003921 /nfs/dbraw/zinc/00/39/21/1067003921.db2.gz PGTHTMOEYCBDAL-JCYRPKCISA-N 1 0 467.702 4.787 20 0 JJADRO CC[C@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC001545739403 1067005134 /nfs/dbraw/zinc/00/51/34/1067005134.db2.gz ZMHFIRKGXLKRHC-VPUSJEBWSA-N 1 0 494.728 4.541 20 0 JJADRO CC[C@H](c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545740696 1067005790 /nfs/dbraw/zinc/00/57/90/1067005790.db2.gz BZFPKUZSMVDBMW-VWLOTQADSA-N 1 0 480.701 4.532 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)CC)c1ccccc1 ZINC001545740762 1067005821 /nfs/dbraw/zinc/00/58/21/1067005821.db2.gz CWHQIHYUVDKIHK-JWQCQUIFSA-N 1 0 466.718 4.861 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545740931 1067006586 /nfs/dbraw/zinc/00/65/86/1067006586.db2.gz GPHXQVMRPPTVRE-CUBQBAPOSA-N 1 0 479.669 4.904 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545740953 1067006834 /nfs/dbraw/zinc/00/68/34/1067006834.db2.gz HBEJOCIXXWXPBA-QPTUXGOLSA-N 1 0 498.716 4.996 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCOCC(F)F)c1ccccc1 ZINC001545741341 1067007593 /nfs/dbraw/zinc/00/75/93/1067007593.db2.gz ORIYYZUJXUKWGJ-JOCHJYFZSA-N 1 0 461.601 4.556 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2ccc(I)cc21 ZINC001458229728 1067008107 /nfs/dbraw/zinc/00/81/07/1067008107.db2.gz PYBPZDGGKYXANP-DNVCBOLYSA-N 1 0 458.347 4.557 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545741692 1067008236 /nfs/dbraw/zinc/00/82/36/1067008236.db2.gz VJBPZTBNFUONKY-VWLOTQADSA-N 1 0 480.701 4.580 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545741835 1067008524 /nfs/dbraw/zinc/00/85/24/1067008524.db2.gz XNVUTCTYBBTUEQ-DHIUTWEWSA-N 1 0 484.689 4.606 20 0 JJADRO CC[C@H](c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545743375 1067009417 /nfs/dbraw/zinc/00/94/17/1067009417.db2.gz IVHYBVXQBOSOHJ-SANMLTNESA-N 1 0 496.744 4.632 20 0 JJADRO COc1ccc(CCCCC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001458242608 1067010401 /nfs/dbraw/zinc/01/04/01/1067010401.db2.gz GMHVHJXCWRVQBH-UBFVSLLYSA-N 1 0 450.623 4.834 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC[S@@](=O)CC)c1ccccc1 ZINC001545745372 1067011717 /nfs/dbraw/zinc/01/17/17/1067011717.db2.gz ANLAQPDWKWAJBB-JJLUAYLQSA-N 1 0 485.742 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC[S@](=O)CC)c1ccccc1 ZINC001545745524 1067011971 /nfs/dbraw/zinc/01/19/71/1067011971.db2.gz CBRRADPAIDTMBN-XOYVIQJVSA-N 1 0 485.742 4.537 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1C[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC001545745565 1067012107 /nfs/dbraw/zinc/01/21/07/1067012107.db2.gz CPHAGGPPNCCYQC-CCDWMCETSA-N 1 0 477.701 4.914 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545745659 1067012322 /nfs/dbraw/zinc/01/23/22/1067012322.db2.gz DUYJHVWHJQZXHI-KYPHJKQUSA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC1CCOCC1)[NH+]1CCCC1 ZINC001546015078 1067012923 /nfs/dbraw/zinc/01/29/23/1067012923.db2.gz UAIIFTBWOLMZOP-OAQYLSRUSA-N 1 0 478.106 4.961 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545745912 1067013527 /nfs/dbraw/zinc/01/35/27/1067013527.db2.gz ICTHKXLLYGLKKR-SKVJQKLOSA-N 1 0 483.701 4.572 20 0 JJADRO CC[C@@H](Cn1c(N2CCC(C(F)(F)F)(C(F)(F)F)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546015261 1067013765 /nfs/dbraw/zinc/01/37/65/1067013765.db2.gz XDEOFGIPQABJLJ-AWEZNQCLSA-N 1 0 455.491 4.771 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545746575 1067014963 /nfs/dbraw/zinc/01/49/63/1067014963.db2.gz RBGPYNWCNYNKSC-UEVCKROQSA-N 1 0 465.646 4.626 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545746573 1067015030 /nfs/dbraw/zinc/01/50/30/1067015030.db2.gz RBGPYNWCNYNKSC-OIBXWCBGSA-N 1 0 465.646 4.626 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccccc1 ZINC001449574058 1067015052 /nfs/dbraw/zinc/01/50/52/1067015052.db2.gz CJMBRMHJYAFRNG-XZOQPEGZSA-N 1 0 457.659 4.954 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1C[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001545746906 1067015596 /nfs/dbraw/zinc/01/55/96/1067015596.db2.gz WZWRWGUALZRTAL-JRFVFWCSSA-N 1 0 494.709 4.537 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545746909 1067016204 /nfs/dbraw/zinc/01/62/04/1067016204.db2.gz XAERNCJXOSUNPX-AGDMDRQQSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H]2C(C)C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545748739 1067018222 /nfs/dbraw/zinc/01/82/22/1067018222.db2.gz FEFHPVDPIVOWMR-GVAUOCQISA-N 1 0 453.675 4.802 20 0 JJADRO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001458274815 1067019015 /nfs/dbraw/zinc/01/90/15/1067019015.db2.gz HIWXLHXPHTYXGX-RXFVGMGFSA-N 1 0 452.595 4.995 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545749501 1067020643 /nfs/dbraw/zinc/02/06/43/1067020643.db2.gz OUUHCQWKQYXXCP-PKTZIBPZSA-N 1 0 482.717 4.539 20 0 JJADRO O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC001458283240 1067020933 /nfs/dbraw/zinc/02/09/33/1067020933.db2.gz JVBINHKRCJLCQO-NZSAHSFTSA-N 1 0 456.505 4.832 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](COC)C2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545749821 1067021072 /nfs/dbraw/zinc/02/10/72/1067021072.db2.gz UMFASTBTUGXRGB-WWNPGLIZSA-N 1 0 451.615 4.579 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1)[NH+]1CCCC1 ZINC001546016316 1067021708 /nfs/dbraw/zinc/02/17/08/1067021708.db2.gz BLDXPGLKWPMBKG-GOTSBHOMSA-N 1 0 482.673 4.861 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ncccc1N(C)C)c1ccccc1 ZINC001545751567 1067024391 /nfs/dbraw/zinc/02/43/91/1067024391.db2.gz HVGKAMLUAQHRFA-HSZRJFAPSA-N 1 0 475.685 4.640 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCc1nccs1)c1ccccc1 ZINC001545751787 1067025550 /nfs/dbraw/zinc/02/55/50/1067025550.db2.gz LFIHNSQZZDSZCC-NRFANRHFSA-N 1 0 452.672 4.830 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1nc(C)c(C)s1)c1ccccc1 ZINC001545752056 1067026754 /nfs/dbraw/zinc/02/67/54/1067026754.db2.gz PZWPXFLLDBHJFX-QFIPXVFZSA-N 1 0 452.672 4.862 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CC2([NH+](C)C)CCCCC2)CCO1 ZINC001546099456 1067032043 /nfs/dbraw/zinc/03/20/43/1067032043.db2.gz FPGLCPXDSVQMFB-AREMUKBSSA-N 1 0 469.674 4.744 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546099489 1067032536 /nfs/dbraw/zinc/03/25/36/1067032536.db2.gz GIWQTGZAPCUUQM-RPLLCQBOSA-N 1 0 469.674 4.681 20 0 JJADRO CC[C@H](c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001545756236 1067033600 /nfs/dbraw/zinc/03/36/00/1067033600.db2.gz DHOZFRVGVCATTJ-UNMCSNQZSA-N 1 0 492.634 4.767 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](OC)C(C)C)c1ccccc1 ZINC001545756845 1067034638 /nfs/dbraw/zinc/03/46/38/1067034638.db2.gz PEKZGBQBDCRAFI-FTBPSBKWSA-N 1 0 453.675 4.802 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545756941 1067035072 /nfs/dbraw/zinc/03/50/72/1067035072.db2.gz QICCLKZKXMQIAT-RUZDIDTESA-N 1 0 493.675 4.800 20 0 JJADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001545757494 1067036221 /nfs/dbraw/zinc/03/62/21/1067036221.db2.gz ZWHIRUVLRJSYPK-ZJSXRUAMSA-N 1 0 496.103 4.925 20 0 JJADRO CC[C@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545758178 1067036641 /nfs/dbraw/zinc/03/66/41/1067036641.db2.gz BAJALHKXWMLQRH-GMAHTHKFSA-N 1 0 492.634 4.625 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545758477 1067037852 /nfs/dbraw/zinc/03/78/52/1067037852.db2.gz HNHVYCUPWYPLQK-CQOQZXRMSA-N 1 0 488.671 4.860 20 0 JJADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001449927267 1067037772 /nfs/dbraw/zinc/03/77/72/1067037772.db2.gz SWUWFVNYQNBGEI-UHFFFAOYSA-N 1 0 452.382 4.802 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545758497 1067038270 /nfs/dbraw/zinc/03/82/70/1067038270.db2.gz IEYYSQXJUABSBW-KBDPUJGOSA-N 1 0 483.701 4.571 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@H](OC)C(C)C)c1ccccc1 ZINC001545758702 1067039585 /nfs/dbraw/zinc/03/95/85/1067039585.db2.gz LPWRZXWSAHLASG-DQEYMECFSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758762 1067039654 /nfs/dbraw/zinc/03/96/54/1067039654.db2.gz MILWMVTXBXSJAP-BJKOFHAPSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H](OC)C(C)C)c1ccccc1 ZINC001545758703 1067039751 /nfs/dbraw/zinc/03/97/51/1067039751.db2.gz LPWRZXWSAHLASG-JWQCQUIFSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758764 1067039999 /nfs/dbraw/zinc/03/99/99/1067039999.db2.gz MILWMVTXBXSJAP-RPWUZVMVSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](C)n1c2ccc(NC(=O)C3CCC([NH+]4CCOCC4)CC3)cc2nc1C(F)(F)F ZINC001449995845 1067040664 /nfs/dbraw/zinc/04/06/64/1067040664.db2.gz IRJHGSMODFGTRE-KLHKWILBSA-N 1 0 452.521 4.856 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001458364648 1067042457 /nfs/dbraw/zinc/04/24/57/1067042457.db2.gz CGTNKNOSLPKCKY-UHFFFAOYSA-N 1 0 455.400 4.633 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001545760913 1067044116 /nfs/dbraw/zinc/04/41/16/1067044116.db2.gz KLBQWNYJQHHHFC-RPWUZVMVSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001545760911 1067044234 /nfs/dbraw/zinc/04/42/34/1067044234.db2.gz KLBQWNYJQHHHFC-BJKOFHAPSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@@H](C(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545761969 1067045854 /nfs/dbraw/zinc/04/58/54/1067045854.db2.gz ZOGMZESXCMVNJW-BJKOFHAPSA-N 1 0 453.675 4.946 20 0 JJADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001450063643 1067046306 /nfs/dbraw/zinc/04/63/06/1067046306.db2.gz HDATZICISKNTOU-LJQANCHMSA-N 1 0 453.435 4.862 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545763543 1067047545 /nfs/dbraw/zinc/04/75/45/1067047545.db2.gz JYWNUWQAQPNEBI-BKULYWANSA-N 1 0 451.615 4.721 20 0 JJADRO Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cs1 ZINC001458386237 1067047897 /nfs/dbraw/zinc/04/78/97/1067047897.db2.gz NMDWLCZEZSDGBR-UHFFFAOYSA-N 1 0 450.608 4.813 20 0 JJADRO CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001458387936 1067048396 /nfs/dbraw/zinc/04/83/96/1067048396.db2.gz QHYVGRHGCHZZPN-BUKVSMQUSA-N 1 0 454.920 4.987 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545764321 1067048853 /nfs/dbraw/zinc/04/88/53/1067048853.db2.gz UFFQBBYJCRKQNF-SDHSZQHLSA-N 1 0 483.701 4.571 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001546100178 1067049635 /nfs/dbraw/zinc/04/96/35/1067049635.db2.gz UNOLRWHOIYNYGZ-MVOZIGHISA-N 1 0 483.701 4.847 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001450113814 1067049611 /nfs/dbraw/zinc/04/96/11/1067049611.db2.gz JMPOEXUHRNUUOP-QFIPXVFZSA-N 1 0 453.030 4.951 20 0 JJADRO CC[C@@H](c1nnc(N2CCSC(CC)(CC)C2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545765404 1067050125 /nfs/dbraw/zinc/05/01/25/1067050125.db2.gz AQROXLUWWNWIAX-XMMPIXPASA-N 1 0 498.785 4.958 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545765422 1067050409 /nfs/dbraw/zinc/05/04/09/1067050409.db2.gz AYYHOAOWFJKJLK-XZOQPEGZSA-N 1 0 484.689 4.654 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545765421 1067050443 /nfs/dbraw/zinc/05/04/43/1067050443.db2.gz AYYHOAOWFJKJLK-GOTSBHOMSA-N 1 0 484.689 4.654 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001450120290 1067051202 /nfs/dbraw/zinc/05/12/02/1067051202.db2.gz RHBJPDGFILQPCO-RSYZFUPGSA-N 1 0 483.697 4.966 20 0 JJADRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)O[C@H](C)C2 ZINC001450126657 1067051486 /nfs/dbraw/zinc/05/14/86/1067051486.db2.gz JUBOEUXHKYOGGD-LNKMKMDRSA-N 1 0 454.636 4.653 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001545766560 1067051944 /nfs/dbraw/zinc/05/19/44/1067051944.db2.gz VIESRWYIWZGRJT-ZODMCCGTSA-N 1 0 453.675 4.682 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)[NH+](C)C)cc1 ZINC001450140395 1067053332 /nfs/dbraw/zinc/05/33/32/1067053332.db2.gz YTDBIWMPSAXNEI-HXUWFJFHSA-N 1 0 459.413 4.594 20 0 JJADRO CSc1ccc([C@H](CNC(=O)c2ccc(Br)cc2OC(C)C)[NH+](C)C)cc1 ZINC001450141075 1067053435 /nfs/dbraw/zinc/05/34/35/1067053435.db2.gz ZIIKDAPZPGQYBR-IBGZPJMESA-N 1 0 451.430 4.991 20 0 JJADRO CSc1ccc([C@H](CNC(=O)c2cc(Br)ccc2OC(F)F)[NH+](C)C)cc1 ZINC001450140087 1067053582 /nfs/dbraw/zinc/05/35/82/1067053582.db2.gz XDPNLLVOVVUYEL-INIZCTEOSA-N 1 0 459.356 4.805 20 0 JJADRO CC[C@H](c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545768591 1067054675 /nfs/dbraw/zinc/05/46/75/1067054675.db2.gz ZPZQISOBUBRPGF-RKCFAAOBSA-N 1 0 481.632 4.892 20 0 JJADRO Cc1ccc(-c2cc(C(=O)Nc3ccnc(OCC[NH+](C)C)c3)c3cnn(C(C)C)c3n2)cc1 ZINC001458420780 1067056944 /nfs/dbraw/zinc/05/69/44/1067056944.db2.gz FMEYXXNKGSRXFC-UHFFFAOYSA-N 1 0 458.566 4.575 20 0 JJADRO Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)Nc1ccccc1C[NH+](C)C ZINC001450219381 1067060916 /nfs/dbraw/zinc/06/09/16/1067060916.db2.gz ODYKVMOBUHRAMM-UHFFFAOYSA-N 1 0 458.628 4.880 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC001450225381 1067061104 /nfs/dbraw/zinc/06/11/04/1067061104.db2.gz HSLKOVFRZRWXGK-UHFFFAOYSA-N 1 0 455.643 4.538 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001450225627 1067061293 /nfs/dbraw/zinc/06/12/93/1067061293.db2.gz IERVHMSWHHHFAB-QFIPXVFZSA-N 1 0 455.643 4.537 20 0 JJADRO COC(=O)Nc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC001458445000 1067061693 /nfs/dbraw/zinc/06/16/93/1067061693.db2.gz ASYZFOCOYHVRMM-YJYMSZOUSA-N 1 0 454.329 4.734 20 0 JJADRO COc1ccc(CC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1OC ZINC001458446461 1067063054 /nfs/dbraw/zinc/06/30/54/1067063054.db2.gz GUWXXHZJPBOOJQ-QVKFZJNVSA-N 1 0 455.357 4.501 20 0 JJADRO CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1)OC ZINC001545773116 1067063409 /nfs/dbraw/zinc/06/34/09/1067063409.db2.gz XJNPMOWWNFSXJA-UHFFFAOYSA-N 1 0 469.674 4.861 20 0 JJADRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cnn(-c3ccccc3F)c1C(F)(F)F)CC2 ZINC001450241622 1067063557 /nfs/dbraw/zinc/06/35/57/1067063557.db2.gz YKVYSVUFXMWVKV-UHFFFAOYSA-N 1 0 452.496 4.757 20 0 JJADRO C[C@@H](NC(=O)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(C2CC2)c1 ZINC001450245190 1067064147 /nfs/dbraw/zinc/06/41/47/1067064147.db2.gz HYIJKQMDKKZJEO-NTKDMRAZSA-N 1 0 451.611 4.767 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449852 1067064419 /nfs/dbraw/zinc/06/44/19/1067064419.db2.gz UCKINDYNAFWLBH-JLTOFOAXSA-N 1 0 453.341 4.717 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449634 1067064595 /nfs/dbraw/zinc/06/45/95/1067064595.db2.gz SGHYEGFFYYQGOK-DENIHFKCSA-N 1 0 459.993 4.678 20 0 JJADRO COc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1Br ZINC001458450467 1067064979 /nfs/dbraw/zinc/06/49/79/1067064979.db2.gz VERPCQZAIAKBPI-KUHUBIRLSA-N 1 0 455.755 4.673 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2cc(Cl)ccc2C)cc1OC ZINC001458468347 1067070102 /nfs/dbraw/zinc/07/01/02/1067070102.db2.gz KQVQWFCBWAPFEI-UHFFFAOYSA-N 1 0 452.382 4.634 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)c2ccc(C)c(Cl)c2)cc1OC ZINC001458470612 1067070622 /nfs/dbraw/zinc/07/06/22/1067070622.db2.gz UKLNKWURGFLBQX-UHFFFAOYSA-N 1 0 452.382 4.634 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC([NH2+]C(C)C)CC1)OC ZINC001545776190 1067070771 /nfs/dbraw/zinc/07/07/71/1067070771.db2.gz ZCJYOIDNHFWTDY-UHFFFAOYSA-N 1 0 450.631 4.665 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)SC ZINC001545779339 1067073957 /nfs/dbraw/zinc/07/39/57/1067073957.db2.gz LQWCJTMMJKNUGG-OAQYLSRUSA-N 1 0 452.672 4.906 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001546101392 1067074352 /nfs/dbraw/zinc/07/43/52/1067074352.db2.gz CERTYPRKPIUDIC-ZYLNGJIFSA-N 1 0 476.065 4.636 20 0 JJADRO CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001545780901 1067076682 /nfs/dbraw/zinc/07/66/82/1067076682.db2.gz MYUPLRLUTIPURH-QHCPKHFHSA-N 1 0 468.690 4.802 20 0 JJADRO CCC(O)(CC)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001546022539 1067077319 /nfs/dbraw/zinc/07/73/19/1067077319.db2.gz HOUWMTBLQYDOCK-IFMALSPDSA-N 1 0 490.092 4.914 20 0 JJADRO CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)CCO1 ZINC001546101731 1067081765 /nfs/dbraw/zinc/08/17/65/1067081765.db2.gz KAHNLVDNOQNPGG-GKAFBRTNSA-N 1 0 483.701 4.724 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)OC ZINC001545789513 1067085769 /nfs/dbraw/zinc/08/57/69/1067085769.db2.gz JWHLVWMJWFKRHP-HSZRJFAPSA-N 1 0 476.669 4.570 20 0 JJADRO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC001545789785 1067086689 /nfs/dbraw/zinc/08/66/89/1067086689.db2.gz TVWSNZHFSNRCNJ-LADGPHEKSA-N 1 0 468.690 4.560 20 0 JJADRO CCC(CC)(Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)SC ZINC001545791400 1067088998 /nfs/dbraw/zinc/08/89/98/1067088998.db2.gz QYAMJASELLNLCS-IFMALSPDSA-N 1 0 471.715 4.667 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568333 1067089188 /nfs/dbraw/zinc/08/91/88/1067089188.db2.gz QHKCFHSAAQZKEN-LVXARBLLSA-N 1 0 457.590 4.734 20 0 JJADRO CCC(CC)(Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)OC ZINC001545791545 1067089431 /nfs/dbraw/zinc/08/94/31/1067089431.db2.gz WYTMXCFHOFBULX-UHFFFAOYSA-N 1 0 471.690 4.588 20 0 JJADRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)C[N@@H+]2C1 ZINC001450555125 1067090872 /nfs/dbraw/zinc/09/08/72/1067090872.db2.gz OHJIDHFBZAIEOZ-IGGJEDBVSA-N 1 0 457.615 4.872 20 0 JJADRO CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CC2CCCCC2)CC1)SC ZINC001545792827 1067091397 /nfs/dbraw/zinc/09/13/97/1067091397.db2.gz NSVVHOMUQRHDLG-UHFFFAOYSA-N 1 0 487.762 4.764 20 0 JJADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(COc4ccccc4Br)cc3)C2)CC1 ZINC001458589626 1067091724 /nfs/dbraw/zinc/09/17/24/1067091724.db2.gz SLZABRVZVVUJSJ-OAQYLSRUSA-N 1 0 457.412 4.832 20 0 JJADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1F ZINC001450596456 1067093112 /nfs/dbraw/zinc/09/31/12/1067093112.db2.gz MQNANJMGBHXRRA-KSSFIOAISA-N 1 0 455.318 4.923 20 0 JJADRO CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545794759 1067093752 /nfs/dbraw/zinc/09/37/52/1067093752.db2.gz NSTHTSQMKZUQEW-UHFFFAOYSA-N 1 0 487.664 4.902 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001546024453 1067094623 /nfs/dbraw/zinc/09/46/23/1067094623.db2.gz FWRCMOMGCMJBJU-UHFFFAOYSA-N 1 0 492.506 4.815 20 0 JJADRO CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545796935 1067097601 /nfs/dbraw/zinc/09/76/01/1067097601.db2.gz SPXYSLLMOUWZEO-YMPZKCBVSA-N 1 0 475.722 4.713 20 0 JJADRO Cc1ccc(NC(=O)c2cc(Cl)cc(F)c2Br)cc1NC(=O)CC[NH+](C)C ZINC001458648206 1067099901 /nfs/dbraw/zinc/09/99/01/1067099901.db2.gz LSIRXZWBODKLOM-UHFFFAOYSA-N 1 0 456.743 4.693 20 0 JJADRO Cc1cc2cc(C(=O)Nc3ccc(C)c(NC(=O)CC[NH+](C)C)c3)oc2c(Br)c1 ZINC001458644508 1067100023 /nfs/dbraw/zinc/10/00/23/1067100023.db2.gz GKWYHOYBTSXZRW-UHFFFAOYSA-N 1 0 458.356 4.955 20 0 JJADRO CCC(CC)[C@H](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)OC ZINC001545798558 1067101170 /nfs/dbraw/zinc/10/11/70/1067101170.db2.gz NAULQZUNIGWOLI-YADHBBJMSA-N 1 0 475.081 4.899 20 0 JJADRO Cc1ccc(NC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)cc1NC(=O)CC[NH+](C)C ZINC001458655141 1067101268 /nfs/dbraw/zinc/10/12/68/1067101268.db2.gz RXXSCXYDIJKTFW-XXBNENTESA-N 1 0 458.400 4.564 20 0 JJADRO CC(C)[C@H]1C[C@@H](CC(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)CCO1 ZINC001450698384 1067106180 /nfs/dbraw/zinc/10/61/80/1067106180.db2.gz XVRNRQJFNPMRLV-PGRDOPGGSA-N 1 0 451.449 4.713 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(F)cc1 ZINC001450704815 1067107467 /nfs/dbraw/zinc/10/74/67/1067107467.db2.gz OCQWRIFYJGAPBT-HSZRJFAPSA-N 1 0 459.521 4.786 20 0 JJADRO Cn1cc(C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)c2cc(F)ccc21 ZINC001450704308 1067107491 /nfs/dbraw/zinc/10/74/91/1067107491.db2.gz XFMRLAQHDUFEBM-UHFFFAOYSA-N 1 0 458.375 4.817 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1)[NH+]1CCOCC1 ZINC001545802868 1067110652 /nfs/dbraw/zinc/11/06/52/1067110652.db2.gz CZFPQAYMGOIJKK-GVXSCFBNSA-N 1 0 469.674 4.505 20 0 JJADRO CCC(CC)[C@H](CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)OC ZINC001545803004 1067111286 /nfs/dbraw/zinc/11/12/86/1067111286.db2.gz GFKSUQUZXYSDAN-KWOQKUFVSA-N 1 0 457.638 4.522 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(Cc2cccc(Cl)c2)CC1)[NH+](C)C ZINC001545804814 1067116992 /nfs/dbraw/zinc/11/69/92/1067116992.db2.gz BWTBEDIBODPYBQ-QHCPKHFHSA-N 1 0 461.098 4.744 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(OC)CC1)[NH+](C)C ZINC001545804967 1067117404 /nfs/dbraw/zinc/11/74/04/1067117404.db2.gz FZDRXOFPHOBRIC-NFBKMPQASA-N 1 0 495.510 4.798 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(C)(C)C)[NH+](C)C ZINC001545804948 1067117594 /nfs/dbraw/zinc/11/75/94/1067117594.db2.gz FIKHNXWYPITUJQ-SFHVURJKSA-N 1 0 453.473 4.884 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+](C)C ZINC001545805048 1067118260 /nfs/dbraw/zinc/11/82/60/1067118260.db2.gz HBHSEQUODZSUFN-QFIPXVFZSA-N 1 0 489.108 4.660 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@@H](C)C1)[NH+](C)C ZINC001545805270 1067118653 /nfs/dbraw/zinc/11/86/53/1067118653.db2.gz KIPUDWLXYRIRGS-KKSFZXQISA-N 1 0 496.469 4.828 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC001545805516 1067120143 /nfs/dbraw/zinc/12/01/43/1067120143.db2.gz OQCJYGZOKCYYPT-MZKRTTBSSA-N 1 0 473.637 4.683 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1C)[NH+]1CCOCC1 ZINC001545805518 1067120208 /nfs/dbraw/zinc/12/02/08/1067120208.db2.gz OQCJYGZOKCYYPT-VIZSFHNOSA-N 1 0 473.637 4.683 20 0 JJADRO CC(C)Cc1ccc([C@H](CNC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)[NH+](C)C)cc1 ZINC001450781619 1067120139 /nfs/dbraw/zinc/12/01/39/1067120139.db2.gz IJMYPJFKIZAWOP-QHCPKHFHSA-N 1 0 451.590 4.761 20 0 JJADRO CC(C)Cc1ccc([C@H](CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)[NH+](C)C)cc1 ZINC001450786936 1067121142 /nfs/dbraw/zinc/12/11/42/1067121142.db2.gz NWVKBUIUASFJEW-SANMLTNESA-N 1 0 455.606 4.711 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001545805885 1067121693 /nfs/dbraw/zinc/12/16/93/1067121693.db2.gz UJLRIKDSUQAWAL-GOSISDBHSA-N 1 0 489.089 4.506 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC=C(C)CC1)[NH+]1CCOCC1 ZINC001545805876 1067121696 /nfs/dbraw/zinc/12/16/96/1067121696.db2.gz UDZZPBQNQKGVHB-QHCPKHFHSA-N 1 0 458.050 4.892 20 0 JJADRO C[C@@H]1[C@@H](NC(=O)[C@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001450801332 1067122551 /nfs/dbraw/zinc/12/25/51/1067122551.db2.gz SDIBCVDOYWYHJD-QPVYNBJUSA-N 1 0 459.609 4.806 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC=C(C)CC1)[NH+](C)C ZINC001545806122 1067122949 /nfs/dbraw/zinc/12/29/49/1067122949.db2.gz ZJSYCFBISINZBR-HXUWFJFHSA-N 1 0 463.468 4.569 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)s2)cc1OC ZINC001450807640 1067123951 /nfs/dbraw/zinc/12/39/51/1067123951.db2.gz XHFYANGYVIISPI-PXNSSMCTSA-N 1 0 451.592 4.529 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545807208 1067124180 /nfs/dbraw/zinc/12/41/80/1067124180.db2.gz CWRYXCLPIOCDGR-YADHBBJMSA-N 1 0 490.574 4.627 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001546026295 1067124197 /nfs/dbraw/zinc/12/41/97/1067124197.db2.gz KKDVLLFVZLINQI-NFBKMPQASA-N 1 0 465.642 4.887 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001545807128 1067124307 /nfs/dbraw/zinc/12/43/07/1067124307.db2.gz BGUREJMGXNPXRU-LJQANCHMSA-N 1 0 490.446 4.529 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1)[NH+](C)C ZINC001545807194 1067124360 /nfs/dbraw/zinc/12/43/60/1067124360.db2.gz CMUYWAPTEIJOKD-VWLOTQADSA-N 1 0 490.700 4.552 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)s2)cc1OC ZINC001450807643 1067124827 /nfs/dbraw/zinc/12/48/27/1067124827.db2.gz XHFYANGYVIISPI-XLIONFOSSA-N 1 0 451.592 4.529 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C)C1)[NH+](C)C ZINC001545807309 1067125063 /nfs/dbraw/zinc/12/50/63/1067125063.db2.gz FZUJFMPTUGOCNY-OXQOHEQNSA-N 1 0 466.095 4.915 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1)[NH+](C)C ZINC001545807460 1067126145 /nfs/dbraw/zinc/12/61/45/1067126145.db2.gz IJJHJTLWZVQFNV-QHCPKHFHSA-N 1 0 495.672 4.570 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCCO1)[NH+](C)C ZINC001545807474 1067126293 /nfs/dbraw/zinc/12/62/93/1067126293.db2.gz IOZFAHAKWZPFPZ-IRLDBZIGSA-N 1 0 492.506 4.998 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC001545807614 1067127025 /nfs/dbraw/zinc/12/70/25/1067127025.db2.gz LHJRVCUWKMNHQJ-XQBPLPMBSA-N 1 0 457.663 4.811 20 0 JJADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC001458743753 1067129544 /nfs/dbraw/zinc/12/95/44/1067129544.db2.gz BITXMSWDESOISN-UHFFFAOYSA-N 1 0 457.949 4.889 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001545807939 1067130207 /nfs/dbraw/zinc/13/02/07/1067130207.db2.gz PTSKMKDOMYQAIP-JQVVWYNYSA-N 1 0 455.647 4.565 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001545807961 1067130239 /nfs/dbraw/zinc/13/02/39/1067130239.db2.gz QBWXEGHTARHFBW-FYYLOGMGSA-N 1 0 491.627 4.572 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCCCC2)C1)[NH+](C)C ZINC001545807978 1067130956 /nfs/dbraw/zinc/13/09/56/1067130956.db2.gz QLFCGESMEKUBMB-XMMPIXPASA-N 1 0 499.700 4.868 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(F)(F)CC1)[NH+](C)C ZINC001545807989 1067131141 /nfs/dbraw/zinc/13/11/41/1067131141.db2.gz QMYCQLGUCUDOND-IBGZPJMESA-N 1 0 465.589 4.564 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1)[NH+](C)C ZINC001545808236 1067133032 /nfs/dbraw/zinc/13/30/32/1067133032.db2.gz VJSCPTKXKNALAM-HWBMXIPRSA-N 1 0 453.675 4.955 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C)[NH+]1CCOCC1 ZINC001545808333 1067133617 /nfs/dbraw/zinc/13/36/17/1067133617.db2.gz WUTLCERXAQEPOO-PGRDOPGGSA-N 1 0 478.106 4.677 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C)[NH+]1CCOCC1 ZINC001545808331 1067133648 /nfs/dbraw/zinc/13/36/48/1067133648.db2.gz WUTLCERXAQEPOO-AVRDEDQJSA-N 1 0 478.106 4.677 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCO1)[NH+](C)C ZINC001545808405 1067134436 /nfs/dbraw/zinc/13/44/36/1067134436.db2.gz XXBCOBGOAAJBMY-NQIIRXRSSA-N 1 0 478.479 4.689 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCO[C@H](C)C1)[NH+](C)C ZINC001545808381 1067134499 /nfs/dbraw/zinc/13/44/99/1067134499.db2.gz XIMDJMIKLKBJDF-IIBYNOLFSA-N 1 0 452.018 4.719 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001546027476 1067136121 /nfs/dbraw/zinc/13/61/21/1067136121.db2.gz ATNPNIKOHFBAJV-UHFFFAOYSA-N 1 0 492.506 4.817 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1)[NH+](C)C ZINC001545809649 1067136360 /nfs/dbraw/zinc/13/63/60/1067136360.db2.gz HYKRNLJDNLBXQX-SQJMNOBHSA-N 1 0 496.679 4.576 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001545809994 1067136902 /nfs/dbraw/zinc/13/69/02/1067136902.db2.gz OILBZTKHUMDFMP-IMSXRSKXSA-N 1 0 469.674 4.573 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545809992 1067136992 /nfs/dbraw/zinc/13/69/92/1067136992.db2.gz OILBZTKHUMDFMP-DPLHUUCSSA-N 1 0 469.674 4.573 20 0 JJADRO O=C(c1ccc(Oc2cccc(Br)c2)cc1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001450968493 1067137341 /nfs/dbraw/zinc/13/73/41/1067137341.db2.gz OZBKOGDLXQUPAE-UHFFFAOYSA-N 1 0 459.384 4.568 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545810126 1067137571 /nfs/dbraw/zinc/13/75/71/1067137571.db2.gz PYYDHBXLZWZNGB-XUZZJYLKSA-N 1 0 452.622 4.783 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@H](C(C)C)C1)[NH+](C)C ZINC001545812590 1067141108 /nfs/dbraw/zinc/14/11/08/1067141108.db2.gz QXARJHAWWODCES-URXFXBBRSA-N 1 0 493.700 4.524 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC001545812490 1067141173 /nfs/dbraw/zinc/14/11/73/1067141173.db2.gz PIYLRNAFHMFJOC-XMSQKQJNSA-N 1 0 479.673 4.833 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC1CCCCC1)[NH+](C)C ZINC001545812849 1067141214 /nfs/dbraw/zinc/14/12/14/1067141214.db2.gz WIPDECDSFSBRSV-DEOSSOPVSA-N 1 0 493.700 4.575 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1)[NH+](C)C ZINC001545813052 1067141942 /nfs/dbraw/zinc/14/19/42/1067141942.db2.gz ZFCSAABRYYJCBU-KOSHJBKYSA-N 1 0 474.644 4.683 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)[NH+](C)C ZINC001545813054 1067141960 /nfs/dbraw/zinc/14/19/60/1067141960.db2.gz ZFCSAABRYYJCBU-UUOWRZLLSA-N 1 0 474.644 4.683 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001546028117 1067141994 /nfs/dbraw/zinc/14/19/94/1067141994.db2.gz XBFTXRBLWLNPTF-GGAORHGYSA-N 1 0 469.674 4.594 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(C)CC1)[NH+](C)C ZINC001545814757 1067143023 /nfs/dbraw/zinc/14/30/23/1067143023.db2.gz GTEQZYDIJYJPNT-GOTSBHOMSA-N 1 0 488.721 4.915 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C)=C(C)C1)[NH+](C)C ZINC001545814609 1067143055 /nfs/dbraw/zinc/14/30/55/1067143055.db2.gz DJQJJUAWLXBVTF-ZJSXRUAMSA-N 1 0 453.631 4.704 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+](C)C ZINC001545815242 1067144737 /nfs/dbraw/zinc/14/47/37/1067144737.db2.gz OBFYFMRDZVPDMP-LEWJYISDSA-N 1 0 467.580 4.940 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+](C)C ZINC001545815244 1067144790 /nfs/dbraw/zinc/14/47/90/1067144790.db2.gz OBFYFMRDZVPDMP-RTWAWAEBSA-N 1 0 467.580 4.940 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(Cc2cccs2)CC1)[NH+](C)C ZINC001545815340 1067144819 /nfs/dbraw/zinc/14/48/19/1067144819.db2.gz PLEBCSMMLVBIRA-HSZRJFAPSA-N 1 0 458.720 4.686 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+](C)C ZINC001545815942 1067145312 /nfs/dbraw/zinc/14/53/12/1067145312.db2.gz XYXYWMIMERWUCP-DEOSSOPVSA-N 1 0 474.644 4.907 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCSC2)C1)[NH+](C)C ZINC001545817196 1067145906 /nfs/dbraw/zinc/14/59/06/1067145906.db2.gz GASGRWLONORTMH-WIOPSUGQSA-N 1 0 477.669 4.847 20 0 JJADRO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC001451095566 1067146108 /nfs/dbraw/zinc/14/61/08/1067146108.db2.gz RBXVVVFFEFRNLI-UHFFFAOYSA-N 1 0 456.546 4.870 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001545816045 1067146111 /nfs/dbraw/zinc/14/61/11/1067146111.db2.gz ZHWKDWXPUPHGDB-XZOQPEGZSA-N 1 0 461.601 4.768 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451109004 1067146716 /nfs/dbraw/zinc/14/67/16/1067146716.db2.gz JKKCJLNGHSROTA-JPYHZWLXSA-N 1 0 481.612 4.700 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001451106516 1067146748 /nfs/dbraw/zinc/14/67/48/1067146748.db2.gz IBGMAERETPNGEM-JPYHZWLXSA-N 1 0 481.612 4.557 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001545817369 1067148613 /nfs/dbraw/zinc/14/86/13/1067148613.db2.gz IUUYLOAKZVRXJK-FYYLOGMGSA-N 1 0 488.746 4.643 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817338 1067148706 /nfs/dbraw/zinc/14/87/06/1067148706.db2.gz IMTJQLZOGILCLF-ZCYQVOJMSA-N 1 0 464.633 4.763 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCC[C@@H](SC)C1)[NH+]1CCOCC1 ZINC001545817392 1067149125 /nfs/dbraw/zinc/14/91/25/1067149125.db2.gz JIMISGSUHANFKN-YADHBBJMSA-N 1 0 465.752 4.726 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+](C)C ZINC001545817636 1067150431 /nfs/dbraw/zinc/15/04/31/1067150431.db2.gz NENUNQRLVCDBAZ-VWLOTQADSA-N 1 0 464.633 4.641 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC001545817593 1067150484 /nfs/dbraw/zinc/15/04/84/1067150484.db2.gz MBMOZKIHCJZFIW-LEWJYISDSA-N 1 0 471.694 4.878 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+](C)C ZINC001545817936 1067151832 /nfs/dbraw/zinc/15/18/32/1067151832.db2.gz SDUROIHQTPSBBJ-NZQKXSOJSA-N 1 0 465.690 4.755 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H]1CC)[NH+]1CCOCC1 ZINC001545817942 1067151920 /nfs/dbraw/zinc/15/19/20/1067151920.db2.gz SEXOJRJRYYHRQY-RPBOFIJWSA-N 1 0 453.675 4.693 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1CC)[NH+]1CCOCC1 ZINC001545817941 1067152003 /nfs/dbraw/zinc/15/20/03/1067152003.db2.gz SEXOJRJRYYHRQY-LOSJGSFVSA-N 1 0 453.675 4.693 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1CC)[NH+]1CCOCC1 ZINC001545817939 1067152018 /nfs/dbraw/zinc/15/20/18/1067152018.db2.gz SEXOJRJRYYHRQY-DQEYMECFSA-N 1 0 453.675 4.693 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545818004 1067152584 /nfs/dbraw/zinc/15/25/84/1067152584.db2.gz UDPBFXMMCAWGBG-RPBOFIJWSA-N 1 0 497.087 4.862 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1)[NH+](C)C ZINC001545818227 1067152611 /nfs/dbraw/zinc/15/26/11/1067152611.db2.gz YAQPBOGNIQGCNM-PXDATVDWSA-N 1 0 489.655 4.766 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1)[NH+](C)C ZINC001545819168 1067153177 /nfs/dbraw/zinc/15/31/77/1067153177.db2.gz AWQCFPQLXIHATN-XZOQPEGZSA-N 1 0 469.703 4.643 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2CCCO2)CC1)[NH+](C)C ZINC001545818321 1067153197 /nfs/dbraw/zinc/15/31/97/1067153197.db2.gz ZPGHEXJTZRICBT-LOSJGSFVSA-N 1 0 471.665 4.770 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)[NH+](C)C ZINC001545819165 1067153266 /nfs/dbraw/zinc/15/32/66/1067153266.db2.gz AWQCFPQLXIHATN-DHIUTWEWSA-N 1 0 469.703 4.643 20 0 JJADRO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@H]([C@H]1CCOC1)C(F)(F)F)C(C)C ZINC001458818434 1067154455 /nfs/dbraw/zinc/15/44/55/1067154455.db2.gz XIHRDCZOHSSELZ-QFBILLFUSA-N 1 0 457.562 4.575 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC2(C1)CCOCC2)[NH+](C)C ZINC001545819780 1067156250 /nfs/dbraw/zinc/15/62/50/1067156250.db2.gz LWRJGIVZXAFFFJ-XMMPIXPASA-N 1 0 469.674 4.539 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001545820024 1067156655 /nfs/dbraw/zinc/15/66/55/1067156655.db2.gz QCFGXZBBCVXEOY-PLXFJCCSSA-N 1 0 483.701 4.785 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545820155 1067157203 /nfs/dbraw/zinc/15/72/03/1067157203.db2.gz RVGLXCKUMZLXNH-NYVOZVTQSA-N 1 0 497.606 4.688 20 0 JJADRO CCC(CC)[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC001545820111 1067157204 /nfs/dbraw/zinc/15/72/04/1067157204.db2.gz RCQWPHAGBJDAQG-VIZSFHNOSA-N 1 0 459.704 4.859 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CC[C@@H](c3ccccc3OC)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545820187 1067158002 /nfs/dbraw/zinc/15/80/02/1067158002.db2.gz SEDKGZCGNDXTSJ-ISKFKSNPSA-N 1 0 483.701 4.715 20 0 JJADRO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC[N@@H+]1CCCC1(C)C)c1cccc(Cl)c1Cl ZINC001451299722 1067157952 /nfs/dbraw/zinc/15/79/52/1067157952.db2.gz ITBRBSLGXYHZFF-GOSISDBHSA-N 1 0 458.430 4.892 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1)[NH+](C)C ZINC001545820266 1067158415 /nfs/dbraw/zinc/15/84/15/1067158415.db2.gz UYBRMGCHQDPMMD-YJMBLLCNSA-N 1 0 476.710 4.652 20 0 JJADRO Cc1cc(C)cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001451299728 1067158681 /nfs/dbraw/zinc/15/86/81/1067158681.db2.gz IWCMYULQOJAWID-UHFFFAOYSA-N 1 0 451.611 4.593 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCS[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001545820371 1067159256 /nfs/dbraw/zinc/15/92/56/1067159256.db2.gz WIGPLATXRXZPSY-DHIUTWEWSA-N 1 0 491.771 4.645 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)CC1)[NH+](C)C ZINC001545820513 1067160002 /nfs/dbraw/zinc/16/00/02/1067160002.db2.gz YRMIDZLNBOWDQM-BDTNDASRSA-N 1 0 476.710 4.652 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545821411 1067161230 /nfs/dbraw/zinc/16/12/30/1067161230.db2.gz CKGRUCMVWXOTJO-ZLNRFVROSA-N 1 0 476.065 4.727 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1)[NH+](C)C ZINC001545822221 1067163636 /nfs/dbraw/zinc/16/36/36/1067163636.db2.gz WQZAAYHIQBGQKE-YCZSINBZSA-N 1 0 461.676 4.524 20 0 JJADRO COC(=O)c1ccoc1CSc1ccccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC001545822477 1067164366 /nfs/dbraw/zinc/16/43/66/1067164366.db2.gz DYGXEDIEJAQSRJ-UHFFFAOYSA-N 1 0 456.608 4.743 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)on1 ZINC001545823515 1067167521 /nfs/dbraw/zinc/16/75/21/1067167521.db2.gz OWFYDXUOODGOBP-MOPGFXCFSA-N 1 0 496.656 4.821 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)on1 ZINC001545823516 1067167603 /nfs/dbraw/zinc/16/76/03/1067167603.db2.gz OWFYDXUOODGOBP-OALUTQOASA-N 1 0 496.656 4.821 20 0 JJADRO CCC(CC)c1cc(Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)on1 ZINC001545825307 1067172076 /nfs/dbraw/zinc/17/20/76/1067172076.db2.gz YXWPSFALHWYAKC-UHFFFAOYSA-N 1 0 468.621 4.726 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001545826142 1067173392 /nfs/dbraw/zinc/17/33/92/1067173392.db2.gz GZRUGUWXSXVEQW-JTSKRJEESA-N 1 0 490.643 4.793 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001545826534 1067174592 /nfs/dbraw/zinc/17/45/92/1067174592.db2.gz PHPDCVNQNDTPAJ-ISCCLHIJSA-N 1 0 468.690 4.904 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545826743 1067175674 /nfs/dbraw/zinc/17/56/74/1067175674.db2.gz SNHABXUFBVSMOF-FGZHOGPDSA-N 1 0 468.690 4.823 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545835376 1067187246 /nfs/dbraw/zinc/18/72/46/1067187246.db2.gz WABQTMGFROUVAF-HXUWFJFHSA-N 1 0 480.657 4.700 20 0 JJADRO CC(C)OCCCn1c(=O)c2ccc(Cl)cc2nc1SCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001458895008 1067188604 /nfs/dbraw/zinc/18/86/04/1067188604.db2.gz NKDSALNTJCAMQU-HDICACEKSA-N 1 0 452.064 4.935 20 0 JJADRO C[C@@H]1[C@H](NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C ZINC001451736978 1067189733 /nfs/dbraw/zinc/18/97/33/1067189733.db2.gz IWQFHKQWKWJTEN-HYBUGGRVSA-N 1 0 451.611 4.836 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C(F)(F)F)n1CC[NH+]1CCC(C)CC1 ZINC001545836575 1067190198 /nfs/dbraw/zinc/19/01/98/1067190198.db2.gz ROVQUXHTXQZBPQ-UHFFFAOYSA-N 1 0 494.606 4.584 20 0 JJADRO COc1ccc([C@@H](CNC(=O)CSc2ncc(-c3ccccc3)o2)[NH+]2CCCCC2)cc1 ZINC001458915854 1067195435 /nfs/dbraw/zinc/19/54/35/1067195435.db2.gz IDSILTWIIMJHLD-JOCHJYFZSA-N 1 0 451.592 4.786 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)C1CCCCC1 ZINC001451877613 1067195725 /nfs/dbraw/zinc/19/57/25/1067195725.db2.gz FKJCDZJIYIRDRF-SFHVURJKSA-N 1 0 450.649 4.712 20 0 JJADRO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc1 ZINC001451873419 1067195959 /nfs/dbraw/zinc/19/59/59/1067195959.db2.gz ANVBPMQTCLBARS-IBGZPJMESA-N 1 0 458.628 4.813 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001545848528 1067200087 /nfs/dbraw/zinc/20/00/87/1067200087.db2.gz CASVQVXISFREJK-KHUIQGCPSA-N 1 0 480.701 4.589 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H]2CC)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001545849139 1067202148 /nfs/dbraw/zinc/20/21/48/1067202148.db2.gz KZIKLMKXXSVQCA-SQJMNOBHSA-N 1 0 480.701 4.734 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545849382 1067202438 /nfs/dbraw/zinc/20/24/38/1067202438.db2.gz OCIIDLHPGFTKKL-QHAWAJNXSA-N 1 0 474.738 4.825 20 0 JJADRO CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC001452151578 1067209999 /nfs/dbraw/zinc/20/99/99/1067209999.db2.gz IBZJUXCWHXKGDQ-UHFFFAOYSA-N 1 0 452.382 4.538 20 0 JJADRO Cc1cc(OCc2ccccc2)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC001458976943 1067215175 /nfs/dbraw/zinc/21/51/75/1067215175.db2.gz XGFVPQYMKOROJG-HSZRJFAPSA-N 1 0 450.604 4.656 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCOc2cccc(Br)c2C1 ZINC001452453257 1067224737 /nfs/dbraw/zinc/22/47/37/1067224737.db2.gz LPUZZXGUJGXIBZ-NHCUHLMSSA-N 1 0 471.439 4.964 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC001452529361 1067232037 /nfs/dbraw/zinc/23/20/37/1067232037.db2.gz JQSUYZIGFNGVGV-QHCPKHFHSA-N 1 0 455.643 4.585 20 0 JJADRO CCC(O)(CC)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001546041454 1067239444 /nfs/dbraw/zinc/23/94/44/1067239444.db2.gz CGFJLNSQXLSDHW-UHFFFAOYSA-N 1 0 473.731 4.988 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)[NH+](C)C ZINC001459072382 1067244892 /nfs/dbraw/zinc/24/48/92/1067244892.db2.gz MSCCCUQEIGEGEG-NUKCWJJBSA-N 1 0 459.634 4.639 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3cccc(F)c3OC(F)(F)F)cc2)C[C@H](C)O1 ZINC001452692649 1067244970 /nfs/dbraw/zinc/24/49/70/1067244970.db2.gz WFJGLDGTCQBBBZ-IYBDPMFKSA-N 1 0 454.464 4.606 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC([NH2+]C(C)C)CC2)O1 ZINC001546045103 1067258678 /nfs/dbraw/zinc/25/86/78/1067258678.db2.gz KYIFKPLDHMZKGN-HEKZAOSPSA-N 1 0 473.637 4.872 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001459139623 1067259000 /nfs/dbraw/zinc/25/90/00/1067259000.db2.gz BSOBIQMAPKGTGC-LADGPHEKSA-N 1 0 454.636 4.765 20 0 JJADRO CC[N@H+](CCCNC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001452896373 1067260588 /nfs/dbraw/zinc/26/05/88/1067260588.db2.gz UAHYKHVSVPKKRP-UHFFFAOYSA-N 1 0 459.631 4.591 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC001452980631 1067270050 /nfs/dbraw/zinc/27/00/50/1067270050.db2.gz YMEJVWGOLWNKSG-GBXCKJPGSA-N 1 0 451.611 4.661 20 0 JJADRO CSc1cccc(Nc2ccc(NC(=O)Cc3csc(SCC[NH+](C)C)n3)nc2)c1 ZINC001452988373 1067271144 /nfs/dbraw/zinc/27/11/44/1067271144.db2.gz XHEDIZSIYGSYQH-UHFFFAOYSA-N 1 0 459.666 4.839 20 0 JJADRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452996975 1067272736 /nfs/dbraw/zinc/27/27/36/1067272736.db2.gz YDWVGAZPFCWAFR-GOSISDBHSA-N 1 0 450.385 4.693 20 0 JJADRO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC001452999783 1067273979 /nfs/dbraw/zinc/27/39/79/1067273979.db2.gz WEZOEFRNUZBHHD-QFIPXVFZSA-N 1 0 454.533 4.544 20 0 JJADRO O=C(NCc1ccc(F)cc1Br)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001459243813 1067276684 /nfs/dbraw/zinc/27/66/84/1067276684.db2.gz QKROZQDNNAPPAW-IBGZPJMESA-N 1 0 459.281 4.659 20 0 JJADRO CCn1c(SCC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)nnc1-c1ccc(Cl)cc1 ZINC001459258045 1067278880 /nfs/dbraw/zinc/27/88/80/1067278880.db2.gz WVUUVNFHJDWTDL-IERDGZPVSA-N 1 0 458.031 4.518 20 0 JJADRO CCn1c(SCC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)nnc1-c1ccc(Cl)cc1 ZINC001459258058 1067278908 /nfs/dbraw/zinc/27/89/08/1067278908.db2.gz WVUUVNFHJDWTDL-KKSFZXQISA-N 1 0 458.031 4.518 20 0 JJADRO C[N@H+](Cc1ccc2nc(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)sc2c1)C1CC1 ZINC001453112977 1067279296 /nfs/dbraw/zinc/27/92/96/1067279296.db2.gz UWNLEDADMICFLA-XMMPIXPASA-N 1 0 458.628 4.866 20 0 JJADRO CC[C@@]1(C)CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)O1 ZINC001546048526 1067289302 /nfs/dbraw/zinc/28/93/02/1067289302.db2.gz NIOBOOLCQYXUEQ-NLFFAJNJSA-N 1 0 477.600 4.815 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001459310875 1067291132 /nfs/dbraw/zinc/29/11/32/1067291132.db2.gz GNBDPIJDUKOJDA-HSZRJFAPSA-N 1 0 451.014 4.842 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001459316865 1067292542 /nfs/dbraw/zinc/29/25/42/1067292542.db2.gz UZPRUSICTQNPMJ-LJQANCHMSA-N 1 0 451.792 4.752 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001459320242 1067294134 /nfs/dbraw/zinc/29/41/34/1067294134.db2.gz ARCTZVFQTNXLGV-QHCPKHFHSA-N 1 0 452.549 4.526 20 0 JJADRO O=C(CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC001459351938 1067301144 /nfs/dbraw/zinc/30/11/44/1067301144.db2.gz XZLCTFHYVZCXSO-UHFFFAOYSA-N 1 0 453.892 4.536 20 0 JJADRO C[C@@H]1N(C(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc2C1(C)C ZINC001453435401 1067306090 /nfs/dbraw/zinc/30/60/90/1067306090.db2.gz BXVWTXAVRJYWCZ-SIKLNZKXSA-N 1 0 451.611 4.725 20 0 JJADRO C[C@@H]1N(C(=O)[C@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc2C1(C)C ZINC001453435425 1067306341 /nfs/dbraw/zinc/30/63/41/1067306341.db2.gz BXVWTXAVRJYWCZ-UGKGYDQZSA-N 1 0 451.611 4.725 20 0 JJADRO C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001459379318 1067308206 /nfs/dbraw/zinc/30/82/06/1067308206.db2.gz OXDQJYZRCBHLIF-NRFANRHFSA-N 1 0 452.668 4.899 20 0 JJADRO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001459379321 1067308359 /nfs/dbraw/zinc/30/83/59/1067308359.db2.gz OXDQJYZRCBHLIF-OAQYLSRUSA-N 1 0 452.668 4.899 20 0 JJADRO COCc1ccccc1CNC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001459392052 1067311612 /nfs/dbraw/zinc/31/16/12/1067311612.db2.gz LBRVZVJNASGKDB-YOSAUDMPSA-N 1 0 452.595 4.505 20 0 JJADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459398581 1067313013 /nfs/dbraw/zinc/31/30/13/1067313013.db2.gz WSNOJNFUPXCLAN-DJPFJPOOSA-N 1 0 454.442 4.674 20 0 JJADRO CC(C)(C)c1ccc2c(c1)CCN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C2 ZINC001459400445 1067313641 /nfs/dbraw/zinc/31/36/41/1067313641.db2.gz RKPAZUFKYVQFAG-VWLOTQADSA-N 1 0 454.058 4.949 20 0 JJADRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1cccc(Br)c1 ZINC001459415008 1067318425 /nfs/dbraw/zinc/31/84/25/1067318425.db2.gz HXQPBYNQOIJQNJ-UHFFFAOYSA-N 1 0 459.363 4.872 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC001459419442 1067320099 /nfs/dbraw/zinc/32/00/99/1067320099.db2.gz ULYOFTCQLDRKQO-HSZRJFAPSA-N 1 0 451.611 4.832 20 0 JJADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001459424133 1067322186 /nfs/dbraw/zinc/32/21/86/1067322186.db2.gz YDCIQDBFSPOAMP-WZONZLPQSA-N 1 0 459.428 4.634 20 0 JJADRO CCCOc1cccc(CNC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)c1 ZINC001459429683 1067324234 /nfs/dbraw/zinc/32/42/34/1067324234.db2.gz ZIXYNLDMAQJKPR-UHFFFAOYSA-N 1 0 452.595 4.901 20 0 JJADRO O=C(c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001453742074 1067326176 /nfs/dbraw/zinc/32/61/76/1067326176.db2.gz YQVXYTCEVOIZAM-HNNXBMFYSA-N 1 0 453.341 4.596 20 0 JJADRO O=C(CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)OC1CCCCC1 ZINC001459463700 1067330768 /nfs/dbraw/zinc/33/07/68/1067330768.db2.gz LHHLEWOEOITXEE-LOSJGSFVSA-N 1 0 469.025 4.938 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC001459467074 1067331972 /nfs/dbraw/zinc/33/19/72/1067331972.db2.gz RQKZKQMDCJRMSI-OAQYLSRUSA-N 1 0 457.659 4.630 20 0 JJADRO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC001459498174 1067339012 /nfs/dbraw/zinc/33/90/12/1067339012.db2.gz VFGFHRYXGNOPLX-OAQYLSRUSA-N 1 0 451.945 4.724 20 0 JJADRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(COC(C)C)c2)C1 ZINC001459525721 1067344503 /nfs/dbraw/zinc/34/45/03/1067344503.db2.gz JCCWFLPTGLGGKN-NRFANRHFSA-N 1 0 459.030 4.845 20 0 JJADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001459528944 1067345324 /nfs/dbraw/zinc/34/53/24/1067345324.db2.gz ZOEOIEQNXBPFJU-PMACEKPBSA-N 1 0 454.640 4.525 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN1CC[C@H](C[NH+](CC)CC)C1 ZINC001459568271 1067353949 /nfs/dbraw/zinc/35/39/49/1067353949.db2.gz FRPVMNBPRSMIOS-LJQANCHMSA-N 1 0 457.640 4.502 20 0 JJADRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC001459567340 1067354148 /nfs/dbraw/zinc/35/41/48/1067354148.db2.gz VBIIOGMAPHRXKL-VCOUNFBDSA-N 1 0 459.512 4.869 20 0 JJADRO CCC1(CC)CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546110472 1067362434 /nfs/dbraw/zinc/36/24/34/1067362434.db2.gz AMEYSTUMXRHGDH-ZRZAMGCNSA-N 1 0 467.702 4.968 20 0 JJADRO O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F ZINC001459611797 1067363578 /nfs/dbraw/zinc/36/35/78/1067363578.db2.gz YHYUYFBBTVGMRJ-IEBWSBKVSA-N 1 0 458.521 4.891 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)C[C@@H]1C ZINC001459613030 1067364141 /nfs/dbraw/zinc/36/41/41/1067364141.db2.gz JJBCXRGUPHPFFY-LADGPHEKSA-N 1 0 459.638 4.899 20 0 JJADRO CCc1ccc(-c2cc(NC(=O)CN(C)[C@H]3CC[N@@H+](CC)[C@@H](C)C3)n(-c3ccccc3)n2)cc1 ZINC001459612444 1067364320 /nfs/dbraw/zinc/36/43/20/1067364320.db2.gz FOSLFPJFTDHEMJ-OFVILXPXSA-N 1 0 459.638 4.845 20 0 JJADRO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)cc1 ZINC001459628478 1067368607 /nfs/dbraw/zinc/36/86/07/1067368607.db2.gz GSWQTQJRMARAIA-IFMALSPDSA-N 1 0 457.574 4.839 20 0 JJADRO O=C(NCCN1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1F ZINC001459630354 1067368748 /nfs/dbraw/zinc/36/87/48/1067368748.db2.gz YASICJZHPUFPPE-UHFFFAOYSA-N 1 0 452.401 4.503 20 0 JJADRO CN(C[C@H]1CCC[N@@H+]1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C ZINC001459634007 1067369258 /nfs/dbraw/zinc/36/92/58/1067369258.db2.gz DZDQYUOEARPEKU-OAQYLSRUSA-N 1 0 459.631 4.811 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546110806 1067373927 /nfs/dbraw/zinc/37/39/27/1067373927.db2.gz OAJHOKSJTURSOO-WOJBJXKFSA-N 1 0 459.704 4.835 20 0 JJADRO COc1ccc2c(c1)C[N@@H+](CC(=O)NCCCOc1ccccc1F)[C@@H](C1CCCCC1)C2 ZINC001459664186 1067375623 /nfs/dbraw/zinc/37/56/23/1067375623.db2.gz LBNPFONKJSTRCC-RUZDIDTESA-N 1 0 454.586 4.727 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001459667367 1067376788 /nfs/dbraw/zinc/37/67/88/1067376788.db2.gz INDNSEZJWFFBSA-PXNSSMCTSA-N 1 0 457.640 4.501 20 0 JJADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666067 1067376853 /nfs/dbraw/zinc/37/68/53/1067376853.db2.gz YJMWYATULWASHF-IEBWSBKVSA-N 1 0 459.999 4.731 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001546110967 1067378167 /nfs/dbraw/zinc/37/81/67/1067378167.db2.gz UHRYKJLBJQDVQU-JOCHJYFZSA-N 1 0 452.672 4.953 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)[C@H](C)C1 ZINC001459671949 1067379520 /nfs/dbraw/zinc/37/95/20/1067379520.db2.gz WTZCSELQTGIOOS-GJZUVCINSA-N 1 0 459.638 4.757 20 0 JJADRO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001459675958 1067380794 /nfs/dbraw/zinc/38/07/94/1067380794.db2.gz FRYZFMPNVZDIJJ-VQTJNVASSA-N 1 0 450.627 4.502 20 0 JJADRO Cc1ccc(CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c2ccc(F)cc2)o1 ZINC001459684456 1067382453 /nfs/dbraw/zinc/38/24/53/1067382453.db2.gz HPSJTQCRGZZMQB-UHFFFAOYSA-N 1 0 453.583 4.921 20 0 JJADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001459706648 1067389256 /nfs/dbraw/zinc/38/92/56/1067389256.db2.gz MGGOWIBVXNEBFN-RUZDIDTESA-N 1 0 454.977 4.674 20 0 JJADRO Cc1nc(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001459706466 1067389335 /nfs/dbraw/zinc/38/93/35/1067389335.db2.gz KLIGJBRYAGJRIW-QHCPKHFHSA-N 1 0 458.393 4.525 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706989 1067389797 /nfs/dbraw/zinc/38/97/97/1067389797.db2.gz HHLXEWQSFHTJOW-UUOWRZLLSA-N 1 0 452.549 4.592 20 0 JJADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC001459708185 1067390473 /nfs/dbraw/zinc/39/04/73/1067390473.db2.gz PHCXMIJNGWKXNG-KRWDZBQOSA-N 1 0 458.528 4.588 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001459710098 1067391263 /nfs/dbraw/zinc/39/12/63/1067391263.db2.gz XYJNJZCWYGUURN-QSEAXJEQSA-N 1 0 457.659 4.879 20 0 JJADRO CCC(CC)(CC(=O)OC)[NH2+]CCCOc1c(Br)cccc1Br ZINC001459714979 1067393386 /nfs/dbraw/zinc/39/33/86/1067393386.db2.gz CUCHWKNWRPQBGT-UHFFFAOYSA-N 1 0 451.199 4.692 20 0 JJADRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC001459717764 1067394754 /nfs/dbraw/zinc/39/47/54/1067394754.db2.gz PXKUGRJKTXZHFY-XUZZJYLKSA-N 1 0 452.620 4.939 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001459723994 1067396375 /nfs/dbraw/zinc/39/63/75/1067396375.db2.gz XRWQLENIPFSFKB-OBWXTZQISA-N 1 0 453.574 4.547 20 0 JJADRO CCC(CC)([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)c(Cl)c1 ZINC001459737376 1067400038 /nfs/dbraw/zinc/40/00/38/1067400038.db2.gz YZDXUMSEFOPBKD-QGZVFWFLSA-N 1 0 451.394 4.923 20 0 JJADRO CCC(CC)([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)c(Cl)c1 ZINC001459737373 1067400094 /nfs/dbraw/zinc/40/00/94/1067400094.db2.gz YZDXUMSEFOPBKD-KRWDZBQOSA-N 1 0 451.394 4.923 20 0 JJADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)n1 ZINC001459744962 1067403473 /nfs/dbraw/zinc/40/34/73/1067403473.db2.gz YJIPXLKALSIBOB-NGQZJGFESA-N 1 0 456.631 4.609 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCN(c2cccc(F)c2F)CC1)c1cccc(C(F)(F)F)c1 ZINC001459759313 1067410818 /nfs/dbraw/zinc/41/08/18/1067410818.db2.gz FAHSJEVWCRPCIR-OAQYLSRUSA-N 1 0 455.471 4.715 20 0 JJADRO Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC001459762315 1067412519 /nfs/dbraw/zinc/41/25/19/1067412519.db2.gz IEJJBUTUONQTAJ-UKILVPOCSA-N 1 0 459.508 4.989 20 0 JJADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2[C@H](c2ccc(F)cc2)c2ccc(Br)cc2)cn1 ZINC001459766908 1067414412 /nfs/dbraw/zinc/41/44/12/1067414412.db2.gz BTWFEDQRGLOOSS-ZRBLBEILSA-N 1 0 458.375 4.999 20 0 JJADRO CCCCc1ccc([C@H]([NH2+]CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C(C)C)cc1 ZINC001459783658 1067420547 /nfs/dbraw/zinc/42/05/47/1067420547.db2.gz FALKWBSLEGBOTM-AJTFRIOCSA-N 1 0 455.687 4.813 20 0 JJADRO O=C(C[N@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC001459798990 1067428589 /nfs/dbraw/zinc/42/85/89/1067428589.db2.gz WSUOTBVWMGMDCG-VWLOTQADSA-N 1 0 454.492 4.980 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@@H]21 ZINC001459805610 1067431277 /nfs/dbraw/zinc/43/12/77/1067431277.db2.gz OADSDJOCUTYCFX-JCGIZDLHSA-N 1 0 455.571 4.565 20 0 JJADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459810996 1067433335 /nfs/dbraw/zinc/43/33/35/1067433335.db2.gz UFHFXAJYACARCO-OFNKIYASSA-N 1 0 454.014 4.759 20 0 JJADRO CCC[C@@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459812185 1067433987 /nfs/dbraw/zinc/43/39/87/1067433987.db2.gz CIFYAVPNKFMTTF-FYYLOGMGSA-N 1 0 456.428 4.689 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001459813983 1067435024 /nfs/dbraw/zinc/43/50/24/1067435024.db2.gz MXKMKIXPUCPNMM-JUXOCIIHSA-N 1 0 451.602 4.973 20 0 JJADRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC001459816586 1067435912 /nfs/dbraw/zinc/43/59/12/1067435912.db2.gz HOWZQOMBCKWLOY-FQEVSTJZSA-N 1 0 454.430 4.999 20 0 JJADRO CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001546112063 1067435990 /nfs/dbraw/zinc/43/59/90/1067435990.db2.gz BJNLEBYQCWEQJS-JOCHJYFZSA-N 1 0 494.709 4.897 20 0 JJADRO COC(=O)c1c(NC(=O)C[NH2+][C@H](CC(C)C)c2ccccc2OC)sc2c1CC[C@@H](C)C2 ZINC001459819907 1067438374 /nfs/dbraw/zinc/43/83/74/1067438374.db2.gz XEWXWLXPVSTKQC-VQIMIIECSA-N 1 0 458.624 4.984 20 0 JJADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CC(=O)NC[C@H]3CCN(c4ccccc4)C3)cc2)c1 ZINC001459823872 1067440243 /nfs/dbraw/zinc/44/02/43/1067440243.db2.gz FOYWYMWQJAIPEW-UKILVPOCSA-N 1 0 457.618 4.867 20 0 JJADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC001459828899 1067442204 /nfs/dbraw/zinc/44/22/04/1067442204.db2.gz SMBABAKIDIUYEB-MRXNPFEDSA-N 1 0 458.400 4.654 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)c(OC)c1 ZINC001459836721 1067446941 /nfs/dbraw/zinc/44/69/41/1067446941.db2.gz OXXLKGQQSNUOHT-XUZZJYLKSA-N 1 0 458.574 4.590 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH2+][C@H](COc3ccccc3F)C(C)(C)C)C2)C1 ZINC001459842170 1067449043 /nfs/dbraw/zinc/44/90/43/1067449043.db2.gz ZBLSNKKITKOEAL-NXQMDHLFSA-N 1 0 450.595 4.625 20 0 JJADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)n[nH]1 ZINC001459843625 1067450110 /nfs/dbraw/zinc/45/01/10/1067450110.db2.gz MDTNQWCNNUWJPG-QHCPKHFHSA-N 1 0 459.525 4.576 20 0 JJADRO C[C@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)c1cc2c(cc1Br)OCCO2 ZINC001459844295 1067450611 /nfs/dbraw/zinc/45/06/11/1067450611.db2.gz OOCYZLMUOSGXKT-HNNXBMFYSA-N 1 0 457.409 4.956 20 0 JJADRO O=C(CC[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC001459845862 1067451479 /nfs/dbraw/zinc/45/14/79/1067451479.db2.gz CRXBOHJGCISOHV-LJQANCHMSA-N 1 0 453.892 4.641 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)c(OC)c1 ZINC001459846332 1067452079 /nfs/dbraw/zinc/45/20/79/1067452079.db2.gz GTFGDNRULJZYNU-XMSQKQJNSA-N 1 0 456.583 4.514 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001546112242 1067452566 /nfs/dbraw/zinc/45/25/66/1067452566.db2.gz JUDCBTGAUARRBW-OAQYLSRUSA-N 1 0 455.647 4.614 20 0 JJADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)cc1F ZINC001459848891 1067454068 /nfs/dbraw/zinc/45/40/68/1067454068.db2.gz VHMHEUIATYKYNX-MOPGFXCFSA-N 1 0 451.542 4.506 20 0 JJADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccccc1OC(F)F ZINC001459849231 1067454636 /nfs/dbraw/zinc/45/46/36/1067454636.db2.gz AZWWOYPBIQXKTE-MRXNPFEDSA-N 1 0 459.415 4.945 20 0 JJADRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)cc1OC ZINC001459849279 1067454656 /nfs/dbraw/zinc/45/46/56/1067454656.db2.gz BNGBMBVLNRZSMU-IQOKHDRSSA-N 1 0 456.583 4.992 20 0 JJADRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001459849755 1067455150 /nfs/dbraw/zinc/45/51/50/1067455150.db2.gz YLWYEZBXMXFSOX-LJQANCHMSA-N 1 0 454.567 4.522 20 0 JJADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3cccc(-c4csc(C)n4)c3)ccc2NC1=O ZINC001459851779 1067456751 /nfs/dbraw/zinc/45/67/51/1067456751.db2.gz NKHIETCKFWUDAN-QKKBWIMNSA-N 1 0 450.564 4.517 20 0 JJADRO COc1cc([C@H](C)[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)ccc1OC(C)C ZINC001459853555 1067458202 /nfs/dbraw/zinc/45/82/02/1067458202.db2.gz PFBWPCOSXMXHSA-WPSZSDGUSA-N 1 0 456.583 4.990 20 0 JJADRO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001459859463 1067460867 /nfs/dbraw/zinc/46/08/67/1067460867.db2.gz HXKUYSUORHKYJG-MRXNPFEDSA-N 1 0 451.592 4.868 20 0 JJADRO C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC001459866765 1067464122 /nfs/dbraw/zinc/46/41/22/1067464122.db2.gz VKBUBRGEZILHSX-XIKOKIGWSA-N 1 0 457.290 4.994 20 0 JJADRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001459869424 1067466204 /nfs/dbraw/zinc/46/62/04/1067466204.db2.gz UARKWELHJYCQFH-HZPDHXFCSA-N 1 0 452.555 4.754 20 0 JJADRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1 ZINC001459870233 1067466857 /nfs/dbraw/zinc/46/68/57/1067466857.db2.gz YIZSMTMPPDXSKA-FQEVSTJZSA-N 1 0 458.331 4.504 20 0 JJADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)cc1OC ZINC001459885484 1067473168 /nfs/dbraw/zinc/47/31/68/1067473168.db2.gz NLCOHWKEOHXDFT-NTKDMRAZSA-N 1 0 450.554 4.902 20 0 JJADRO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894744 1067477175 /nfs/dbraw/zinc/47/71/75/1067477175.db2.gz XNNWKSGDEWZEFZ-DBYOASNMSA-N 1 0 457.659 4.756 20 0 JJADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CC(=O)N(C)c1nccs1 ZINC001459899561 1067479308 /nfs/dbraw/zinc/47/93/08/1067479308.db2.gz ULSLGHODSLWCGR-LLVKDONJSA-N 1 0 451.415 4.651 20 0 JJADRO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[NH2+][C@H](C)c1ccc(C)s1 ZINC001459905126 1067482528 /nfs/dbraw/zinc/48/25/28/1067482528.db2.gz JLSWFZQCADGMOV-MRXNPFEDSA-N 1 0 453.564 4.615 20 0 JJADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1cccc2ccccc21 ZINC001459910007 1067485093 /nfs/dbraw/zinc/48/50/93/1067485093.db2.gz UCPPYOMDCJUSTD-OSOCVKALSA-N 1 0 451.611 4.738 20 0 JJADRO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459911588 1067486810 /nfs/dbraw/zinc/48/68/10/1067486810.db2.gz XKQZYTHOTOGZAF-UNMCSNQZSA-N 1 0 457.546 4.803 20 0 JJADRO C[C@@H]([NH2+]CC[C@H]1Sc2ccccc2NC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC001459913308 1067487929 /nfs/dbraw/zinc/48/79/29/1067487929.db2.gz VLGCPIDLQLPVFY-SJKOYZFVSA-N 1 0 459.369 4.653 20 0 JJADRO COc1ccc(NC(=O)c2c(NC(=O)C[NH2+][C@H]3CCCC[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459916013 1067488829 /nfs/dbraw/zinc/48/88/29/1067488829.db2.gz UTPPXZBTYIFVEG-JXFKEZNVSA-N 1 0 455.624 4.995 20 0 JJADRO COc1ccc(NC(=O)c2c(NC(=O)C[NH2+][C@H]3CCCC[C@H]3C)sc3c2CCCC3)cc1 ZINC001459916016 1067488887 /nfs/dbraw/zinc/48/88/87/1067488887.db2.gz UTPPXZBTYIFVEG-UZLBHIALSA-N 1 0 455.624 4.995 20 0 JJADRO CC[C@H]1CN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001459916552 1067489404 /nfs/dbraw/zinc/48/94/04/1067489404.db2.gz MWSFDZGMZMPVNP-LMSSTIIKSA-N 1 0 459.609 4.970 20 0 JJADRO CC[C@@H]1CN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459918245 1067490367 /nfs/dbraw/zinc/49/03/67/1067490367.db2.gz XJLAEZCFRCIOFO-RPWUZVMVSA-N 1 0 459.556 4.793 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC001459919560 1067490821 /nfs/dbraw/zinc/49/08/21/1067490821.db2.gz AWXWTRARAPIZMV-IAGOWNOFSA-N 1 0 453.421 4.795 20 0 JJADRO Cc1cc(Br)c(NC(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)c(Br)c1 ZINC001459921521 1067492272 /nfs/dbraw/zinc/49/22/72/1067492272.db2.gz IZFPJFVKBZIWBJ-UHFFFAOYSA-N 1 0 455.194 4.687 20 0 JJADRO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC001459926990 1067494859 /nfs/dbraw/zinc/49/48/59/1067494859.db2.gz WUJRRVJMGPVCAQ-AEFFLSMTSA-N 1 0 450.988 4.731 20 0 JJADRO O=C(CC[NH2+][C@H](CO)c1cccc(Br)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC001459928321 1067495314 /nfs/dbraw/zinc/49/53/14/1067495314.db2.gz BNIMTPGPOJQFCD-JOCHJYFZSA-N 1 0 455.352 4.893 20 0 JJADRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001459936597 1067499056 /nfs/dbraw/zinc/49/90/56/1067499056.db2.gz QIKPONYDNOIOGF-INIZCTEOSA-N 1 0 456.468 4.950 20 0 JJADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC001459948722 1067503525 /nfs/dbraw/zinc/50/35/25/1067503525.db2.gz DXHHDSYKXCUUPF-BXUZGUMPSA-N 1 0 456.178 4.657 20 0 JJADRO COc1ccc(N=c2scc(CN3CCC[C@@H]([NH+](C)C)CC3)n2Cc2ccccc2)cc1 ZINC001459948637 1067503579 /nfs/dbraw/zinc/50/35/79/1067503579.db2.gz CIARSLLJPOCGMH-HSZRJFAPSA-N 1 0 450.652 4.755 20 0 JJADRO CC(C)[C@@H](CNC(=O)C[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 ZINC001459951495 1067504484 /nfs/dbraw/zinc/50/44/84/1067504484.db2.gz CAZRDQUOFZIJOV-HSZRJFAPSA-N 1 0 457.659 4.656 20 0 JJADRO CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955776 1067506443 /nfs/dbraw/zinc/50/64/43/1067506443.db2.gz VGMBASDGXRCQEL-HOCLYGCPSA-N 1 0 452.617 4.638 20 0 JJADRO C[NH+]1CCC(Oc2ccc(CNC(=O)CCCc3ccc(Br)s3)cc2)CC1 ZINC001459956179 1067506522 /nfs/dbraw/zinc/50/65/22/1067506522.db2.gz AFNYUGFRJXQXFP-UHFFFAOYSA-N 1 0 451.430 4.623 20 0 JJADRO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc1 ZINC001459957993 1067507108 /nfs/dbraw/zinc/50/71/08/1067507108.db2.gz KBALPFXBUPGNSA-HXUWFJFHSA-N 1 0 450.604 4.603 20 0 JJADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC001459958970 1067507625 /nfs/dbraw/zinc/50/76/25/1067507625.db2.gz IVUZELQOOJBBOA-UHFFFAOYSA-N 1 0 458.002 4.728 20 0 JJADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC001459978925 1067514029 /nfs/dbraw/zinc/51/40/29/1067514029.db2.gz GTDCTPUNJZFZMN-HXUWFJFHSA-N 1 0 459.432 4.726 20 0 JJADRO O[C@@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cc(Br)no1 ZINC001459986333 1067515928 /nfs/dbraw/zinc/51/59/28/1067515928.db2.gz GEFMBXOCCPKWSF-MNOVXSKESA-N 1 0 458.072 4.516 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1 ZINC001459991897 1067518554 /nfs/dbraw/zinc/51/85/54/1067518554.db2.gz HZYCJUDSPAEZSV-YADARESESA-N 1 0 458.562 4.754 20 0 JJADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)CC1 ZINC001459996559 1067519891 /nfs/dbraw/zinc/51/98/91/1067519891.db2.gz LVVMZVQOELBCEW-GOSISDBHSA-N 1 0 458.628 4.520 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC001459996460 1067519907 /nfs/dbraw/zinc/51/99/07/1067519907.db2.gz RRDCTSVZWQEJQD-GGAORHGYSA-N 1 0 457.659 4.678 20 0 JJADRO C[C@H]([NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC001459999658 1067521617 /nfs/dbraw/zinc/52/16/17/1067521617.db2.gz SQENNBWDQPEOEN-RCDICMHDSA-N 1 0 458.375 4.858 20 0 JJADRO CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C(C)(C)C1(C)C ZINC001546113177 1067522063 /nfs/dbraw/zinc/52/20/63/1067522063.db2.gz RHTMCHZALKUYEF-BHIFYINESA-N 1 0 454.655 4.797 20 0 JJADRO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(C)(C)C)cc1 ZINC001460002842 1067522278 /nfs/dbraw/zinc/52/22/78/1067522278.db2.gz FAXCMDQYTMOQHM-JPYJTQIMSA-N 1 0 459.656 4.548 20 0 JJADRO CCOc1ccccc1CN1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001460004038 1067523114 /nfs/dbraw/zinc/52/31/14/1067523114.db2.gz JQYSXKBEQQOBDJ-VABKMULXSA-N 1 0 459.675 4.923 20 0 JJADRO CC(C)c1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC001460014508 1067527925 /nfs/dbraw/zinc/52/79/25/1067527925.db2.gz FZSVYSWASCKDED-NRFANRHFSA-N 1 0 457.659 4.928 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CCCC1 ZINC001460022848 1067531940 /nfs/dbraw/zinc/53/19/40/1067531940.db2.gz BMGXZESPYOGPSZ-HSZRJFAPSA-N 1 0 458.647 4.679 20 0 JJADRO O=C(C[N@H+]1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1)NCCCN1CCCCCC1=O ZINC001460052142 1067539635 /nfs/dbraw/zinc/53/96/35/1067539635.db2.gz KQDRNBFQXAFIJA-OAQYLSRUSA-N 1 0 453.549 4.531 20 0 JJADRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460073781 1067546929 /nfs/dbraw/zinc/54/69/29/1067546929.db2.gz SYALRJSEMJCGLF-FHJLPGHOSA-N 1 0 456.549 4.984 20 0 JJADRO CC1CCN(C(=O)OC[C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC001460076145 1067547675 /nfs/dbraw/zinc/54/76/75/1067547675.db2.gz SDORRIUSBWVRKU-GOSISDBHSA-N 1 0 455.521 4.757 20 0 JJADRO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460078546 1067548489 /nfs/dbraw/zinc/54/84/89/1067548489.db2.gz ZBMGQCQOBVEZGR-JOCHJYFZSA-N 1 0 453.627 4.754 20 0 JJADRO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460078547 1067548546 /nfs/dbraw/zinc/54/85/46/1067548546.db2.gz ZBMGQCQOBVEZGR-QFIPXVFZSA-N 1 0 453.627 4.754 20 0 JJADRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(I)c(Cl)c1 ZINC001460090053 1067551864 /nfs/dbraw/zinc/55/18/64/1067551864.db2.gz ODPKMHDIQNYFMW-UHFFFAOYSA-N 1 0 453.711 4.669 20 0 JJADRO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC001460090533 1067552152 /nfs/dbraw/zinc/55/21/52/1067552152.db2.gz UAZVPLNGCPFIOV-UHFFFAOYSA-N 1 0 454.436 4.607 20 0 JJADRO CCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@@H](C)[C@@H](Cc3ccccc3)C(=O)OC)ccc21 ZINC001460093400 1067552737 /nfs/dbraw/zinc/55/27/37/1067552737.db2.gz KLJZXSDMTLSDQR-WMZHIEFXSA-N 1 0 457.574 4.763 20 0 JJADRO CC[C@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC001460094335 1067553004 /nfs/dbraw/zinc/55/30/04/1067553004.db2.gz QMHIIOOPIPGDPX-KKSFZXQISA-N 1 0 452.437 4.656 20 0 JJADRO CCOc1cccc(/C=C/C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)c1 ZINC001460096398 1067553913 /nfs/dbraw/zinc/55/39/13/1067553913.db2.gz RJZGCVLLGOCEEI-YRYLYKBFSA-N 1 0 458.400 4.640 20 0 JJADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC001460103091 1067555628 /nfs/dbraw/zinc/55/56/28/1067555628.db2.gz BZXCCFFFXPKXRQ-QHCPKHFHSA-N 1 0 455.643 4.540 20 0 JJADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC001460105624 1067556153 /nfs/dbraw/zinc/55/61/53/1067556153.db2.gz LMZVWLIXBWTMNA-QAPCUYQASA-N 1 0 478.998 4.505 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(CC(=O)NCc2ccc(COc3ccccc3)cc2)CC1 ZINC001460105009 1067556265 /nfs/dbraw/zinc/55/62/65/1067556265.db2.gz KSUJQGXRPXXBCX-UHFFFAOYSA-N 1 0 451.655 4.714 20 0 JJADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110537 1067556964 /nfs/dbraw/zinc/55/69/64/1067556964.db2.gz PLWRPNAPQJRLTD-GBESFXJTSA-N 1 0 450.023 4.944 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110522 1067557090 /nfs/dbraw/zinc/55/70/90/1067557090.db2.gz PKKGVOUUVRHCSJ-SJORKVTESA-N 1 0 455.521 4.613 20 0 JJADRO CCc1cc2c(C[N@@H+]3CCC[C@@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460113814 1067558032 /nfs/dbraw/zinc/55/80/32/1067558032.db2.gz YXNNLOKBAJUCLC-MOPGFXCFSA-N 1 0 456.583 4.530 20 0 JJADRO COc1cc(NC(=O)CC[N@H+](C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)cc1Cl ZINC001460127316 1067560499 /nfs/dbraw/zinc/56/04/99/1067560499.db2.gz QVZXYPDTJIEONO-GFCCVEGCSA-N 1 0 451.354 4.909 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC001460126535 1067560603 /nfs/dbraw/zinc/56/06/03/1067560603.db2.gz VDAAZYJTRBRDET-SJORKVTESA-N 1 0 450.988 4.587 20 0 JJADRO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001460172942 1067570094 /nfs/dbraw/zinc/57/00/94/1067570094.db2.gz UMZAZPMNWSNNBZ-MHZLTWQESA-N 1 0 456.074 4.905 20 0 JJADRO Cc1nc(NC(=O)C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)sc1Cc1ccc(C)cc1 ZINC001460173903 1067570623 /nfs/dbraw/zinc/57/06/23/1067570623.db2.gz USYAOYGAWDTPJI-UXHICEINSA-N 1 0 451.636 4.776 20 0 JJADRO COC(=O)c1cccc(C[NH+]2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1Cl ZINC001460180471 1067572285 /nfs/dbraw/zinc/57/22/85/1067572285.db2.gz OAPDHUYIVJYHKF-FCHUYYIVSA-N 1 0 456.970 4.654 20 0 JJADRO CCCN(CC[NH+]1CCCCCC1)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC001460181125 1067572639 /nfs/dbraw/zinc/57/26/39/1067572639.db2.gz RDDUICHYYMNKIH-QFIPXVFZSA-N 1 0 450.465 4.841 20 0 JJADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@H]3CCN(C)[C@H]3c3ccc(F)cc3)n2)cc1C ZINC001460191805 1067575579 /nfs/dbraw/zinc/57/55/79/1067575579.db2.gz HCINIALVFCNWCH-URXFXBBRSA-N 1 0 452.599 4.848 20 0 JJADRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460192933 1067576162 /nfs/dbraw/zinc/57/61/62/1067576162.db2.gz AXKVHWRMFBXXDH-ZRBLBEILSA-N 1 0 458.643 4.971 20 0 JJADRO CC(C)[C@@H](CNC(=O)C[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001460196252 1067576581 /nfs/dbraw/zinc/57/65/81/1067576581.db2.gz KGBLTTQSLJVIOF-DNQXCXABSA-N 1 0 457.659 4.511 20 0 JJADRO Cc1ccc(F)cc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460208197 1067579535 /nfs/dbraw/zinc/57/95/35/1067579535.db2.gz OMYYROIIAKDWHM-JTHBVZDNSA-N 1 0 473.564 4.985 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)C3(c4ccc(F)cc4)CCCCC3)CC2)cc1 ZINC001460210379 1067580080 /nfs/dbraw/zinc/58/00/80/1067580080.db2.gz BAPUHUSFAQNZJK-UHFFFAOYSA-N 1 0 451.586 4.767 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3sc(-c4cccs4)nc3C)CC2)cc1 ZINC001460210945 1067580346 /nfs/dbraw/zinc/58/03/46/1067580346.db2.gz FMUIRYACNAFMAF-UHFFFAOYSA-N 1 0 454.621 4.533 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)C3(Cc4cccs4)CCCCC3)CC2)cc1 ZINC001460211698 1067580374 /nfs/dbraw/zinc/58/03/74/1067580374.db2.gz FRYIIAZSIVKZOK-UHFFFAOYSA-N 1 0 453.652 4.980 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3CCc3ccccc3)CC2)cc1 ZINC001460212244 1067580777 /nfs/dbraw/zinc/58/07/77/1067580777.db2.gz HPCNBWHVIHEQGX-UHFFFAOYSA-N 1 0 455.602 4.825 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001460215876 1067581324 /nfs/dbraw/zinc/58/13/24/1067581324.db2.gz RKOGKNGTNCMZNI-OXQOHEQNSA-N 1 0 453.986 4.919 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2CCC(=O)N2CCCc3ccccc32)C1 ZINC001460215902 1067581411 /nfs/dbraw/zinc/58/14/11/1067581411.db2.gz RRBBFYSWWNKIAT-GOTSBHOMSA-N 1 0 455.643 4.858 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2CCC(=O)N2CCCc3ccccc32)C1 ZINC001460215914 1067581465 /nfs/dbraw/zinc/58/14/65/1067581465.db2.gz RRBBFYSWWNKIAT-XZOQPEGZSA-N 1 0 455.643 4.858 20 0 JJADRO O=C(C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1)Nc1ccc(Br)cc1Cl ZINC001460218047 1067582459 /nfs/dbraw/zinc/58/24/59/1067582459.db2.gz WLYJYRPKEOKAHM-HXUWFJFHSA-N 1 0 451.792 4.925 20 0 JJADRO O=C(CC[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1)Nc1ccccc1Br ZINC001460223274 1067583397 /nfs/dbraw/zinc/58/33/97/1067583397.db2.gz HRYVOHUZDBWODR-NRFANRHFSA-N 1 0 453.327 4.502 20 0 JJADRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001460230678 1067584992 /nfs/dbraw/zinc/58/49/92/1067584992.db2.gz XETPESCFGBJHLA-BQLVWXCYSA-N 1 0 458.668 4.559 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)c(OC)c1 ZINC001460233188 1067586252 /nfs/dbraw/zinc/58/62/52/1067586252.db2.gz FTYWGAPBDFIGGE-DEOSSOPVSA-N 1 0 458.549 4.600 20 0 JJADRO C[C@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001460237005 1067587463 /nfs/dbraw/zinc/58/74/63/1067587463.db2.gz SUNVSPSFPUDECK-ZOCIIQOWSA-N 1 0 459.434 4.652 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)C1 ZINC001460238953 1067588203 /nfs/dbraw/zinc/58/82/03/1067588203.db2.gz JNSLCIYSSVKORY-NZQKXSOJSA-N 1 0 459.562 4.765 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C1 ZINC001460238927 1067588298 /nfs/dbraw/zinc/58/82/98/1067588298.db2.gz JHOYJSMHRYIUBV-UNMCSNQZSA-N 1 0 453.023 4.893 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC001460238803 1067588320 /nfs/dbraw/zinc/58/83/20/1067588320.db2.gz DUNJYGIZTSQTCH-UWJYYQICSA-N 1 0 456.986 4.642 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CCC1 ZINC001460256268 1067592238 /nfs/dbraw/zinc/59/22/38/1067592238.db2.gz OBWFLKASSIGISM-JOCHJYFZSA-N 1 0 455.643 4.585 20 0 JJADRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269809 1067594354 /nfs/dbraw/zinc/59/43/54/1067594354.db2.gz HBQPFRUQHKDEFF-FKCCAMBISA-N 1 0 457.659 4.905 20 0 JJADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@@H+](Cc3ccc(C)cc3C)CC(C)C)nc2c1 ZINC001460278141 1067596130 /nfs/dbraw/zinc/59/61/30/1067596130.db2.gz MOZIOHZAAYJAON-UHFFFAOYSA-N 1 0 456.656 4.868 20 0 JJADRO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001460278118 1067596171 /nfs/dbraw/zinc/59/61/71/1067596171.db2.gz DTYOVSHMUJBPBM-VDKIKQQVSA-N 1 0 469.601 4.799 20 0 JJADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001460279494 1067597004 /nfs/dbraw/zinc/59/70/04/1067597004.db2.gz OAOXIGDIHZOIQL-CEQIKUNHSA-N 1 0 451.920 4.892 20 0 JJADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](Cc1ccc(C)cc1C)CC(C)C ZINC001460280413 1067597080 /nfs/dbraw/zinc/59/70/80/1067597080.db2.gz YPEHDIUEOHRZDU-UHFFFAOYSA-N 1 0 456.656 4.582 20 0 JJADRO COC(=O)[C@@H]1CN([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279897 1067597174 /nfs/dbraw/zinc/59/71/74/1067597174.db2.gz VGNZVJMPVVLYND-HPCCJCSGSA-N 1 0 466.528 4.572 20 0 JJADRO COc1ccccc1C1([NH2+]CC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC001460283211 1067597824 /nfs/dbraw/zinc/59/78/24/1067597824.db2.gz OBFNGCHTEILBBK-DEOSSOPVSA-N 1 0 450.604 4.692 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCC[C@H](C)C2)CCS1 ZINC001546115262 1067598619 /nfs/dbraw/zinc/59/86/19/1067598619.db2.gz YGRZVYGZUKBYEA-KRWDZBQOSA-N 1 0 495.535 4.880 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[N@@H+]3CCC[C@H](O)[C@@H]3CCc3ccccc3)cccc2C1 ZINC001460295332 1067600807 /nfs/dbraw/zinc/60/08/07/1067600807.db2.gz KNFXNIHHKJOEBJ-UIOOFZCWSA-N 1 0 450.623 4.938 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@H]1c1ccccc1 ZINC001460300669 1067601732 /nfs/dbraw/zinc/60/17/32/1067601732.db2.gz HJXCNSFXXYKFAM-BJKOFHAPSA-N 1 0 461.610 4.568 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccn2)C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001460305121 1067603235 /nfs/dbraw/zinc/60/32/35/1067603235.db2.gz NJGXNUUYBBOVFO-UXHICEINSA-N 1 0 457.537 4.783 20 0 JJADRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1C ZINC001460308083 1067604218 /nfs/dbraw/zinc/60/42/18/1067604218.db2.gz MQCQTKHJUDWUEI-XQBPLPMBSA-N 1 0 455.599 4.723 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317543 1067606409 /nfs/dbraw/zinc/60/64/09/1067606409.db2.gz LQGMPGSYHFWYAO-MAODMQOUSA-N 1 0 456.986 4.785 20 0 JJADRO Cc1ccc(Br)nc1C(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001460325331 1067608560 /nfs/dbraw/zinc/60/85/60/1067608560.db2.gz MUORHXYJAAQOIN-NRFANRHFSA-N 1 0 458.444 4.958 20 0 JJADRO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H](c2ccccc2C)C2CCC(C)CC2)c1 ZINC001460335293 1067610394 /nfs/dbraw/zinc/61/03/94/1067610394.db2.gz HDTIXSXFGOIQNA-IOAASBHNSA-N 1 0 451.611 4.558 20 0 JJADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460341861 1067612576 /nfs/dbraw/zinc/61/25/76/1067612576.db2.gz IESJFFBPTFYUSZ-NZQKXSOJSA-N 1 0 451.611 4.660 20 0 JJADRO CC[C@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001460346069 1067613343 /nfs/dbraw/zinc/61/33/43/1067613343.db2.gz HYJCFXRKXNEHLC-NVQXNPDNSA-N 1 0 458.606 4.961 20 0 JJADRO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CC(=O)NCCCOC1CCCCC1 ZINC001460367457 1067619490 /nfs/dbraw/zinc/61/94/90/1067619490.db2.gz BELKRTZEWIPPOC-QHCPKHFHSA-N 1 0 456.549 4.838 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+][C@H](C)C(=O)Nc2ccccc2)cc1F ZINC001460393563 1067625347 /nfs/dbraw/zinc/62/53/47/1067625347.db2.gz QWUQVUCRFOLNQJ-AGHHOFFYSA-N 1 0 471.573 4.544 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CC[C@@H](O)c2ccccc2)cc1 ZINC001460393906 1067625702 /nfs/dbraw/zinc/62/57/02/1067625702.db2.gz YDBGZKGTJJPFLG-CCDWMCETSA-N 1 0 454.611 4.892 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cc(F)ccc2F)cc1F ZINC001460393773 1067625731 /nfs/dbraw/zinc/62/57/31/1067625731.db2.gz SMMHZTFKZZPRPZ-RXVVDRJESA-N 1 0 450.501 4.995 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC001460393797 1067625745 /nfs/dbraw/zinc/62/57/45/1067625745.db2.gz XFYVGHBERHUHGE-ZEQRLZLVSA-N 1 0 474.642 4.701 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CC[C@H](O)c2ccccc2)cc1 ZINC001460393911 1067625748 /nfs/dbraw/zinc/62/57/48/1067625748.db2.gz YDBGZKGTJJPFLG-SDHOMARFSA-N 1 0 454.611 4.892 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC001460400742 1067626947 /nfs/dbraw/zinc/62/69/47/1067626947.db2.gz AUSKJCHYTPQDAF-STZQEDGTSA-N 1 0 450.501 4.520 20 0 JJADRO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(=O)Nc1cccc(F)c1 ZINC001460404803 1067627595 /nfs/dbraw/zinc/62/75/95/1067627595.db2.gz GQSLTDOIIIQFNE-KNXBSLHKSA-N 1 0 459.537 4.675 20 0 JJADRO CN(CC1CCCCC1)C(=O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001460407128 1067628765 /nfs/dbraw/zinc/62/87/65/1067628765.db2.gz IRZZUDJFRWQIST-DHIUTWEWSA-N 1 0 461.622 4.547 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C2(c3ccc(Br)cc3)CCCCC2)C1 ZINC001460408655 1067629079 /nfs/dbraw/zinc/62/90/79/1067629079.db2.gz JFMDNXKCOJLYST-LJQANCHMSA-N 1 0 453.421 4.834 20 0 JJADRO C[C@]12CC[N@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C[C@H]1C2(Br)Br ZINC001460413342 1067630820 /nfs/dbraw/zinc/63/08/20/1067630820.db2.gz AMDGBXFPZRBWLR-CJNGLKHVSA-N 1 0 475.612 4.760 20 0 JJADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c(C)c1 ZINC001460423508 1067632243 /nfs/dbraw/zinc/63/22/43/1067632243.db2.gz ORHGEGKGIHIPBW-DEOSSOPVSA-N 1 0 459.428 4.603 20 0 JJADRO O=C(N1CCC[C@H](C2CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)C1)C(F)(F)F ZINC001460449867 1067636637 /nfs/dbraw/zinc/63/66/37/1067636637.db2.gz QKCFLNLUGRUXGS-MAUKXSAKSA-N 1 0 453.332 4.540 20 0 JJADRO O=C(N1CCC[C@@H](C2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C1)C(F)(F)F ZINC001460451661 1067636997 /nfs/dbraw/zinc/63/69/97/1067636997.db2.gz SQJGILCPVSAWCF-QGZVFWFLSA-N 1 0 452.439 4.641 20 0 JJADRO CC(C)(C)[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccc(Br)cc1 ZINC001460479896 1067642342 /nfs/dbraw/zinc/64/23/42/1067642342.db2.gz FGXWDNZEEPVJNW-UHFFFAOYSA-N 1 0 455.343 4.967 20 0 JJADRO CC(C)[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)[C@@H](O)c1ccc(Cl)cc1 ZINC001460525510 1067650169 /nfs/dbraw/zinc/65/01/69/1067650169.db2.gz JUJUPCSDSOVPOI-AABGKKOBSA-N 1 0 451.792 4.704 20 0 JJADRO CCc1ccc([C@H](CNC(=O)c2c(F)ccc(Br)c2OC)[NH+](CC)CC)cc1 ZINC001460551479 1067655144 /nfs/dbraw/zinc/65/51/44/1067655144.db2.gz GXPICRWXKPRLEZ-IBGZPJMESA-N 1 0 451.380 4.972 20 0 JJADRO CCc1ccc([C@H](CNC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)[NH+](CC)CC)cc1 ZINC001460555086 1067655209 /nfs/dbraw/zinc/65/52/09/1067655209.db2.gz MUPXEIXQXHBMDC-QFIPXVFZSA-N 1 0 459.516 4.661 20 0 JJADRO COc1ccc(F)cc1-c1cncc(C[N@@H+]2C[C@@]3(C)CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c1 ZINC001460558914 1067655784 /nfs/dbraw/zinc/65/57/84/1067655784.db2.gz OBJODRVJVQKKNE-WMPKNSHKSA-N 1 0 455.574 4.975 20 0 JJADRO CC(C)N(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1F ZINC001460563055 1067656423 /nfs/dbraw/zinc/65/64/23/1067656423.db2.gz QXDPUOSJJCFPHU-QFIPXVFZSA-N 1 0 454.590 4.815 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](C[C@H]3CCC4(CCCCCC4)O3)CC2)C1 ZINC001460564856 1067657262 /nfs/dbraw/zinc/65/72/62/1067657262.db2.gz IJTCWZCWPRYISF-DHIUTWEWSA-N 1 0 450.664 4.996 20 0 JJADRO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](O)[C@H]3c3ccc(Br)cc3)n2)cc1F ZINC001460578149 1067659561 /nfs/dbraw/zinc/65/95/61/1067659561.db2.gz YKVOGSQEKZCKFG-TZIWHRDSSA-N 1 0 460.347 4.687 20 0 JJADRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)c(C)c1 ZINC001460581838 1067661277 /nfs/dbraw/zinc/66/12/77/1067661277.db2.gz YJKMDLLKJIYQDK-UHFFFAOYSA-N 1 0 454.615 4.562 20 0 JJADRO CN(C)C[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599039 1067666336 /nfs/dbraw/zinc/66/63/36/1067666336.db2.gz WTQULFHYPMIUHB-HNAYVOBHSA-N 1 0 452.209 4.932 20 0 JJADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC001460645045 1067684689 /nfs/dbraw/zinc/68/46/89/1067684689.db2.gz NDVCSMBCQXYURQ-QFIPXVFZSA-N 1 0 451.464 4.839 20 0 JJADRO CCc1c(C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)cnn1-c1ccccc1Cl ZINC001460650879 1067687197 /nfs/dbraw/zinc/68/71/97/1067687197.db2.gz GEWJPBUGPAEEIH-UHFFFAOYSA-N 1 0 453.974 4.621 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)c1 ZINC001460654105 1067688331 /nfs/dbraw/zinc/68/83/31/1067688331.db2.gz MASYCLJLCNNMOM-UHFFFAOYSA-N 1 0 454.571 4.875 20 0 JJADRO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC001460655991 1067689935 /nfs/dbraw/zinc/68/99/35/1067689935.db2.gz VHVCGPNNHGWXFW-LAUBAEHRSA-N 1 0 458.318 4.703 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC001460664408 1067693079 /nfs/dbraw/zinc/69/30/79/1067693079.db2.gz IJVODHIMIXNREA-LPHOPBHVSA-N 1 0 455.521 4.755 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460673082 1067695926 /nfs/dbraw/zinc/69/59/26/1067695926.db2.gz AJPSKHHXTDNRES-VWLOTQADSA-N 1 0 453.668 4.896 20 0 JJADRO CCn1nc(C(F)(F)F)c(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C(F)F ZINC001460680010 1067699111 /nfs/dbraw/zinc/69/91/11/1067699111.db2.gz ITFWYYNVSHPARH-MRXNPFEDSA-N 1 0 458.475 4.892 20 0 JJADRO CO[C@@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001460682609 1067700333 /nfs/dbraw/zinc/70/03/33/1067700333.db2.gz YMPVSUFVGKHTPM-YLJYHZDGSA-N 1 0 451.430 4.617 20 0 JJADRO O=C(C[NH2+][C@@H](Cn1ccnc1)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460689246 1067702328 /nfs/dbraw/zinc/70/23/28/1067702328.db2.gz HJTVBRWWYKBAKS-SFHVURJKSA-N 1 0 456.390 4.890 20 0 JJADRO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H]2CCC[C@]23CCCO3)sc(Cl)c1-c1ccccc1 ZINC001460690628 1067702425 /nfs/dbraw/zinc/70/24/25/1067702425.db2.gz HLAWELIOGPDIFP-MWTRTKDXSA-N 1 0 462.999 4.875 20 0 JJADRO COc1ccccc1C[C@@](C)(CO)[NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001460696434 1067703858 /nfs/dbraw/zinc/70/38/58/1067703858.db2.gz MRAVDPXLWYJEBP-VWLOTQADSA-N 1 0 454.954 4.663 20 0 JJADRO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]C(C)(C)c1ccc(C(F)(F)F)cc1)CCC2 ZINC001460700299 1067704307 /nfs/dbraw/zinc/70/43/07/1067704307.db2.gz NVUJACFJRNWWIA-UHFFFAOYSA-N 1 0 454.514 4.896 20 0 JJADRO C[C@H](CCc1cccc(F)c1)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460703604 1067705000 /nfs/dbraw/zinc/70/50/00/1067705000.db2.gz CGUAISRLWDXDOQ-HXUWFJFHSA-N 1 0 458.021 4.861 20 0 JJADRO CCC1([NH+]2CCCCC2)CCN(C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC001460708685 1067705755 /nfs/dbraw/zinc/70/57/55/1067705755.db2.gz MGXSYYDGYUREGU-SFHVURJKSA-N 1 0 459.856 4.573 20 0 JJADRO CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001460719282 1067708707 /nfs/dbraw/zinc/70/87/07/1067708707.db2.gz NHUNZDUVNNVAGI-QFIPXVFZSA-N 1 0 452.599 4.874 20 0 JJADRO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC001460731024 1067711606 /nfs/dbraw/zinc/71/16/06/1067711606.db2.gz NAWNKIDDUWUYLD-UHFFFAOYSA-N 1 0 458.624 4.822 20 0 JJADRO COc1cccc(COCC(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001460730841 1067711773 /nfs/dbraw/zinc/71/17/73/1067711773.db2.gz XQWVSLOZJVZXON-HHHXNRCGSA-N 1 0 450.623 4.895 20 0 JJADRO O[C@H]1C[C@]([NH2+]Cc2ccc(OCc3ccccc3F)nc2)(c2ccc(Br)cc2)C1 ZINC001460736987 1067712530 /nfs/dbraw/zinc/71/25/30/1067712530.db2.gz MWOFKCBSWJUFSH-UHGJSFDGSA-N 1 0 457.343 4.702 20 0 JJADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN[C@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001460750284 1067715499 /nfs/dbraw/zinc/71/54/99/1067715499.db2.gz WJVWAUZCAZGDPM-QGZVFWFLSA-N 1 0 452.401 4.826 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001460748678 1067715516 /nfs/dbraw/zinc/71/55/16/1067715516.db2.gz NTDFMXSGHOATMJ-UHFFFAOYSA-N 1 0 456.608 4.514 20 0 JJADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](Cc1nc3c(s1)C(C)(C)CC(C)(C)C3)C2 ZINC001460775751 1067721069 /nfs/dbraw/zinc/72/10/69/1067721069.db2.gz SYJREAYQOLRQNH-KRXBEKAOSA-N 1 0 491.698 4.671 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](C[C@H](O)c1ccccc1Br)C2 ZINC001460777569 1067721575 /nfs/dbraw/zinc/72/15/75/1067721575.db2.gz GKAUGMOXKYTUHF-SIKLNZKXSA-N 1 0 453.421 4.596 20 0 JJADRO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779780 1067722221 /nfs/dbraw/zinc/72/22/21/1067722221.db2.gz YTXIAMSDZBSCCE-GNMOFYLKSA-N 1 0 455.643 4.856 20 0 JJADRO Cc1cc(Cl)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Br ZINC001460780649 1067722566 /nfs/dbraw/zinc/72/25/66/1067722566.db2.gz DZICGSISHGPRER-HOTGVXAUSA-N 1 0 453.812 4.597 20 0 JJADRO O=C(OCc1ccccc1)N1CCC(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)CC1 ZINC001460848189 1067734374 /nfs/dbraw/zinc/73/43/74/1067734374.db2.gz KFNHLPGQEJDPNN-UHFFFAOYSA-N 1 0 450.505 4.657 20 0 JJADRO CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001460865070 1067737219 /nfs/dbraw/zinc/73/72/19/1067737219.db2.gz YLYHETLYUYVFLJ-HXUWFJFHSA-N 1 0 458.565 4.872 20 0 JJADRO C[C@](CO)(Cc1ccccc1F)[NH2+]C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001460868612 1067738385 /nfs/dbraw/zinc/73/83/85/1067738385.db2.gz MRGVCRMLLUPJLG-DNQXCXABSA-N 1 0 458.371 4.872 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001460883947 1067742246 /nfs/dbraw/zinc/74/22/46/1067742246.db2.gz BKQIRKNWYXDPCA-XRXFAXGQSA-N 1 0 451.652 4.506 20 0 JJADRO O=C(C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920736 1067748381 /nfs/dbraw/zinc/74/83/81/1067748381.db2.gz DPNORINQFDCSNS-RTBURBONSA-N 1 0 455.986 4.669 20 0 JJADRO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH2+][C@H](C)Cc1cccnc1 ZINC001460934624 1067750739 /nfs/dbraw/zinc/75/07/39/1067750739.db2.gz VPOIHQFQJFZCDT-OAHLLOKOSA-N 1 0 457.983 4.800 20 0 JJADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001460972367 1067755002 /nfs/dbraw/zinc/75/50/02/1067755002.db2.gz SNKWABYPMYHPBB-UHFFFAOYSA-N 1 0 451.655 4.709 20 0 JJADRO C[C@H]([NH2+][C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C)C(=O)N1CCSc2ccccc21 ZINC001460983197 1067756695 /nfs/dbraw/zinc/75/66/95/1067756695.db2.gz UVCCHNOPSXPWJO-XWDORNJCSA-N 1 0 459.656 4.528 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001460990285 1067758558 /nfs/dbraw/zinc/75/85/58/1067758558.db2.gz YTGBGLIEPCMXKL-YASKCIBGSA-N 1 0 451.652 4.839 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[N@H+](CCCCOc1ccccc1C(F)(F)F)CCO2 ZINC001460991849 1067758821 /nfs/dbraw/zinc/75/88/21/1067758821.db2.gz OCSHIPKQLCBYTJ-JOCHJYFZSA-N 1 0 458.521 4.576 20 0 JJADRO CCn1c(Br)c(Br)nc1C[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC001461000047 1067760552 /nfs/dbraw/zinc/76/05/52/1067760552.db2.gz SEVFTMRWYMKVGG-UHFFFAOYSA-N 1 0 455.116 4.779 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H](c3ccco3)N3CCCCC3)o2)C1 ZINC001461011637 1067761885 /nfs/dbraw/zinc/76/18/85/1067761885.db2.gz HRYLBFJXKBZOMS-IRLDBZIGSA-N 1 0 457.615 4.748 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Br)s3)o2)C1 ZINC001461012038 1067761990 /nfs/dbraw/zinc/76/19/90/1067761990.db2.gz OBSYGTBGHQJIEM-CQSZACIVSA-N 1 0 455.418 4.952 20 0 JJADRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001461019594 1067763061 /nfs/dbraw/zinc/76/30/61/1067763061.db2.gz PVQLXIYYTUQRLV-UHFFFAOYSA-N 1 0 457.640 4.813 20 0 JJADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC001461021080 1067763420 /nfs/dbraw/zinc/76/34/20/1067763420.db2.gz RIPZEBYKJMXDGH-UHFFFAOYSA-N 1 0 456.384 4.862 20 0 JJADRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC001461026880 1067764694 /nfs/dbraw/zinc/76/46/94/1067764694.db2.gz YULIRVMRPNAKKY-OAQYLSRUSA-N 1 0 455.558 4.829 20 0 JJADRO CCN(CC)[C@H](C[NH2+]Cc1cc(C)c(I)cc1C)Cc1ccccc1 ZINC001461029421 1067765185 /nfs/dbraw/zinc/76/51/85/1067765185.db2.gz GSJSSMNJPXENSE-NRFANRHFSA-N 1 0 450.408 4.951 20 0 JJADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC001461043963 1067768640 /nfs/dbraw/zinc/76/86/40/1067768640.db2.gz XMYVALPYXIPNON-AWEZNQCLSA-N 1 0 453.892 4.993 20 0 JJADRO Cc1ccc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC001461050932 1067769987 /nfs/dbraw/zinc/76/99/87/1067769987.db2.gz OBRHJTOFXCTDIX-KOSHJBKYSA-N 1 0 456.993 4.740 20 0 JJADRO COc1ccc(Oc2cc(C[NH2+]C3CCN(C(=O)c4ccccc4Cl)CC3)ccn2)cc1 ZINC001461058125 1067771774 /nfs/dbraw/zinc/77/17/74/1067771774.db2.gz WAXDPMXUPXPCQA-UHFFFAOYSA-N 1 0 451.954 4.930 20 0 JJADRO CCC1(CC)CN(c2nnc(CSc3ccccc3OC)n2CC[N@H+]2CC=CCC2)CCS1 ZINC001546121187 1067772844 /nfs/dbraw/zinc/77/28/44/1067772844.db2.gz OEADZIVANZXCGT-UHFFFAOYSA-N 1 0 487.739 4.953 20 0 JJADRO CCC1(CC)CN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCS1 ZINC001546121269 1067774999 /nfs/dbraw/zinc/77/49/99/1067774999.db2.gz QTSFBKWPSNWXEA-NHCUHLMSSA-N 1 0 461.651 4.684 20 0 JJADRO CCC1(CC)CN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCS1 ZINC001546121268 1067775120 /nfs/dbraw/zinc/77/51/20/1067775120.db2.gz QTSFBKWPSNWXEA-LEWJYISDSA-N 1 0 461.651 4.684 20 0 JJADRO COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001461095196 1067780934 /nfs/dbraw/zinc/78/09/34/1067780934.db2.gz HNHUIUJRNVBFLX-UHFFFAOYSA-N 1 0 450.608 4.926 20 0 JJADRO COc1cc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)cc(OC)c1OCC(F)F ZINC001461099674 1067781643 /nfs/dbraw/zinc/78/16/43/1067781643.db2.gz QLSJPVVCFDEEJB-UHFFFAOYSA-N 1 0 455.929 4.839 20 0 JJADRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001461110176 1067783711 /nfs/dbraw/zinc/78/37/11/1067783711.db2.gz CDWQYEADTVIOSO-AZUAARDMSA-N 1 0 456.583 4.677 20 0 JJADRO CCOc1cc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)cc(Br)c1OC ZINC001461112674 1067784136 /nfs/dbraw/zinc/78/41/36/1067784136.db2.gz QFQBUKJOCKFPTI-UHFFFAOYSA-N 1 0 450.373 4.695 20 0 JJADRO COc1cccc(C(=O)NCC[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)c1 ZINC001461116600 1067784548 /nfs/dbraw/zinc/78/45/48/1067784548.db2.gz XFZZWVOGUBGLMJ-UHFFFAOYSA-N 1 0 458.537 4.515 20 0 JJADRO CCCC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461124273 1067786162 /nfs/dbraw/zinc/78/61/62/1067786162.db2.gz RUFGILJLCJSNCR-JOCHJYFZSA-N 1 0 458.002 4.999 20 0 JJADRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCNC(=O)c2cccc(O)c2)cc1 ZINC001461127006 1067786435 /nfs/dbraw/zinc/78/64/35/1067786435.db2.gz BCXKDURZEBQRBK-UHFFFAOYSA-N 1 0 454.574 4.717 20 0 JJADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCc2ccc(OC)c(OC)c2OC)c1 ZINC001461139927 1067787922 /nfs/dbraw/zinc/78/79/22/1067787922.db2.gz WFUAWBXPFDAWPK-UHFFFAOYSA-N 1 0 453.583 4.672 20 0 JJADRO O[C@@](C[NH2+]Cc1ccc(Br)c(Br)c1)(c1ccccc1)C(F)(F)F ZINC001461145520 1067788638 /nfs/dbraw/zinc/78/86/38/1067788638.db2.gz CULOFMIILWMGIZ-HNNXBMFYSA-N 1 0 453.096 4.751 20 0 JJADRO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1N)c1ccc2c(c1)CCC(=O)N2 ZINC001461156275 1067790541 /nfs/dbraw/zinc/79/05/41/1067790541.db2.gz SGAYHAFDBHQOJC-SNVBAGLBSA-N 1 0 453.178 4.529 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001461158625 1067790995 /nfs/dbraw/zinc/79/09/95/1067790995.db2.gz CAFMTZJJMQNJAH-UHFFFAOYSA-N 1 0 458.437 4.789 20 0 JJADRO Cc1ccc(OCc2nc(CN[C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cs2)cc1 ZINC001461173963 1067792782 /nfs/dbraw/zinc/79/27/82/1067792782.db2.gz YZPFGJBYYYQCNI-IBGZPJMESA-N 1 0 454.615 4.772 20 0 JJADRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]CCSc1ncc(C(F)(F)F)cc1Cl)C2 ZINC001461174644 1067793121 /nfs/dbraw/zinc/79/31/21/1067793121.db2.gz TVBKVCNQJRJVCW-UHFFFAOYSA-N 1 0 451.942 4.835 20 0 JJADRO COc1ncc(Br)cc1C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001461188230 1067795618 /nfs/dbraw/zinc/79/56/18/1067795618.db2.gz ADFJEDJFNVJZIY-UHFFFAOYSA-N 1 0 459.215 4.914 20 0 JJADRO COc1cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)ccc1OCc1ccc(F)cc1 ZINC001461197102 1067797474 /nfs/dbraw/zinc/79/74/74/1067797474.db2.gz MJHBDBGMEUXDJJ-UHFFFAOYSA-N 1 0 452.526 4.656 20 0 JJADRO CCOc1c(Cl)cc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)cc1OC ZINC001461205701 1067798894 /nfs/dbraw/zinc/79/88/94/1067798894.db2.gz YPDXEHARBNLUES-UHFFFAOYSA-N 1 0 455.780 4.937 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc(C(C)(C)C)cc3)o2)C1 ZINC001461204563 1067798988 /nfs/dbraw/zinc/79/89/88/1067798988.db2.gz HQSLLXDTGGXLGO-NFBKMPQASA-N 1 0 456.627 4.958 20 0 JJADRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cn1 ZINC001461207711 1067799434 /nfs/dbraw/zinc/79/94/34/1067799434.db2.gz APOGKRVVFAIQHY-JOCHJYFZSA-N 1 0 452.505 4.736 20 0 JJADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@](C)(O)c2ccccc2)cc1OC ZINC001461211875 1067800365 /nfs/dbraw/zinc/80/03/65/1067800365.db2.gz PAUXMHRSAGFATL-MUUNZHRXSA-N 1 0 457.574 4.613 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC001461215035 1067800842 /nfs/dbraw/zinc/80/08/42/1067800842.db2.gz DVIUFCWHCVWSBN-GJZGRUSLSA-N 1 0 457.833 4.937 20 0 JJADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)C1 ZINC001461215950 1067801105 /nfs/dbraw/zinc/80/11/05/1067801105.db2.gz XYHPEWATEBBMSY-UWUNEBHHSA-N 1 0 454.412 4.986 20 0 JJADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC001461215394 1067801250 /nfs/dbraw/zinc/80/12/50/1067801250.db2.gz HRSDCXLYTFPOBW-CQSZACIVSA-N 1 0 453.306 4.723 20 0 JJADRO C[N@@H+]1CCC[C@H](CNCc2c(Br)cncc2Br)[C@@H]1c1cccs1 ZINC001461235170 1067806347 /nfs/dbraw/zinc/80/63/47/1067806347.db2.gz YOTLQMOUGUEUIB-SJKOYZFVSA-N 1 0 459.251 4.841 20 0 JJADRO COc1cc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c(-c2ccccc2)cc1OC ZINC001461238179 1067806979 /nfs/dbraw/zinc/80/69/79/1067806979.db2.gz ZMYWWPAITMIOHV-OAQYLSRUSA-N 1 0 455.938 4.619 20 0 JJADRO Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)c(Br)c3)C2=O)cc1 ZINC001461253945 1067811034 /nfs/dbraw/zinc/81/10/34/1067811034.db2.gz QWVTYPIFBCJZOX-SFHVURJKSA-N 1 0 452.190 4.805 20 0 JJADRO CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001461257258 1067811969 /nfs/dbraw/zinc/81/19/69/1067811969.db2.gz XGTKVQSHHBCISE-BBHUYCHWSA-N 1 0 458.624 4.605 20 0 JJADRO CCOc1cc(C[NH2+]C[C@]2(N(C)C)CCSC2)ccc1OCc1c(F)cccc1Cl ZINC001461264195 1067813455 /nfs/dbraw/zinc/81/34/55/1067813455.db2.gz KKEJMFHJEUTYNX-HSZRJFAPSA-N 1 0 453.023 4.984 20 0 JJADRO COC1(C[NH2+]Cc2cc(I)c(Br)cc2F)CCCCC1 ZINC001461443260 1067857823 /nfs/dbraw/zinc/85/78/23/1067857823.db2.gz WEARWNGGWRVXNB-UHFFFAOYSA-N 1 0 456.137 4.632 20 0 JJADRO Cc1ccc(C(=O)N[C@H](CC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272365 1067815383 /nfs/dbraw/zinc/81/53/83/1067815383.db2.gz MKEATNJPWMTPER-UHSQPCAPSA-N 1 0 455.602 4.637 20 0 JJADRO Clc1cc(Cl)c(OCC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c(Cl)c1 ZINC001461274663 1067815982 /nfs/dbraw/zinc/81/59/82/1067815982.db2.gz MSDWWZKMIBXHIQ-UHFFFAOYSA-N 1 0 454.741 4.977 20 0 JJADRO COc1ccccc1C[C@H]([NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)C(C)C ZINC001461277540 1067816703 /nfs/dbraw/zinc/81/67/03/1067816703.db2.gz XPHMCGQZVZUESB-QFIPXVFZSA-N 1 0 457.615 4.702 20 0 JJADRO CC[C@@H]([NH2+]Cc1c(Br)c2ccccc2n1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461282784 1067817602 /nfs/dbraw/zinc/81/76/02/1067817602.db2.gz VELHNKCZFFMZFQ-OFNKIYASSA-N 1 0 456.428 4.710 20 0 JJADRO CCCCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1(C)C ZINC001461286766 1067818450 /nfs/dbraw/zinc/81/84/50/1067818450.db2.gz NZWAYJLFOSGABQ-LEWJYISDSA-N 1 0 451.449 4.936 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001461288695 1067818795 /nfs/dbraw/zinc/81/87/95/1067818795.db2.gz KARUFVOBOAVQSE-HYBUGGRVSA-N 1 0 451.611 4.836 20 0 JJADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1ccccc1I ZINC001461305588 1067823557 /nfs/dbraw/zinc/82/35/57/1067823557.db2.gz DJVFUJWIFXUURQ-UHFFFAOYSA-N 1 0 452.361 4.731 20 0 JJADRO CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCSCC1 ZINC001461308094 1067824643 /nfs/dbraw/zinc/82/46/43/1067824643.db2.gz KCVVCGRGSHQICX-UHFFFAOYSA-N 1 0 450.670 4.668 20 0 JJADRO O=C(N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326406 1067829027 /nfs/dbraw/zinc/82/90/27/1067829027.db2.gz AGVFAPBRFLQQTN-VQTJNVASSA-N 1 0 455.332 4.587 20 0 JJADRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)c1 ZINC001461337027 1067832341 /nfs/dbraw/zinc/83/23/41/1067832341.db2.gz VDKKASAVAVNEFP-JOCHJYFZSA-N 1 0 453.627 4.541 20 0 JJADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)CCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC001461337658 1067832550 /nfs/dbraw/zinc/83/25/50/1067832550.db2.gz WLMMVCNDBQGWNU-UHFFFAOYSA-N 1 0 450.410 4.581 20 0 JJADRO COc1cc(Cl)c(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)cc1OC ZINC001461342484 1067834185 /nfs/dbraw/zinc/83/41/85/1067834185.db2.gz ATHBCTDZJHNIGS-UHFFFAOYSA-N 1 0 453.808 4.874 20 0 JJADRO COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001461344383 1067834948 /nfs/dbraw/zinc/83/49/48/1067834948.db2.gz NWGNBGHOEMEEAR-CYVLTUHYSA-N 1 0 454.567 4.966 20 0 JJADRO O=S(=O)(Nc1ccc(F)cc1)c1ccc(C[NH2+]Cc2cc(Br)cs2)cc1 ZINC001461348589 1067835993 /nfs/dbraw/zinc/83/59/93/1067835993.db2.gz YZVJDGBIPCRCQU-UHFFFAOYSA-N 1 0 455.374 4.740 20 0 JJADRO C[C@H]([NH2+]Cc1ccc(I)s1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001461360058 1067838591 /nfs/dbraw/zinc/83/85/91/1067838591.db2.gz UWNXYZKNECQKBF-LIRRHRJNSA-N 1 0 457.377 4.768 20 0 JJADRO CC(=O)N(c1nc(CNC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cs1)c1ccc(F)cc1 ZINC001461372723 1067840633 /nfs/dbraw/zinc/84/06/33/1067840633.db2.gz LMBYOYYSQLBUSP-KRWDZBQOSA-N 1 0 453.587 4.677 20 0 JJADRO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001461373129 1067840656 /nfs/dbraw/zinc/84/06/56/1067840656.db2.gz NTGORLWSURUJQL-HXUWFJFHSA-N 1 0 450.627 4.690 20 0 JJADRO COC(OC)c1ccc(F)c(C[NH2+][C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001461381708 1067842814 /nfs/dbraw/zinc/84/28/14/1067842814.db2.gz XSOBFUJPUAPJQF-RBBKRZOGSA-N 1 0 452.929 4.750 20 0 JJADRO COc1cc(Br)c(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001461381219 1067842854 /nfs/dbraw/zinc/84/28/54/1067842854.db2.gz LBDPUDUTRWHMII-KAGYGMCKSA-N 1 0 459.428 4.857 20 0 JJADRO CN1CC[C@H](C[NH2+]Cc2cccc(I)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461408083 1067848559 /nfs/dbraw/zinc/84/85/59/1067848559.db2.gz QFCLEUXDGMLRNL-DNVCBOLYSA-N 1 0 458.746 4.866 20 0 JJADRO CN1CC[C@@H](C[NH2+]Cc2cccc(I)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461408096 1067848565 /nfs/dbraw/zinc/84/85/65/1067848565.db2.gz QFCLEUXDGMLRNL-KXBFYZLASA-N 1 0 458.746 4.866 20 0 JJADRO COc1c(Br)cc(CNc2c[nH+]ccc2-n2cc(C)cn2)cc1Br ZINC001461409981 1067848959 /nfs/dbraw/zinc/84/89/59/1067848959.db2.gz RCYYLLLTHVJVGW-UHFFFAOYSA-N 1 0 452.150 4.721 20 0 JJADRO Cc1ccc(NCc2cccc(Br)c2OC(F)F)cc1NC(=O)CC[NH+](C)C ZINC001461417391 1067851243 /nfs/dbraw/zinc/85/12/43/1067851243.db2.gz ONJIVNBCJACOBK-UHFFFAOYSA-N 1 0 456.331 4.861 20 0 JJADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc(Cl)c1OC ZINC001461419262 1067852117 /nfs/dbraw/zinc/85/21/17/1067852117.db2.gz ZOJZHUUNXRVPHV-MRXNPFEDSA-N 1 0 456.892 4.657 20 0 JJADRO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(Br)cc3C)C2=O)ccc1Br ZINC001461420497 1067852142 /nfs/dbraw/zinc/85/21/42/1067852142.db2.gz OWXUPZZWTHFKBO-SFHVURJKSA-N 1 0 452.190 4.724 20 0 JJADRO CC1(C(=O)Nc2ccc(I)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC001461422009 1067853225 /nfs/dbraw/zinc/85/32/25/1067853225.db2.gz WCRSFZSPXHBKGP-UHFFFAOYSA-N 1 0 452.311 4.671 20 0 JJADRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC001461430373 1067854404 /nfs/dbraw/zinc/85/44/04/1067854404.db2.gz CNPSEYGYZYJOQK-HNNXBMFYSA-N 1 0 459.226 4.873 20 0 JJADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC001461434622 1067855522 /nfs/dbraw/zinc/85/55/22/1067855522.db2.gz VPMARAPVDVLMBE-SFHVURJKSA-N 1 0 456.428 4.873 20 0 JJADRO CCOc1c(Br)cc(Br)cc1C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC001461435040 1067855751 /nfs/dbraw/zinc/85/57/51/1067855751.db2.gz VMSCUYAUAPASGA-KRWDZBQOSA-N 1 0 457.206 4.612 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)c21 ZINC001461435297 1067855799 /nfs/dbraw/zinc/85/57/99/1067855799.db2.gz WHWZISWEGPTYLW-KCWPFWIISA-N 1 0 454.586 4.987 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)c21 ZINC001461435323 1067855809 /nfs/dbraw/zinc/85/58/09/1067855809.db2.gz WHWZISWEGPTYLW-WNCULLNHSA-N 1 0 454.586 4.987 20 0 JJADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461435674 1067856352 /nfs/dbraw/zinc/85/63/52/1067856352.db2.gz KNXQAGYNUYZBQD-WCQYABFASA-N 1 0 455.315 4.954 20 0 JJADRO COc1cc(Br)ccc1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001461452380 1067860236 /nfs/dbraw/zinc/86/02/36/1067860236.db2.gz GGFNRZOVSJZRDM-UHFFFAOYSA-N 1 0 451.162 4.900 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001461457704 1067861337 /nfs/dbraw/zinc/86/13/37/1067861337.db2.gz ZXBBHAZMMNXGCG-DEOSSOPVSA-N 1 0 451.014 4.525 20 0 JJADRO CC(C)(C)OC(=O)N1CCN([C@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C(F)(F)F)CC1 ZINC001461456696 1067861382 /nfs/dbraw/zinc/86/13/82/1067861382.db2.gz UAMSHDFXVSJNSE-MRXNPFEDSA-N 1 0 456.336 4.567 20 0 JJADRO COc1cc(I)c(Cl)cc1C[NH2+]Cc1cnc2c(F)cccc2c1 ZINC001461464544 1067863144 /nfs/dbraw/zinc/86/31/44/1067863144.db2.gz WSHIDYXKFPFKKJ-UHFFFAOYSA-N 1 0 456.686 4.930 20 0 JJADRO C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001461464247 1067863292 /nfs/dbraw/zinc/86/32/92/1067863292.db2.gz PIHIFLJPHQEMMH-DEQJRXDXSA-N 1 0 451.311 4.849 20 0 JJADRO CC(C)(C)OC(=O)N1CCN([C@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C(F)(F)F)CC1 ZINC001461467886 1067864575 /nfs/dbraw/zinc/86/45/75/1067864575.db2.gz XEEZSYGJTPDTJI-OAQYLSRUSA-N 1 0 455.565 4.917 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CCc1ccccc1Br)CCO2 ZINC001461474648 1067867604 /nfs/dbraw/zinc/86/76/04/1067867604.db2.gz YOXLUZDMOQYAMP-GOSISDBHSA-N 1 0 453.421 4.530 20 0 JJADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CCN1C(=O)OC(C)(C)C ZINC001461476267 1067868510 /nfs/dbraw/zinc/86/85/10/1067868510.db2.gz XXNAHVSNQGDIPX-GCJKJVERSA-N 1 0 459.631 4.857 20 0 JJADRO CN(C)C(=O)Nc1ccc(C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)c(Cl)c1 ZINC001461477479 1067869305 /nfs/dbraw/zinc/86/93/05/1067869305.db2.gz RKUUUERZHBUUSJ-UHFFFAOYSA-N 1 0 457.987 4.890 20 0 JJADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC001461481027 1067870778 /nfs/dbraw/zinc/87/07/78/1067870778.db2.gz OCJZQOKTDMFEBI-UHFFFAOYSA-N 1 0 454.018 4.912 20 0 JJADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001461482493 1067871907 /nfs/dbraw/zinc/87/19/07/1067871907.db2.gz YVPDPUYAWLEICI-HSZRJFAPSA-N 1 0 456.030 4.563 20 0 JJADRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)Cc2cccc(OCCCOc3ccccc3)c2)C1 ZINC001461499286 1067877027 /nfs/dbraw/zinc/87/70/27/1067877027.db2.gz DHELYDDESBCZSY-VWLOTQADSA-N 1 0 458.602 4.987 20 0 JJADRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC001461516009 1067880207 /nfs/dbraw/zinc/88/02/07/1067880207.db2.gz MMJDRMZKYNDVQO-GOSISDBHSA-N 1 0 458.375 4.692 20 0 JJADRO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1=O ZINC001461531667 1067882529 /nfs/dbraw/zinc/88/25/29/1067882529.db2.gz LJAHSSVYVRWXTR-BTYIYWSLSA-N 1 0 459.359 4.706 20 0 JJADRO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1=O ZINC001461531681 1067882622 /nfs/dbraw/zinc/88/26/22/1067882622.db2.gz LJAHSSVYVRWXTR-YCRPNKLZSA-N 1 0 459.359 4.706 20 0 JJADRO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1=O ZINC001461533156 1067883085 /nfs/dbraw/zinc/88/30/85/1067883085.db2.gz ODDIRJVHLPCFFV-YCRPNKLZSA-N 1 0 456.359 4.978 20 0 JJADRO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1=O ZINC001461533150 1067883177 /nfs/dbraw/zinc/88/31/77/1067883177.db2.gz ODDIRJVHLPCFFV-VFNWGFHPSA-N 1 0 456.359 4.978 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H]3CCN(c4ccccc4F)C3)o2)C1 ZINC001461537450 1067883735 /nfs/dbraw/zinc/88/37/35/1067883735.db2.gz AXZUYIKZFRKFCK-VQTJNVASSA-N 1 0 457.590 4.593 20 0 JJADRO COCO[C@H](C)c1cc(F)c(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1Br ZINC001461553181 1067887108 /nfs/dbraw/zinc/88/71/08/1067887108.db2.gz MNRHDZWGAXBHJZ-SZNDQCEHSA-N 1 0 457.359 4.801 20 0 JJADRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccc2)CCO1 ZINC001461577263 1067892808 /nfs/dbraw/zinc/89/28/08/1067892808.db2.gz XHABRMULESFUML-IFMALSPDSA-N 1 0 456.384 4.772 20 0 JJADRO COc1cc(NCc2cn(-c3cccc(Br)c3)nc2C)ccc1OCC[NH+](C)C ZINC001461585442 1067894344 /nfs/dbraw/zinc/89/43/44/1067894344.db2.gz MSQKOWPFWGWAEP-UHFFFAOYSA-N 1 0 459.388 4.504 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC001461587893 1067895040 /nfs/dbraw/zinc/89/50/40/1067895040.db2.gz WUUPQCZLCNGWGI-JWQCQUIFSA-N 1 0 465.638 4.611 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001461594565 1067896374 /nfs/dbraw/zinc/89/63/74/1067896374.db2.gz DRIJLCKKTIOWFL-QFIPXVFZSA-N 1 0 452.986 4.692 20 0 JJADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC001461592344 1067896437 /nfs/dbraw/zinc/89/64/37/1067896437.db2.gz MQJPENHBKWMQQG-NVXWUHKLSA-N 1 0 456.178 4.625 20 0 JJADRO CC(C)[C@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CC[N@@H+]1Cc1ccccc1 ZINC001461597464 1067897731 /nfs/dbraw/zinc/89/77/31/1067897731.db2.gz KCIMVTQZSAGTKG-HSZRJFAPSA-N 1 0 452.396 4.980 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001461607923 1067900763 /nfs/dbraw/zinc/90/07/63/1067900763.db2.gz OJVPWKFCJZCAAB-SLFFLAALSA-N 1 0 452.574 4.699 20 0 JJADRO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cnc3ccc(Br)cn13)CSC2 ZINC001461613853 1067902222 /nfs/dbraw/zinc/90/22/22/1067902222.db2.gz AXEROZVMGTYIRX-MRXNPFEDSA-N 1 0 453.203 4.937 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cc(OC)cc(OC)c2)cc1 ZINC001461623589 1067903683 /nfs/dbraw/zinc/90/36/83/1067903683.db2.gz AXGLYBPMCPMJDA-DQEYMECFSA-N 1 0 470.610 4.985 20 0 JJADRO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC001461625864 1067904482 /nfs/dbraw/zinc/90/44/82/1067904482.db2.gz CKLSZMQBCFNUJM-BSWQBHCVSA-N 1 0 457.638 4.519 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccc([S@](C)=O)cc2)cc1 ZINC001461630865 1067905647 /nfs/dbraw/zinc/90/56/47/1067905647.db2.gz VMMYXEULSFNWTQ-IKTKBOKFSA-N 1 0 472.651 4.706 20 0 JJADRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 ZINC001461643014 1067908072 /nfs/dbraw/zinc/90/80/72/1067908072.db2.gz OUFVHFCYAWSPIF-HXUWFJFHSA-N 1 0 459.421 4.919 20 0 JJADRO COCC[C@H](C[NH2+][C@H]1CCCSc2ccc(Br)cc21)NC(=O)OC(C)(C)C ZINC001461643693 1067908463 /nfs/dbraw/zinc/90/84/63/1067908463.db2.gz LFLKLFQGSPPZLH-WBVHZDCISA-N 1 0 459.450 4.896 20 0 JJADRO CCCOc1c(Br)cc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1OCC ZINC001461644966 1067908503 /nfs/dbraw/zinc/90/85/03/1067908503.db2.gz HTHKATTWQYGZOC-IBGZPJMESA-N 1 0 453.421 4.660 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCc2ccc(I)cc2)cc1 ZINC001461652779 1067910345 /nfs/dbraw/zinc/91/03/45/1067910345.db2.gz MXKCZYAHILONFV-UHFFFAOYSA-N 1 0 452.336 4.971 20 0 JJADRO Cc1cc(Br)c(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1Br ZINC001461654053 1067910983 /nfs/dbraw/zinc/91/09/83/1067910983.db2.gz DCJMNAWGUWCMMV-LBPRGKRZSA-N 1 0 450.215 4.865 20 0 JJADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@]2(C)COc3ccccc3O2)cc1Br ZINC001461663182 1067912867 /nfs/dbraw/zinc/91/28/67/1067912867.db2.gz WJUIUBLVPBYHBB-SPLOXXLWSA-N 1 0 454.336 4.589 20 0 JJADRO CN(CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2Cl)CC1)C(=O)OC(C)(C)C ZINC001461662570 1067912959 /nfs/dbraw/zinc/91/29/59/1067912959.db2.gz LNIGQJCQPVHDAB-UHFFFAOYSA-N 1 0 458.430 4.721 20 0 JJADRO COc1c(Br)cccc1C[NH2+][C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C ZINC001461669457 1067914589 /nfs/dbraw/zinc/91/45/89/1067914589.db2.gz PRFXQMWXWBUFNF-LZQZEXGQSA-N 1 0 453.421 4.971 20 0 JJADRO COc1c(Br)cc(Br)cc1C[NH2+]CCCCC(=O)OC(C)(C)C ZINC001461685105 1067917830 /nfs/dbraw/zinc/91/78/30/1067917830.db2.gz AGROWLNCCXMWSE-UHFFFAOYSA-N 1 0 451.199 4.822 20 0 JJADRO COc1cc(C[NH2+]C[C@H]2CN(Cc3ccc(C)cc3)CCO2)ccc1OCc1cccs1 ZINC001461696079 1067920385 /nfs/dbraw/zinc/92/03/85/1067920385.db2.gz UAPMCAKCDPJUGX-QHCPKHFHSA-N 1 0 452.620 4.635 20 0 JJADRO CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CCCC1 ZINC001546126382 1067921235 /nfs/dbraw/zinc/92/12/35/1067921235.db2.gz VVSSDOZNUQEKIW-LEWJYISDSA-N 1 0 473.637 4.685 20 0 JJADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1csc(-c2sccc2Br)n1 ZINC001461702931 1067921988 /nfs/dbraw/zinc/92/19/88/1067921988.db2.gz NTIAVGSGTOALSC-ZFWWWQNUSA-N 1 0 456.475 4.898 20 0 JJADRO CC[NH+]1CCN(c2ccc(NCc3csc(COc4ccc(OC)cc4)n3)cc2F)CC1 ZINC001461705976 1067922261 /nfs/dbraw/zinc/92/22/61/1067922261.db2.gz KPFCSNAZZDLBRU-UHFFFAOYSA-N 1 0 456.587 4.624 20 0 JJADRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCCOc1cccc(Br)c1 ZINC001461725269 1067926283 /nfs/dbraw/zinc/92/62/83/1067926283.db2.gz VPLFOJHZTOJFCA-HSZRJFAPSA-N 1 0 459.428 4.977 20 0 JJADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@]2(c3ccccc3)CCCO2)CC1 ZINC001461779769 1067935734 /nfs/dbraw/zinc/93/57/34/1067935734.db2.gz YEMMZSIFQSAMFK-DEOSSOPVSA-N 1 0 457.412 4.658 20 0 JJADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC001461782821 1067936487 /nfs/dbraw/zinc/93/64/87/1067936487.db2.gz QCBQNQSMMWCSGP-WOJBJXKFSA-N 1 0 463.022 4.682 20 0 JJADRO CSc1ccc(Br)cc1CC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC001461786723 1067937200 /nfs/dbraw/zinc/93/72/00/1067937200.db2.gz MODQPNQXPDDXHY-UHFFFAOYSA-N 1 0 455.219 4.914 20 0 JJADRO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)ccc1OCc1c(C)noc1C ZINC001461798438 1067938630 /nfs/dbraw/zinc/93/86/30/1067938630.db2.gz ZXCWFDVHXPCVLY-NRSPTQNISA-N 1 0 457.571 4.509 20 0 JJADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@H]2CCC[C@H]2C(=O)OC(C)(C)C)cc1Br ZINC001461815698 1067941359 /nfs/dbraw/zinc/94/13/59/1067941359.db2.gz YJOIJOVAHWLVCL-MUKKUYKPSA-N 1 0 460.384 4.870 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC001461821321 1067942153 /nfs/dbraw/zinc/94/21/53/1067942153.db2.gz UOUCQNIFKJDENT-LJQANCHMSA-N 1 0 452.039 4.694 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2cccc(Br)c2)C1 ZINC001461833918 1067943797 /nfs/dbraw/zinc/94/37/97/1067943797.db2.gz WSFYRFMTNLTOJI-KRWDZBQOSA-N 1 0 452.190 4.735 20 0 JJADRO Brc1cc(Br)cc(C[NH2+][C@H]2C[C@]3(CCOC3)Oc3ccccc32)c1 ZINC001461835436 1067944122 /nfs/dbraw/zinc/94/41/22/1067944122.db2.gz IIPLYQARAKZUAL-HKUYNNGSSA-N 1 0 453.174 4.984 20 0 JJADRO C/C=C\COc1cccc(CC(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)c1 ZINC001461836196 1067944177 /nfs/dbraw/zinc/94/41/77/1067944177.db2.gz LJMVNGBITBLYDS-NYPGBQQYSA-N 1 0 457.412 4.856 20 0 JJADRO COc1cc(OC)cc(C(=O)N2CC[NH+](CCCCc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001461840770 1067944899 /nfs/dbraw/zinc/94/48/99/1067944899.db2.gz BJKFKMLVIIZMGD-UHFFFAOYSA-N 1 0 450.501 4.503 20 0 JJADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001461844586 1067945702 /nfs/dbraw/zinc/94/57/02/1067945702.db2.gz JYPFRFYOMVVGLP-XMSQKQJNSA-N 1 0 459.428 4.950 20 0 JJADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cnn1C ZINC001461844437 1067945798 /nfs/dbraw/zinc/94/57/98/1067945798.db2.gz KZFZFYKPQBZSII-GOSISDBHSA-N 1 0 454.537 4.563 20 0 JJADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCO1 ZINC001461854815 1067947731 /nfs/dbraw/zinc/94/77/31/1067947731.db2.gz YKJWFCVRTIKTOL-PGRDOPGGSA-N 1 0 451.007 4.882 20 0 JJADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC001461874037 1067952168 /nfs/dbraw/zinc/95/21/68/1067952168.db2.gz LFDMVPDKMLBDEB-FCHUYYIVSA-N 1 0 453.608 4.979 20 0 JJADRO COC(=O)c1ccc(C[N@H+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)c(Br)c1 ZINC001461878864 1067952964 /nfs/dbraw/zinc/95/29/64/1067952964.db2.gz AKXKJSPQLQTHKF-UHFFFAOYSA-N 1 0 455.393 4.503 20 0 JJADRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)Cc1ccccc12 ZINC001461883670 1067954133 /nfs/dbraw/zinc/95/41/33/1067954133.db2.gz QQSLJAVVFSKBBC-UHFFFAOYSA-N 1 0 453.558 4.792 20 0 JJADRO CCCOc1ccc(CC(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)cc1OCCC ZINC001461885618 1067954584 /nfs/dbraw/zinc/95/45/84/1067954584.db2.gz YCRZJDLCKYEXAU-UHFFFAOYSA-N 1 0 450.623 4.813 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H](C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1C1CC1 ZINC001461907011 1067959233 /nfs/dbraw/zinc/95/92/33/1067959233.db2.gz BXTLVKSAHMSPNU-DNQXCXABSA-N 1 0 455.643 4.583 20 0 JJADRO O=C(NC[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1)c1ccccc1 ZINC001461915715 1067960651 /nfs/dbraw/zinc/96/06/51/1067960651.db2.gz KDOYOSAYQXATAF-HXUWFJFHSA-N 1 0 456.512 4.592 20 0 JJADRO COC1CCC(C[NH+]2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)CC1 ZINC001461953706 1067968244 /nfs/dbraw/zinc/96/82/44/1067968244.db2.gz JBTNGSCABIOXPP-ZRZPHAQCSA-N 1 0 452.521 4.639 20 0 JJADRO CC[N@H+](Cc1cccc(S(N)(=O)=O)c1)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001461972906 1067972360 /nfs/dbraw/zinc/97/23/60/1067972360.db2.gz XZQDLDZXNWBHQD-UHFFFAOYSA-N 1 0 452.620 4.860 20 0 JJADRO C[C@@H]1C[C@@H](N(C)Cc2cccc(F)c2I)CC[N@@H+]1Cc1ccccc1 ZINC001461989062 1067976214 /nfs/dbraw/zinc/97/62/14/1067976214.db2.gz ZALZWDNGMCFPHR-APWZRJJASA-N 1 0 452.355 4.915 20 0 JJADRO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccc(N(C)CCOC)nc1 ZINC001461993244 1067976648 /nfs/dbraw/zinc/97/66/48/1067976648.db2.gz GFTZEATZSHARPM-JOCHJYFZSA-N 1 0 450.549 4.674 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC001462047870 1067989351 /nfs/dbraw/zinc/98/93/51/1067989351.db2.gz FIVOQCLUFIYYCV-SFHVURJKSA-N 1 0 454.785 4.806 20 0 JJADRO Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCCN(Cc4ccccc4)C3)C2=O)ccc1Br ZINC001462047807 1067989520 /nfs/dbraw/zinc/98/95/20/1067989520.db2.gz BNEGBJCHOWEJKN-NZQKXSOJSA-N 1 0 456.428 4.507 20 0 JJADRO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(Br)cc3)C2)n1 ZINC001462079345 1067997396 /nfs/dbraw/zinc/99/73/96/1067997396.db2.gz FGDVBQHEJSCPDM-MRXNPFEDSA-N 1 0 454.294 4.892 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)C(F)(F)Cc2ccccc2)cc1 ZINC001462102478 1068003022 /nfs/dbraw/zinc/00/30/22/1068003022.db2.gz BMLBBSKETSQGSG-LOSJGSFVSA-N 1 0 450.529 4.657 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC001462113257 1068006720 /nfs/dbraw/zinc/00/67/20/1068006720.db2.gz XVUOTRQUSAMYCQ-RBBKRZOGSA-N 1 0 456.373 4.795 20 0 JJADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2I)[C@H]1Oc1ccccc1 ZINC001462117748 1068007694 /nfs/dbraw/zinc/00/76/94/1068007694.db2.gz OENBFEVRUXEKAM-IPMKNSEASA-N 1 0 457.739 4.659 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001462122589 1068009354 /nfs/dbraw/zinc/00/93/54/1068009354.db2.gz NBABADORLDGUJY-RBBKRZOGSA-N 1 0 451.998 4.824 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001462124830 1068010696 /nfs/dbraw/zinc/01/06/96/1068010696.db2.gz PTGFJCRLJMACTO-RXVVDRJESA-N 1 0 452.986 4.597 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C(F)(F)F ZINC001462132929 1068012451 /nfs/dbraw/zinc/01/24/51/1068012451.db2.gz ZASLLQHCBZHDQL-ICSRJNTNSA-N 1 0 456.512 4.697 20 0 JJADRO CCC[N@H+](Cc1cn(-c2ccccc2Br)nn1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001462139904 1068013865 /nfs/dbraw/zinc/01/38/65/1068013865.db2.gz WCISETOTYCBKSC-QGZVFWFLSA-N 1 0 456.388 4.659 20 0 JJADRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(I)c(Cl)c2)c(C)c1OC ZINC001462151608 1068016758 /nfs/dbraw/zinc/01/67/58/1068016758.db2.gz MDOCCQWYRYNGTG-LBPRGKRZSA-N 1 0 459.755 4.991 20 0 JJADRO CC(C)(C)OC(=O)NCC[NH+]1CCC(Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC1 ZINC001462152457 1068017098 /nfs/dbraw/zinc/01/70/98/1068017098.db2.gz WFIYDNFLRRDMHZ-UHFFFAOYSA-N 1 0 451.917 4.682 20 0 JJADRO CCOc1cc(C[NH2+]Cc2ccc3c(n2)CCCC3)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462155425 1068018180 /nfs/dbraw/zinc/01/81/80/1068018180.db2.gz OHAYRKODXCPFOG-UHFFFAOYSA-N 1 0 450.535 4.608 20 0 JJADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462159433 1068019153 /nfs/dbraw/zinc/01/91/53/1068019153.db2.gz WVVOKSWDPWUQEE-AUUYWEPGSA-N 1 0 453.327 4.767 20 0 JJADRO COC[C@@H]([NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC001462161850 1068019405 /nfs/dbraw/zinc/01/94/05/1068019405.db2.gz CAHZBRDFGOLHPC-QETWGEEDSA-N 1 0 451.394 4.777 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)Cc1ccncc1 ZINC001462191276 1068025667 /nfs/dbraw/zinc/02/56/67/1068025667.db2.gz RBSHLFBSJIWMNV-DEOSSOPVSA-N 1 0 457.544 4.832 20 0 JJADRO O=C(OCc1ccccc1)c1ccc(C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)[nH]1 ZINC001462216647 1068030896 /nfs/dbraw/zinc/03/08/96/1068030896.db2.gz HZXOTLMCRZRZND-DEOSSOPVSA-N 1 0 458.480 4.882 20 0 JJADRO COc1ccc(S(=O)(=O)N2CCC(Nc3ccc([NH+]4CCCCCC4)cc3C)CC2)cc1 ZINC001462223190 1068031687 /nfs/dbraw/zinc/03/16/87/1068031687.db2.gz TXNMWCRPFAXQAQ-UHFFFAOYSA-N 1 0 457.640 4.649 20 0 JJADRO COc1cc(C[N@@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cc(OC)c1OCC(F)F ZINC001462228630 1068033394 /nfs/dbraw/zinc/03/33/94/1068033394.db2.gz RNNHCMIAKLMHME-QGZVFWFLSA-N 1 0 458.546 4.617 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001462249103 1068037851 /nfs/dbraw/zinc/03/78/51/1068037851.db2.gz RKNVPKWJCVGXPK-PWRODBHTSA-N 1 0 451.652 4.603 20 0 JJADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1)CC3 ZINC001462253106 1068038470 /nfs/dbraw/zinc/03/84/70/1068038470.db2.gz KDEAIZFTZOHOHG-MSOLQXFVSA-N 1 0 457.412 4.546 20 0 JJADRO COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)n1 ZINC001462254937 1068038753 /nfs/dbraw/zinc/03/87/53/1068038753.db2.gz KGBZMGPXJHLLCI-JXHRLWIKSA-N 1 0 457.590 4.791 20 0 JJADRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)o1 ZINC001462267963 1068041087 /nfs/dbraw/zinc/04/10/87/1068041087.db2.gz NCQBTNXMFOLEMO-HXOBKFHXSA-N 1 0 450.510 4.714 20 0 JJADRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C1=O ZINC001462264423 1068041117 /nfs/dbraw/zinc/04/11/17/1068041117.db2.gz AFKLJTXKZYJSDY-HQDNEAKPSA-N 1 0 459.606 4.503 20 0 JJADRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462272504 1068041558 /nfs/dbraw/zinc/04/15/58/1068041558.db2.gz CMEZJEMDYJXNST-MOPGFXCFSA-N 1 0 455.599 4.814 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(Br)cc2)C12CCOCC2 ZINC001462271916 1068041751 /nfs/dbraw/zinc/04/17/51/1068041751.db2.gz MGKSSQZVOTUABJ-WFRZBGSESA-N 1 0 451.405 4.514 20 0 JJADRO C[NH+](C)C1(C)CCC(NC(=O)c2cc(I)c(Cl)cc2Cl)CC1 ZINC001462276675 1068042615 /nfs/dbraw/zinc/04/26/15/1068042615.db2.gz ACGRTPSFXMCGSC-UHFFFAOYSA-N 1 0 455.167 4.591 20 0 JJADRO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280786 1068042879 /nfs/dbraw/zinc/04/28/79/1068042879.db2.gz GULDXVAWNOYZFR-IIBYNOLFSA-N 1 0 451.485 4.998 20 0 JJADRO O[C@H](c1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293082 1068045460 /nfs/dbraw/zinc/04/54/60/1068045460.db2.gz HODBWIKSXYUPTB-NFBKMPQASA-N 1 0 458.375 4.779 20 0 JJADRO C[C@H](C[N@H+](Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)[C@@H](C)CO)c1ccccc1 ZINC001462293882 1068045532 /nfs/dbraw/zinc/04/55/32/1068045532.db2.gz VOPJEJFNQDPTOW-RTWAWAEBSA-N 1 0 456.627 4.824 20 0 JJADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC001462293122 1068045558 /nfs/dbraw/zinc/04/55/58/1068045558.db2.gz LJSSRGXCOCQZTO-GFCCVEGCSA-N 1 0 457.518 4.505 20 0 JJADRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294334 1068045960 /nfs/dbraw/zinc/04/59/60/1068045960.db2.gz KJIMDJWBRHRFLS-OFNKIYASSA-N 1 0 453.583 4.501 20 0 JJADRO O=C(CNCc1ccccc1Oc1cc(Cl)cc(Cl)c1)NCC[NH+]1CCCCCC1 ZINC001462297795 1068046360 /nfs/dbraw/zinc/04/63/60/1068046360.db2.gz STUGYRAIJXULCA-UHFFFAOYSA-N 1 0 450.410 4.868 20 0 JJADRO CCOP(=O)(CCC[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1)OCC ZINC001462311338 1068048614 /nfs/dbraw/zinc/04/86/14/1068048614.db2.gz KWFKVDVMRKMEOO-UHFFFAOYSA-N 1 0 457.983 4.583 20 0 JJADRO CC(C)(C)OC(=O)NCc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccc(F)cc4)o3)C2)nn1 ZINC001462311213 1068048857 /nfs/dbraw/zinc/04/88/57/1068048857.db2.gz DMPPQWIOLZSLGC-FQEVSTJZSA-N 1 0 455.534 4.539 20 0 JJADRO Cc1cc(NCc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)ccc1OCC[NH+](C)C ZINC001462330325 1068052109 /nfs/dbraw/zinc/05/21/09/1068052109.db2.gz XKPWXOZDQNOYGO-UHFFFAOYSA-N 1 0 457.615 4.699 20 0 JJADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)cnn1C ZINC001462353126 1068057416 /nfs/dbraw/zinc/05/74/16/1068057416.db2.gz CRTVJXITXOWSMC-QFQXNSOFSA-N 1 0 458.622 4.648 20 0 JJADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)cnn1C ZINC001462353125 1068057468 /nfs/dbraw/zinc/05/74/68/1068057468.db2.gz CRTVJXITXOWSMC-LVXARBLLSA-N 1 0 458.622 4.648 20 0 JJADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)cnn1C ZINC001462353123 1068057674 /nfs/dbraw/zinc/05/76/74/1068057674.db2.gz CRTVJXITXOWSMC-HFZDXXHNSA-N 1 0 458.622 4.648 20 0 JJADRO CCOC(=O)Cn1cc(C[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)c(-c2cccnc2)n1 ZINC001462356549 1068058213 /nfs/dbraw/zinc/05/82/13/1068058213.db2.gz IYAYKYBHZOONEA-CVDCTZTESA-N 1 0 452.986 4.978 20 0 JJADRO Clc1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001462355259 1068058438 /nfs/dbraw/zinc/05/84/38/1068058438.db2.gz LPGPWCPNGBGSPV-OAHLLOKOSA-N 1 0 456.837 4.603 20 0 JJADRO CCOc1ccc(-c2nc(C(=O)Nc3ccc(N4CC[NH+](CC)CC4)c(F)c3)cs2)cc1 ZINC001462357976 1068058817 /nfs/dbraw/zinc/05/88/17/1068058817.db2.gz OUNANCJHPBZWOE-UHFFFAOYSA-N 1 0 454.571 4.742 20 0 JJADRO COCC(C)(C)[NH+]1CCN(Cc2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)CC1 ZINC001462364716 1068060708 /nfs/dbraw/zinc/06/07/08/1068060708.db2.gz HKWYOUQJGAULAU-UHFFFAOYSA-N 1 0 452.574 4.655 20 0 JJADRO CC(C)(C)OC(=O)NCC1(CC[NH2+][C@@H]2CC[C@@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001462403320 1068066541 /nfs/dbraw/zinc/06/65/41/1068066541.db2.gz JDVJPNIKEREJJR-XUVXKRRUSA-N 1 0 451.652 4.839 20 0 JJADRO CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001546131411 1068067443 /nfs/dbraw/zinc/06/74/43/1068067443.db2.gz ZEDRBGPGRBJUOE-UHFFFAOYSA-N 1 0 452.466 4.880 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)C1 ZINC001462409584 1068067638 /nfs/dbraw/zinc/06/76/38/1068067638.db2.gz VKDUKHSYTRQZGT-MISYRCLQSA-N 1 0 453.421 4.733 20 0 JJADRO COc1cc(C[NH2+]C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c(Br)cc1O ZINC001462410985 1068068640 /nfs/dbraw/zinc/06/86/40/1068068640.db2.gz MPOPTOJUUMWIER-OAHLLOKOSA-N 1 0 459.425 4.973 20 0 JJADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)[C@H]1Sc1ccccc1 ZINC001462413797 1068069866 /nfs/dbraw/zinc/06/98/66/1068069866.db2.gz VLXFCPZPIPQANC-GUGJDKNPSA-N 1 0 466.569 4.538 20 0 JJADRO C[C@H]1CN(c2ccccc2C[N@@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001462424768 1068071798 /nfs/dbraw/zinc/07/17/98/1068071798.db2.gz GLTUSPSQGZAGAP-GMAHTHKFSA-N 1 0 457.659 4.771 20 0 JJADRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]C[C@@H](O)c2cccc3ccccc32)CC1 ZINC001462431089 1068073131 /nfs/dbraw/zinc/07/31/31/1068073131.db2.gz XLSXNOGVRLDEIN-UXIGSVSMSA-N 1 0 452.982 4.623 20 0 JJADRO CC(C)[C@H]1CN(Cc2cccc(F)c2I)CC[N@@H+]1Cc1ccccc1 ZINC001462442012 1068074987 /nfs/dbraw/zinc/07/49/87/1068074987.db2.gz ULKFUXAONZKKKD-HXUWFJFHSA-N 1 0 452.355 4.773 20 0 JJADRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC001462479266 1068082402 /nfs/dbraw/zinc/08/24/02/1068082402.db2.gz KJXUPMIGMVJKFW-USYVTKNRSA-N 1 0 451.652 4.646 20 0 JJADRO COC(=O)c1ccc(CN[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)c(Br)c1 ZINC001462486927 1068083661 /nfs/dbraw/zinc/08/36/61/1068083661.db2.gz VTQCITAMBLDDPN-SFHVURJKSA-N 1 0 459.306 4.647 20 0 JJADRO COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001462507539 1068087504 /nfs/dbraw/zinc/08/75/04/1068087504.db2.gz NPGSFPCSVOAESC-IZZNHLLZSA-N 1 0 465.638 4.652 20 0 JJADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc2cc(Cl)cc(Cl)c2F)cnn1C ZINC001462513549 1068089118 /nfs/dbraw/zinc/08/91/18/1068089118.db2.gz UXSNMAVEPKTUKD-AWEZNQCLSA-N 1 0 459.393 4.648 20 0 JJADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462516705 1068089532 /nfs/dbraw/zinc/08/95/32/1068089532.db2.gz FDOPNCKGOCKGIH-AWEZNQCLSA-N 1 0 454.409 4.533 20 0 JJADRO CN(C)c1nc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521924 1068091006 /nfs/dbraw/zinc/09/10/06/1068091006.db2.gz KEZGXWVEIPKEEB-KGLIPLIRSA-N 1 0 455.853 4.539 20 0 JJADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)CNc2ccc(C[NH+]3CCCCC3)cc2)cnn1C ZINC001462527397 1068091827 /nfs/dbraw/zinc/09/18/27/1068091827.db2.gz LADIAFPYWFAYJD-JOCHJYFZSA-N 1 0 455.647 4.510 20 0 JJADRO CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001462544058 1068095419 /nfs/dbraw/zinc/09/54/19/1068095419.db2.gz FFZHQTYRNLABNP-XUVXKRRUSA-N 1 0 451.652 4.791 20 0 JJADRO CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001462544055 1068095494 /nfs/dbraw/zinc/09/54/94/1068095494.db2.gz FFZHQTYRNLABNP-VAMGGRTRSA-N 1 0 451.652 4.791 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001462553592 1068097671 /nfs/dbraw/zinc/09/76/71/1068097671.db2.gz KYSBTHVESYOCPG-WBKMXMRLSA-N 1 0 456.608 4.856 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@@H+]([C@@H]2CCC3(C[C@H]2F)OCCO3)C1)C1CCCC1 ZINC001462561451 1068098507 /nfs/dbraw/zinc/09/85/07/1068098507.db2.gz CMFPNQRZKUJHIR-BDKRGJGYSA-N 1 0 454.627 4.806 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC001462570497 1068100611 /nfs/dbraw/zinc/10/06/11/1068100611.db2.gz LMPZSDRLZPYSBU-OYYPCOLYSA-N 1 0 460.540 4.779 20 0 JJADRO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001462601878 1068109622 /nfs/dbraw/zinc/10/96/22/1068109622.db2.gz FYVBCRWFKVDGQM-RNHFSVANSA-N 1 0 451.652 4.888 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001462619108 1068113837 /nfs/dbraw/zinc/11/38/37/1068113837.db2.gz SEEHNXJKSTXORD-QHAWAJNXSA-N 1 0 457.615 4.699 20 0 JJADRO CN1CC[C@H]([NH2+]CC(=O)N2CCCCc3ccccc32)C[C@@H]1c1ccc(Br)cc1 ZINC001462622388 1068114869 /nfs/dbraw/zinc/11/48/69/1068114869.db2.gz MFODRKCUHYYMCZ-JTHBVZDNSA-N 1 0 456.428 4.544 20 0 JJADRO COc1ccc(Br)c(CC(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)c1 ZINC001462627118 1068116309 /nfs/dbraw/zinc/11/63/09/1068116309.db2.gz URSKZRBHRUJNSZ-UHFFFAOYSA-N 1 0 459.428 4.951 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC001462642949 1068122376 /nfs/dbraw/zinc/12/23/76/1068122376.db2.gz HFBRJZLPCQXBNZ-POEPRGHXSA-N 1 0 456.549 4.637 20 0 JJADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCCCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001462649928 1068123972 /nfs/dbraw/zinc/12/39/72/1068123972.db2.gz VYZDLCICIOBRNL-QGZVFWFLSA-N 1 0 455.393 4.505 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC001462675598 1068128566 /nfs/dbraw/zinc/12/85/66/1068128566.db2.gz KPAQAOVUNISWPN-HNNXBMFYSA-N 1 0 454.402 4.701 20 0 JJADRO O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001462691365 1068132790 /nfs/dbraw/zinc/13/27/90/1068132790.db2.gz UMKDXAUOTZCGNC-PXCRPINLSA-N 1 0 452.542 4.580 20 0 JJADRO CCN(Cc1ccncc1)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462706839 1068137780 /nfs/dbraw/zinc/13/77/80/1068137780.db2.gz IFEPRCBSIDSKFK-LOSJGSFVSA-N 1 0 470.038 4.555 20 0 JJADRO Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C[NH+]4CCCC4)c(C(F)(F)F)c3)CC2=O)cc1C ZINC001462728443 1068145132 /nfs/dbraw/zinc/14/51/32/1068145132.db2.gz JKITXBZVVNNPFC-IBGZPJMESA-N 1 0 459.512 4.910 20 0 JJADRO Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C[NH+]4CCCC4)c(C(F)(F)F)c3)CC2=O)cc1C ZINC001462728475 1068145151 /nfs/dbraw/zinc/14/51/51/1068145151.db2.gz JKITXBZVVNNPFC-LJQANCHMSA-N 1 0 459.512 4.910 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)c2cc(Br)c3nccnc3c2)cc1C(F)(F)F ZINC001462732440 1068147086 /nfs/dbraw/zinc/14/70/86/1068147086.db2.gz WQBCUEOQVFDEPB-UHFFFAOYSA-N 1 0 453.262 4.725 20 0 JJADRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccccc1 ZINC001462737718 1068149462 /nfs/dbraw/zinc/14/94/62/1068149462.db2.gz CUFIFLWEWNWKJW-LJQANCHMSA-N 1 0 459.837 4.605 20 0 JJADRO COC(=O)c1cc(Oc2ccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)cc2)ccn1 ZINC001462777646 1068165251 /nfs/dbraw/zinc/16/52/51/1068165251.db2.gz UPVBLFNSQXBKQM-UHFFFAOYSA-N 1 0 459.546 4.901 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)cc1 ZINC001462835080 1068184646 /nfs/dbraw/zinc/18/46/46/1068184646.db2.gz UGLONCHLIUUKFP-OAHLLOKOSA-N 1 0 458.958 4.794 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)C1 ZINC001462838095 1068185095 /nfs/dbraw/zinc/18/50/95/1068185095.db2.gz OQMIKQMQCYEGTO-IAGOWNOFSA-N 1 0 456.530 4.542 20 0 JJADRO CCCOc1ccc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OCCC ZINC001462836892 1068185134 /nfs/dbraw/zinc/18/51/34/1068185134.db2.gz QYEQESWMUQFXNG-RPBOFIJWSA-N 1 0 450.623 4.787 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)Cc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001462839099 1068185780 /nfs/dbraw/zinc/18/57/80/1068185780.db2.gz SVTUSZLUBQBHJC-QZTJIDSGSA-N 1 0 454.558 4.803 20 0 JJADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001462890609 1068204533 /nfs/dbraw/zinc/20/45/33/1068204533.db2.gz WTEWIMNGYQWUQU-FQEVSTJZSA-N 1 0 451.430 4.509 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC001462919093 1068214418 /nfs/dbraw/zinc/21/44/18/1068214418.db2.gz ADVTZCIJJCGCKK-UHFFFAOYSA-N 1 0 455.329 4.553 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001546135189 1068215475 /nfs/dbraw/zinc/21/54/75/1068215475.db2.gz QFMLMSXRGMPZNX-VWNXMTODSA-N 1 0 459.993 4.801 20 0 JJADRO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1csnc1-c1ccccc1 ZINC001462981180 1068237658 /nfs/dbraw/zinc/23/76/58/1068237658.db2.gz HFWHGEDPOLTCOL-JOCHJYFZSA-N 1 0 455.649 4.875 20 0 JJADRO CC1CC[NH+](Cc2cccc(CNS(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)c2)CC1 ZINC001462987681 1068241115 /nfs/dbraw/zinc/24/11/15/1068241115.db2.gz CEZMFBOSFSWWFR-UHFFFAOYSA-N 1 0 458.958 4.652 20 0 JJADRO Cn1nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1C(F)(F)F ZINC001463031549 1068257566 /nfs/dbraw/zinc/25/75/66/1068257566.db2.gz QOBYLTRSBOJQLX-RBUKOAKNSA-N 1 0 462.903 4.947 20 0 JJADRO CC[C@@H](NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)c1nc(C)cs1 ZINC001463055342 1068267948 /nfs/dbraw/zinc/26/79/48/1068267948.db2.gz LIFAGZLYCSWFFM-RBZQAINGSA-N 1 0 469.676 4.799 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cccnc2Oc2ccc(F)cc2)CC1 ZINC001463094732 1068284680 /nfs/dbraw/zinc/28/46/80/1068284680.db2.gz HOCTXCKPJNBGCZ-GOSISDBHSA-N 1 0 455.555 4.517 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cccnc2Oc2ccc(F)cc2)CC1 ZINC001463094735 1068284752 /nfs/dbraw/zinc/28/47/52/1068284752.db2.gz HOCTXCKPJNBGCZ-SFHVURJKSA-N 1 0 455.555 4.517 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1)CC1CC1 ZINC001546136539 1068287556 /nfs/dbraw/zinc/28/75/56/1068287556.db2.gz IGZBBVOHEHJUPQ-MRXNPFEDSA-N 1 0 455.412 4.716 20 0 JJADRO C[C@@]1(NC(=O)[C@@H](C[C@H]2CCCO2)C(F)(F)F)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463149609 1068303764 /nfs/dbraw/zinc/30/37/64/1068303764.db2.gz OQLPSEZQRUNFOG-AGDMDRQQSA-N 1 0 460.540 4.909 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1c1cccs1 ZINC001463152164 1068305032 /nfs/dbraw/zinc/30/50/32/1068305032.db2.gz BPFAXPNNIZHSIA-YVEFUNNKSA-N 1 0 452.951 4.782 20 0 JJADRO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001463223528 1068325730 /nfs/dbraw/zinc/32/57/30/1068325730.db2.gz COVHZEZZPXTPSL-OAQYLSRUSA-N 1 0 457.398 4.809 20 0 JJADRO CCCCCOc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC001463226640 1068327374 /nfs/dbraw/zinc/32/73/74/1068327374.db2.gz SSNYDHIYTBWPSJ-SANMLTNESA-N 1 0 456.652 4.932 20 0 JJADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CC[N@@H+]1Cc1ccccc1 ZINC001463231579 1068329451 /nfs/dbraw/zinc/32/94/51/1068329451.db2.gz OFNMIXSYIZJZHT-PKOBYXMFSA-N 1 0 457.665 4.925 20 0 JJADRO CCS[C@H]1CCC[C@H]1NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264514 1068338945 /nfs/dbraw/zinc/33/89/45/1068338945.db2.gz CQOYDBQMJHRYMO-FQUZAXHOSA-N 1 0 458.693 4.557 20 0 JJADRO CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001463366537 1068374116 /nfs/dbraw/zinc/37/41/16/1068374116.db2.gz SEKHITYDYFAZPY-VWLOTQADSA-N 1 0 456.030 4.811 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC001463414840 1068390192 /nfs/dbraw/zinc/39/01/92/1068390192.db2.gz JDWLQVRGSKYOCI-UHFFFAOYSA-N 1 0 450.029 4.877 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)c1ccc(C[NH+]3CCCCC3)o1)CC2 ZINC001463449741 1068401028 /nfs/dbraw/zinc/40/10/28/1068401028.db2.gz FAFQRSBYDZVZRA-HXUWFJFHSA-N 1 0 459.631 4.813 20 0 JJADRO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC001463466287 1068410138 /nfs/dbraw/zinc/41/01/38/1068410138.db2.gz RMOAQUXDMSDVMU-QFIPXVFZSA-N 1 0 452.620 4.912 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)[NH+]2CCCC2)c1 ZINC001463558694 1068441713 /nfs/dbraw/zinc/44/17/13/1068441713.db2.gz BRXCHWZXPWVGKG-HXUWFJFHSA-N 1 0 459.468 4.535 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001463564921 1068446495 /nfs/dbraw/zinc/44/64/95/1068446495.db2.gz PKHNDBDFUKGEDY-FQEVSTJZSA-N 1 0 450.004 4.652 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC001463569074 1068449814 /nfs/dbraw/zinc/44/98/14/1068449814.db2.gz BXXHRQFCNAQHJB-LJQANCHMSA-N 1 0 459.468 4.936 20 0 JJADRO CC(C)(C)c1nc2ccc(S(=O)(=O)NC[C@]3(C)CC[N@H+](Cc4ccccc4)C3)cc2s1 ZINC001463639457 1068478199 /nfs/dbraw/zinc/47/81/99/1068478199.db2.gz SCSTVTYHLZBKRK-DEOSSOPVSA-N 1 0 457.665 4.784 20 0 JJADRO CC(C)[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)[NH+]1CCCCC1 ZINC001463653870 1068483103 /nfs/dbraw/zinc/48/31/03/1068483103.db2.gz NACWOUFZEJURBO-OAQYLSRUSA-N 1 0 450.004 4.590 20 0 JJADRO COc1ccc([C@@H](CNC(=O)c2cc3c(cccc3Br)[nH]2)[NH+]2CCCCC2)cc1 ZINC001463660964 1068486279 /nfs/dbraw/zinc/48/62/79/1068486279.db2.gz QHOBRMUGKJIURS-JOCHJYFZSA-N 1 0 456.384 4.896 20 0 JJADRO COc1ccc([C@@H](CNC(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)[NH+]2CCCCC2)cc1 ZINC001463663093 1068487038 /nfs/dbraw/zinc/48/70/38/1068487038.db2.gz XRFLJCUWLDEFOA-XZOQPEGZSA-N 1 0 459.631 4.518 20 0 JJADRO O=C(NCC1(N2CCOCC2)CCCCC1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001463663285 1068487204 /nfs/dbraw/zinc/48/72/04/1068487204.db2.gz YXMZLMVEDCHHEI-UHFFFAOYSA-N 1 0 453.530 4.594 20 0 JJADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC001463674034 1068490390 /nfs/dbraw/zinc/49/03/90/1068490390.db2.gz AXTHZKNBAAMSFW-UHFFFAOYSA-N 1 0 458.249 4.643 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC001463706051 1068500793 /nfs/dbraw/zinc/50/07/93/1068500793.db2.gz KKKPPJATMHEJHB-UHFFFAOYSA-N 1 0 451.858 4.624 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccc1 ZINC001463722343 1068504817 /nfs/dbraw/zinc/50/48/17/1068504817.db2.gz DRGLAKYGHHXRGO-RUZDIDTESA-N 1 0 459.590 4.750 20 0 JJADRO CC(C)Oc1ccc(S(=O)(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c2ccccc12 ZINC001463748267 1068512017 /nfs/dbraw/zinc/51/20/17/1068512017.db2.gz USWUCVPNWVVWBJ-UHFFFAOYSA-N 1 0 452.620 4.960 20 0 JJADRO COc1c(C)cc(S(=O)(=O)N2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)cc1C ZINC001463755388 1068513970 /nfs/dbraw/zinc/51/39/70/1068513970.db2.gz MVXHNOJTUGLBSJ-XMMPIXPASA-N 1 0 458.668 4.666 20 0 JJADRO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001463793074 1068525765 /nfs/dbraw/zinc/52/57/65/1068525765.db2.gz BEFBTFLKUTWMDE-UHFFFAOYSA-N 1 0 452.039 4.752 20 0 JJADRO CC(C)C[C@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)NC(=O)OC(C)(C)C ZINC001463797480 1068527960 /nfs/dbraw/zinc/52/79/60/1068527960.db2.gz WSTVOEXTVVKYSQ-OAQYLSRUSA-N 1 0 452.039 4.750 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001463808247 1068532384 /nfs/dbraw/zinc/53/23/84/1068532384.db2.gz HCWNXJGGQMQKFI-UHFFFAOYSA-N 1 0 457.290 4.874 20 0 JJADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001463813229 1068534082 /nfs/dbraw/zinc/53/40/82/1068534082.db2.gz UMOKEJDLBPTFHK-JOCHJYFZSA-N 1 0 459.428 4.557 20 0 JJADRO O=C([C@@H](F)CN(Cc1ccccc1)Cc1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001463825473 1068536868 /nfs/dbraw/zinc/53/68/68/1068536868.db2.gz GYHRSHMPRUSLOM-NDEPHWFRSA-N 1 0 459.609 4.761 20 0 JJADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C2CCC(F)(F)CC2)cc1 ZINC001463832415 1068540583 /nfs/dbraw/zinc/54/05/83/1068540583.db2.gz SRTOXISOYZEIIZ-BJKOFHAPSA-N 1 0 462.606 4.803 20 0 JJADRO CO[C@@H](CC(C)C)CS(=O)(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001463832912 1068540645 /nfs/dbraw/zinc/54/06/45/1068540645.db2.gz DTSVXMZLPKCBLN-LOSJGSFVSA-N 1 0 450.689 4.534 20 0 JJADRO CCN1C(=O)C[C@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H]1c1cccc(C)c1 ZINC001463832854 1068540668 /nfs/dbraw/zinc/54/06/68/1068540668.db2.gz AZPPZKIKXNDHMX-UMXIMWEHSA-N 1 0 454.014 4.511 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1(C)C ZINC001463838712 1068542930 /nfs/dbraw/zinc/54/29/30/1068542930.db2.gz RNSZEKHLFJYINS-DFQSSKMNSA-N 1 0 450.023 4.533 20 0 JJADRO Cc1cc(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n1C(C)C ZINC001463839091 1068543536 /nfs/dbraw/zinc/54/35/36/1068543536.db2.gz KOADKCUGKCTZGL-UHFFFAOYSA-N 1 0 450.549 4.647 20 0 JJADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001463839351 1068543759 /nfs/dbraw/zinc/54/37/59/1068543759.db2.gz MIAZISIJQBVYGF-WWPVKYPJSA-N 1 0 451.577 4.940 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)nn(C)c1Sc1ccccc1)c1cccc(OC)c1 ZINC001463909984 1068562167 /nfs/dbraw/zinc/56/21/67/1068562167.db2.gz BWTDDUIPGWZJGF-QFIPXVFZSA-N 1 0 452.624 4.701 20 0 JJADRO C[NH+](C)CCn1c2cc(C(=O)N[C@H](CCCc3ccccc3)c3ccccc3)ccc2[nH]c1=O ZINC001463915769 1068564838 /nfs/dbraw/zinc/56/48/38/1068564838.db2.gz DWTZBGBHEMTRDB-XMMPIXPASA-N 1 0 456.590 4.798 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)C(F)(F)c1cccc(Br)c1)c1cccc(OC)c1 ZINC001463917108 1068565089 /nfs/dbraw/zinc/56/50/89/1068565089.db2.gz OLDQDJFKMPRMGF-IBGZPJMESA-N 1 0 455.343 4.749 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC001463917485 1068565411 /nfs/dbraw/zinc/56/54/11/1068565411.db2.gz PPKOYYUGQBYIHV-HSZRJFAPSA-N 1 0 455.599 4.784 20 0 JJADRO CC(C)[NH+]1CCC(N(C)C(=O)CCc2cc(Br)c(Br)s2)CC1 ZINC001463919908 1068566158 /nfs/dbraw/zinc/56/61/58/1068566158.db2.gz VATPVORFYWXYQS-UHFFFAOYSA-N 1 0 452.256 4.537 20 0 JJADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001463990279 1068582364 /nfs/dbraw/zinc/58/23/64/1068582364.db2.gz IMWJIBIZLHIBFZ-UHFFFAOYSA-N 1 0 453.892 4.665 20 0 JJADRO C[C@H](CC[NH+](C)C)C(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1 ZINC001464029558 1068593388 /nfs/dbraw/zinc/59/33/88/1068593388.db2.gz WIBJRQOKLONYSB-CQSZACIVSA-N 1 0 459.896 4.507 20 0 JJADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464075032 1068606327 /nfs/dbraw/zinc/60/63/27/1068606327.db2.gz XZAUTMMWKUNMHY-AWEZNQCLSA-N 1 0 452.780 4.894 20 0 JJADRO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001464094232 1068612624 /nfs/dbraw/zinc/61/26/24/1068612624.db2.gz XTLOFEGDYBXGMX-FXBPSFAMSA-N 1 0 451.920 4.614 20 0 JJADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(Br)ccc1Br ZINC001464096840 1068613964 /nfs/dbraw/zinc/61/39/64/1068613964.db2.gz CIZDLRPCLAJYHE-UHFFFAOYSA-N 1 0 452.190 4.737 20 0 JJADRO CC[C@@H](CNC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C)[N@@H+]1CCc2ccccc2C1 ZINC001464097590 1068614195 /nfs/dbraw/zinc/61/41/95/1068614195.db2.gz GPKIFTMNMRUQBZ-NRFANRHFSA-N 1 0 456.512 4.971 20 0 JJADRO COc1ccccc1Nc1ccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC001464100192 1068615476 /nfs/dbraw/zinc/61/54/76/1068615476.db2.gz UAARRRPSAXCSAQ-SANMLTNESA-N 1 0 458.606 4.547 20 0 JJADRO CC[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001464103075 1068616906 /nfs/dbraw/zinc/61/69/06/1068616906.db2.gz XGKUSUIODUXEIM-RPWUZVMVSA-N 1 0 457.659 4.803 20 0 JJADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1[C@H]2CCCCCC[C@H]12 ZINC001464118432 1068621258 /nfs/dbraw/zinc/62/12/58/1068621258.db2.gz CKVPPLGXUMYRBD-VXKWHMMOSA-N 1 0 451.577 4.940 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)C[C@@H](C)O1 ZINC001464122180 1068622364 /nfs/dbraw/zinc/62/23/64/1068622364.db2.gz RCULXXQJLAKBNP-QZTJIDSGSA-N 1 0 459.512 4.743 20 0 JJADRO CCc1sc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1Br ZINC001464122068 1068622492 /nfs/dbraw/zinc/62/24/92/1068622492.db2.gz OQFKTIOHVVSPHP-HUUCEWRRSA-N 1 0 451.430 4.612 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3sc(SC4CCCC4)nc3C)cc2)CC1 ZINC001464124326 1068623667 /nfs/dbraw/zinc/62/36/67/1068623667.db2.gz IIWCCAKSEWKXTD-UHFFFAOYSA-N 1 0 458.697 4.805 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)c2)n1 ZINC001464154332 1068635690 /nfs/dbraw/zinc/63/56/90/1068635690.db2.gz CWVIHVQMPCRAIZ-GOSISDBHSA-N 1 0 459.594 4.705 20 0 JJADRO CCn1c2ccccc2nc1SCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001464192043 1068650328 /nfs/dbraw/zinc/65/03/28/1068650328.db2.gz GWBAQEDSEOFCIC-PMACEKPBSA-N 1 0 450.652 4.943 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)C1 ZINC001464193592 1068651610 /nfs/dbraw/zinc/65/16/10/1068651610.db2.gz LNYYGUZODWZQBU-YDIMBITNSA-N 1 0 452.620 4.502 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C23CCC(CC2)N3C(=O)OC(C)(C)C)C1 ZINC001464199736 1068653619 /nfs/dbraw/zinc/65/36/19/1068653619.db2.gz CTWTUSNNTGYXCY-IPWVUAKDSA-N 1 0 455.643 4.713 20 0 JJADRO C[C@H](CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)[N@@H+]1CCCC[C@@H]1C ZINC001464201007 1068654271 /nfs/dbraw/zinc/65/42/71/1068654271.db2.gz QVYUPXOLIZGDEF-DLBZAZTESA-N 1 0 458.400 4.694 20 0 JJADRO Cc1ccc2nc(COc3ccccc3C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)cn2c1 ZINC001464201143 1068654883 /nfs/dbraw/zinc/65/48/83/1068654883.db2.gz WYWRBAJUMUIPKG-UHFFFAOYSA-N 1 0 456.590 4.992 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(NC(=O)N(C)C)cc3Cl)cc2)C1 ZINC001464216000 1068660511 /nfs/dbraw/zinc/66/05/11/1068660511.db2.gz XUHQOCGOFPGFKH-QZTJIDSGSA-N 1 0 457.018 4.841 20 0 JJADRO CCn1c2ccccc2nc1SCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001464217960 1068661798 /nfs/dbraw/zinc/66/17/98/1068661798.db2.gz RWOHMUUGVDCKHS-BGYRXZFFSA-N 1 0 450.652 4.943 20 0 JJADRO COc1ccc(SCCC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc1OC ZINC001464219266 1068662427 /nfs/dbraw/zinc/66/24/27/1068662427.db2.gz YBHDLGCIMYWTIO-WOJBJXKFSA-N 1 0 456.652 4.980 20 0 JJADRO Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2)cc1 ZINC001464222208 1068663849 /nfs/dbraw/zinc/66/38/49/1068663849.db2.gz GLNFWEBADZPKRD-JOCHJYFZSA-N 1 0 451.611 4.673 20 0 JJADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464230830 1068667053 /nfs/dbraw/zinc/66/70/53/1068667053.db2.gz KLCAWYBTRIXBCY-DLBZAZTESA-N 1 0 450.764 4.646 20 0 JJADRO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464234099 1068667809 /nfs/dbraw/zinc/66/78/09/1068667809.db2.gz IYUAHWWBLIEUNG-CLOONOSVSA-N 1 0 451.586 4.981 20 0 JJADRO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464239233 1068670572 /nfs/dbraw/zinc/67/05/72/1068670572.db2.gz SBCVYHXTYKMSET-SIKLNZKXSA-N 1 0 451.586 4.839 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)C3(c4cccc(Br)c4)CC(=O)C3)cc2)CC1 ZINC001464250934 1068675932 /nfs/dbraw/zinc/67/59/32/1068675932.db2.gz ZPACHKXRQUZDDV-UHFFFAOYSA-N 1 0 455.396 4.920 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 ZINC001464260714 1068680019 /nfs/dbraw/zinc/68/00/19/1068680019.db2.gz GNKSRZZNCFDLHB-UHFFFAOYSA-N 1 0 455.400 4.715 20 0 JJADRO C[C@H](C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464299970 1068697770 /nfs/dbraw/zinc/69/77/70/1068697770.db2.gz QPAKBJDQYAUHFJ-XUZZJYLKSA-N 1 0 453.627 4.521 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1ccccc1NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC001464333065 1068709558 /nfs/dbraw/zinc/70/95/58/1068709558.db2.gz MDSHRSAHZGBWDE-QFIPXVFZSA-N 1 0 453.583 4.999 20 0 JJADRO C[C@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)C[NH+]1CCCCC1 ZINC001464354053 1068717239 /nfs/dbraw/zinc/71/72/39/1068717239.db2.gz JLRZLXFTUDFMAV-GOSISDBHSA-N 1 0 459.516 4.534 20 0 JJADRO CN(c1ccc(NC(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)cc1)C1CC[NH+](C)CC1 ZINC001464359473 1068718847 /nfs/dbraw/zinc/71/88/47/1068718847.db2.gz VZDUFTIZJMNOCR-UHFFFAOYSA-N 1 0 458.647 4.583 20 0 JJADRO CCC1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCCC1 ZINC001546146570 1068728292 /nfs/dbraw/zinc/72/82/92/1068728292.db2.gz WELLEEUYRLCIIQ-UHFFFAOYSA-N 1 0 473.628 4.928 20 0 JJADRO CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001464410225 1068736237 /nfs/dbraw/zinc/73/62/37/1068736237.db2.gz MVSSUFZNRZFZJA-HSZRJFAPSA-N 1 0 458.647 4.605 20 0 JJADRO O=C(CN(Cc1ccco1)c1cccc(Cl)c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001464412576 1068737349 /nfs/dbraw/zinc/73/73/49/1068737349.db2.gz YUYWSWVRHLEFLJ-UHFFFAOYSA-N 1 0 451.998 4.968 20 0 JJADRO Nc1c(Cl)c(Cl)ccc1C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001464421766 1068739825 /nfs/dbraw/zinc/73/98/25/1068739825.db2.gz WDSFJICRKONBNR-UHFFFAOYSA-N 1 0 456.377 4.545 20 0 JJADRO CC(C)OCc1ccc(NC(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001464422882 1068740393 /nfs/dbraw/zinc/74/03/93/1068740393.db2.gz YCWAWFWLDQOXJZ-HSZRJFAPSA-N 1 0 455.599 4.575 20 0 JJADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1 ZINC001464458752 1068753781 /nfs/dbraw/zinc/75/37/81/1068753781.db2.gz FGJWLFUHMWXHNC-UHFFFAOYSA-N 1 0 455.400 4.633 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001464462065 1068755434 /nfs/dbraw/zinc/75/54/34/1068755434.db2.gz FRYGZAREHKNBSI-HDICACEKSA-N 1 0 453.652 4.975 20 0 JJADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC001464474725 1068759576 /nfs/dbraw/zinc/75/95/76/1068759576.db2.gz GUNWRUIXZZVWKE-UHFFFAOYSA-N 1 0 455.603 4.719 20 0 JJADRO CCCOc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(OCCC)c1 ZINC001464489411 1068764125 /nfs/dbraw/zinc/76/41/25/1068764125.db2.gz RPWYODSTEVYKBH-HSZRJFAPSA-N 1 0 452.595 4.982 20 0 JJADRO CCc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC001464536437 1068775182 /nfs/dbraw/zinc/77/51/82/1068775182.db2.gz AXHIOODTOXIKRI-QFIPXVFZSA-N 1 0 455.400 4.538 20 0 JJADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001464544245 1068777345 /nfs/dbraw/zinc/77/73/45/1068777345.db2.gz JOLZQBJUXMAKRE-INIZCTEOSA-N 1 0 453.384 4.521 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccco1 ZINC001464559207 1068781958 /nfs/dbraw/zinc/78/19/58/1068781958.db2.gz XUKFIUKVMHBSHG-SFHVURJKSA-N 1 0 453.543 4.541 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccco1 ZINC001464559197 1068781986 /nfs/dbraw/zinc/78/19/86/1068781986.db2.gz XUKFIUKVMHBSHG-GOSISDBHSA-N 1 0 453.543 4.541 20 0 JJADRO Cc1csc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1I ZINC001464580833 1068790450 /nfs/dbraw/zinc/79/04/50/1068790450.db2.gz DHWQEHVLEBEIKJ-INIZCTEOSA-N 1 0 454.377 4.536 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)[NH+]2CCCC2)cc1 ZINC001464589214 1068792533 /nfs/dbraw/zinc/79/25/33/1068792533.db2.gz UTHBVJYSTXLXTL-QFIPXVFZSA-N 1 0 452.002 4.919 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)ccc21 ZINC001464590619 1068793288 /nfs/dbraw/zinc/79/32/88/1068793288.db2.gz XFRYPRAGCYCWLE-UHFFFAOYSA-N 1 0 455.624 4.688 20 0 JJADRO CC(C)(CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)NC(=O)OCc1ccccc1 ZINC001464594676 1068793641 /nfs/dbraw/zinc/79/36/41/1068793641.db2.gz IDFYABIWIDQVMY-UHFFFAOYSA-N 1 0 451.611 4.774 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)[NH+]2CCCC2)cc1 ZINC001464597742 1068794898 /nfs/dbraw/zinc/79/48/98/1068794898.db2.gz QFWJYYOQDBUACF-JOCHJYFZSA-N 1 0 456.512 4.826 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)[NH+]2CCCC2)cc1 ZINC001464597744 1068794915 /nfs/dbraw/zinc/79/49/15/1068794915.db2.gz QFWJYYOQDBUACF-QFIPXVFZSA-N 1 0 456.512 4.826 20 0 JJADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1nc2ccc(Br)cn2c1F ZINC001464600332 1068795350 /nfs/dbraw/zinc/79/53/50/1068795350.db2.gz YGWIQRKIUXDEIN-UHFFFAOYSA-N 1 0 459.363 4.542 20 0 JJADRO COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001464600326 1068795827 /nfs/dbraw/zinc/79/58/27/1068795827.db2.gz CMRMDNOQZIJMMX-BKMJKUGQSA-N 1 0 450.623 4.546 20 0 JJADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001464628884 1068803732 /nfs/dbraw/zinc/80/37/32/1068803732.db2.gz LJSCABCCEKVICU-HFSMHLIXSA-N 1 0 455.565 4.632 20 0 JJADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001464659003 1068814765 /nfs/dbraw/zinc/81/47/65/1068814765.db2.gz DDWCHMHYZIHEQH-UHFFFAOYSA-N 1 0 456.505 4.620 20 0 JJADRO Cc1ccc(C(=O)Nc2ccc(OC(=O)CC[NH+]3CCN(c4cccc(C)c4)CC3)cc2)cc1 ZINC001464659902 1068815563 /nfs/dbraw/zinc/81/55/63/1068815563.db2.gz ZXBNWVSTPBJGKN-UHFFFAOYSA-N 1 0 457.574 4.673 20 0 JJADRO C[NH+]1CCC(CNC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)CC1 ZINC001464678085 1068821928 /nfs/dbraw/zinc/82/19/28/1068821928.db2.gz AWVQYBHVAIGEDD-UHFFFAOYSA-N 1 0 454.412 4.988 20 0 JJADRO C[C@@]1(NS(=O)(=O)/C=C\c2ccc(F)cc2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464693055 1068827650 /nfs/dbraw/zinc/82/76/50/1068827650.db2.gz VDMTXEALLDAEER-UHMUAYDHSA-N 1 0 450.579 4.774 20 0 JJADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@H]4C(=O)c5ccccc5[C@H]4C3)c21 ZINC001164405584 718847940 /nfs/dbraw/zinc/84/79/40/718847940.db2.gz LVJOSLVHARZBQK-FGZHOGPDSA-N 1 0 499.998 4.813 20 0 JJADRO Clc1ncc2c(c1N1CC[C@@H]3CCCO[C@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164419865 718900802 /nfs/dbraw/zinc/90/08/02/718900802.db2.gz CYUOCKHMRHXGBC-REWPJTCUSA-N 1 0 454.014 4.762 20 0 JJADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c2ccccc21 ZINC001164424004 718943585 /nfs/dbraw/zinc/94/35/85/718943585.db2.gz MDGNHHGMFKHEOM-NQIIRXRSSA-N 1 0 465.935 4.909 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@@H]3C)nc1 ZINC001164427556 718952222 /nfs/dbraw/zinc/95/22/22/718952222.db2.gz FIFKWXCVQMVONM-BVAGGSTKSA-N 1 0 491.680 4.509 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164620631 719010473 /nfs/dbraw/zinc/01/04/73/719010473.db2.gz ZDFAPYVVOFSTRA-GCJKJVERSA-N 1 0 497.011 4.553 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164618244 719011787 /nfs/dbraw/zinc/01/17/87/719011787.db2.gz RLWKFIWYGZEASL-WMZHIEFXSA-N 1 0 479.955 4.689 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4scc(-c5cccs5)c43)CC2)CC1 ZINC001164613873 719023890 /nfs/dbraw/zinc/02/38/90/719023890.db2.gz INBCHWHOKOIPJE-UHFFFAOYSA-N 1 0 456.637 4.664 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3ccccc3Cl)CC2)CC1 ZINC001164618688 719034672 /nfs/dbraw/zinc/03/46/72/719034672.db2.gz YPPGUJGINYHGDZ-UHFFFAOYSA-N 1 0 479.408 4.820 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1C ZINC001164621955 719047638 /nfs/dbraw/zinc/04/76/38/719047638.db2.gz KJLJXEGSQWBQNR-AMGIVPHBSA-N 1 0 461.679 4.878 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629871 719101675 /nfs/dbraw/zinc/10/16/75/719101675.db2.gz TZAOTUQRXUFJQE-UYAOXDASSA-N 1 0 455.940 4.838 20 0 JJADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]2CF)CC1 ZINC001164625392 719122864 /nfs/dbraw/zinc/12/28/64/719122864.db2.gz XFFFYGQORORSNQ-TZIWHRDSSA-N 1 0 465.642 4.857 20 0 JJADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cc(-c4cccc(C(F)(F)F)c4)nnc3Cl)C[C@H]2CF)CC1 ZINC001164620620 719126484 /nfs/dbraw/zinc/12/64/84/719126484.db2.gz JCWUVBYXCPXUIS-IUODEOHRSA-N 1 0 464.841 4.874 20 0 JJADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccccc3F)nc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164685198 719612398 /nfs/dbraw/zinc/61/23/98/719612398.db2.gz SOIBZMZCUSWXGF-UHFFFAOYSA-N 1 0 464.976 4.761 20 0 JJADRO COc1ccc(-c2nc3ccc(Cl)cc3c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164681119 719627586 /nfs/dbraw/zinc/62/75/86/719627586.db2.gz AYWHZMWOABGXGY-UHFFFAOYSA-N 1 0 477.012 4.630 20 0 JJADRO Cc1cc2ccccc2nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681798 719662463 /nfs/dbraw/zinc/66/24/63/719662463.db2.gz QXRWQUWQIZUJEC-QHCPKHFHSA-N 1 0 456.634 4.637 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cc(Cl)ncc3F)CC2)c2ccccc21 ZINC001164681169 719668485 /nfs/dbraw/zinc/66/84/85/719668485.db2.gz KJGBOYAJQSCBNL-QGZVFWFLSA-N 1 0 494.989 4.512 20 0 JJADRO Cc1nc2cc(Cl)ccc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164682895 719669106 /nfs/dbraw/zinc/66/91/06/719669106.db2.gz PYQHXJLRULTEOT-HXUWFJFHSA-N 1 0 492.067 4.685 20 0 JJADRO Cc1cc(Cl)ncc1C(F)(F)N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680471 719669417 /nfs/dbraw/zinc/66/94/17/719669417.db2.gz FXEMGVMCZMXWMF-IBGZPJMESA-N 1 0 491.026 4.682 20 0 JJADRO Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(Cl)cc1Cl ZINC001164680464 719675691 /nfs/dbraw/zinc/67/56/91/719675691.db2.gz FNMBNOOJCJSFJJ-SFHVURJKSA-N 1 0 475.464 4.790 20 0 JJADRO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164687152 719681908 /nfs/dbraw/zinc/68/19/08/719681908.db2.gz PYBITWKJBQSZRE-HXUWFJFHSA-N 1 0 484.088 4.655 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2ccn4Cc2ccccc2)CC3)cs1 ZINC001164694398 719809808 /nfs/dbraw/zinc/80/98/08/719809808.db2.gz WXDKQHRHNYCLGP-UHFFFAOYSA-N 1 0 458.635 4.880 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)cnc43)CC2)nc1 ZINC001164697384 719830712 /nfs/dbraw/zinc/83/07/12/719830712.db2.gz NXISMNAGGUBOCX-RUZDIDTESA-N 1 0 498.675 4.923 20 0 JJADRO C[C@H]1CCc2c(sc3ncnc(N4CCC5(CC4)C[N@H+](Cc4cccs4)CCO5)c32)C1 ZINC001164694694 719892358 /nfs/dbraw/zinc/89/23/58/719892358.db2.gz CICZPRDVXZIHPK-KRWDZBQOSA-N 1 0 454.665 4.749 20 0 JJADRO O=C(c1ccccc1)n1ccc2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc21 ZINC001164696987 719896948 /nfs/dbraw/zinc/89/69/48/719896948.db2.gz ISBDJKVWPKLNNM-UHFFFAOYSA-N 1 0 472.614 4.658 20 0 JJADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164699101 719897850 /nfs/dbraw/zinc/89/78/50/719897850.db2.gz XDIGNMALRQMOAS-UHFFFAOYSA-N 1 0 474.989 4.994 20 0 JJADRO COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706799 719906703 /nfs/dbraw/zinc/90/67/03/719906703.db2.gz KLUHCLYNVKIUEG-UHFFFAOYSA-N 1 0 487.025 4.864 20 0 JJADRO COCc1nn(-c2nc(CN3CCC(C)CC3)nc3scc(-c4cccs4)c32)c2c1C[NH2+]C2 ZINC001164713774 720078955 /nfs/dbraw/zinc/07/89/55/720078955.db2.gz UDDXQNFSAUFHMN-UHFFFAOYSA-N 1 0 480.663 4.587 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)C2 ZINC001164808477 720092156 /nfs/dbraw/zinc/09/21/56/720092156.db2.gz HQTRRLIAGYESDY-XHCCPWGMSA-N 1 0 464.560 4.760 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164815835 720093396 /nfs/dbraw/zinc/09/33/96/720093396.db2.gz ZZOPADVQWHJJQG-OFNKIYASSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)C2 ZINC001164807474 720094133 /nfs/dbraw/zinc/09/41/33/720094133.db2.gz FSFJQXVHXPFBPX-ABYGYWHVSA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)C2 ZINC001164807480 720094437 /nfs/dbraw/zinc/09/44/37/720094437.db2.gz FSFJQXVHXPFBPX-IRPSRAIASA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164711098 720096559 /nfs/dbraw/zinc/09/65/59/720096559.db2.gz OBTDCDBCSYJIPE-QGZVFWFLSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164711075 720096825 /nfs/dbraw/zinc/09/68/25/720096825.db2.gz NWBQKZJUOMRRLF-GOSISDBHSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164710008 720099417 /nfs/dbraw/zinc/09/94/17/720099417.db2.gz FFQVEKXWDYJWKX-KRWDZBQOSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164712029 720105921 /nfs/dbraw/zinc/10/59/21/720105921.db2.gz UHWFHQCHYIDSSA-QHCPKHFHSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164714940 720106153 /nfs/dbraw/zinc/10/61/53/720106153.db2.gz FVDZGELRIIJLIW-MRXNPFEDSA-N 1 0 455.817 4.944 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)C2 ZINC001164811149 720110275 /nfs/dbraw/zinc/11/02/75/720110275.db2.gz LTRAUUMGGJNBHA-VAVYLYDRSA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164714125 720114558 /nfs/dbraw/zinc/11/45/58/720114558.db2.gz ADPRMCFQHDNVMM-GOSISDBHSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164809718 720125715 /nfs/dbraw/zinc/12/57/15/720125715.db2.gz IMTXQHHBRXLCIC-IERDGZPVSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cc(C)c(C)cc3nc1Cl)CC2 ZINC001164719075 720127226 /nfs/dbraw/zinc/12/72/26/720127226.db2.gz VJAHQNFHEAPWMD-OAQYLSRUSA-N 1 0 466.029 4.803 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(Sc3cccc(C)c3)n1)CC2 ZINC001164713975 720134943 /nfs/dbraw/zinc/13/49/43/720134943.db2.gz UPRSKXMYNRNMRR-HSZRJFAPSA-N 1 0 475.662 4.839 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(OC)ccc3c(Cl)cc(Cl)nc31)C2 ZINC001164810435 720139889 /nfs/dbraw/zinc/13/98/89/720139889.db2.gz JRPNRIXAIREPKM-QMHKHESXSA-N 1 0 450.410 4.735 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164714603 720140987 /nfs/dbraw/zinc/14/09/87/720140987.db2.gz XOXXCJFNNXYFMD-HSZRJFAPSA-N 1 0 480.616 4.594 20 0 JJADRO CCc1nc2sc3c(c2c(N2CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC2)n1)CCC3 ZINC001164711711 720141073 /nfs/dbraw/zinc/14/10/73/720141073.db2.gz IGUPFICHEPGVGY-HXUWFJFHSA-N 1 0 477.678 4.645 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164711758 720149991 /nfs/dbraw/zinc/14/99/91/720149991.db2.gz JTWDUQNBVKLCSH-IBGZPJMESA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164710383 720150312 /nfs/dbraw/zinc/15/03/12/720150312.db2.gz AGSLPSUXMNXAFT-XMMPIXPASA-N 1 0 475.662 4.671 20 0 JJADRO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713090 720152730 /nfs/dbraw/zinc/15/27/30/720152730.db2.gz QOFZNHVUEHLIAW-WIYYLYMNSA-N 1 0 458.050 4.854 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C3CCC3)nc(Cl)c1C)CC2 ZINC001164712688 720154666 /nfs/dbraw/zinc/15/46/66/720154666.db2.gz OJBIQEGSDMMHKG-OAQYLSRUSA-N 1 0 456.034 4.608 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164711387 720158202 /nfs/dbraw/zinc/15/82/02/720158202.db2.gz BKMFSZSJXDOQNX-FQEVSTJZSA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164815636 720172859 /nfs/dbraw/zinc/17/28/59/720172859.db2.gz IQBSBPMVPMBWFW-XXBNENTESA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164818441 720172999 /nfs/dbraw/zinc/17/29/99/720172999.db2.gz SVAMBPPDRIOUQN-NFBKMPQASA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164818721 720189260 /nfs/dbraw/zinc/18/92/60/720189260.db2.gz UIOMGTIVBNYJHB-NZQKXSOJSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(Cc3ccc(Cl)cc3)c(C)n1)C2 ZINC001164818736 720192916 /nfs/dbraw/zinc/19/29/16/720192916.db2.gz ULFOBBGBLMNEJI-BKMJKUGQSA-N 1 0 455.046 4.522 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(OC)cc3)nnc1Cl)C2 ZINC001164811511 720203198 /nfs/dbraw/zinc/20/31/98/720203198.db2.gz JDHPOGCOKPGQQY-CYFREDJKSA-N 1 0 492.998 4.535 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)C2 ZINC001164814584 720203754 /nfs/dbraw/zinc/20/37/54/720203754.db2.gz UUNYPCFCBZLGKL-GBXCKJPGSA-N 1 0 476.999 4.835 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164815262 720204302 /nfs/dbraw/zinc/20/43/02/720204302.db2.gz YAMYNMIOGDVKJS-UZUQRXQVSA-N 1 0 480.962 4.666 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164814579 720205425 /nfs/dbraw/zinc/20/54/25/720205425.db2.gz UNYJOTWJEPDLMD-WZONZLPQSA-N 1 0 454.005 4.734 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164811710 720205771 /nfs/dbraw/zinc/20/57/71/720205771.db2.gz JVQLBBOWCGMFLR-JPYJTQIMSA-N 1 0 480.962 4.666 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccc(Cl)cc3)nc3ccccc31)CCC2 ZINC001164814064 720222893 /nfs/dbraw/zinc/22/28/93/720222893.db2.gz RZRHYFVRSIEDAI-UHFFFAOYSA-N 1 0 489.023 4.757 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3cc(OCc4ccccc4)ccc3n2)CC1 ZINC001164830317 720324866 /nfs/dbraw/zinc/32/48/66/720324866.db2.gz PNZHPPVDTSPULF-VSGBNLITSA-N 1 0 484.644 4.725 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3cc(OCc4ccccc4)ccc3n2)CC1 ZINC001164830319 720325090 /nfs/dbraw/zinc/32/50/90/720325090.db2.gz PNZHPPVDTSPULF-WUFINQPMSA-N 1 0 484.644 4.725 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001164834348 720330434 /nfs/dbraw/zinc/33/04/34/720330434.db2.gz ZMYRGJYSCLEQAA-LEWJYISDSA-N 1 0 496.080 4.923 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001164834355 720330520 /nfs/dbraw/zinc/33/05/20/720330520.db2.gz ZMYRGJYSCLEQAA-SFTDATJTSA-N 1 0 496.080 4.923 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC001164825000 720336738 /nfs/dbraw/zinc/33/67/38/720336738.db2.gz IKYTYQYRDNVDIF-LOSJGSFVSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC001164824995 720337333 /nfs/dbraw/zinc/33/73/33/720337333.db2.gz IKYTYQYRDNVDIF-DQEYMECFSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001164828673 720337562 /nfs/dbraw/zinc/33/75/62/720337562.db2.gz PFWBIACSXVQQNO-VXKWHMMOSA-N 1 0 496.080 4.923 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)nc1 ZINC001164824426 720392528 /nfs/dbraw/zinc/39/25/28/720392528.db2.gz RPCHXRWWYLDCRS-AHCIIZGASA-N 1 0 456.656 4.737 20 0 JJADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730892 720408232 /nfs/dbraw/zinc/40/82/32/720408232.db2.gz JNSBFXXWLAAXPI-FGZHOGPDSA-N 1 0 480.971 4.966 20 0 JJADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164730961 720442411 /nfs/dbraw/zinc/44/24/11/720442411.db2.gz KLGSXVRMXCUUMW-VXKWHMMOSA-N 1 0 499.640 4.625 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4scc(-c5cccs5)c43)CC[C@@H]21 ZINC001164833291 720522705 /nfs/dbraw/zinc/52/27/05/720522705.db2.gz CYENEJKMEKMPIS-BJLQDIEVSA-N 1 0 464.664 4.994 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC001164733969 720524113 /nfs/dbraw/zinc/52/41/13/720524113.db2.gz NKFRXIRNBAXOJC-HXUWFJFHSA-N 1 0 481.579 4.621 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164735864 720542712 /nfs/dbraw/zinc/54/27/12/720542712.db2.gz SNYJNGPYCPHANW-YADARESESA-N 1 0 490.982 4.506 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164735863 720542723 /nfs/dbraw/zinc/54/27/23/720542723.db2.gz SNYJNGPYCPHANW-NTKDMRAZSA-N 1 0 490.982 4.506 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)CC[C@@H]21 ZINC001164834225 720545585 /nfs/dbraw/zinc/54/55/85/720545585.db2.gz CWTZEDLOPMRACB-NWSQWKLXSA-N 1 0 497.018 4.701 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164733757 720548347 /nfs/dbraw/zinc/54/83/47/720548347.db2.gz RNRNXQAQKSRALY-QGZVFWFLSA-N 1 0 468.951 4.997 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164733813 720548490 /nfs/dbraw/zinc/54/84/90/720548490.db2.gz SSBLBMQBJSVKSF-HNNXBMFYSA-N 1 0 468.951 4.997 20 0 JJADRO Clc1cccc(-c2nc3c(c(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)n2)CCCC3)c1 ZINC001164736129 720588784 /nfs/dbraw/zinc/58/87/84/720588784.db2.gz DKPMMVFDCZKKBO-UHFFFAOYSA-N 1 0 463.029 4.531 20 0 JJADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc(-c3ccc(Oc4ccccc4)cc3)nn1)CC2 ZINC001164736757 720590175 /nfs/dbraw/zinc/59/01/75/720590175.db2.gz SOXWQQCJUCJKBE-UHFFFAOYSA-N 1 0 466.589 4.791 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc(Cc4ccccc4)c4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844112 720598524 /nfs/dbraw/zinc/59/85/24/720598524.db2.gz YSMOSXOULCVUTR-FMGHJNRGSA-N 1 0 466.633 4.795 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccsc4)nc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839766 720607472 /nfs/dbraw/zinc/60/74/72/720607472.db2.gz OLZPEDDAERCCLI-ZFGGDYGUSA-N 1 0 458.635 4.933 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839316 720609468 /nfs/dbraw/zinc/60/94/68/720609468.db2.gz NGHZYHZDLHQDOL-ABSDTBQOSA-N 1 0 493.027 4.978 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(F)cc3)CC[C@@H]21 ZINC001164835975 720610309 /nfs/dbraw/zinc/61/03/09/720610309.db2.gz DGVPEXIMAQAJBD-CUWPLCDZSA-N 1 0 470.980 4.636 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836163 720612628 /nfs/dbraw/zinc/61/26/28/720612628.db2.gz DYXOIFQPAYWQHJ-IEIRFRATSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(F)ccc3-c3ccc(Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838849 720621756 /nfs/dbraw/zinc/62/17/56/720621756.db2.gz MAUREGJNADPLEH-ZWCUEREDSA-N 1 0 454.981 4.510 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4cccc5ccccc54)nn3)CC[C@@H]21 ZINC001164839494 720622434 /nfs/dbraw/zinc/62/24/34/720622434.db2.gz NLOWOPKLOOIBRJ-KHVXQDHOSA-N 1 0 452.606 4.871 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835163 720622578 /nfs/dbraw/zinc/62/25/78/720622578.db2.gz AFIDTIZHCIXJQH-IEIRFRATSA-N 1 0 486.998 4.916 20 0 JJADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)c1 ZINC001164836573 720623602 /nfs/dbraw/zinc/62/36/02/720623602.db2.gz FUSROWKLSCJDJQ-AZSVPQILSA-N 1 0 482.632 4.880 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843154 720634252 /nfs/dbraw/zinc/63/42/52/720634252.db2.gz WYQXNKORCIDRML-YQQAZPJKSA-N 1 0 477.909 4.873 20 0 JJADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164842763 720640111 /nfs/dbraw/zinc/64/01/11/720640111.db2.gz VMELROWVUSOTGC-TUNNFDKTSA-N 1 0 467.017 4.805 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3F)CC[C@@H]21 ZINC001164839252 720640599 /nfs/dbraw/zinc/64/05/99/720640599.db2.gz MWGXDSXJKYLXOD-HBFSDRIKSA-N 1 0 470.980 4.636 20 0 JJADRO COCc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccccc2)n1 ZINC001164836946 720664564 /nfs/dbraw/zinc/66/45/64/720664564.db2.gz AIAUOZTVZLXFKD-RUZDIDTESA-N 1 0 458.606 4.550 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CC2 ZINC001164843739 720670297 /nfs/dbraw/zinc/67/02/97/720670297.db2.gz XIUJJFHBGCIHPO-FQEVSTJZSA-N 1 0 492.014 4.535 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164840505 720675095 /nfs/dbraw/zinc/67/50/95/720675095.db2.gz MWUWSNQWHZQKRZ-MRXNPFEDSA-N 1 0 457.352 4.588 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164841059 720678371 /nfs/dbraw/zinc/67/83/71/720678371.db2.gz HIYDTWXGPQZQET-HXUWFJFHSA-N 1 0 456.681 4.605 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164844785 720684179 /nfs/dbraw/zinc/68/41/79/720684179.db2.gz UULOINLDRUMAKH-KRWDZBQOSA-N 1 0 458.940 4.821 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164841924 720693160 /nfs/dbraw/zinc/69/31/60/720693160.db2.gz KEOJKPCFEADPMP-QHCPKHFHSA-N 1 0 479.024 4.969 20 0 JJADRO COc1cc2nc(Cl)c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2cc1OC ZINC001164841862 720693640 /nfs/dbraw/zinc/69/36/40/720693640.db2.gz JOJNESVLNUKNJA-LJQANCHMSA-N 1 0 483.012 4.560 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164842837 720711495 /nfs/dbraw/zinc/71/14/95/720711495.db2.gz ZETRCUNZFFPJPG-QHCPKHFHSA-N 1 0 465.601 4.952 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164842864 720715611 /nfs/dbraw/zinc/71/56/11/720715611.db2.gz ZOCVWCQFGHRADL-HSZRJFAPSA-N 1 0 483.056 4.621 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164836900 720729331 /nfs/dbraw/zinc/72/93/31/720729331.db2.gz IEBBWAIVYPJICI-QGZVFWFLSA-N 1 0 494.011 4.631 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164836899 720729470 /nfs/dbraw/zinc/72/94/70/720729470.db2.gz IEBBWAIVYPJICI-KRWDZBQOSA-N 1 0 494.011 4.631 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c2c1C ZINC001164836767 720739531 /nfs/dbraw/zinc/73/95/31/720739531.db2.gz GBZPNIVGRWDBGS-UHFFFAOYSA-N 1 0 479.698 4.543 20 0 JJADRO COc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c(Cl)nn2)cc1 ZINC001164844956 720740387 /nfs/dbraw/zinc/74/03/87/720740387.db2.gz VUSAKFRXGKCBCP-UHFFFAOYSA-N 1 0 488.970 4.599 20 0 JJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844811 720743720 /nfs/dbraw/zinc/74/37/20/720743720.db2.gz UHQIXQFNAZHCEB-UHFFFAOYSA-N 1 0 480.950 4.791 20 0 JJADRO Cc1cccc(CN2CC[C@]3(CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C3)C2=O)c1 ZINC001164854171 720806831 /nfs/dbraw/zinc/80/68/31/720806831.db2.gz UCUMGUMKZMGKCE-SSEXGKCCSA-N 1 0 466.629 4.577 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164742451 720834801 /nfs/dbraw/zinc/83/48/01/720834801.db2.gz GNJUHEUZKAERAA-BCQCSXDESA-N 1 0 497.622 4.715 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164742454 720834943 /nfs/dbraw/zinc/83/49/43/720834943.db2.gz GNJUHEUZKAERAA-OREGWCPLSA-N 1 0 497.622 4.715 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1C ZINC001164747925 720846944 /nfs/dbraw/zinc/84/69/44/720846944.db2.gz RZIVOSKMZUQGLT-CERRFVOPSA-N 1 0 493.659 4.885 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)s1 ZINC001164740563 720851056 /nfs/dbraw/zinc/85/10/56/720851056.db2.gz CTOJXHHKDSTBHH-AWRGLXIESA-N 1 0 485.661 4.638 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164753086 720851622 /nfs/dbraw/zinc/85/16/22/720851622.db2.gz WIGGRJSFVGZRIB-SONWIMMPSA-N 1 0 497.672 4.843 20 0 JJADRO Fc1ccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755435 720875130 /nfs/dbraw/zinc/87/51/30/720875130.db2.gz WWUBVFLEBGJWCA-IBVKSMDESA-N 1 0 482.003 4.572 20 0 JJADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164751632 720881989 /nfs/dbraw/zinc/88/19/89/720881989.db2.gz DAHMFMBANHZHIZ-CPJSRVTESA-N 1 0 484.069 4.803 20 0 JJADRO Cc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164751630 720882316 /nfs/dbraw/zinc/88/23/16/720882316.db2.gz DAHMFMBANHZHIZ-CJFMBICVSA-N 1 0 484.069 4.803 20 0 JJADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(Cl)c(Cl)c4)c4ccccc43)CC[C@H]2C1 ZINC001164863903 720882603 /nfs/dbraw/zinc/88/26/03/720882603.db2.gz UYOFKQAVFUDSKM-FDDCHVKYSA-N 1 0 487.431 4.777 20 0 JJADRO CSc1cc(Cl)ncc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757503 720884676 /nfs/dbraw/zinc/88/46/76/720884676.db2.gz VIWLVPNFLKMKCD-GBXCKJPGSA-N 1 0 459.059 4.607 20 0 JJADRO Cc1cccc2c(Cl)nnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755047 720887843 /nfs/dbraw/zinc/88/78/43/720887843.db2.gz KKMXTKLQPXIJED-WXVAWEFUSA-N 1 0 478.040 4.742 20 0 JJADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750902 720888079 /nfs/dbraw/zinc/88/80/79/720888079.db2.gz CCRATUZWGFJIDP-WMZHIEFXSA-N 1 0 480.962 4.569 20 0 JJADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750906 720888248 /nfs/dbraw/zinc/88/82/48/720888248.db2.gz CCRATUZWGFJIDP-XXBNENTESA-N 1 0 480.962 4.569 20 0 JJADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750884 720888427 /nfs/dbraw/zinc/88/84/27/720888427.db2.gz CCRATUZWGFJIDP-AUSIDOKSSA-N 1 0 480.962 4.569 20 0 JJADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756052 720889064 /nfs/dbraw/zinc/88/90/64/720889064.db2.gz OHBVJNUNSFAEQJ-CVDCTZTESA-N 1 0 480.962 4.569 20 0 JJADRO Clc1ncc(-c2ccccc2)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755366 720891356 /nfs/dbraw/zinc/89/13/56/720891356.db2.gz LLCVUVQUEGCZDJ-YWEHKCAJSA-N 1 0 490.051 4.947 20 0 JJADRO CSc1nc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755419 720894077 /nfs/dbraw/zinc/89/40/77/720894077.db2.gz MADBKXIFEYAJRS-AJTFRIOCSA-N 1 0 475.662 4.502 20 0 JJADRO Clc1ccccc1-c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164752728 720897430 /nfs/dbraw/zinc/89/74/30/720897430.db2.gz FXPPMOORADCFCS-LXFBAYGMSA-N 1 0 490.051 4.947 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164859719 720902274 /nfs/dbraw/zinc/90/22/74/720902274.db2.gz PPOPLMDGHLXETL-BXTSTYNKSA-N 1 0 462.638 4.577 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164859721 720902307 /nfs/dbraw/zinc/90/23/07/720902307.db2.gz PPOPLMDGHLXETL-INNMJMHTSA-N 1 0 462.638 4.577 20 0 JJADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749001 720911307 /nfs/dbraw/zinc/91/13/07/720911307.db2.gz HFEIQHARWYNQTP-AMGIVPHBSA-N 1 0 484.088 4.886 20 0 JJADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccsc2)n1 ZINC001164750155 720920131 /nfs/dbraw/zinc/92/01/31/720920131.db2.gz JMWZPVBJDLIBAN-IGKIAQTJSA-N 1 0 475.662 4.664 20 0 JJADRO CCOc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164753771 720922373 /nfs/dbraw/zinc/92/23/73/720922373.db2.gz SUGWXDSEHOTVIE-PDDLMNHVSA-N 1 0 499.659 4.692 20 0 JJADRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1-c1ccccc1F ZINC001164746534 720935169 /nfs/dbraw/zinc/93/51/69/720935169.db2.gz BKKKLGNNJMIMLN-PWUYWRBVSA-N 1 0 487.623 4.741 20 0 JJADRO COc1ccc(-c2csc3ncnc(N4CCn5c(C[N@H+](C)C(C)C)cnc5[C@H]4C)c23)cc1 ZINC001164857201 721002352 /nfs/dbraw/zinc/00/23/52/721002352.db2.gz DAJLDYFQJLJIEZ-QGZVFWFLSA-N 1 0 462.623 4.985 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)[C@H]2C ZINC001164860335 721010761 /nfs/dbraw/zinc/01/07/61/721010761.db2.gz LJTPFZAJPJQVMV-INIZCTEOSA-N 1 0 460.960 4.960 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)[C@H]2C ZINC001164857384 721014822 /nfs/dbraw/zinc/01/48/22/721014822.db2.gz DKSVPINXNCAEJI-LBPRGKRZSA-N 1 0 451.871 4.917 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c(Cl)nn2)c1 ZINC001164859462 721022650 /nfs/dbraw/zinc/02/26/50/721022650.db2.gz IENNGVWADNLBLV-INIZCTEOSA-N 1 0 490.986 4.968 20 0 JJADRO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867814 721068453 /nfs/dbraw/zinc/06/84/53/721068453.db2.gz KMSQFDLJAJNMLR-UIOOFZCWSA-N 1 0 463.585 4.685 20 0 JJADRO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867812 721069076 /nfs/dbraw/zinc/06/90/76/721069076.db2.gz KMSQFDLJAJNMLR-IZZNHLLZSA-N 1 0 463.585 4.685 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c23)cc1 ZINC001164867690 721076447 /nfs/dbraw/zinc/07/64/47/721076447.db2.gz ZOGVEIPVXPDEIL-VXKWHMMOSA-N 1 0 457.603 4.541 20 0 JJADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866645 721078557 /nfs/dbraw/zinc/07/85/57/721078557.db2.gz UKFIPFWYPBJUTA-ZWKOTPCHSA-N 1 0 479.358 4.961 20 0 JJADRO Clc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164865683 721085217 /nfs/dbraw/zinc/08/52/17/721085217.db2.gz OGZMMXVLZGBRNW-GOTSBHOMSA-N 1 0 471.992 4.825 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164772191 721100940 /nfs/dbraw/zinc/10/09/40/721100940.db2.gz USJGUILZEMCVQF-UXHICEINSA-N 1 0 476.987 4.781 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164767417 721101758 /nfs/dbraw/zinc/10/17/58/721101758.db2.gz LSCFQPVYOZCCCR-MOPGFXCFSA-N 1 0 476.987 4.781 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164773812 721127689 /nfs/dbraw/zinc/12/76/89/721127689.db2.gz ZCZNQRYGQWINOS-RTWAWAEBSA-N 1 0 458.997 4.642 20 0 JJADRO c1cncc(CO[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)CC[N@@H+]3C2)c1 ZINC001164870314 721139052 /nfs/dbraw/zinc/13/90/52/721139052.db2.gz CMJSOEXTSWGZCW-VXKWHMMOSA-N 1 0 498.656 4.507 20 0 JJADRO Clc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164872106 721140175 /nfs/dbraw/zinc/14/01/75/721140175.db2.gz GQODPWVYGUAITD-RTWAWAEBSA-N 1 0 478.021 4.886 20 0 JJADRO Clc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c23)cc1 ZINC001164872101 721140554 /nfs/dbraw/zinc/14/05/54/721140554.db2.gz GQODPWVYGUAITD-LEWJYISDSA-N 1 0 478.021 4.886 20 0 JJADRO Clc1ccc(-c2cc3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3s2)cc1 ZINC001164878428 721141451 /nfs/dbraw/zinc/14/14/51/721141451.db2.gz QCLLJDPUEDWNMH-NHCUHLMSSA-N 1 0 478.021 4.886 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164878891 721141705 /nfs/dbraw/zinc/14/17/05/721141705.db2.gz QTYGHDNZUXZVBZ-JWQCQUIFSA-N 1 0 465.601 4.788 20 0 JJADRO Fc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164871080 721169849 /nfs/dbraw/zinc/16/98/49/721169849.db2.gz DIBUTTQHHTVRBF-YADHBBJMSA-N 1 0 488.941 4.961 20 0 JJADRO Fc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164871077 721169972 /nfs/dbraw/zinc/16/99/72/721169972.db2.gz DIBUTTQHHTVRBF-FCHUYYIVSA-N 1 0 488.941 4.961 20 0 JJADRO c1ccc(Oc2ccc(-c3ccc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164881093 721171777 /nfs/dbraw/zinc/17/17/77/721171777.db2.gz ZAAVGBHCQKQJOO-SHQCIBLASA-N 1 0 479.584 4.811 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164767656 721172164 /nfs/dbraw/zinc/17/21/64/721172164.db2.gz KHMGGSPMTIGESS-RTBURBONSA-N 1 0 465.026 4.704 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164870179 721193019 /nfs/dbraw/zinc/19/30/19/721193019.db2.gz UDOAMRKVFJQSLW-RTWAWAEBSA-N 1 0 485.966 4.525 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164764990 721194615 /nfs/dbraw/zinc/19/46/15/721194615.db2.gz HJYXHVHCABCTJV-SFTDATJTSA-N 1 0 458.997 4.642 20 0 JJADRO COc1ccc2c(c1)nc(N1C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164767571 721198555 /nfs/dbraw/zinc/19/85/55/721198555.db2.gz JZUHTFUJIYZFBZ-XZOQPEGZSA-N 1 0 453.590 4.602 20 0 JJADRO COc1ccc2c(c1)nc(N1C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164767562 721198881 /nfs/dbraw/zinc/19/88/81/721198881.db2.gz JZUHTFUJIYZFBZ-DHIUTWEWSA-N 1 0 453.590 4.602 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@@H]3C2)cn1 ZINC001164767790 721200339 /nfs/dbraw/zinc/20/03/39/721200339.db2.gz KPFDTKMKWUOGAI-MOPGFXCFSA-N 1 0 465.026 4.704 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164763262 721217343 /nfs/dbraw/zinc/21/73/43/721217343.db2.gz FBKLSJTUVXMNJQ-FCHUYYIVSA-N 1 0 470.646 4.928 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@H]3C2)cn1 ZINC001164771859 721217392 /nfs/dbraw/zinc/21/73/92/721217392.db2.gz RKDWAOKLOZSXCY-NHCUHLMSSA-N 1 0 487.982 4.551 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164761325 721217722 /nfs/dbraw/zinc/21/77/22/721217722.db2.gz AMAYJGBDJOTCEO-IZZNHLLZSA-N 1 0 450.590 4.502 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@@H]3C2)cn1 ZINC001164773847 721225244 /nfs/dbraw/zinc/22/52/44/721225244.db2.gz XJUQZDLGACZVMD-OALUTQOASA-N 1 0 475.946 4.778 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@@H]3C2)cn1 ZINC001164773846 721225810 /nfs/dbraw/zinc/22/58/10/721225810.db2.gz XJUQZDLGACZVMD-MOPGFXCFSA-N 1 0 475.946 4.778 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164762571 721227703 /nfs/dbraw/zinc/22/77/03/721227703.db2.gz LFIBMMZJXMRNFL-DNQXCXABSA-N 1 0 466.589 4.628 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@@H]3C2)cn1 ZINC001164761464 721248893 /nfs/dbraw/zinc/24/88/93/721248893.db2.gz IMXIDCLBSAKNES-IRXDYDNUSA-N 1 0 463.985 4.700 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1 ZINC001164874696 721329572 /nfs/dbraw/zinc/32/95/72/721329572.db2.gz HVARQOMZPUGJPO-JOCHJYFZSA-N 1 0 453.656 4.608 20 0 JJADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4sc(C(C)C)cc43)C2)C1 ZINC001164778750 721332125 /nfs/dbraw/zinc/33/21/25/721332125.db2.gz YBJFDZMBZAQHDM-XMMPIXPASA-N 1 0 455.628 4.539 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cc(Cl)ccc43)C2)C1 ZINC001164777419 721349758 /nfs/dbraw/zinc/34/97/58/721349758.db2.gz GXNFNFFZKJKJKC-HSZRJFAPSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4c(C)ccc(F)c4cc3C)C2)C1 ZINC001164782940 721357498 /nfs/dbraw/zinc/35/74/98/721357498.db2.gz NWKLEGLGSWFIDL-SANMLTNESA-N 1 0 452.574 4.715 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cc(C)ccc43)C2)C1 ZINC001164786066 721359993 /nfs/dbraw/zinc/35/99/93/721359993.db2.gz VOCAAAAZAVHJPB-VWLOTQADSA-N 1 0 455.002 4.920 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cc4ccccc4)c4ccccc43)C2)C1 ZINC001164780289 721365652 /nfs/dbraw/zinc/36/56/52/721365652.db2.gz FPBSRTWIMNSRPE-PMERELPUSA-N 1 0 497.643 4.944 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)ccc4c(Cl)ncnc43)C2)C1 ZINC001164779829 721375976 /nfs/dbraw/zinc/37/59/76/721375976.db2.gz CNFGKMLEYHRCRB-HSZRJFAPSA-N 1 0 476.408 4.660 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164892468 721409508 /nfs/dbraw/zinc/40/95/08/721409508.db2.gz YJBMYLCWTJJNJK-LXFBAYGMSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887710 721419489 /nfs/dbraw/zinc/41/94/89/721419489.db2.gz MNVBXRNOPHPDDI-FIPFOOKPSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887242 721419888 /nfs/dbraw/zinc/41/98/88/721419888.db2.gz LPYPIHVUCSJMCO-NEKDWFFYSA-N 1 0 492.067 4.716 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164785961 721451613 /nfs/dbraw/zinc/45/16/13/721451613.db2.gz KJSPFEOMTTVHBO-LJQANCHMSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164790026 721459650 /nfs/dbraw/zinc/45/96/50/721459650.db2.gz ZAKQXMXZTXLOAJ-SFHVURJKSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164786906 721459761 /nfs/dbraw/zinc/45/97/61/721459761.db2.gz QLYVWTCVAPHDAD-QFIPXVFZSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164787788 721460448 /nfs/dbraw/zinc/46/04/48/721460448.db2.gz SGLMQSUEPULPIK-MRXNPFEDSA-N 1 0 462.849 4.776 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Oc3ccc(SC)cc3)ncn1)CC2 ZINC001164789264 721464138 /nfs/dbraw/zinc/46/41/38/721464138.db2.gz WDJQFNDKLKNPNF-JOCHJYFZSA-N 1 0 498.693 4.725 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(Cl)cccc3nc1Cl)CC2 ZINC001164791739 721471383 /nfs/dbraw/zinc/47/13/83/721471383.db2.gz YIBUCHCQKAGOJP-GOSISDBHSA-N 1 0 479.452 4.671 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164799356 721579615 /nfs/dbraw/zinc/57/96/15/721579615.db2.gz AZDFUEPYWXJBGJ-RBZQAINGSA-N 1 0 457.603 4.622 20 0 JJADRO Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C ZINC001164811489 721584820 /nfs/dbraw/zinc/58/48/20/721584820.db2.gz XUBIPKIWRIHLOX-HJOGWXRNSA-N 1 0 464.013 4.677 20 0 JJADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810108 721589090 /nfs/dbraw/zinc/58/90/90/721589090.db2.gz UJGKVFZOMJJNGE-SXWKCWPCSA-N 1 0 458.940 4.738 20 0 JJADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907473 721700648 /nfs/dbraw/zinc/70/06/48/721700648.db2.gz UCHREAVVDKGPPO-NRFANRHFSA-N 1 0 479.909 4.961 20 0 JJADRO Fc1ccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164904974 721710172 /nfs/dbraw/zinc/71/01/72/721710172.db2.gz GDKLWQIDHACTJG-AREMUKBSSA-N 1 0 492.549 4.751 20 0 JJADRO FC1(F)CCN(c2nc(Cl)cc(Cc3ccccc3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906125 721716990 /nfs/dbraw/zinc/71/69/90/721716990.db2.gz KBEJYYBZQQVJHY-DEOSSOPVSA-N 1 0 469.967 4.854 20 0 JJADRO FC1(F)CCN(c2nc(Cl)cc(Cc3ccccc3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906126 721717536 /nfs/dbraw/zinc/71/75/36/721717536.db2.gz KBEJYYBZQQVJHY-XMMPIXPASA-N 1 0 469.967 4.854 20 0 JJADRO Fc1cccc(Oc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164908725 721718992 /nfs/dbraw/zinc/71/89/92/721718992.db2.gz YUSCYFLTRUXKPV-HSZRJFAPSA-N 1 0 455.484 4.541 20 0 JJADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905622 721720219 /nfs/dbraw/zinc/72/02/19/721720219.db2.gz IBXYNJYIKHWXPI-GOSISDBHSA-N 1 0 478.321 4.547 20 0 JJADRO FC1(F)CCN(c2ncnc3[nH]c4ccc(Cl)cc4c32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907375 721720445 /nfs/dbraw/zinc/72/04/45/721720445.db2.gz RGSSNWGNEGKOFP-HSZRJFAPSA-N 1 0 468.939 4.897 20 0 JJADRO Fc1cccc(F)c1-c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164913737 721730407 /nfs/dbraw/zinc/73/04/07/721730407.db2.gz XDDRNBMSTBVWPG-QHCPKHFHSA-N 1 0 457.475 4.555 20 0 JJADRO COc1ccc(Cc2c(C)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164910756 721734158 /nfs/dbraw/zinc/73/41/58/721734158.db2.gz HRZYFEGVLACLGC-HHHXNRCGSA-N 1 0 493.602 4.826 20 0 JJADRO COC(=O)c1ccc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc1Cl ZINC001165015233 721766904 /nfs/dbraw/zinc/76/69/04/721766904.db2.gz OKEIBKOLDOMURH-UHFFFAOYSA-N 1 0 458.852 4.578 20 0 JJADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c1 ZINC001165016442 721767790 /nfs/dbraw/zinc/76/77/90/721767790.db2.gz WTMPDYARZXHOSQ-UHFFFAOYSA-N 1 0 458.852 4.578 20 0 JJADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165013971 721767982 /nfs/dbraw/zinc/76/79/82/721767982.db2.gz CHWJQJCKVMPKTI-UHFFFAOYSA-N 1 0 458.852 4.578 20 0 JJADRO CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028545 721802507 /nfs/dbraw/zinc/80/25/07/721802507.db2.gz ZEZRSMUSAIXEIN-XIRDDKMYSA-N 1 0 453.990 4.529 20 0 JJADRO CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028535 721802519 /nfs/dbraw/zinc/80/25/19/721802519.db2.gz ZEZRSMUSAIXEIN-BHYGNILZSA-N 1 0 453.990 4.529 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C[C@@H]21 ZINC001165018708 721806899 /nfs/dbraw/zinc/80/68/99/721806899.db2.gz BZTYFSNRSADTTM-AKIFATBCSA-N 1 0 488.039 4.660 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@@H]21 ZINC001165019789 721809938 /nfs/dbraw/zinc/80/99/38/721809938.db2.gz BUWQWCUYXYCXDO-XWFZLUIHSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@H]21 ZINC001165026770 721826322 /nfs/dbraw/zinc/82/63/22/721826322.db2.gz QCYDLXUVWRGMDS-YFVAEKQCSA-N 1 0 484.982 4.869 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@H]21 ZINC001165030135 721827496 /nfs/dbraw/zinc/82/74/96/721827496.db2.gz XXIUMJTWFAROEX-CEMLEFRQSA-N 1 0 472.618 4.992 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@@H]21 ZINC001165028857 721830133 /nfs/dbraw/zinc/83/01/33/721830133.db2.gz VTDARJAEOLRYCU-NKKJXINNSA-N 1 0 464.013 4.841 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(-c3ccnc(Cl)c3)ccn2)CC1 ZINC001165019243 721839457 /nfs/dbraw/zinc/83/94/57/721839457.db2.gz BEGUOGYZBCGJMA-UHFFFAOYSA-N 1 0 452.986 4.915 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC001165021253 721843580 /nfs/dbraw/zinc/84/35/80/721843580.db2.gz JMKFEQGYQZUJNR-UHFFFAOYSA-N 1 0 469.589 4.810 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(Oc3ccc(F)cc3)n2)CC1 ZINC001165021211 721844224 /nfs/dbraw/zinc/84/42/24/721844224.db2.gz IBGILLOTVPNASX-UHFFFAOYSA-N 1 0 452.530 4.526 20 0 JJADRO COc1ccc(Oc2cc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nc(C)n2)cc1 ZINC001165031129 721844641 /nfs/dbraw/zinc/84/46/41/721844641.db2.gz UJJWYWFABDOOMH-UHFFFAOYSA-N 1 0 478.593 4.704 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C)c(-c3ccccc3F)n2)CC1 ZINC001165031162 721845168 /nfs/dbraw/zinc/84/51/68/721845168.db2.gz VTLOKQBZCBLFOU-UHFFFAOYSA-N 1 0 450.558 4.709 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933508 721879021 /nfs/dbraw/zinc/87/90/21/721879021.db2.gz MKMDVYMTMLRVHK-ZEQRLZLVSA-N 1 0 490.721 4.559 20 0 JJADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164931145 721890236 /nfs/dbraw/zinc/89/02/36/721890236.db2.gz DBYBLFPKFVNCOB-RTBURBONSA-N 1 0 489.920 4.575 20 0 JJADRO c1sc2nc(CN3CCCCC3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC001165036238 721918479 /nfs/dbraw/zinc/91/84/79/721918479.db2.gz AUCLUSDBUPWVQV-JOCHJYFZSA-N 1 0 477.678 4.645 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)ccc4CN4CCCC4)CC3)C2)cc1 ZINC001164940907 721927456 /nfs/dbraw/zinc/92/74/56/721927456.db2.gz WFSHPAMEXBMBCJ-UHFFFAOYSA-N 1 0 455.046 4.511 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc5cc[nH]c5c(Cl)n4)CC3)C2)cc1 ZINC001164940578 721929726 /nfs/dbraw/zinc/92/97/26/721929726.db2.gz UNMGCJXPABUIQU-UHFFFAOYSA-N 1 0 460.956 4.941 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(C(=O)N5CCCCC5)cc4Cl)CC3)C2)cc1 ZINC001164940014 721931186 /nfs/dbraw/zinc/93/11/86/721931186.db2.gz POAQXVZJUCBPHB-UHFFFAOYSA-N 1 0 483.056 4.541 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)CC3)C2)cc1 ZINC001164938673 721931746 /nfs/dbraw/zinc/93/17/46/721931746.db2.gz DGZPNMYFBVQKBQ-UHFFFAOYSA-N 1 0 499.993 4.917 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(-c5ccncc5)nc5sccc54)CC3)C2)cc1 ZINC001164939558 721932749 /nfs/dbraw/zinc/93/27/49/721932749.db2.gz MKGPEMYDCXTCNU-UHFFFAOYSA-N 1 0 471.630 4.933 20 0 JJADRO Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC[NH+](CCc4ccccn4)CC3)c2)cn1 ZINC001165055026 722016040 /nfs/dbraw/zinc/01/60/40/722016040.db2.gz AHGNJUHZXZCYOD-UHFFFAOYSA-N 1 0 464.997 4.597 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955269 722021122 /nfs/dbraw/zinc/02/11/22/722021122.db2.gz CNAYJUOSNLXSFP-UHFFFAOYSA-N 1 0 470.955 4.624 20 0 JJADRO COc1ccc2nc(C(F)(F)N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc(Cl)c2c1 ZINC001164955638 722023020 /nfs/dbraw/zinc/02/30/20/722023020.db2.gz LNTWNTHFODMGGO-UHFFFAOYSA-N 1 0 473.955 4.724 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)nc1 ZINC001164963721 722038705 /nfs/dbraw/zinc/03/87/05/722038705.db2.gz RRFOFNGJYTVEOV-HRYKSYLWSA-N 1 0 466.695 4.901 20 0 JJADRO Cc1ccc(N2C[C@]3(CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C3)CC2=O)s1 ZINC001164964962 722043800 /nfs/dbraw/zinc/04/38/00/722043800.db2.gz WMXKYLITCDHAFB-HHHXNRCGSA-N 1 0 458.631 4.643 20 0 JJADRO O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164977926 722092104 /nfs/dbraw/zinc/09/21/04/722092104.db2.gz IKWRBVAZGFFZTE-LJQANCHMSA-N 1 0 479.015 4.570 20 0 JJADRO c1csc(-c2csc3ncnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c23)c1 ZINC001164979110 722107726 /nfs/dbraw/zinc/10/77/26/722107726.db2.gz HBYAMRQMWIUATM-ICSRJNTNSA-N 1 0 463.632 4.542 20 0 JJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977425 722111453 /nfs/dbraw/zinc/11/14/53/722111453.db2.gz NBOCDJWJWYICLB-DENIHFKCSA-N 1 0 458.940 4.555 20 0 JJADRO c1ccc(-c2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975715 722114428 /nfs/dbraw/zinc/11/44/28/722114428.db2.gz KLRYTBCMXMJADN-RRPNLBNLSA-N 1 0 477.612 4.933 20 0 JJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981179 722126702 /nfs/dbraw/zinc/12/67/02/722126702.db2.gz UCCNWHMXTWSPIS-TZIWHRDSSA-N 1 0 458.940 4.555 20 0 JJADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984228 722133655 /nfs/dbraw/zinc/13/36/55/722133655.db2.gz WOSZHYHGVHAJTD-GCJKJVERSA-N 1 0 458.940 4.555 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164972598 722138645 /nfs/dbraw/zinc/13/86/45/722138645.db2.gz AEOWXQCTLXMBBC-RPLLCQBOSA-N 1 0 465.601 4.728 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)s1 ZINC001164984255 722146062 /nfs/dbraw/zinc/14/60/62/722146062.db2.gz XATMAUYURSOCBL-QPPBQGQZSA-N 1 0 471.630 4.789 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164984953 722147505 /nfs/dbraw/zinc/14/75/05/722147505.db2.gz YLOFOTDLRQEFJS-ZCYQVOJMSA-N 1 0 483.641 4.994 20 0 JJADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164977197 722156430 /nfs/dbraw/zinc/15/64/30/722156430.db2.gz YEVPTYQZNMXSAA-ZJSXRUAMSA-N 1 0 480.012 4.607 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972122 722159035 /nfs/dbraw/zinc/15/90/35/722159035.db2.gz FRXVGZYVRVOGBR-XMSQKQJNSA-N 1 0 474.939 4.662 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164977383 722166160 /nfs/dbraw/zinc/16/61/60/722166160.db2.gz MXGNWOALXVIAJE-URXFXBBRSA-N 1 0 482.015 4.991 20 0 JJADRO CC(=O)N1CC2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)c2cc(C)ccc21 ZINC001164988781 722189869 /nfs/dbraw/zinc/18/98/69/722189869.db2.gz IMMMBDNFXDLPBU-UHFFFAOYSA-N 1 0 486.994 4.870 20 0 JJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c(Cl)nc(Cl)nc42)C3)c1 ZINC001164994937 722196410 /nfs/dbraw/zinc/19/64/10/722196410.db2.gz QXINFQYZOVIXIJ-HXUWFJFHSA-N 1 0 467.763 4.764 20 0 JJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c2ncn4Cc2ccccc2)C3)c1 ZINC001164994260 722196603 /nfs/dbraw/zinc/19/66/03/722196603.db2.gz MFAOZAQEOOXKEL-SANMLTNESA-N 1 0 476.987 4.912 20 0 JJADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995961 722205128 /nfs/dbraw/zinc/20/51/28/722205128.db2.gz QMRCDGSOKQAWGU-HHHXNRCGSA-N 1 0 484.616 4.742 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)CCC2 ZINC001165004953 722257414 /nfs/dbraw/zinc/25/74/14/722257414.db2.gz YLROQFBPFGZHAT-UHFFFAOYSA-N 1 0 493.961 4.771 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)CCC2 ZINC001165004354 722257440 /nfs/dbraw/zinc/25/74/40/722257440.db2.gz QKFKODHSALAWKR-UHFFFAOYSA-N 1 0 493.961 4.771 20 0 JJADRO Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001165004655 722257448 /nfs/dbraw/zinc/25/74/48/722257448.db2.gz UNVPEHZNZJTESJ-UHFFFAOYSA-N 1 0 482.632 4.804 20 0 JJADRO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001359711898 1064260358 /nfs/dbraw/zinc/26/03/58/1064260358.db2.gz XAFUHHUSQOZHSU-UHFFFAOYSA-N 1 0 487.092 4.672 20 0 JJADRO CC(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359712489 1064261079 /nfs/dbraw/zinc/26/10/79/1064261079.db2.gz VCKGXHIVJDSZJD-RBBKRZOGSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)c1nnc(N2CCC[C@H]2Cc2cccs2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001359713058 1064261556 /nfs/dbraw/zinc/26/15/56/1064261556.db2.gz VKDKIHZJSTXCPV-NRFANRHFSA-N 1 0 453.656 4.663 20 0 JJADRO CC(C)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359715577 1064263765 /nfs/dbraw/zinc/26/37/65/1064263765.db2.gz FJWSVIMHDBBPJI-FQEVSTJZSA-N 1 0 460.617 4.661 20 0 JJADRO CC(C)c1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359715741 1064264211 /nfs/dbraw/zinc/26/42/11/1064264211.db2.gz KLIAJKCTTYGZFW-XXBNENTESA-N 1 0 474.644 4.683 20 0 JJADRO CC(C)c1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359715740 1064264354 /nfs/dbraw/zinc/26/43/54/1064264354.db2.gz KLIAJKCTTYGZFW-WMZHIEFXSA-N 1 0 474.644 4.683 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001545855527 1064264540 /nfs/dbraw/zinc/26/45/40/1064264540.db2.gz XHBGHNVYVHLBKW-UPVQGACJSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001545857420 1064265983 /nfs/dbraw/zinc/26/59/83/1064265983.db2.gz WDNLXJHDOOFGAS-UHFFFAOYSA-N 1 0 484.689 4.500 20 0 JJADRO CC(C)c1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001359719270 1064266667 /nfs/dbraw/zinc/26/66/67/1064266667.db2.gz HRPJNCVBBUNYEH-UHFFFAOYSA-N 1 0 489.778 4.987 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359719122 1064266782 /nfs/dbraw/zinc/26/67/82/1064266782.db2.gz CTSNODSJBNIEEJ-NJYVYQBISA-N 1 0 465.564 4.551 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359720110 1064267327 /nfs/dbraw/zinc/26/73/27/1064267327.db2.gz HYVMUIZBEXYJHB-UHFFFAOYSA-N 1 0 467.580 4.949 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359720448 1064268067 /nfs/dbraw/zinc/26/80/67/1064268067.db2.gz SDJCGZWFIKUTRW-JOCHJYFZSA-N 1 0 476.710 4.653 20 0 JJADRO CC(C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC[C@H](C)c1ccccc1 ZINC001359720789 1064268207 /nfs/dbraw/zinc/26/82/07/1064268207.db2.gz DSHOFJLGXMDIAW-RBZQAINGSA-N 1 0 452.691 4.590 20 0 JJADRO CC(C)c1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001359723017 1064269769 /nfs/dbraw/zinc/26/97/69/1064269769.db2.gz IKMIDMBTRNDFKW-OAQYLSRUSA-N 1 0 477.600 4.845 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001545863007 1064271426 /nfs/dbraw/zinc/27/14/26/1064271426.db2.gz ZARVQAKTGLZMKS-UHFFFAOYSA-N 1 0 494.728 4.906 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001359728838 1064277128 /nfs/dbraw/zinc/27/71/28/1064277128.db2.gz MHCSQUZOWDWNGP-QFIPXVFZSA-N 1 0 489.668 4.686 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001545868233 1064278532 /nfs/dbraw/zinc/27/85/32/1064278532.db2.gz NLDPCTQTBJKPOE-DEOSSOPVSA-N 1 0 466.674 4.578 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001545870189 1064282534 /nfs/dbraw/zinc/28/25/34/1064282534.db2.gz IMTREFGGNQMBAQ-VWLOTQADSA-N 1 0 480.701 4.845 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001545870381 1064283976 /nfs/dbraw/zinc/28/39/76/1064283976.db2.gz MUHQYSBLBKKBPE-RDGATRHJSA-N 1 0 498.691 4.840 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)n1CCC1CC[NH+](CC)CC1 ZINC001545870412 1064284073 /nfs/dbraw/zinc/28/40/73/1064284073.db2.gz NHVQRGCYVIEOQU-OFVILXPXSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001545870632 1064285092 /nfs/dbraw/zinc/28/50/92/1064285092.db2.gz SASGIBNYHXQBIG-ISKFKSNPSA-N 1 0 480.701 4.763 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870845 1064286444 /nfs/dbraw/zinc/28/64/44/1064286444.db2.gz YAAUGIXMRGZRQJ-XJUOHMSHSA-N 1 0 498.691 4.698 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001359732495 1064287149 /nfs/dbraw/zinc/28/71/49/1064287149.db2.gz GAJAXDCIHNHRRA-QHCPKHFHSA-N 1 0 497.728 4.874 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001545872190 1064287762 /nfs/dbraw/zinc/28/77/62/1064287762.db2.gz JBGCGSHHLDXAQF-QHCPKHFHSA-N 1 0 486.730 4.762 20 0 JJADRO CC(C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001359732892 1064288253 /nfs/dbraw/zinc/28/82/53/1064288253.db2.gz NBUPDCGJJPISLF-UKILVPOCSA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359732935 1064288458 /nfs/dbraw/zinc/28/84/58/1064288458.db2.gz OAQSUTVBCJXFFW-LJQANCHMSA-N 1 0 477.495 4.935 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001545875715 1064292034 /nfs/dbraw/zinc/29/20/34/1064292034.db2.gz DXKOTUIWDKNWOY-NRFANRHFSA-N 1 0 460.711 4.579 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C1CC(C(C)(C)C)C1 ZINC001545875914 1064293030 /nfs/dbraw/zinc/29/30/30/1064293030.db2.gz KRAUBZOWZNZPAN-UHFFFAOYSA-N 1 0 460.711 4.750 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545877514 1064293553 /nfs/dbraw/zinc/29/35/53/1064293553.db2.gz FAORQEZWDLVWFT-IBGZPJMESA-N 1 0 497.515 4.893 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC001545880357 1064296551 /nfs/dbraw/zinc/29/65/51/1064296551.db2.gz XYZRNFNMQDMJGU-QFBILLFUSA-N 1 0 451.394 4.979 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359737579 1064298617 /nfs/dbraw/zinc/29/86/17/1064298617.db2.gz APDDTJQZKFDPEJ-QHAWAJNXSA-N 1 0 486.661 4.871 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001545884815 1064300945 /nfs/dbraw/zinc/30/09/45/1064300945.db2.gz GDWBGELASIHFNB-FQEVSTJZSA-N 1 0 494.675 4.723 20 0 JJADRO CC(C)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001359738691 1064302424 /nfs/dbraw/zinc/30/24/24/1064302424.db2.gz AZCCROLKYRHKRG-UHFFFAOYSA-N 1 0 477.495 4.793 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001359738830 1064303834 /nfs/dbraw/zinc/30/38/34/1064303834.db2.gz DZILBSOSWLOSJJ-OALUTQOASA-N 1 0 477.495 4.793 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001359739277 1064306673 /nfs/dbraw/zinc/30/66/73/1064306673.db2.gz PEHLQOZSJNZTQQ-HUUCEWRRSA-N 1 0 452.466 4.734 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001359739552 1064307892 /nfs/dbraw/zinc/30/78/92/1064307892.db2.gz XAUHNKKZELQGAO-ZWKOTPCHSA-N 1 0 463.468 4.783 20 0 JJADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880320 1064312253 /nfs/dbraw/zinc/31/22/53/1064312253.db2.gz BBGZRJBPBFTGBJ-GWPNYTADSA-N 1 0 455.643 4.658 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001359745109 1064317877 /nfs/dbraw/zinc/31/78/77/1064317877.db2.gz AHEVUHGPCFWSFX-SFHVURJKSA-N 1 0 466.120 4.755 20 0 JJADRO CCOC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC001434894724 1064323113 /nfs/dbraw/zinc/32/31/13/1064323113.db2.gz RGVZVAQYAVPEBU-UHFFFAOYSA-N 1 0 451.354 4.566 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](C)[NH+](C)C)CCS1 ZINC001359747609 1064329665 /nfs/dbraw/zinc/32/96/65/1064329665.db2.gz FJDKZQKNAFUZDE-WMZHIEFXSA-N 1 0 469.655 4.645 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)[N@H+](C)C2CC2)CCS1 ZINC001359747770 1064331344 /nfs/dbraw/zinc/33/13/44/1064331344.db2.gz IALWZRQDLINLAY-YWZLYKJASA-N 1 0 496.494 4.907 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC001359747911 1064331477 /nfs/dbraw/zinc/33/14/77/1064331477.db2.gz KXYMLWFAFPMAHE-AVRDEDQJSA-N 1 0 464.029 4.863 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC001359749358 1064337183 /nfs/dbraw/zinc/33/71/83/1064337183.db2.gz PFQKWDDSXREWQA-YADHBBJMSA-N 1 0 471.074 4.874 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC001359752435 1064340994 /nfs/dbraw/zinc/34/09/94/1064340994.db2.gz SPZYNJIRQFGZIU-DEOSSOPVSA-N 1 0 453.675 4.762 20 0 JJADRO CCSc1ccc(Cl)cc1C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001434917896 1064344881 /nfs/dbraw/zinc/34/48/81/1064344881.db2.gz CIPMCXBHDWWYBZ-IBGZPJMESA-N 1 0 459.059 4.521 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001359755100 1064347151 /nfs/dbraw/zinc/34/71/51/1064347151.db2.gz SICABQZHFAQYLD-FGZHOGPDSA-N 1 0 490.073 4.736 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC001434921092 1064348933 /nfs/dbraw/zinc/34/89/33/1064348933.db2.gz NVEQKDWQWINTAX-QZDDGCDVSA-N 1 0 455.521 4.939 20 0 JJADRO CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001434921702 1064349732 /nfs/dbraw/zinc/34/97/32/1064349732.db2.gz KRGLZJLTSVMMIV-QFIPXVFZSA-N 1 0 455.624 4.515 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC001434922182 1064350270 /nfs/dbraw/zinc/35/02/70/1064350270.db2.gz RKVCVCLPTQGYJF-HNNXBMFYSA-N 1 0 454.373 4.531 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCS1 ZINC001359755776 1064350891 /nfs/dbraw/zinc/35/08/91/1064350891.db2.gz GKYFCXNVMBPQOT-GSPCLOLRSA-N 1 0 477.763 4.895 20 0 JJADRO CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359762113 1064374399 /nfs/dbraw/zinc/37/43/99/1064374399.db2.gz QEBMQIGVTLUDQM-FYYLOGMGSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1CCSC1)[NH+](C)C ZINC001359764437 1064383880 /nfs/dbraw/zinc/38/38/80/1064383880.db2.gz AZOMAOQHYATLFU-RTBURBONSA-N 1 0 466.493 4.626 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C2CCOCC2)C1)[NH+](C)C ZINC001359764805 1064385219 /nfs/dbraw/zinc/38/52/19/1064385219.db2.gz JRMHXJJKIOHSNX-ODGPQVTHSA-N 1 0 487.664 4.786 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(C1)CCCOC2)[NH+](C)C ZINC001359764869 1064385384 /nfs/dbraw/zinc/38/53/84/1064385384.db2.gz LBDRBYPHYXAVJQ-LZCXECNNSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001359765299 1064387431 /nfs/dbraw/zinc/38/74/31/1064387431.db2.gz ULVNOTUIAFQBMV-VNYTWHDVSA-N 1 0 463.667 4.864 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@@H](C)C1)[NH+](C)C ZINC001359765486 1064387500 /nfs/dbraw/zinc/38/75/00/1064387500.db2.gz XTUOWGTZBIGVBY-JENIJYKNSA-N 1 0 465.484 4.505 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001359765488 1064388149 /nfs/dbraw/zinc/38/81/49/1064388149.db2.gz XTUOWGTZBIGVBY-ZHALLVOQSA-N 1 0 465.484 4.505 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](COc2ccccc2)C1)[NH+](C)C ZINC001359765742 1064389043 /nfs/dbraw/zinc/38/90/43/1064389043.db2.gz AZMAKPZWZJBPDZ-IRLDBZIGSA-N 1 0 483.060 4.875 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359765679 1064389055 /nfs/dbraw/zinc/38/90/55/1064389055.db2.gz AGYJQTGDHMMACP-LEWJYISDSA-N 1 0 496.656 4.771 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001359766059 1064390117 /nfs/dbraw/zinc/39/01/17/1064390117.db2.gz HNLILMQUVNPTPN-ILXRZTDVSA-N 1 0 458.445 4.540 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccccn1)[NH+](C)C ZINC001359766035 1064390178 /nfs/dbraw/zinc/39/01/78/1064390178.db2.gz HFIATRNVQWTZNO-IBGZPJMESA-N 1 0 471.447 4.715 20 0 JJADRO C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434975922 1064391424 /nfs/dbraw/zinc/39/14/24/1064391424.db2.gz CUYJPSASZHGERH-OAHLLOKOSA-N 1 0 458.990 4.845 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC1COC(C)(C)OC1)[NH+](C)C ZINC001359766670 1064393682 /nfs/dbraw/zinc/39/36/82/1064393682.db2.gz RNTZIMRMQPBIEJ-OAQYLSRUSA-N 1 0 469.630 4.503 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](Oc2ccccn2)C1)[NH+](C)C ZINC001359766605 1064393692 /nfs/dbraw/zinc/39/36/92/1064393692.db2.gz QEKCRFOMAGTPLB-PMACEKPBSA-N 1 0 469.033 4.628 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001359766798 1064394580 /nfs/dbraw/zinc/39/45/80/1064394580.db2.gz URDFHZWTPSPMJV-YADARESESA-N 1 0 463.070 4.611 20 0 JJADRO CC(C)COc1ccc(C(C)(C)C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001434978555 1064394673 /nfs/dbraw/zinc/39/46/73/1064394673.db2.gz JWGYJPFOYFHBJB-HXUWFJFHSA-N 1 0 455.618 4.767 20 0 JJADRO C[C@@H](NC(=O)C1(c2c(Cl)cccc2Cl)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434978620 1064394736 /nfs/dbraw/zinc/39/47/36/1064394736.db2.gz KSMDFVMAULSTAQ-OAHLLOKOSA-N 1 0 450.385 4.793 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCCC2=O)CC1)[NH+](C)C ZINC001359767029 1064395277 /nfs/dbraw/zinc/39/52/77/1064395277.db2.gz ZDAGJTNMCWPZQG-NRFANRHFSA-N 1 0 487.092 4.556 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001359767275 1064396072 /nfs/dbraw/zinc/39/60/72/1064396072.db2.gz DONNBPRBFYABRH-FQEVSTJZSA-N 1 0 460.548 4.972 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Br)cc1)[NH+](C)C ZINC001359767256 1064396196 /nfs/dbraw/zinc/39/61/96/1064396196.db2.gz DGZOEWJRDDNMNJ-LJQANCHMSA-N 1 0 459.436 4.648 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+](C)C ZINC001359768134 1064397163 /nfs/dbraw/zinc/39/71/63/1064397163.db2.gz UWWUXZHDPWZWRT-URXFXBBRSA-N 1 0 463.674 4.980 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001359768279 1064397701 /nfs/dbraw/zinc/39/77/01/1064397701.db2.gz XSPDVNDPQCJFLH-DEOSSOPVSA-N 1 0 478.616 4.555 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC=C(C(F)(F)F)CC1)[NH+](C)C ZINC001359768293 1064397709 /nfs/dbraw/zinc/39/77/09/1064397709.db2.gz XZGGYXCVLUDNGV-JOCHJYFZSA-N 1 0 487.574 4.806 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1)[NH+](C)C ZINC001359768440 1064397802 /nfs/dbraw/zinc/39/78/02/1064397802.db2.gz AKYDMOVHXYCLKK-ZXUFVLKRSA-N 1 0 459.704 4.847 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1)[NH+](C)C ZINC001359769149 1064399322 /nfs/dbraw/zinc/39/93/22/1064399322.db2.gz LHSHKDBYTUAAFO-FDFHNCONSA-N 1 0 476.710 4.605 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)[NH+](C)C ZINC001359769655 1064400240 /nfs/dbraw/zinc/40/02/40/1064400240.db2.gz SFAYFRUHXMLGGS-IBGZPJMESA-N 1 0 467.584 4.579 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC001359770215 1064400838 /nfs/dbraw/zinc/40/08/38/1064400838.db2.gz BFDLNUMATZBXQW-NRFANRHFSA-N 1 0 498.050 4.922 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1)[NH+](C)C ZINC001359769850 1064400887 /nfs/dbraw/zinc/40/08/87/1064400887.db2.gz VRLMIUVJKVFYDW-XLCOUGHXSA-N 1 0 494.700 4.553 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1)[NH+](C)C ZINC001359770668 1064402699 /nfs/dbraw/zinc/40/26/99/1064402699.db2.gz JSMHLDLNPDHCPG-HXUWFJFHSA-N 1 0 471.024 4.595 20 0 JJADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CO)(Cc2ccccc2)CC1)[NH+](C)C ZINC001359771286 1064404383 /nfs/dbraw/zinc/40/43/83/1064404383.db2.gz UBUIUZJHLKGIKT-XMMPIXPASA-N 1 0 469.718 4.665 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1)[NH+](C)C ZINC001359771451 1064405125 /nfs/dbraw/zinc/40/51/25/1064405125.db2.gz XNOIRMSDNHXPLJ-PXDATVDWSA-N 1 0 498.716 4.929 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001359771638 1064406165 /nfs/dbraw/zinc/40/61/65/1064406165.db2.gz ALUJUWKIAJBBII-SUMDDJOVSA-N 1 0 472.436 4.934 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC001359771817 1064406766 /nfs/dbraw/zinc/40/67/66/1064406766.db2.gz DWNJOQPHHMBMIA-JTHBVZDNSA-N 1 0 486.064 4.562 20 0 JJADRO CC(C)C[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001359772031 1064407240 /nfs/dbraw/zinc/40/72/40/1064407240.db2.gz IARVWGIGUCOPDI-OAQYLSRUSA-N 1 0 460.464 4.529 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1)[NH+](C)C ZINC001359772518 1064408994 /nfs/dbraw/zinc/40/89/94/1064408994.db2.gz RBIACPPLQRNRCO-UNMCSNQZSA-N 1 0 479.591 4.844 20 0 JJADRO CC(C)C[C@@H](Cn1c(N(C)CCc2ccc(Br)cc2)nnc1C(C)(C)C)[NH+](C)C ZINC001359772836 1064409855 /nfs/dbraw/zinc/40/98/55/1064409855.db2.gz WXGPCQAGYMSGIP-FQEVSTJZSA-N 1 0 464.496 4.993 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1 ZINC001434995960 1064410851 /nfs/dbraw/zinc/41/08/51/1064410851.db2.gz GGUXIIVJMFGDDI-IFMALSPDSA-N 1 0 461.528 4.598 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359774929 1064416539 /nfs/dbraw/zinc/41/65/39/1064416539.db2.gz FJZNFJKKHJYAHT-FZXPRRQPSA-N 1 0 459.704 4.676 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359776002 1064418725 /nfs/dbraw/zinc/41/87/25/1064418725.db2.gz ZOFDSKTYGYXXOW-FCHUYYIVSA-N 1 0 482.673 4.751 20 0 JJADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001359777212 1064420447 /nfs/dbraw/zinc/42/04/47/1064420447.db2.gz DOCGQLNRCFWMHH-PKTZIBPZSA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001359777403 1064421268 /nfs/dbraw/zinc/42/12/68/1064421268.db2.gz JGEUKUAQSLEVTP-PEISPCAHSA-N 1 0 453.675 4.781 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359778133 1064423097 /nfs/dbraw/zinc/42/30/97/1064423097.db2.gz ZQHCCDJWDZJDMC-GSLIJJQTSA-N 1 0 453.675 4.639 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H](C)c2nccs2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001359779590 1064426077 /nfs/dbraw/zinc/42/60/77/1064426077.db2.gz QWIDAMXCKQBRRZ-WOJBJXKFSA-N 1 0 456.660 4.993 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccc(Br)o2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359780517 1064429664 /nfs/dbraw/zinc/42/96/64/1064429664.db2.gz YIJBHLYIXQGHIK-KRWDZBQOSA-N 1 0 452.441 4.591 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cccc(Br)c2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001359781004 1064431558 /nfs/dbraw/zinc/43/15/58/1064431558.db2.gz QIAUOHSNGHLHDN-FQEVSTJZSA-N 1 0 450.469 4.852 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccc(Cl)nc1 ZINC001359783788 1064436072 /nfs/dbraw/zinc/43/60/72/1064436072.db2.gz JUTSLPVIIABJGC-JOCHJYFZSA-N 1 0 453.034 4.532 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1CC[NH+]1CCC(C)CC1 ZINC001359783927 1064436143 /nfs/dbraw/zinc/43/61/43/1064436143.db2.gz NWBBMVQMXPLQHU-AOYPEHQESA-N 1 0 453.675 4.813 20 0 JJADRO CC(C)Cc1nnc(N(Cc2ccco2)Cc2cccs2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001359786832 1064440821 /nfs/dbraw/zinc/44/08/21/1064440821.db2.gz KSIOLUHXCAJXOE-UHFFFAOYSA-N 1 0 471.671 4.573 20 0 JJADRO CC(C)Cc1nnc(N(Cc2ccc(F)cc2F)C2CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359787237 1064442376 /nfs/dbraw/zinc/44/23/76/1064442376.db2.gz XHODEYWTHMZTDF-KDURUIRLSA-N 1 0 475.628 4.812 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001359788956 1064444812 /nfs/dbraw/zinc/44/48/12/1064444812.db2.gz KOXONXFVFSNKAK-GVXSCFBNSA-N 1 0 453.675 4.675 20 0 JJADRO CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359792114 1064449186 /nfs/dbraw/zinc/44/91/86/1064449186.db2.gz HRKWIRMKLQXEIJ-JFYQVNSESA-N 1 0 459.704 4.873 20 0 JJADRO CC(C)Cc1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359791862 1064449370 /nfs/dbraw/zinc/44/93/70/1064449370.db2.gz GZBLNQUOZNPONY-QZTJIDSGSA-N 1 0 460.464 4.880 20 0 JJADRO Cc1cn(CC(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)nc1C(F)(F)F ZINC001435043339 1064459889 /nfs/dbraw/zinc/45/98/89/1064459889.db2.gz SUAYUWZRNZOWRM-UHFFFAOYSA-N 1 0 458.528 4.780 20 0 JJADRO CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359802026 1064469636 /nfs/dbraw/zinc/46/96/36/1064469636.db2.gz GJRMSBCVPWPBFN-HSZRJFAPSA-N 1 0 467.702 4.721 20 0 JJADRO CC(C)Oc1cc(Br)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001435062003 1064479768 /nfs/dbraw/zinc/47/97/68/1064479768.db2.gz BOLBNGUATUMWEG-UHFFFAOYSA-N 1 0 455.343 4.719 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359808366 1064480700 /nfs/dbraw/zinc/48/07/00/1064480700.db2.gz NGKPCDRDPGFEII-JTHBVZDNSA-N 1 0 498.682 4.842 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001435062669 1064480672 /nfs/dbraw/zinc/48/06/72/1064480672.db2.gz HACKKJMGDYIOQW-UHFFFAOYSA-N 1 0 456.512 4.584 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001359808592 1064480875 /nfs/dbraw/zinc/48/08/75/1064480875.db2.gz PTPVXSMKNLAQDS-FQEVSTJZSA-N 1 0 493.622 4.705 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359809267 1064482613 /nfs/dbraw/zinc/48/26/13/1064482613.db2.gz LKSPSWJZVCADRN-UHFFFAOYSA-N 1 0 467.702 4.563 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001435064848 1064484184 /nfs/dbraw/zinc/48/41/84/1064484184.db2.gz NQCSXTWTPJOVSU-UHFFFAOYSA-N 1 0 458.484 4.837 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cn2c(C)csc2n1 ZINC001435064744 1064484195 /nfs/dbraw/zinc/48/41/95/1064484195.db2.gz MSMJAKOAOWCWSA-UHFFFAOYSA-N 1 0 453.439 4.924 20 0 JJADRO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359811128 1064486823 /nfs/dbraw/zinc/48/68/23/1064486823.db2.gz DXYFQYCOMWMPIA-WOJBJXKFSA-N 1 0 462.086 4.536 20 0 JJADRO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001359811618 1064487562 /nfs/dbraw/zinc/48/75/62/1064487562.db2.gz SWVOOZKGYRNOLY-UHFFFAOYSA-N 1 0 462.086 4.824 20 0 JJADRO CC(C)n1ncc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c1Br ZINC001435067640 1064488339 /nfs/dbraw/zinc/48/83/39/1064488339.db2.gz LPLHAHOMVZIBHS-UHFFFAOYSA-N 1 0 453.812 4.618 20 0 JJADRO CC(C)Cc1nnc(N2CCC(N(C)c3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359811796 1064488456 /nfs/dbraw/zinc/48/84/56/1064488456.db2.gz ZJQDWIAHARSTKG-QHCPKHFHSA-N 1 0 452.691 4.704 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001435067988 1064489329 /nfs/dbraw/zinc/48/93/29/1064489329.db2.gz ZNBQHQRTIOSZKY-UHFFFAOYSA-N 1 0 450.892 4.749 20 0 JJADRO CC(C)Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC(C)(C)c1cccc(F)c1 ZINC001359812359 1064489362 /nfs/dbraw/zinc/48/93/62/1064489362.db2.gz LPAVLQIVKSIBRF-UHFFFAOYSA-N 1 0 484.708 4.588 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001359815544 1064496281 /nfs/dbraw/zinc/49/62/81/1064496281.db2.gz OIVGFUCUJLYZEB-AREMUKBSSA-N 1 0 474.093 4.578 20 0 JJADRO CC(C)Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001359815742 1064497045 /nfs/dbraw/zinc/49/70/45/1064497045.db2.gz UADCIYLEJONPDV-IBGZPJMESA-N 1 0 461.601 4.535 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359817461 1064499834 /nfs/dbraw/zinc/49/98/34/1064499834.db2.gz FAYVTQDTZLZTCE-DEOSSOPVSA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1cccc(C(F)F)c1 ZINC001359818859 1064502779 /nfs/dbraw/zinc/50/27/79/1064502779.db2.gz GJJNTEDVRSXVOQ-UHFFFAOYSA-N 1 0 461.601 4.544 20 0 JJADRO CC(C)Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1CC[NH+]1CCCCC1 ZINC001359823686 1064506172 /nfs/dbraw/zinc/50/61/72/1064506172.db2.gz WQTKEAONAPJMKJ-UHFFFAOYSA-N 1 0 482.673 4.872 20 0 JJADRO C[C@H](CNC(=O)c1c(F)ccc(C(F)(F)F)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC001359828334 1064510075 /nfs/dbraw/zinc/51/00/75/1064510075.db2.gz FKPVTRRHLJTSJA-GFCCVEGCSA-N 1 0 459.281 4.784 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001359830045 1064511916 /nfs/dbraw/zinc/51/19/16/1064511916.db2.gz CFLOWXNPEQPOTH-JTHBVZDNSA-N 1 0 488.721 4.577 20 0 JJADRO O=C(N1CCc2ccc(Br)cc21)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001435104922 1064515635 /nfs/dbraw/zinc/51/56/35/1064515635.db2.gz FEFIOLHUDGEIFA-FQEVSTJZSA-N 1 0 453.302 4.793 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001359832706 1064516567 /nfs/dbraw/zinc/51/65/67/1064516567.db2.gz NSBZBFGRKBOLTI-RTWAWAEBSA-N 1 0 489.590 4.836 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359832869 1064517055 /nfs/dbraw/zinc/51/70/55/1064517055.db2.gz PXZMHMMHBCNPIX-HSZRJFAPSA-N 1 0 490.737 4.682 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359833656 1064519547 /nfs/dbraw/zinc/51/95/47/1064519547.db2.gz ZHMFOQSLWLGLNX-OREGWCPLSA-N 1 0 490.737 4.728 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001359835392 1064522356 /nfs/dbraw/zinc/52/23/56/1064522356.db2.gz WDZBSPCZEHMHPG-FGZHOGPDSA-N 1 0 479.591 4.689 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359835370 1064522608 /nfs/dbraw/zinc/52/26/08/1064522608.db2.gz VZOAKVWRDBQTIE-GMAHTHKFSA-N 1 0 488.721 4.767 20 0 JJADRO COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1Br ZINC001435116426 1064524282 /nfs/dbraw/zinc/52/42/82/1064524282.db2.gz OADVFMNVRMMAQY-QZTJIDSGSA-N 1 0 472.408 4.769 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359849055 1064535614 /nfs/dbraw/zinc/53/56/14/1064535614.db2.gz GXVILWVWWPZVES-VXKWHMMOSA-N 1 0 488.671 4.840 20 0 JJADRO CCCCc1ccc(N2C[C@H](C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)CC2=O)cc1 ZINC001359851218 1064538233 /nfs/dbraw/zinc/53/82/33/1064538233.db2.gz HXYQFRDKGRTHOG-JOCHJYFZSA-N 1 0 456.030 4.626 20 0 JJADRO COc1cccc(C(=O)c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)cc2)c1 ZINC001359851562 1064538330 /nfs/dbraw/zinc/53/83/30/1064538330.db2.gz NFNZVLNYKCZFGH-UHFFFAOYSA-N 1 0 450.966 4.784 20 0 JJADRO CC(C)Oc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)ccc1Br ZINC001435137027 1064539161 /nfs/dbraw/zinc/53/91/61/1064539161.db2.gz JURFSYRVPATBEV-UHFFFAOYSA-N 1 0 455.462 4.718 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359852853 1064539943 /nfs/dbraw/zinc/53/99/43/1064539943.db2.gz XSMAOZVVNZACOO-OAQYLSRUSA-N 1 0 459.082 4.577 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001435140387 1064541585 /nfs/dbraw/zinc/54/15/85/1064541585.db2.gz UQDZAQOBDZUEJP-UHFFFAOYSA-N 1 0 458.393 4.880 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001359855157 1064542861 /nfs/dbraw/zinc/54/28/61/1064542861.db2.gz DDPKGKWRDYACRK-UHFFFAOYSA-N 1 0 472.678 4.529 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCO[C@H](C)c1ccccc1 ZINC001359855799 1064543368 /nfs/dbraw/zinc/54/33/68/1064543368.db2.gz SFQGOMBVNWSXEY-DHIUTWEWSA-N 1 0 453.675 4.955 20 0 JJADRO CCOc1nc(C(F)(F)F)ccc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001359859058 1064546546 /nfs/dbraw/zinc/54/65/46/1064546546.db2.gz UYNDLMHWMNOUBW-UHFFFAOYSA-N 1 0 455.908 4.891 20 0 JJADRO CSCc1nc2ccccc2n1CC(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC001435148944 1064549311 /nfs/dbraw/zinc/54/93/11/1064549311.db2.gz OCUZYYDJGNNDKO-UHFFFAOYSA-N 1 0 454.665 4.749 20 0 JJADRO CSc1cccc(N(C(=O)c2sc(N3CCCC3)nc2Cl)C2CC[NH+](C)CC2)c1 ZINC001435149827 1064549692 /nfs/dbraw/zinc/54/96/92/1064549692.db2.gz RSALQCSFZWWMPB-UHFFFAOYSA-N 1 0 451.061 4.860 20 0 JJADRO CCOc1nc(C(F)(F)F)ccc1C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC001435151201 1064551156 /nfs/dbraw/zinc/55/11/56/1064551156.db2.gz ZSVXARLHITXPBT-UHFFFAOYSA-N 1 0 453.530 4.962 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1Cc1nc(C(C)(C)C)cs1 ZINC001359861503 1064552170 /nfs/dbraw/zinc/55/21/70/1064552170.db2.gz XRXRUCHNACPHTN-FQEVSTJZSA-N 1 0 466.699 4.990 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359865447 1064555425 /nfs/dbraw/zinc/55/54/25/1064555425.db2.gz FEVIZZSYKQJROL-AEFFLSMTSA-N 1 0 464.035 4.665 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001359866461 1064557550 /nfs/dbraw/zinc/55/75/50/1064557550.db2.gz RWTSQVJTTOLHCW-XMMPIXPASA-N 1 0 475.628 4.989 20 0 JJADRO C[C@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001435162752 1064558897 /nfs/dbraw/zinc/55/88/97/1064558897.db2.gz HIPZEBCEPXHWJB-SFTDATJTSA-N 1 0 451.611 4.789 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCC[NH+]1CCCCC1 ZINC001359868349 1064560037 /nfs/dbraw/zinc/56/00/37/1064560037.db2.gz JXZJJTKFZOZHEB-QFIPXVFZSA-N 1 0 464.029 4.723 20 0 JJADRO C[C@@H](CNC(=O)c1cccnc1Oc1ccc(Br)cc1)[N@H+](C)Cc1ccccc1 ZINC001435166804 1064562107 /nfs/dbraw/zinc/56/21/07/1064562107.db2.gz SBKZNVCGPAQASG-KRWDZBQOSA-N 1 0 454.368 4.887 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)CC1 ZINC001435176435 1064570015 /nfs/dbraw/zinc/57/00/15/1064570015.db2.gz TYDFUQCDNPYYMO-YKSBVNFPSA-N 1 0 451.611 4.669 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001359881463 1064575627 /nfs/dbraw/zinc/57/56/27/1064575627.db2.gz PVTQHPVOIVMTKP-XXBNENTESA-N 1 0 478.056 4.967 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)C1 ZINC001359882946 1064577166 /nfs/dbraw/zinc/57/71/66/1064577166.db2.gz FFYCXKQIXWGHQI-VXKWHMMOSA-N 1 0 488.721 4.749 20 0 JJADRO CCCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)cc1 ZINC001435190171 1064579414 /nfs/dbraw/zinc/57/94/14/1064579414.db2.gz VFRREDGJUWKXQP-VWLOTQADSA-N 1 0 450.627 4.732 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001359885273 1064580284 /nfs/dbraw/zinc/58/02/84/1064580284.db2.gz YDZCAMOGMAMQRA-JOCHJYFZSA-N 1 0 486.705 4.527 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001359887039 1064583008 /nfs/dbraw/zinc/58/30/08/1064583008.db2.gz RURDIXAMMPJOHC-YADHBBJMSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359889723 1064588472 /nfs/dbraw/zinc/58/84/72/1064588472.db2.gz FLADOSZOKZGNQB-HHHXNRCGSA-N 1 0 453.675 4.835 20 0 JJADRO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1-c1cccc(C(F)(F)F)c1 ZINC001435205983 1064591276 /nfs/dbraw/zinc/59/12/76/1064591276.db2.gz GJGIVOXQAKLFMF-IBGZPJMESA-N 1 0 456.512 4.936 20 0 JJADRO Cc1ccc(-n2ncc(C(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)cc1 ZINC001435207456 1064591863 /nfs/dbraw/zinc/59/18/63/1064591863.db2.gz PUUQSWDMFLGYLE-IBGZPJMESA-N 1 0 456.512 4.936 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001435208011 1064592462 /nfs/dbraw/zinc/59/24/62/1064592462.db2.gz YMDWSDAILWCUGE-ZRBLBEILSA-N 1 0 476.061 4.767 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359891550 1064592481 /nfs/dbraw/zinc/59/24/81/1064592481.db2.gz SVXDVDWUJQHVAU-MHZLTWQESA-N 1 0 464.658 4.647 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001435208517 1064593166 /nfs/dbraw/zinc/59/31/66/1064593166.db2.gz WATBLKXJRJBSRH-HSZRJFAPSA-N 1 0 458.650 4.912 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001359896192 1064598187 /nfs/dbraw/zinc/59/81/87/1064598187.db2.gz NWOFTOVGUUEVDR-FUFSCUOVSA-N 1 0 490.696 4.552 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001359896195 1064598518 /nfs/dbraw/zinc/59/85/18/1064598518.db2.gz NWOFTOVGUUEVDR-PWUYWRBVSA-N 1 0 490.696 4.552 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001545889644 1064606084 /nfs/dbraw/zinc/60/60/84/1064606084.db2.gz CNABIZNBCVTQKZ-PMACEKPBSA-N 1 0 484.664 4.724 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC001359900173 1064608305 /nfs/dbraw/zinc/60/83/05/1064608305.db2.gz OJHVHPVTZKVROE-WNCULLNHSA-N 1 0 455.691 4.864 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC001359900170 1064608419 /nfs/dbraw/zinc/60/84/19/1064608419.db2.gz OJHVHPVTZKVROE-HOFKKMOUSA-N 1 0 455.691 4.864 20 0 JJADRO CC(C)CCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359902668 1064614553 /nfs/dbraw/zinc/61/45/53/1064614553.db2.gz RJKABYWCZZYNOC-UHFFFAOYSA-N 1 0 482.492 4.506 20 0 JJADRO CC(C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359902878 1064616395 /nfs/dbraw/zinc/61/63/95/1064616395.db2.gz WDJIXLXAQJQKHM-UHFFFAOYSA-N 1 0 452.416 4.813 20 0 JJADRO Cc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)nn1-c1cccc(Cl)c1 ZINC001359907159 1064622931 /nfs/dbraw/zinc/62/29/31/1064622931.db2.gz XAJONEWNKAUVCM-UHFFFAOYSA-N 1 0 455.965 4.756 20 0 JJADRO CC(C)CCCn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001359909008 1064626250 /nfs/dbraw/zinc/62/62/50/1064626250.db2.gz QHWQWGYSJHTTTG-XUZZJYLKSA-N 1 0 469.703 4.619 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001359911899 1064629185 /nfs/dbraw/zinc/62/91/85/1064629185.db2.gz YYTZBDDDPVYKOW-UHFFFAOYSA-N 1 0 490.490 4.835 20 0 JJADRO C[NH+](C)CCCN(C(=O)c1cnnn1-c1cccc(F)c1)C(c1ccccc1)c1ccccc1 ZINC001359913501 1064632309 /nfs/dbraw/zinc/63/23/09/1064632309.db2.gz HUHQMZTVUQQVII-UHFFFAOYSA-N 1 0 457.553 4.590 20 0 JJADRO Cc1cc(C(F)(F)F)nn1CC(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001359913424 1064632323 /nfs/dbraw/zinc/63/23/23/1064632323.db2.gz HLVCHWNBAPIJDW-UHFFFAOYSA-N 1 0 458.528 4.780 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCC[NH+]1CCOCC1 ZINC001359914055 1064633117 /nfs/dbraw/zinc/63/31/17/1064633117.db2.gz AYVVZUIRZLHUFA-UHFFFAOYSA-N 1 0 459.704 4.870 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359914977 1064635749 /nfs/dbraw/zinc/63/57/49/1064635749.db2.gz SHGDALIYHLPGPY-KDURUIRLSA-N 1 0 478.479 4.689 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359915488 1064636608 /nfs/dbraw/zinc/63/66/08/1064636608.db2.gz NNNKBSUCAAJNLB-OYRHEFFESA-N 1 0 455.647 4.914 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccs1 ZINC001435260282 1064636692 /nfs/dbraw/zinc/63/66/92/1064636692.db2.gz IOVKKBSMQLXARI-QFQXNSOFSA-N 1 0 450.604 4.905 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001435262171 1064638306 /nfs/dbraw/zinc/63/83/06/1064638306.db2.gz SPLBVIGRMKJFLX-KOSHJBKYSA-N 1 0 457.043 4.946 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359918592 1064641773 /nfs/dbraw/zinc/64/17/73/1064641773.db2.gz KZXVYVLNUWHKJT-XUZZJYLKSA-N 1 0 455.647 4.641 20 0 JJADRO CC(C)CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[N@H+]1CC=CCC1 ZINC001359921952 1064649321 /nfs/dbraw/zinc/64/93/21/1064649321.db2.gz XMSVKCDGCIDKOE-UHFFFAOYSA-N 1 0 452.430 4.908 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001435273827 1064652380 /nfs/dbraw/zinc/65/23/80/1064652380.db2.gz QEGKHRIJULEARY-LJQANCHMSA-N 1 0 454.412 4.844 20 0 JJADRO C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)Oc1cccc(Cl)c1 ZINC001435283459 1064660895 /nfs/dbraw/zinc/66/08/95/1064660895.db2.gz WMJBLDCODLUWIC-ZPMCFJSWSA-N 1 0 456.011 4.596 20 0 JJADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC001435308967 1064683387 /nfs/dbraw/zinc/68/33/87/1064683387.db2.gz SDOMTPVBSHZIQY-IBGZPJMESA-N 1 0 451.792 4.777 20 0 JJADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001435308995 1064683505 /nfs/dbraw/zinc/68/35/05/1064683505.db2.gz FXWCLLLLGJTZTR-ZRBLBEILSA-N 1 0 453.583 4.546 20 0 JJADRO COc1ccc(C(=O)C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)cc1Cl ZINC001435324030 1064697242 /nfs/dbraw/zinc/69/72/42/1064697242.db2.gz KNBGSZYRRYBUDB-UHFFFAOYSA-N 1 0 450.966 4.692 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCC[C@H](Oc3ncccc3F)C2)CC1 ZINC001359947858 1064698679 /nfs/dbraw/zinc/69/86/79/1064698679.db2.gz QADCWARLJPQVQH-QFIPXVFZSA-N 1 0 472.653 4.742 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001359948199 1064699223 /nfs/dbraw/zinc/69/92/23/1064699223.db2.gz JYBYAMJXUSIFAG-HXUWFJFHSA-N 1 0 489.655 4.909 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001359948287 1064699370 /nfs/dbraw/zinc/69/93/70/1064699370.db2.gz UAZYAJCKRSSMIS-IFMALSPDSA-N 1 0 476.710 4.509 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2cnccn2)CC1 ZINC001359948711 1064700665 /nfs/dbraw/zinc/70/06/65/1064700665.db2.gz ZPNNIGKOQJZGOC-UHFFFAOYSA-N 1 0 468.049 4.783 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001359949224 1064702066 /nfs/dbraw/zinc/70/20/66/1064702066.db2.gz ZNAAKNXIBTZRMC-UHFFFAOYSA-N 1 0 478.607 4.801 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3c[nH]c4ccccc34)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001359949149 1064702142 /nfs/dbraw/zinc/70/21/42/1064702142.db2.gz XBOSJQBYXYYWMC-UHFFFAOYSA-N 1 0 493.700 4.535 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001359950138 1064703607 /nfs/dbraw/zinc/70/36/07/1064703607.db2.gz FLHPRRLCUMUTIH-RUZDIDTESA-N 1 0 493.700 4.860 20 0 JJADRO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435336664 1064707399 /nfs/dbraw/zinc/70/73/99/1064707399.db2.gz BLRKBNUKUJSSPL-SBUREZEXSA-N 1 0 456.512 4.840 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001359954264 1064718860 /nfs/dbraw/zinc/71/88/60/1064718860.db2.gz DHSOAWPGPMRDSD-JOCHJYFZSA-N 1 0 469.674 4.717 20 0 JJADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001435358492 1064722704 /nfs/dbraw/zinc/72/27/04/1064722704.db2.gz COECPTVASFSFOL-CYFREDJKSA-N 1 0 457.412 4.731 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3ccccn3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001359955217 1064723928 /nfs/dbraw/zinc/72/39/28/1064723928.db2.gz XPVLKLXGUHWLOW-UHFFFAOYSA-N 1 0 454.663 4.636 20 0 JJADRO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[C@H](C)NC(=O)OC(C)(C)C ZINC001435364838 1064725832 /nfs/dbraw/zinc/72/58/32/1064725832.db2.gz UXCKDZOQPWMABA-MYIHVTGJSA-N 1 0 457.659 4.687 20 0 JJADRO CCc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cnn1-c1ccc(Br)cc1 ZINC001435366682 1064726619 /nfs/dbraw/zinc/72/66/19/1064726619.db2.gz XAZWYIHXBLKERY-UHFFFAOYSA-N 1 0 459.432 4.724 20 0 JJADRO CC(C)CCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359964328 1064738414 /nfs/dbraw/zinc/73/84/14/1064738414.db2.gz RXNLEFPTRUUYMU-UHFFFAOYSA-N 1 0 497.728 4.854 20 0 JJADRO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001359967322 1064742766 /nfs/dbraw/zinc/74/27/66/1064742766.db2.gz PNDSTVITUPUJOA-NOZRDPDXSA-N 1 0 469.674 4.683 20 0 JJADRO COc1ccc(Br)cc1-c1nc(C(=O)N(CC[NH+](C)C)C2CCCC2)cs1 ZINC001435416037 1064746486 /nfs/dbraw/zinc/74/64/86/1064746486.db2.gz NJCGANGEWALXTL-UHFFFAOYSA-N 1 0 452.418 4.528 20 0 JJADRO Cc1cc(-c2cc(C(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)c3c(C)noc3n2)c(C)s1 ZINC001435417885 1064747399 /nfs/dbraw/zinc/74/73/99/1064747399.db2.gz WJCDKJKHZCYUQC-UHFFFAOYSA-N 1 0 452.555 4.877 20 0 JJADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1scc(Br)c1Br ZINC001435423950 1064750449 /nfs/dbraw/zinc/75/04/49/1064750449.db2.gz WJGZXQACZLXCRU-UHFFFAOYSA-N 1 0 452.237 4.539 20 0 JJADRO Cc1cc(I)cc(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC001435426167 1064751256 /nfs/dbraw/zinc/75/12/56/1064751256.db2.gz YTWCCTMIVYVMEO-MRXNPFEDSA-N 1 0 450.364 4.548 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001359973605 1064751565 /nfs/dbraw/zinc/75/15/65/1064751565.db2.gz YRCOBOMTZXBIHJ-UHFFFAOYSA-N 1 0 472.747 4.641 20 0 JJADRO CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001359978208 1064754185 /nfs/dbraw/zinc/75/41/85/1064754185.db2.gz RYBYZZPTMLYFLL-UHFFFAOYSA-N 1 0 496.700 4.543 20 0 JJADRO CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001359982390 1064757611 /nfs/dbraw/zinc/75/76/11/1064757611.db2.gz BSIGTCMOPSSHSD-AGILITTLSA-N 1 0 453.675 4.736 20 0 JJADRO CC(C)CN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccs1)[NH+](C)C)C1CCCC1 ZINC001359982947 1064758856 /nfs/dbraw/zinc/75/88/56/1064758856.db2.gz HGKSKNFPJXYSTR-HXUWFJFHSA-N 1 0 481.670 4.695 20 0 JJADRO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCCC1 ZINC001359983060 1064759162 /nfs/dbraw/zinc/75/91/62/1064759162.db2.gz PLAJIQVXSRLWKJ-VXKWHMMOSA-N 1 0 472.722 4.676 20 0 JJADRO CC(C)CN(c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCCC1)C1CCCC1 ZINC001359984612 1064762144 /nfs/dbraw/zinc/76/21/44/1064762144.db2.gz BCARUWDEDIHYSI-UHFFFAOYSA-N 1 0 463.468 4.547 20 0 JJADRO CC(C)CN(c1nnc(-c2ccccc2Br)n1C[C@@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC001359986637 1064767739 /nfs/dbraw/zinc/76/77/39/1064767739.db2.gz SKUUBTIOBNWQHM-QFIPXVFZSA-N 1 0 492.506 4.935 20 0 JJADRO CC(C)CN(c1nnc([C@H]2CCCOC2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1)C(C)C ZINC001359989539 1064770870 /nfs/dbraw/zinc/77/08/70/1064770870.db2.gz OBQMXZQYERIGSJ-DQEYMECFSA-N 1 0 453.675 4.608 20 0 JJADRO CC(C)CN(c1nnc([C@H]2CCCOC2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(C)C ZINC001359989545 1064770953 /nfs/dbraw/zinc/77/09/53/1064770953.db2.gz OBQMXZQYERIGSJ-RPBOFIJWSA-N 1 0 453.675 4.608 20 0 JJADRO CC(C)CN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1)C1CCCC1 ZINC001359989851 1064771603 /nfs/dbraw/zinc/77/16/03/1064771603.db2.gz QIBUSTXISSLDAM-JOCHJYFZSA-N 1 0 488.721 4.893 20 0 JJADRO CC(C)CN(c1nnc(Cc2ccccn2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1)C(C)C ZINC001359990642 1064772244 /nfs/dbraw/zinc/77/22/44/1064772244.db2.gz OAXUAXGKAREANB-QHCPKHFHSA-N 1 0 450.631 4.955 20 0 JJADRO CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC001359993107 1064776083 /nfs/dbraw/zinc/77/60/83/1064776083.db2.gz NRMKLHIRXSHJGE-NRFANRHFSA-N 1 0 494.709 4.587 20 0 JJADRO COC(=O)[C@@H]1CCC[C@H](C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)C1 ZINC001435473650 1064778645 /nfs/dbraw/zinc/77/86/45/1064778645.db2.gz ZETMLHXBAQVDRC-WAOWUJCRSA-N 1 0 457.442 4.888 20 0 JJADRO CC(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001359995016 1064779202 /nfs/dbraw/zinc/77/92/02/1064779202.db2.gz QGULCZMWIDDPCE-LJQANCHMSA-N 1 0 457.619 4.639 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCC(C)(C)c3cccc(Br)c3)cc2)CC1 ZINC001360005003 1064791713 /nfs/dbraw/zinc/79/17/13/1064791713.db2.gz XFYMHYXPJXOEQA-UHFFFAOYSA-N 1 0 458.444 4.687 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360007184 1064793970 /nfs/dbraw/zinc/79/39/70/1064793970.db2.gz AACNHUUCKSQKCR-NFBKMPQASA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360007236 1064794537 /nfs/dbraw/zinc/79/45/37/1064794537.db2.gz ARADLRBBDIFYKC-OFNKIYASSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCC(OCCc3ccccc3)CC2)C1 ZINC001360008263 1064796487 /nfs/dbraw/zinc/79/64/87/1064796487.db2.gz NTHLQRMMEKXHPA-RUZDIDTESA-N 1 0 467.702 4.998 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)C1 ZINC001360008139 1064796723 /nfs/dbraw/zinc/79/67/23/1064796723.db2.gz LNGGISHUPJAPSE-PQNGQFLHSA-N 1 0 457.638 4.875 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001360008379 1064797202 /nfs/dbraw/zinc/79/72/02/1064797202.db2.gz QAKBIBOIWVCFGD-QZTJIDSGSA-N 1 0 496.519 4.752 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001360008630 1064798439 /nfs/dbraw/zinc/79/84/39/1064798439.db2.gz UVRCZRIHVPRKAR-QHCPKHFHSA-N 1 0 473.109 4.745 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCc2ccccn2)C1 ZINC001360009415 1064798735 /nfs/dbraw/zinc/79/87/35/1064798735.db2.gz AZPJKCQREOUEIC-NRFANRHFSA-N 1 0 482.076 4.826 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360009571 1064799909 /nfs/dbraw/zinc/79/99/09/1064799909.db2.gz CFFRFXKXHAXSMJ-GOTSBHOMSA-N 1 0 474.093 4.753 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001360010011 1064800637 /nfs/dbraw/zinc/80/06/37/1064800637.db2.gz ITUAWYRGCBJIOR-IEBWSBKVSA-N 1 0 496.519 4.610 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N(Cc2cccs2)C(C)C)C1 ZINC001360009997 1064800943 /nfs/dbraw/zinc/80/09/43/1064800943.db2.gz IQWNKWIECHPWMZ-HXUWFJFHSA-N 1 0 455.676 4.523 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C(C)C)C2)C1 ZINC001360010531 1064803001 /nfs/dbraw/zinc/80/30/01/1064803001.db2.gz RFSWKHXUYYLMTO-XXBNENTESA-N 1 0 478.056 4.967 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N(C)CCN(C)c2ccccc2)C1 ZINC001360010681 1064803457 /nfs/dbraw/zinc/80/34/57/1064803457.db2.gz UMEGGVOEERSGEM-QHCPKHFHSA-N 1 0 452.691 4.876 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](COC(C)C)C2)C1 ZINC001360010753 1064804700 /nfs/dbraw/zinc/80/47/00/1064804700.db2.gz VWDSOASSKYROCJ-FGZHOGPDSA-N 1 0 490.092 4.597 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)C2)C1 ZINC001360010868 1064805637 /nfs/dbraw/zinc/80/56/37/1064805637.db2.gz XJWIKCQYDZDLIN-VJBWXMMDSA-N 1 0 488.721 4.607 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001360012231 1064808062 /nfs/dbraw/zinc/80/80/62/1064808062.db2.gz NJKNXNRRIFGEFN-FQEVSTJZSA-N 1 0 473.090 4.983 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360014981 1064813934 /nfs/dbraw/zinc/81/39/34/1064813934.db2.gz LNZBFQWSGZZGON-IDISGSTGSA-N 1 0 487.664 4.667 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C)CCC2)CC1 ZINC001360017109 1064816213 /nfs/dbraw/zinc/81/62/13/1064816213.db2.gz AFRMFGCCHKYEHB-UHFFFAOYSA-N 1 0 464.427 4.815 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(C)(F)F)CC1 ZINC001360017577 1064818738 /nfs/dbraw/zinc/81/87/38/1064818738.db2.gz GLCUHZAXBKPNAN-UHFFFAOYSA-N 1 0 474.369 4.670 20 0 JJADRO CCS[C@@H](C)c1noc(CN(C)C(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)n1 ZINC001435541524 1064819155 /nfs/dbraw/zinc/81/91/55/1064819155.db2.gz ALFZPLVRBXUDBZ-KSSFIOAISA-N 1 0 458.550 4.944 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1ccccc1Br ZINC001360028695 1064829932 /nfs/dbraw/zinc/82/99/32/1064829932.db2.gz QPXBIWSFMRLKOJ-UHFFFAOYSA-N 1 0 457.334 4.991 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC001360032112 1064834334 /nfs/dbraw/zinc/83/43/34/1064834334.db2.gz IRSYGALPJCICOF-UHFFFAOYSA-N 1 0 453.320 4.661 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccccc3F)n2CCc2csc(C(C)C)n2)CC1 ZINC001360033888 1064836868 /nfs/dbraw/zinc/83/68/68/1064836868.db2.gz MQYGLSSWHVQCAJ-UHFFFAOYSA-N 1 0 486.661 4.597 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001360034380 1064837997 /nfs/dbraw/zinc/83/79/97/1064837997.db2.gz UMRJUWCGUWCGEQ-QHCPKHFHSA-N 1 0 480.632 4.609 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(Cl)c2)CC1 ZINC001360034304 1064838202 /nfs/dbraw/zinc/83/82/02/1064838202.db2.gz SJQFOCFGNJUPMT-FGZHOGPDSA-N 1 0 460.066 4.676 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H]2CCSC2)C1 ZINC001360034968 1064838967 /nfs/dbraw/zinc/83/89/67/1064838967.db2.gz IFLMTGSOGSNCIE-XZOQPEGZSA-N 1 0 471.715 4.541 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360034850 1064839020 /nfs/dbraw/zinc/83/90/20/1064839020.db2.gz YFQUOOGOINMSDW-UXHICEINSA-N 1 0 469.527 4.529 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(C)(C)C)C1 ZINC001360035036 1064839982 /nfs/dbraw/zinc/83/99/82/1064839982.db2.gz JDKYRPYXZBOIMO-SFHVURJKSA-N 1 0 496.469 4.686 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cccs2)C1 ZINC001360035722 1064841066 /nfs/dbraw/zinc/84/10/66/1064841066.db2.gz 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CJOZAZSWPYSSMO-PMACEKPBSA-N 1 0 487.645 4.612 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CCc3ccccc3)nnc2N(C)Cc2ccc(Cl)s2)C1 ZINC001360038337 1064849807 /nfs/dbraw/zinc/84/98/07/1064849807.db2.gz DNEJDUZJQUNXIH-OAQYLSRUSA-N 1 0 488.101 4.771 20 0 JJADRO C[C@H]1C[C@@H](CCNC(=O)Cc2noc3ccc(Br)cc32)C[N@@H+]1Cc1ccccc1 ZINC001435585591 1064850232 /nfs/dbraw/zinc/85/02/32/1064850232.db2.gz KGTXJCZYFIAPOM-FUHWJXTLSA-N 1 0 456.384 4.550 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(C(C)C)n2C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC001360038770 1064850316 /nfs/dbraw/zinc/85/03/16/1064850316.db2.gz JMFQTLZDVKMIDF-RUZDIDTESA-N 1 0 496.700 4.617 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(N(C)Cc3ccccc3C(F)(F)F)nnc2C(C)(C)C)C1 ZINC001360038736 1064850501 /nfs/dbraw/zinc/85/05/01/1064850501.db2.gz JFNBAOGNKODOMN-IBGZPJMESA-N 1 0 467.580 4.588 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(N(C)C[C@@H]3CCCO[C@H]3c3ccccc3)nnc2C(C)(C)C)C1 ZINC001360038769 1064850535 /nfs/dbraw/zinc/85/05/35/1064850535.db2.gz 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CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2Cc2cc(Br)cs2)CC1 ZINC001360094643 1064966762 /nfs/dbraw/zinc/96/67/62/1064966762.db2.gz HLWJWRCQKLTHPG-UHFFFAOYSA-N 1 0 491.503 4.713 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(Cl)cc2)CC1 ZINC001360094900 1064967589 /nfs/dbraw/zinc/96/75/89/1064967589.db2.gz PDXHTLXCZGNBFO-UHFFFAOYSA-N 1 0 453.034 4.793 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCSC2)CC1 ZINC001360095239 1064968456 /nfs/dbraw/zinc/96/84/56/1064968456.db2.gz BRQVNRKOGUOIOI-NRFANRHFSA-N 1 0 475.678 4.696 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCc3cccnc32)CC1 ZINC001360095380 1064969457 /nfs/dbraw/zinc/96/94/57/1064969457.db2.gz HJBRMGCWODKKPI-QHCPKHFHSA-N 1 0 452.691 4.938 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001360095880 1064971596 /nfs/dbraw/zinc/97/15/96/1064971596.db2.gz SNQWXUVFGJHHLF-AREMUKBSSA-N 1 0 485.673 4.534 20 0 JJADRO 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CC(C)[N@H+](C)CCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360097578 1064975538 /nfs/dbraw/zinc/97/55/38/1064975538.db2.gz MFFZPXXNQREEPV-UHFFFAOYSA-N 1 0 496.656 4.915 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1OC ZINC001435750924 1064975688 /nfs/dbraw/zinc/97/56/88/1064975688.db2.gz KXJOLHHZGXHNKM-ZWKOTPCHSA-N 1 0 478.420 4.816 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1nccs1 ZINC001360097688 1064976616 /nfs/dbraw/zinc/97/66/16/1064976616.db2.gz PWPLPWLQNYNCIY-UHFFFAOYSA-N 1 0 469.478 4.592 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCN(Cc2cccc(F)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC001435759536 1064979785 /nfs/dbraw/zinc/97/97/85/1064979785.db2.gz WPZJLRXHWRGMCZ-JOCHJYFZSA-N 1 0 451.508 4.572 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001360101226 1064980727 /nfs/dbraw/zinc/98/07/27/1064980727.db2.gz ITPSOWOARRWJFP-XZOQPEGZSA-N 1 0 474.093 4.896 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001360101167 1064980819 /nfs/dbraw/zinc/98/08/19/1064980819.db2.gz HAJOEBGWKLSKFW-SANMLTNESA-N 1 0 497.087 4.598 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@H+](C)C(C)C ZINC001360101108 1064980843 /nfs/dbraw/zinc/98/08/43/1064980843.db2.gz FLMYXWPZDGQUTO-QHCPKHFHSA-N 1 0 469.655 4.997 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001360101089 1064980905 /nfs/dbraw/zinc/98/09/05/1064980905.db2.gz DWXILJWMAWFZNX-UHFFFAOYSA-N 1 0 469.600 4.654 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001360104199 1064984830 /nfs/dbraw/zinc/98/48/30/1064984830.db2.gz MRKKMGVKOIRNBO-HNNXBMFYSA-N 1 0 463.399 4.712 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360104591 1064985692 /nfs/dbraw/zinc/98/56/92/1064985692.db2.gz URGISGOHKBUAIX-UHFFFAOYSA-N 1 0 498.372 4.879 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001360106709 1064987827 /nfs/dbraw/zinc/98/78/27/1064987827.db2.gz NWQRKXZVUVGPCU-UHFFFAOYSA-N 1 0 489.849 4.659 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCSC(C)(C)C1 ZINC001360106564 1064988155 /nfs/dbraw/zinc/98/81/55/1064988155.db2.gz ISERULMAOLLMQE-UHFFFAOYSA-N 1 0 470.456 4.519 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001360109586 1064991426 /nfs/dbraw/zinc/99/14/26/1064991426.db2.gz IBYWQDPIXXHHBS-FCHUYYIVSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360112980 1064994069 /nfs/dbraw/zinc/99/40/69/1064994069.db2.gz PHNITNNNGQTWPW-JOCHJYFZSA-N 1 0 455.622 4.589 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CC2CCCC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001360112997 1064994873 /nfs/dbraw/zinc/99/48/73/1064994873.db2.gz PTELVWOWTIKCGG-UHFFFAOYSA-N 1 0 454.482 4.811 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001360113008 1064995017 /nfs/dbraw/zinc/99/50/17/1064995017.db2.gz QFECNOBHJOQSBH-CTNGQTDRSA-N 1 0 482.456 4.652 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1cccs1 ZINC001360113419 1064995567 /nfs/dbraw/zinc/99/55/67/1064995567.db2.gz AEZWLZRCEGZBHJ-MOPGFXCFSA-N 1 0 476.691 4.949 20 0 JJADRO CC(C)[N@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360113391 1064995642 /nfs/dbraw/zinc/99/56/42/1064995642.db2.gz ZDSMDIBLEVLEDL-UHFFFAOYSA-N 1 0 462.564 4.859 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360113420 1064995820 /nfs/dbraw/zinc/99/58/20/1064995820.db2.gz AEZWLZRCEGZBHJ-OALUTQOASA-N 1 0 476.691 4.949 20 0 JJADRO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360115838 1064998441 /nfs/dbraw/zinc/99/84/41/1064998441.db2.gz LTLOPMVFTNAPHJ-JOCHJYFZSA-N 1 0 457.638 4.991 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001360121899 1065010812 /nfs/dbraw/zinc/01/08/12/1065010812.db2.gz MZJXKZMETWEPSU-KRWDZBQOSA-N 1 0 454.571 4.774 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360122758 1065012323 /nfs/dbraw/zinc/01/23/23/1065012323.db2.gz RCXDMCQQZZHZBD-HSZRJFAPSA-N 1 0 459.660 4.998 20 0 JJADRO CC(C)[NH+](CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC1(C)C)C(C)C ZINC001360123327 1065014411 /nfs/dbraw/zinc/01/44/11/1065014411.db2.gz DXDLAWYYCHWONA-UHFFFAOYSA-N 1 0 475.081 4.749 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@](C)(C(C)(C)C)C1)C(C)C ZINC001360123710 1065014783 /nfs/dbraw/zinc/01/47/83/1065014783.db2.gz LPBRIVQVHBNPTH-MHZLTWQESA-N 1 0 485.673 4.824 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(N)=O)CC1)C(C)C ZINC001360123751 1065015184 /nfs/dbraw/zinc/01/51/84/1065015184.db2.gz MLVPUYSHUBQYJS-UHFFFAOYSA-N 1 0 482.717 4.843 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(F)F)C1)C(C)C ZINC001360124293 1065016696 /nfs/dbraw/zinc/01/66/96/1065016696.db2.gz ZPDJJZOELANEMB-HXUWFJFHSA-N 1 0 477.600 4.707 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C ZINC001360125309 1065017740 /nfs/dbraw/zinc/01/77/40/1065017740.db2.gz FYGFPHPQFLXQCJ-FQEVSTJZSA-N 1 0 479.673 4.975 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Br)cs1)C(C)C ZINC001360125922 1065018818 /nfs/dbraw/zinc/01/88/18/1065018818.db2.gz ZMOJSUNSFVMLTJ-UHFFFAOYSA-N 1 0 494.507 4.648 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCSC1)C(C)C ZINC001360126156 1065019195 /nfs/dbraw/zinc/01/91/95/1065019195.db2.gz IXDQUCHQEUWSIU-PWRODBHTSA-N 1 0 451.725 4.647 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2F)CC1)C(C)C ZINC001360126076 1065019256 /nfs/dbraw/zinc/01/92/56/1065019256.db2.gz GMJHCLWIINVENJ-UHFFFAOYSA-N 1 0 484.689 4.905 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001360125974 1065019337 /nfs/dbraw/zinc/01/93/37/1065019337.db2.gz BODIJZKSZMWYJU-QHCPKHFHSA-N 1 0 485.648 4.529 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC001360126281 1065019677 /nfs/dbraw/zinc/01/96/77/1065019677.db2.gz MNNLENYNFXAPEL-HXUWFJFHSA-N 1 0 491.606 4.804 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2ccsc2)nnc1N1CCC([C@H]2CCOC2)CC1)C(C)C ZINC001360126349 1065019875 /nfs/dbraw/zinc/01/98/75/1065019875.db2.gz OPAVBGCWGIQRMZ-QHCPKHFHSA-N 1 0 459.704 4.692 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)cc1)C(C)C ZINC001435847521 1065021234 /nfs/dbraw/zinc/02/12/34/1065021234.db2.gz GYBJNNAGHHQYJL-UHFFFAOYSA-N 1 0 457.416 4.608 20 0 JJADRO CC(C)[NH+](CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)C1)C(C)C ZINC001360126910 1065021186 /nfs/dbraw/zinc/02/11/86/1065021186.db2.gz YYWKRBCXIFNGKI-UHFFFAOYSA-N 1 0 464.054 4.635 20 0 JJADRO CC(C)[NH+](CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC(C)(C)C1)C(C)C ZINC001360128328 1065022063 /nfs/dbraw/zinc/02/20/63/1065022063.db2.gz GFSCBYVNDSSEQX-UHFFFAOYSA-N 1 0 475.081 4.607 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(F)cn2)CC1)C(C)C ZINC001360128324 1065022121 /nfs/dbraw/zinc/02/21/21/1065022121.db2.gz GELOZTPENNEORG-UHFFFAOYSA-N 1 0 486.039 4.578 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1)C(C)C ZINC001360128253 1065022134 /nfs/dbraw/zinc/02/21/34/1065022134.db2.gz DVKRMZOBYZQFFV-JOCHJYFZSA-N 1 0 460.066 4.849 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nccs2)C1)C(C)C ZINC001360128176 1065022232 /nfs/dbraw/zinc/02/22/32/1065022232.db2.gz CMKFWNZNYIPTEJ-FQEVSTJZSA-N 1 0 475.062 4.752 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCCC1)C(C)C ZINC001360128386 1065022565 /nfs/dbraw/zinc/02/25/65/1065022565.db2.gz HKKNAYVRAICSKV-UHFFFAOYSA-N 1 0 465.484 4.791 20 0 JJADRO CCCN(C(=O)c1nc(Br)c2ccccn21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360128665 1065023119 /nfs/dbraw/zinc/02/31/19/1065023119.db2.gz CEOZYSKTORWFOR-LJQANCHMSA-N 1 0 455.400 4.614 20 0 JJADRO C[C@@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435851360 1065023497 /nfs/dbraw/zinc/02/34/97/1065023497.db2.gz IMGIAMSDBCAWFT-VXGBXAGGSA-N 1 0 451.302 4.990 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2CCC[C@H]21)C(C)C ZINC001360129019 1065024269 /nfs/dbraw/zinc/02/42/69/1065024269.db2.gz QUWXJPHNIYRULU-FXAWDEMLSA-N 1 0 463.468 4.923 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCC(OCc2ccccc2F)CC1)C(C)C ZINC001360129035 1065024295 /nfs/dbraw/zinc/02/42/95/1065024295.db2.gz MHODSDBZMSMWSN-UHFFFAOYSA-N 1 0 482.648 4.727 20 0 JJADRO CCCN(C(=O)c1cc2c(cc1Br)OCO2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360129231 1065024751 /nfs/dbraw/zinc/02/47/51/1065024751.db2.gz HLZOOPDHTWCAOW-GOSISDBHSA-N 1 0 459.384 4.695 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2CCC[C@@H]21)C(C)C ZINC001360129255 1065024808 /nfs/dbraw/zinc/02/48/08/1065024808.db2.gz TWDHAVKIZZEVRM-HKUYNNGSSA-N 1 0 463.468 4.544 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2CCC[C@@H]21)C(C)C ZINC001360129257 1065024860 /nfs/dbraw/zinc/02/48/60/1065024860.db2.gz TWDHAVKIZZEVRM-MJGOQNOKSA-N 1 0 463.468 4.544 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cccs1)C(C)C ZINC001360129533 1065025135 /nfs/dbraw/zinc/02/51/35/1065025135.db2.gz XTLOOGYBJMISMJ-UHFFFAOYSA-N 1 0 479.492 4.895 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CCOCC1)C(C)C ZINC001360129708 1065025688 /nfs/dbraw/zinc/02/56/88/1065025688.db2.gz ZEAWYKQWVIEVMY-UHFFFAOYSA-N 1 0 484.508 4.751 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccccn1)C(C)C ZINC001360129856 1065025851 /nfs/dbraw/zinc/02/58/51/1065025851.db2.gz WRQAZKOQJWSQAQ-UHFFFAOYSA-N 1 0 459.598 4.750 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C(C)C ZINC001360131634 1065026727 /nfs/dbraw/zinc/02/67/27/1065026727.db2.gz BPWNDQQCOAIROI-WOJBJXKFSA-N 1 0 497.610 4.695 20 0 JJADRO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1 ZINC001435855804 1065027192 /nfs/dbraw/zinc/02/71/92/1065027192.db2.gz PHXICKXWGYHDMV-NRYAXDJKSA-N 1 0 458.549 4.817 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1)C(C)C ZINC001360132044 1065027193 /nfs/dbraw/zinc/02/71/93/1065027193.db2.gz FRYRPMWELXQMOS-CYXNTTPDSA-N 1 0 483.701 4.895 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1)C(C)C ZINC001360132997 1065028135 /nfs/dbraw/zinc/02/81/35/1065028135.db2.gz NFIUKCDLGHYAJC-UHFFFAOYSA-N 1 0 455.544 4.906 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC001435857369 1065028136 /nfs/dbraw/zinc/02/81/36/1065028136.db2.gz NWJCZLAXOWDGSJ-ILBGXUMGSA-N 1 0 470.057 4.905 20 0 JJADRO CC(C)[NH+](CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)o1)C(C)C ZINC001360133294 1065028306 /nfs/dbraw/zinc/02/83/06/1065028306.db2.gz QWXWLZNCGGEIEG-UHFFFAOYSA-N 1 0 454.457 4.977 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1)C(C)C ZINC001360133564 1065029079 /nfs/dbraw/zinc/02/90/79/1065029079.db2.gz UZBJGUDRUMONCX-UHFFFAOYSA-N 1 0 459.013 4.812 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1)C(C)C ZINC001360133533 1065029228 /nfs/dbraw/zinc/02/92/28/1065029228.db2.gz UNDVOTHSVVKACO-FGZHOGPDSA-N 1 0 489.655 4.909 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1)C(C)C ZINC001360133535 1065029336 /nfs/dbraw/zinc/02/93/36/1065029336.db2.gz UNDVOTHSVVKACO-YADHBBJMSA-N 1 0 489.655 4.909 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C(C)C ZINC001360134100 1065030039 /nfs/dbraw/zinc/03/00/39/1065030039.db2.gz DHZBCNHCFZSBNS-JOCHJYFZSA-N 1 0 487.636 4.579 20 0 JJADRO O=C(NCCc1ccc(Br)cc1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001360134090 1065030051 /nfs/dbraw/zinc/03/00/51/1065030051.db2.gz JGWDLYFXOURWGC-HXUWFJFHSA-N 1 0 455.318 4.562 20 0 JJADRO CC(C)[NH+](CCn1c(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)nnc1C(C)(C)C)C(C)C ZINC001360134227 1065030097 /nfs/dbraw/zinc/03/00/97/1065030097.db2.gz IFTMDKCRQITHSN-NRFANRHFSA-N 1 0 479.616 4.874 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CC2)nnc1N1CCc2cc(Br)ccc2C1)C(C)C ZINC001360134694 1065030546 /nfs/dbraw/zinc/03/05/46/1065030546.db2.gz MXQWZFDDUAVRFP-UHFFFAOYSA-N 1 0 460.464 4.675 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccccc2F)C1)C(C)C ZINC001360134331 1065030602 /nfs/dbraw/zinc/03/06/02/1065030602.db2.gz JUHHEEAXKBEPRS-XMMPIXPASA-N 1 0 457.638 4.847 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccncc2)nnc1N1Cc2ccc(Br)cc2C1)C(C)C ZINC001360134343 1065030775 /nfs/dbraw/zinc/03/07/75/1065030775.db2.gz JZBDZZSYRZLEFC-UHFFFAOYSA-N 1 0 483.458 4.665 20 0 JJADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1)C(C)C ZINC001360134734 1065031217 /nfs/dbraw/zinc/03/12/17/1065031217.db2.gz NTNJZQNISOVZSK-UHFFFAOYSA-N 1 0 486.730 4.544 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F)C(C)C ZINC001360135025 1065031240 /nfs/dbraw/zinc/03/12/40/1065031240.db2.gz QQVPACBDXUVHBK-SFHVURJKSA-N 1 0 472.625 4.560 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCC2)C1)C(C)C ZINC001360135483 1065032013 /nfs/dbraw/zinc/03/20/13/1065032013.db2.gz XAKRAFOESUTLMH-NRFANRHFSA-N 1 0 474.694 4.849 20 0 JJADRO COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c(OCCC(C)C)c1 ZINC001435864907 1065032025 /nfs/dbraw/zinc/03/20/25/1065032025.db2.gz HFMANNVQIJBEMC-DQEYMECFSA-N 1 0 459.675 4.529 20 0 JJADRO CN(C(=O)CCCOc1cccc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435865652 1065033324 /nfs/dbraw/zinc/03/33/24/1065033324.db2.gz NVQPXGOPUIOYPV-CLJLJLNGSA-N 1 0 451.655 4.794 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccccn2)C1 ZINC001360138728 1065034572 /nfs/dbraw/zinc/03/45/72/1065034572.db2.gz JVNDXQQLZWASBL-IBGZPJMESA-N 1 0 483.458 4.859 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CC=CCC2)C1 ZINC001360139146 1065035547 /nfs/dbraw/zinc/03/55/47/1065035547.db2.gz NWJJQLHZDFBAHZ-DHIUTWEWSA-N 1 0 499.103 4.774 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)CC(F)(F)F)C1 ZINC001360138881 1065035739 /nfs/dbraw/zinc/03/57/39/1065035739.db2.gz LHAZENBIGUXENY-ZDUSSCGKSA-N 1 0 480.398 4.888 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001360139424 1065036183 /nfs/dbraw/zinc/03/61/83/1065036183.db2.gz QZLVSPJOVFEOFN-FGTMMUONSA-N 1 0 467.008 4.841 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC(OC(C)(C)C)CC2)C1 ZINC001360140257 1065036814 /nfs/dbraw/zinc/03/68/14/1065036814.db2.gz AXBGFJKHEPYZPA-OAQYLSRUSA-N 1 0 487.664 4.901 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001360140371 1065037360 /nfs/dbraw/zinc/03/73/60/1065037360.db2.gz CLBNZHKAFRUBHF-QFIPXVFZSA-N 1 0 467.061 4.869 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001360140705 1065038742 /nfs/dbraw/zinc/03/87/42/1065038742.db2.gz IZOJLGYBKPUWIG-TZIWHRDSSA-N 1 0 460.066 4.646 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001360140863 1065038930 /nfs/dbraw/zinc/03/89/30/1065038930.db2.gz JVARWGCRUAIJNA-LJQANCHMSA-N 1 0 487.023 4.801 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001360141083 1065039464 /nfs/dbraw/zinc/03/94/64/1065039464.db2.gz MAYDFRHWEPOKRR-JIPXPUAJSA-N 1 0 471.665 4.770 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@@H]2C)C1 ZINC001360141585 1065040102 /nfs/dbraw/zinc/04/01/02/1065040102.db2.gz QMSYJKPFRXXNOA-OALUTQOASA-N 1 0 464.079 4.573 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)C1 ZINC001360141421 1065040173 /nfs/dbraw/zinc/04/01/73/1065040173.db2.gz OXNFPARWOMXBOH-QWFCFKBJSA-N 1 0 467.555 4.763 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@H]2C)C1 ZINC001360141584 1065040460 /nfs/dbraw/zinc/04/04/60/1065040460.db2.gz QMSYJKPFRXXNOA-MOPGFXCFSA-N 1 0 464.079 4.573 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001360141737 1065041357 /nfs/dbraw/zinc/04/13/57/1065041357.db2.gz RRLBSJIEIFIBAT-JTHBVZDNSA-N 1 0 469.674 4.500 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360142191 1065041680 /nfs/dbraw/zinc/04/16/80/1065041680.db2.gz UXPOFYACCWMFBV-VXKWHMMOSA-N 1 0 460.066 4.506 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001360141965 1065041858 /nfs/dbraw/zinc/04/18/58/1065041858.db2.gz UDIDEKLSQNKZIF-CVDCTZTESA-N 1 0 499.647 4.581 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)C1 ZINC001360142441 1065042506 /nfs/dbraw/zinc/04/25/06/1065042506.db2.gz WJWGSLZZQJXKGS-QHCPKHFHSA-N 1 0 467.061 4.717 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(F)ccc3F)CC2)C1 ZINC001360142513 1065043223 /nfs/dbraw/zinc/04/32/23/1065043223.db2.gz XYZOVUXEXJKUPB-HXUWFJFHSA-N 1 0 474.644 4.592 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3c[nH]c4ccccc43)n2CCSC(F)(F)F)CC1 ZINC001360144656 1065046751 /nfs/dbraw/zinc/04/67/51/1065046751.db2.gz RFNJSJVSBSOKRK-UHFFFAOYSA-N 1 0 452.550 4.600 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CCCc2nc3c(s2)CCCC3)CC1 ZINC001360146523 1065048838 /nfs/dbraw/zinc/04/88/38/1065048838.db2.gz NWCFEXKZSOSBNK-UHFFFAOYSA-N 1 0 458.720 4.755 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccsc2Br)CC1 ZINC001360147006 1065049549 /nfs/dbraw/zinc/04/95/49/1065049549.db2.gz DOOXLGZLDKRYCU-UHFFFAOYSA-N 1 0 480.501 4.723 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001360149289 1065052406 /nfs/dbraw/zinc/05/24/06/1065052406.db2.gz JETZKGTXWDHYBA-IBGZPJMESA-N 1 0 496.881 4.707 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001360149210 1065052611 /nfs/dbraw/zinc/05/26/11/1065052611.db2.gz FYEOVUGOHRXAES-UHFFFAOYSA-N 1 0 498.672 4.505 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001360149658 1065053138 /nfs/dbraw/zinc/05/31/38/1065053138.db2.gz XZWKSIDJZMLDGV-UHFFFAOYSA-N 1 0 460.960 4.684 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360149720 1065053798 /nfs/dbraw/zinc/05/37/98/1065053798.db2.gz ZURSOWXTBBURMZ-QGZVFWFLSA-N 1 0 495.043 4.523 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C)CCCC2)CC1 ZINC001360149917 1065053960 /nfs/dbraw/zinc/05/39/60/1065053960.db2.gz IVAAEVOOWXUYBY-UHFFFAOYSA-N 1 0 464.427 4.957 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@@H](C)C1 ZINC001360150599 1065054389 /nfs/dbraw/zinc/05/43/89/1065054389.db2.gz HASMUDJKJKKEIQ-RDJZCZTQSA-N 1 0 457.562 4.501 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(Br)c3)CCCC2)[C@H](C)C1 ZINC001360150463 1065054456 /nfs/dbraw/zinc/05/44/56/1065054456.db2.gz CPGFMFYLUZFIIS-NQIIRXRSSA-N 1 0 451.449 4.514 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(Br)c3)CCCC2)[C@H](C)C1 ZINC001360150465 1065054563 /nfs/dbraw/zinc/05/45/63/1065054563.db2.gz CPGFMFYLUZFIIS-WIYYLYMNSA-N 1 0 451.449 4.514 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001360153536 1065056528 /nfs/dbraw/zinc/05/65/28/1065056528.db2.gz YNPPPOANWIVYQU-QGZVFWFLSA-N 1 0 498.416 4.585 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360155770 1065057168 /nfs/dbraw/zinc/05/71/68/1065057168.db2.gz GWENWUUTIRFSFF-VAMGGRTRSA-N 1 0 453.622 4.553 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(C(C)(C)C)n3Cc3cscc3C(F)(F)F)CC2)CC1 ZINC001360155779 1065057498 /nfs/dbraw/zinc/05/74/98/1065057498.db2.gz GZNRKZIALLLDOV-UHFFFAOYSA-N 1 0 498.663 4.699 20 0 JJADRO CSc1cccc(N(C(=O)c2cnn3cccc(Br)c23)C2CC[NH+](C)CC2)c1 ZINC001360191825 1065075874 /nfs/dbraw/zinc/07/58/74/1065075874.db2.gz JVOZBTFPGGOYHT-UHFFFAOYSA-N 1 0 459.413 4.560 20 0 JJADRO CSc1cccc(N(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C2CC[NH+](C)CC2)c1 ZINC001360192834 1065076408 /nfs/dbraw/zinc/07/64/08/1065076408.db2.gz ZIYFZUYKGFTMNR-UHFFFAOYSA-N 1 0 458.027 4.930 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001545894477 1065081614 /nfs/dbraw/zinc/08/16/14/1065081614.db2.gz XIOCGDCHJUILEV-VWNXMTODSA-N 1 0 468.690 4.680 20 0 JJADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1oc2ccccc2c1CSc1ccccc1F ZINC001435969070 1065086204 /nfs/dbraw/zinc/08/62/04/1065086204.db2.gz WLZAHTVDUQSKOK-SFHVURJKSA-N 1 0 455.599 4.620 20 0 JJADRO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001360233085 1065092748 /nfs/dbraw/zinc/09/27/48/1065092748.db2.gz DRYMVVPOJUMIOA-QGZVFWFLSA-N 1 0 452.599 4.809 20 0 JJADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC001435995437 1065098635 /nfs/dbraw/zinc/09/86/35/1065098635.db2.gz RNYDSNQVOUMXBR-RUZDIDTESA-N 1 0 456.590 4.800 20 0 JJADRO COc1ccc(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1Br ZINC001436014099 1065112263 /nfs/dbraw/zinc/11/22/63/1065112263.db2.gz DCPXTSUCPISCCX-QFIPXVFZSA-N 1 0 459.428 4.807 20 0 JJADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@H+](C)C1CCCC1 ZINC001360274532 1065115136 /nfs/dbraw/zinc/11/51/36/1065115136.db2.gz MAFRITOJYHYYEV-UHFFFAOYSA-N 1 0 498.672 4.648 20 0 JJADRO C[C@H](CNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)[N@H+](C)Cc1ccccc1 ZINC001360281902 1065122833 /nfs/dbraw/zinc/12/28/33/1065122833.db2.gz MTOQVVSBRLUCEK-HXUWFJFHSA-N 1 0 455.558 4.864 20 0 JJADRO CC(C)N1C(=O)C[C@H](C(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001360284847 1065124191 /nfs/dbraw/zinc/12/41/91/1065124191.db2.gz NFMMPUIPGFUKFC-CVDCTZTESA-N 1 0 452.014 4.550 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCC2CCOCC2)CC1 ZINC001360304906 1065138611 /nfs/dbraw/zinc/13/86/11/1065138611.db2.gz GMFNRGYILZNTEQ-UHFFFAOYSA-N 1 0 496.519 4.943 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(C3CCC3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001360306405 1065141990 /nfs/dbraw/zinc/14/19/90/1065141990.db2.gz DGACWPMDJDPVKU-UHFFFAOYSA-N 1 0 468.646 4.908 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCSC(F)(F)F)CC1 ZINC001360307167 1065142667 /nfs/dbraw/zinc/14/26/67/1065142667.db2.gz RDBHYNZKBLRWQE-UHFFFAOYSA-N 1 0 466.577 4.657 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001360309633 1065146025 /nfs/dbraw/zinc/14/60/25/1065146025.db2.gz IDROHUQUEBFKNW-VXKWHMMOSA-N 1 0 483.701 4.794 20 0 JJADRO Cc1nc(CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)oc1-c1ccc(Br)cc1 ZINC001360310574 1065147878 /nfs/dbraw/zinc/14/78/78/1065147878.db2.gz GCTKTUNWDYCOHF-SFHVURJKSA-N 1 0 450.421 4.828 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC001360314193 1065149398 /nfs/dbraw/zinc/14/93/98/1065149398.db2.gz BFKGGJRQDWZKDP-QGZVFWFLSA-N 1 0 453.384 4.590 20 0 JJADRO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1nc(C(F)(F)F)cs1 ZINC001436056773 1065149355 /nfs/dbraw/zinc/14/93/55/1065149355.db2.gz SSJVUGDFWVUBAJ-SJCJKPOMSA-N 1 0 451.436 4.794 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001360320323 1065156308 /nfs/dbraw/zinc/15/63/08/1065156308.db2.gz WSIVCKCNNBEGSY-IDISGSTGSA-N 1 0 487.664 4.920 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)C3CCCCC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCOC1 ZINC001360320872 1065157807 /nfs/dbraw/zinc/15/78/07/1065157807.db2.gz GZCILCYOSYUBEK-GJZUVCINSA-N 1 0 461.695 4.742 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2CC(C)(C)C[NH+]2CCCC2)CCOC1 ZINC001360324758 1065164894 /nfs/dbraw/zinc/16/48/94/1065164894.db2.gz RQYFOPJVEGQRKE-SANMLTNESA-N 1 0 490.092 4.731 20 0 JJADRO Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC001360328006 1065170718 /nfs/dbraw/zinc/17/07/18/1065170718.db2.gz XAJJUZFMEADENR-FYYLOGMGSA-N 1 0 453.602 4.786 20 0 JJADRO C[C@]1(CNC(=O)COc2ccc(Br)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001436094433 1065176356 /nfs/dbraw/zinc/17/63/56/1065176356.db2.gz AZRVTVMYYUALFF-OAQYLSRUSA-N 1 0 451.792 4.510 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCC(C(C)C)CC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001360335567 1065182747 /nfs/dbraw/zinc/18/27/47/1065182747.db2.gz GITJAEDODRVGHB-FIPFOOKPSA-N 1 0 483.701 4.712 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@H](C)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)CCOC1 ZINC001360336785 1065185578 /nfs/dbraw/zinc/18/55/78/1065185578.db2.gz YALKWIFECNMNCZ-SXDGJLEOSA-N 1 0 483.701 4.690 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCc4ccc(F)cc4C3)n2CCC[NH+](C(C)C)C(C)C)CCOC1 ZINC001360340274 1065189038 /nfs/dbraw/zinc/18/90/38/1065189038.db2.gz BWKJBROBWXGMFA-MHZLTWQESA-N 1 0 487.664 4.529 20 0 JJADRO O=C(CCc1nc2cc(Br)ccc2s1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001436114033 1065189059 /nfs/dbraw/zinc/18/90/59/1065189059.db2.gz VXPNCTDMEZUIBK-KRWDZBQOSA-N 1 0 458.425 4.630 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360352667 1065200443 /nfs/dbraw/zinc/20/04/43/1065200443.db2.gz VIYGFRSJPJLXRA-GFMPLVLUSA-N 1 0 497.675 4.557 20 0 JJADRO CCc1c(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cnn1-c1ccccc1Cl ZINC001436137080 1065208133 /nfs/dbraw/zinc/20/81/33/1065208133.db2.gz WVGBKCSOLQFQDS-UHFFFAOYSA-N 1 0 452.002 4.629 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc[nH]3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001360360221 1065213263 /nfs/dbraw/zinc/21/32/63/1065213263.db2.gz QQSSUQQZHZYOTG-UHFFFAOYSA-N 1 0 450.631 4.961 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001360360425 1065214529 /nfs/dbraw/zinc/21/45/29/1065214529.db2.gz UGJKPZSKBXQDCA-LJQANCHMSA-N 1 0 469.033 4.901 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001360363917 1065220447 /nfs/dbraw/zinc/22/04/47/1065220447.db2.gz GGQSACGJVCDZBX-UHFFFAOYSA-N 1 0 471.646 4.577 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001360364148 1065220946 /nfs/dbraw/zinc/22/09/46/1065220946.db2.gz JWFSTRCCOKTWKO-OAQYLSRUSA-N 1 0 464.658 4.807 20 0 JJADRO CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001436164578 1065224539 /nfs/dbraw/zinc/22/45/39/1065224539.db2.gz LULPRBVOOMOVET-VWLOTQADSA-N 1 0 451.611 4.792 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC001436177713 1065230730 /nfs/dbraw/zinc/23/07/30/1065230730.db2.gz USSPFVIPJCYJAQ-UHFFFAOYSA-N 1 0 452.473 4.530 20 0 JJADRO CC(C)OCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001360377165 1065238037 /nfs/dbraw/zinc/23/80/37/1065238037.db2.gz ZGCMZROYYUHGTJ-IAGOWNOFSA-N 1 0 482.492 4.647 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2ccc3cc(OC)c(OC)cc3c2)c1 ZINC001436194335 1065242223 /nfs/dbraw/zinc/24/22/23/1065242223.db2.gz DOYAJJSZFGUBNX-UHFFFAOYSA-N 1 0 450.535 4.608 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2cccc(Br)c2Cl)c1 ZINC001436194349 1065242835 /nfs/dbraw/zinc/24/28/35/1065242835.db2.gz DZNFPFPKSNVJHC-UHFFFAOYSA-N 1 0 453.764 4.853 20 0 JJADRO CC(C)OCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001360383343 1065245706 /nfs/dbraw/zinc/24/57/06/1065245706.db2.gz QKZBHFZPJYYYGH-RBBKRZOGSA-N 1 0 476.065 4.951 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001360384028 1065246985 /nfs/dbraw/zinc/24/69/85/1065246985.db2.gz LIAYRLMVZZKXJY-KKUQBAQOSA-N 1 0 477.649 4.726 20 0 JJADRO O=C(Nc1nc(-c2ccc(Br)cn2)cs1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001436205739 1065250590 /nfs/dbraw/zinc/25/05/90/1065250590.db2.gz OJAJWVCGYIQWHX-INIZCTEOSA-N 1 0 457.397 4.818 20 0 JJADRO C/C(=C/C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387223 1065252236 /nfs/dbraw/zinc/25/22/36/1065252236.db2.gz DATARZNEMVHLCK-UZOYXQLSSA-N 1 0 459.512 4.914 20 0 JJADRO CC(C)OCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001360394414 1065258427 /nfs/dbraw/zinc/25/84/27/1065258427.db2.gz SPRAGGDYUNXXIL-UHFFFAOYSA-N 1 0 482.456 4.654 20 0 JJADRO COc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)cc(Cl)cc1C(=O)N(C)C ZINC001436217581 1065259080 /nfs/dbraw/zinc/25/90/80/1065259080.db2.gz KUKUCUHHEUFZMT-DENIHFKCSA-N 1 0 472.029 4.783 20 0 JJADRO CSc1cccc(N(C(=O)c2nc(Br)c3ccccn32)C2CC[NH+](C)CC2)c1 ZINC001360408133 1065270848 /nfs/dbraw/zinc/27/08/48/1065270848.db2.gz HVZVXYGWWOJLSK-UHFFFAOYSA-N 1 0 459.413 4.560 20 0 JJADRO CSc1cccc(N(C(=O)CCCNC(=O)OCc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC001360408129 1065271056 /nfs/dbraw/zinc/27/10/56/1065271056.db2.gz HSKRUPOYSNPKIT-UHFFFAOYSA-N 1 0 455.624 4.542 20 0 JJADRO CSc1cccc(N(C(=O)CCOc2ccc(CCC(C)=O)cc2)C2CC[NH+](C)CC2)c1 ZINC001360408773 1065272095 /nfs/dbraw/zinc/27/20/95/1065272095.db2.gz SPCPJRQGRHELMY-UHFFFAOYSA-N 1 0 454.636 4.826 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2CC(C)(C)C2)CC1 ZINC001360409318 1065272313 /nfs/dbraw/zinc/27/23/13/1065272313.db2.gz DFCXXXORMPIXRH-UHFFFAOYSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C2(CCCCC2)C1 ZINC001360413617 1065276405 /nfs/dbraw/zinc/27/64/05/1065276405.db2.gz BZPOFFRNXZZOBW-UHFFFAOYSA-N 1 0 455.643 4.681 20 0 JJADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC001436257515 1065277339 /nfs/dbraw/zinc/27/73/39/1065277339.db2.gz QALVWIVVYBXYNK-LXGCGDOSSA-N 1 0 456.375 4.744 20 0 JJADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(C(F)F)cc1F ZINC001436258326 1065277949 /nfs/dbraw/zinc/27/79/49/1065277949.db2.gz ZKXOVEQYDNQRNW-LBPRGKRZSA-N 1 0 456.306 4.918 20 0 JJADRO Cc1nc(C(C)C)sc1C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC001436259408 1065278697 /nfs/dbraw/zinc/27/86/97/1065278697.db2.gz SCISIVBXMUWAHD-ZDUSSCGKSA-N 1 0 451.434 4.730 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545896538 1065280650 /nfs/dbraw/zinc/28/06/50/1065280650.db2.gz VBGBEDXFUUMMSW-NZQKXSOJSA-N 1 0 458.695 4.620 20 0 JJADRO CC(C)SCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001360417450 1065281467 /nfs/dbraw/zinc/28/14/67/1065281467.db2.gz WLDHPQBFCGZTOR-QGZVFWFLSA-N 1 0 482.467 4.663 20 0 JJADRO CC(C)SCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001360417522 1065281693 /nfs/dbraw/zinc/28/16/93/1065281693.db2.gz XXFYOPKKDWOVDH-UHFFFAOYSA-N 1 0 495.741 4.830 20 0 JJADRO C[C@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001436279435 1065285260 /nfs/dbraw/zinc/28/52/60/1065285260.db2.gz MBCNRNBSORHJRH-HXUWFJFHSA-N 1 0 459.428 4.979 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)C3(Sc4ccccc4)CCCC3)CC2)cc1 ZINC001436317219 1065295701 /nfs/dbraw/zinc/29/57/01/1065295701.db2.gz RFILXJWMARUXRI-UHFFFAOYSA-N 1 0 451.636 4.831 20 0 JJADRO COC(=O)Nc1cc(C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC001436338541 1065298141 /nfs/dbraw/zinc/29/81/41/1065298141.db2.gz XMMFBKMOBRMPAH-HSZRJFAPSA-N 1 0 453.558 4.767 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(C2CCCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001360428096 1065299377 /nfs/dbraw/zinc/29/93/77/1065299377.db2.gz CFALJVUDPUXDKR-WIYYLYMNSA-N 1 0 461.601 4.648 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCC1 ZINC001360428394 1065300723 /nfs/dbraw/zinc/30/07/23/1065300723.db2.gz INBHOEGDRSXVQX-CQSZACIVSA-N 1 0 493.400 4.996 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)C3(c4cccc(Cl)c4)CC(C)C3)CC2)cc1 ZINC001436351388 1065301543 /nfs/dbraw/zinc/30/15/43/1065301543.db2.gz DDLTWUNXKSJUHG-UHFFFAOYSA-N 1 0 454.014 4.747 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CCC1 ZINC001436367765 1065303789 /nfs/dbraw/zinc/30/37/89/1065303789.db2.gz NUBKKLXBYBQDTG-WXVAWEFUSA-N 1 0 455.643 4.727 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)C(C)C ZINC001360430879 1065306096 /nfs/dbraw/zinc/30/60/96/1065306096.db2.gz APONCOJVWARELW-IBGZPJMESA-N 1 0 456.585 4.858 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1CCCC1 ZINC001360432287 1065309331 /nfs/dbraw/zinc/30/93/31/1065309331.db2.gz JFQRTIXUKKCPQJ-QGZVFWFLSA-N 1 0 489.437 4.869 20 0 JJADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC001360433450 1065311929 /nfs/dbraw/zinc/31/19/29/1065311929.db2.gz ZXILUKCBBQCGIM-LJQANCHMSA-N 1 0 452.452 4.570 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc(Cc2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360437301 1065318569 /nfs/dbraw/zinc/31/85/69/1065318569.db2.gz HBVIYLSFQHXTPN-HXUWFJFHSA-N 1 0 450.606 4.722 20 0 JJADRO CCOc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001436453386 1065322407 /nfs/dbraw/zinc/32/24/07/1065322407.db2.gz XVHQRTHRTZXVMN-RUZDIDTESA-N 1 0 459.590 4.796 20 0 JJADRO CC[NH+]1CCC(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)(C(F)(F)F)CC1 ZINC001436459097 1065323623 /nfs/dbraw/zinc/32/36/23/1065323623.db2.gz CGOOODSLSWJWRY-UHFFFAOYSA-N 1 0 450.892 4.826 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360440846 1065324919 /nfs/dbraw/zinc/32/49/19/1065324919.db2.gz YLNJGEXMGYBOPB-WKLFCCHUSA-N 1 0 496.706 4.583 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CC[NH+]1CCCCCC1 ZINC001360442497 1065327575 /nfs/dbraw/zinc/32/75/75/1065327575.db2.gz OGZKQHMFZYISMX-BPJXYHRLSA-N 1 0 485.723 4.741 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](C2CC2)CC1 ZINC001360443351 1065329241 /nfs/dbraw/zinc/32/92/41/1065329241.db2.gz XZUSRSCJWYWTNB-ASPBEGMCSA-N 1 0 471.715 4.676 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1CCCC1 ZINC001360447825 1065337335 /nfs/dbraw/zinc/33/73/35/1065337335.db2.gz DYMWFVCVBRMHPE-GOSISDBHSA-N 1 0 471.447 4.729 20 0 JJADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1CC[N@H+](C)C1CCCCC1 ZINC001360448141 1065338134 /nfs/dbraw/zinc/33/81/34/1065338134.db2.gz LDZHEQPQUSLIQY-JOCHJYFZSA-N 1 0 482.717 4.787 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360454219 1065350758 /nfs/dbraw/zinc/35/07/58/1065350758.db2.gz FUAVZSMVQMVHOV-CVDCTZTESA-N 1 0 499.681 4.650 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(-c2ccccc2Br)n1CC[NH+]1CCCCC1 ZINC001360455973 1065355842 /nfs/dbraw/zinc/35/58/42/1065355842.db2.gz FFFLJXHZGJSSOK-QGZVFWFLSA-N 1 0 458.404 4.984 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)c1ccco1)[N@H+](C)C1CC1 ZINC001360456613 1065356431 /nfs/dbraw/zinc/35/64/31/1065356431.db2.gz RSGDJVYKYCGRBA-HOTGVXAUSA-N 1 0 458.404 4.981 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3cncc(Br)c3n2)CC[N@@H+]1Cc1ccccc1 ZINC001360459157 1065360505 /nfs/dbraw/zinc/36/05/05/1065360505.db2.gz FZUDOOYYVLMNHF-LPHOPBHVSA-N 1 0 453.384 4.517 20 0 JJADRO Cc1nn(-c2ccc(C(=O)N[C@H](C)C[N@H+](C)Cc3ccccc3)cc2)c(C)c1Br ZINC001436567795 1065369172 /nfs/dbraw/zinc/36/91/72/1065369172.db2.gz RTJWVZGVHUHMNM-MRXNPFEDSA-N 1 0 455.400 4.502 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001360465658 1065374580 /nfs/dbraw/zinc/37/45/80/1065374580.db2.gz XUJWEOANZWCDEM-OAQYLSRUSA-N 1 0 455.643 4.537 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)c1 ZINC001436580487 1065379331 /nfs/dbraw/zinc/37/93/31/1065379331.db2.gz SRFDZNSRXBOFQJ-UHFFFAOYSA-N 1 0 458.990 4.857 20 0 JJADRO C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360467670 1065382344 /nfs/dbraw/zinc/38/23/44/1065382344.db2.gz XHOYKOVOBMHVAE-SBUREZEXSA-N 1 0 475.659 4.692 20 0 JJADRO Cc1noc(CSc2ccccc2C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC001436602173 1065394485 /nfs/dbraw/zinc/39/44/85/1065394485.db2.gz ZYJUITGEPQBANC-OAQYLSRUSA-N 1 0 450.608 4.702 20 0 JJADRO Cc1cccc(C)c1OCCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436605209 1065395857 /nfs/dbraw/zinc/39/58/57/1065395857.db2.gz MSAGBZDRWKHPKP-UHFFFAOYSA-N 1 0 456.030 4.539 20 0 JJADRO O=C(COCCOc1ccccc1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436619830 1065400665 /nfs/dbraw/zinc/40/06/65/1065400665.db2.gz XLNDKIBFOPDRTI-HHHXNRCGSA-N 1 0 450.623 4.765 20 0 JJADRO O=C(CCNC(=O)c1ccsc1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436619603 1065400811 /nfs/dbraw/zinc/40/08/11/1065400811.db2.gz ULFXQCSEFYWFSN-DEOSSOPVSA-N 1 0 453.652 4.551 20 0 JJADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([NH+](C)C)CCCCC1 ZINC001360482816 1065402054 /nfs/dbraw/zinc/40/20/54/1065402054.db2.gz LIHYVIBYZJHFOL-INIZCTEOSA-N 1 0 489.089 4.778 20 0 JJADRO COC(C)(C)c1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC001436631837 1065408277 /nfs/dbraw/zinc/40/82/77/1065408277.db2.gz OGTJCBXTEJWVKL-FCHUYYIVSA-N 1 0 467.610 4.870 20 0 JJADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001436635461 1065409697 /nfs/dbraw/zinc/40/96/97/1065409697.db2.gz GIMRIJLEDJAZNF-JOCHJYFZSA-N 1 0 451.611 4.635 20 0 JJADRO O=C(c1cc2nccc(C(F)(F)F)n2n1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001436646475 1065415723 /nfs/dbraw/zinc/41/57/23/1065415723.db2.gz BDWNBZOUMCLOKY-UHFFFAOYSA-N 1 0 451.880 4.534 20 0 JJADRO O=C(c1cnc(OCc2ccccc2)cn1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001436648566 1065416552 /nfs/dbraw/zinc/41/65/52/1065416552.db2.gz ZKEBCGKZEXOZTI-UHFFFAOYSA-N 1 0 450.970 4.842 20 0 JJADRO C[C@@H](Cc1cccs1)Cn1c(CC(C)(C)C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001360499916 1065420552 /nfs/dbraw/zinc/42/05/52/1065420552.db2.gz JLQRCXFPYYSZRH-NRFANRHFSA-N 1 0 473.731 4.888 20 0 JJADRO C[C@@H](CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1Br)[NH+]1CCCCC1 ZINC001360504870 1065437506 /nfs/dbraw/zinc/43/75/06/1065437506.db2.gz CVVXVNKSHYDBGS-SFHVURJKSA-N 1 0 471.447 4.937 20 0 JJADRO C[C@@H](CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001360505171 1065438941 /nfs/dbraw/zinc/43/89/41/1065438941.db2.gz JDJMCJCUTOBQMO-HBMCJLEFSA-N 1 0 468.596 4.978 20 0 JJADRO C[C@H](CCn1c(-c2cccn2C)nnc1N(CCC(F)(F)F)CC1CC1)[NH+]1CCCCC1 ZINC001360505183 1065439852 /nfs/dbraw/zinc/43/98/52/1065439852.db2.gz JJZMMHLXWINVEN-GOSISDBHSA-N 1 0 452.569 4.717 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360505286 1065440017 /nfs/dbraw/zinc/44/00/17/1065440017.db2.gz LFQZADDMZRKLOT-YADHBBJMSA-N 1 0 462.642 4.768 20 0 JJADRO C[C@H](CCn1c(-c2ccccc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360505699 1065442289 /nfs/dbraw/zinc/44/22/89/1065442289.db2.gz SPFVJUCZCJMALQ-DHIUTWEWSA-N 1 0 496.700 4.903 20 0 JJADRO C[C@H](CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001360505842 1065442377 /nfs/dbraw/zinc/44/23/77/1065442377.db2.gz WFWMSMVHTALKGE-MRXNPFEDSA-N 1 0 466.939 4.903 20 0 JJADRO C[C@H](CCn1c(-c2cccn2C)nnc1N1CCC=C(Br)C1)[N@H+](C)Cc1ccccc1 ZINC001360505970 1065443077 /nfs/dbraw/zinc/44/30/77/1065443077.db2.gz YLYLAGGLVWXQQP-LJQANCHMSA-N 1 0 483.458 4.683 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC2(C)C)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001545902002 1065446126 /nfs/dbraw/zinc/44/61/26/1065446126.db2.gz DYKWPZXGERTUNK-UHFFFAOYSA-N 1 0 466.674 4.610 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(Br)c1)[NH+]1CCCCC1 ZINC001360508626 1065448226 /nfs/dbraw/zinc/44/82/26/1065448226.db2.gz GJNMIRBPYXNEBU-PZJWPPBQSA-N 1 0 490.490 4.836 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC001360508843 1065448964 /nfs/dbraw/zinc/44/89/64/1065448964.db2.gz JMUWGDDYVORZDZ-CEMLEFRQSA-N 1 0 461.601 4.912 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC001436847491 1065451306 /nfs/dbraw/zinc/45/13/06/1065451306.db2.gz QTAXQOMHKBVGCW-IFMALSPDSA-N 1 0 453.583 4.525 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001360510078 1065451561 /nfs/dbraw/zinc/45/15/61/1065451561.db2.gz CVXQEPYADDICFJ-BJKOFHAPSA-N 1 0 494.728 4.778 20 0 JJADRO C[C@H](CCn1c(Cc2ccncc2)nnc1N1CCC(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001360509997 1065451572 /nfs/dbraw/zinc/45/15/72/1065451572.db2.gz BUUOOINHKRCWHW-HXUWFJFHSA-N 1 0 486.586 4.953 20 0 JJADRO CCCn1c(C)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)c2cc(OC)ccc21 ZINC001436849968 1065452415 /nfs/dbraw/zinc/45/24/15/1065452415.db2.gz YXIPOKKVCDHHKQ-ATIYNZHBSA-N 1 0 463.622 4.635 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC001360510100 1065452483 /nfs/dbraw/zinc/45/24/83/1065452483.db2.gz DOTIDVSCWOCCRX-HSZRJFAPSA-N 1 0 452.691 4.848 20 0 JJADRO C[C@H](CCn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC001360510240 1065453341 /nfs/dbraw/zinc/45/33/41/1065453341.db2.gz GTABPNCVZDOSPE-RTWAWAEBSA-N 1 0 450.606 4.865 20 0 JJADRO C[C@H](CCn1c(COc2ccc(Cl)cc2)nnc1N(C)CC(F)(F)F)[NH+]1CCCCC1 ZINC001360510513 1065454305 /nfs/dbraw/zinc/45/43/05/1065454305.db2.gz MHOAQDVTPVYQFB-MRXNPFEDSA-N 1 0 459.944 4.774 20 0 JJADRO C[C@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCCCC1 ZINC001360510406 1065454334 /nfs/dbraw/zinc/45/43/34/1065454334.db2.gz JXTLTFTVCHCFSU-OFNKIYASSA-N 1 0 460.066 4.792 20 0 JJADRO C[C@H](CCn1c(N2CCC(O)(c3ccccc3Cl)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360510553 1065454764 /nfs/dbraw/zinc/45/47/64/1065454764.db2.gz NFYPAXBGCOLSKQ-HXUWFJFHSA-N 1 0 474.093 4.982 20 0 JJADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC001436919608 1065471498 /nfs/dbraw/zinc/47/14/98/1065471498.db2.gz GBTJPFLVUIVZLR-KRWDZBQOSA-N 1 0 456.412 4.583 20 0 JJADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001360516317 1065476726 /nfs/dbraw/zinc/47/67/26/1065476726.db2.gz QQUCUYGHJCVIDH-NRFANRHFSA-N 1 0 488.721 4.893 20 0 JJADRO C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001436961562 1065482083 /nfs/dbraw/zinc/48/20/83/1065482083.db2.gz XSRHHDXIMSKPGH-AWEZNQCLSA-N 1 0 454.796 4.506 20 0 JJADRO C[C@@H](CN(C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)C[NH+](C)C)c1nccs1 ZINC001360518625 1065482688 /nfs/dbraw/zinc/48/26/88/1065482688.db2.gz CDJQPDMMHKCSRU-KRWDZBQOSA-N 1 0 452.628 4.976 20 0 JJADRO CC(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001360520679 1065493726 /nfs/dbraw/zinc/49/37/26/1065493726.db2.gz KXZBZEHPHPEOMZ-RXVVDRJESA-N 1 0 489.089 4.652 20 0 JJADRO C[C@H](CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1)[NH+](C)C)c1nccs1 ZINC001360521823 1065497623 /nfs/dbraw/zinc/49/76/23/1065497623.db2.gz ZZIPRLREDZSBMS-YLJYHZDGSA-N 1 0 482.057 4.993 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001545904154 1065499665 /nfs/dbraw/zinc/49/96/65/1065499665.db2.gz PFPKTLZIZAIKHY-SFTDATJTSA-N 1 0 472.703 4.720 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(C)o2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545904293 1065502208 /nfs/dbraw/zinc/50/22/08/1065502208.db2.gz ROACSHWONKUHOK-MZKRTTBSSA-N 1 0 484.689 4.807 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)o2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545904296 1065502319 /nfs/dbraw/zinc/50/23/19/1065502319.db2.gz ROACSHWONKUHOK-ZRCGQRJVSA-N 1 0 484.689 4.807 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccc(OC)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001545904424 1065503870 /nfs/dbraw/zinc/50/38/70/1065503870.db2.gz UVHGFOARYLHMJI-XMMPIXPASA-N 1 0 496.700 4.811 20 0 JJADRO C[C@H](CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccccc1)[NH+](C)C)c1nccs1 ZINC001360526419 1065505005 /nfs/dbraw/zinc/50/50/05/1065505005.db2.gz LGSWIFIEYZNVHA-WIYYLYMNSA-N 1 0 466.680 4.930 20 0 JJADRO C[C@H](CN(C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)C[NH+](C)C)c1nccs1 ZINC001360526571 1065505346 /nfs/dbraw/zinc/50/53/46/1065505346.db2.gz OQPBBLSTICMWTE-LJQANCHMSA-N 1 0 465.671 4.565 20 0 JJADRO C[C@@H](CN(C)c1nnc(Cc2ccsc2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1nccs1 ZINC001360526735 1065505967 /nfs/dbraw/zinc/50/59/67/1065505967.db2.gz SCBATXKYPAZMJE-OALUTQOASA-N 1 0 458.701 4.891 20 0 JJADRO C[C@@H](CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001360530272 1065510498 /nfs/dbraw/zinc/51/04/98/1065510498.db2.gz WAJOUUGKGKIHJV-ZMUKGBGYSA-N 1 0 496.700 4.629 20 0 JJADRO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=C(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001360531487 1065513307 /nfs/dbraw/zinc/51/33/07/1065513307.db2.gz TYJVILJGBUBFSJ-GOSISDBHSA-N 1 0 485.076 4.527 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001360535072 1065516124 /nfs/dbraw/zinc/51/61/24/1065516124.db2.gz KTZGKYGQGMPFPF-HNNXBMFYSA-N 1 0 499.379 4.565 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC(F)(F)F)CC1CC1)[N@H+](C)C1CC1 ZINC001360535870 1065517897 /nfs/dbraw/zinc/51/78/97/1065517897.db2.gz RMFDEOGQANXUQB-CYBMUJFWSA-N 1 0 489.384 4.687 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1Cc1ccccc1)[NH+](C)C ZINC001360539834 1065523822 /nfs/dbraw/zinc/52/38/22/1065523822.db2.gz AZXMTSSKSXAXFW-AEFFLSMTSA-N 1 0 474.472 4.931 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1nccs1)[N@H+](C)Cc1ccccc1 ZINC001360540187 1065525106 /nfs/dbraw/zinc/52/51/06/1065525106.db2.gz BBGOZTONYJDERC-GOSISDBHSA-N 1 0 482.057 4.649 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](OCc2ccccc2)C1)[NH+](C)C ZINC001360541261 1065528064 /nfs/dbraw/zinc/52/80/64/1065528064.db2.gz NPDHRNANTIOPII-SJLPKXTDSA-N 1 0 490.471 4.515 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N(C)c1ccccc1 ZINC001360542611 1065531988 /nfs/dbraw/zinc/53/19/88/1065531988.db2.gz ZMBIHDHKDKOZPP-FQEVSTJZSA-N 1 0 482.076 4.829 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(F)F)C1)[N@H+](C)C1CC1 ZINC001360544420 1065533773 /nfs/dbraw/zinc/53/37/73/1065533773.db2.gz IVZXKBIKEQPAEC-GJZGRUSLSA-N 1 0 468.390 4.672 20 0 JJADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360557929 1065547338 /nfs/dbraw/zinc/54/73/38/1065547338.db2.gz IBWPMAAIQUNEOF-NRFANRHFSA-N 1 0 496.700 4.950 20 0 JJADRO CCCCC[N@H+](CCNC(=O)c1ccc2cncc(Br)c2n1)Cc1ccccc1 ZINC001437415306 1065548578 /nfs/dbraw/zinc/54/85/78/1065548578.db2.gz JGCQNOWKJRVMAB-UHFFFAOYSA-N 1 0 455.400 4.815 20 0 JJADRO C[C@H](Cn1c(C2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360559644 1065548979 /nfs/dbraw/zinc/54/89/79/1065548979.db2.gz KOCYHBOANUHQDO-HXUWFJFHSA-N 1 0 474.694 4.646 20 0 JJADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001360562297 1065552575 /nfs/dbraw/zinc/55/25/75/1065552575.db2.gz BEDBKRGXTSNXMG-IMSXRSKXSA-N 1 0 496.700 4.725 20 0 JJADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC001360565523 1065556222 /nfs/dbraw/zinc/55/62/22/1065556222.db2.gz XTGCUVOHIBHNGT-MMOPVJDHSA-N 1 0 494.453 4.564 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001545907117 1065557098 /nfs/dbraw/zinc/55/70/98/1065557098.db2.gz AHARMIPWWHKYAH-FQEVSTJZSA-N 1 0 486.730 4.797 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1)[N@H+](C)Cc1ccccc1 ZINC001360568951 1065561351 /nfs/dbraw/zinc/56/13/51/1065561351.db2.gz HLTOVXMSZDPJGN-GGAORHGYSA-N 1 0 463.674 4.505 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC001360569054 1065561590 /nfs/dbraw/zinc/56/15/90/1065561590.db2.gz FTPPPTVWMIBVAZ-AUSIDOKSSA-N 1 0 457.638 4.674 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)N(C)c1ccccc1 ZINC001360571527 1065565051 /nfs/dbraw/zinc/56/50/51/1065565051.db2.gz XHMLTWWHORIPFH-XZOQPEGZSA-N 1 0 452.691 4.704 20 0 JJADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360574213 1065568994 /nfs/dbraw/zinc/56/89/94/1065568994.db2.gz BJYQVKLLLVJOMU-WIOPSUGQSA-N 1 0 476.669 4.568 20 0 JJADRO C[C@H](Cn1c(CC2CCCC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001360578473 1065573914 /nfs/dbraw/zinc/57/39/14/1065573914.db2.gz JJUFBOPQTGDQPZ-UZLBHIALSA-N 1 0 466.443 4.870 20 0 JJADRO C[C@@H](Cn1c(CC2CCCC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001360578469 1065574064 /nfs/dbraw/zinc/57/40/64/1065574064.db2.gz JJUFBOPQTGDQPZ-OXJNMPFZSA-N 1 0 466.443 4.870 20 0 JJADRO C[C@@H](N1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001360578900 1065574600 /nfs/dbraw/zinc/57/46/00/1065574600.db2.gz OARUJAQAGDUUBC-LEWJYISDSA-N 1 0 492.634 4.604 20 0 JJADRO Cn1c(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)ccc1-c1ccc(Br)cc1 ZINC001437585470 1065581889 /nfs/dbraw/zinc/58/18/89/1065581889.db2.gz JYDYYZNFDRZRHY-FQEVSTJZSA-N 1 0 452.396 4.978 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+](C)C ZINC001360583800 1065582339 /nfs/dbraw/zinc/58/23/39/1065582339.db2.gz KPWDEWFCFHULLH-WIYYLYMNSA-N 1 0 497.606 4.652 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]2CCC[C@@H]21)[NH+](C)C ZINC001360583812 1065582413 /nfs/dbraw/zinc/58/24/13/1065582413.db2.gz KZLAXUARDRKZGU-MDZRGWNJSA-N 1 0 452.430 4.883 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1Nc1cnn(CC2CCC2)c1)[NH+](C)C ZINC001360584768 1065585454 /nfs/dbraw/zinc/58/54/54/1065585454.db2.gz ZZJBIQROWKXLDV-LJQANCHMSA-N 1 0 465.646 4.845 20 0 JJADRO C[C@H](Cn1c(N2CCc3cc(OCC(C)(C)F)ccc3C2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360587500 1065589366 /nfs/dbraw/zinc/58/93/66/1065589366.db2.gz QSEBZFHFBMPFBG-GOSISDBHSA-N 1 0 457.638 4.748 20 0 JJADRO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)[N@H+](C)C1CC1 ZINC001360587795 1065589984 /nfs/dbraw/zinc/58/99/84/1065589984.db2.gz PQJGUXSXHDLJFG-SJORKVTESA-N 1 0 464.079 4.710 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC001360589977 1065594496 /nfs/dbraw/zinc/59/44/96/1065594496.db2.gz BEECECQUXXNTBU-JXFKEZNVSA-N 1 0 495.043 4.729 20 0 JJADRO CC(C)[C@H]1CN(C(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001437721168 1065595915 /nfs/dbraw/zinc/59/59/15/1065595915.db2.gz BHTMSIVBWIIIHE-BJKOFHAPSA-N 1 0 457.659 4.783 20 0 JJADRO CC(C)[C@H]1CN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001437732200 1065597113 /nfs/dbraw/zinc/59/71/13/1065597113.db2.gz WKWFXGWOPZTHCS-FMGHJNRGSA-N 1 0 469.670 4.925 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(Cl)c1)[NH+](C)C ZINC001360591042 1065597525 /nfs/dbraw/zinc/59/75/25/1065597525.db2.gz VNIFMPHCNHTTNH-PXNSSMCTSA-N 1 0 477.053 4.590 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)OC1CCCC1)C[NH+]1CCCC1 ZINC001360592004 1065599398 /nfs/dbraw/zinc/59/93/98/1065599398.db2.gz NPLJISVPZXBYNQ-KRWDZBQOSA-N 1 0 462.436 4.750 20 0 JJADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360592078 1065599532 /nfs/dbraw/zinc/59/95/32/1065599532.db2.gz OZKSRTMENIMKAD-RXVVDRJESA-N 1 0 490.490 4.691 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC001360592255 1065600177 /nfs/dbraw/zinc/60/01/77/1065600177.db2.gz RXIAJODMPKAHTC-QZTJIDSGSA-N 1 0 477.495 4.650 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ncc(Cl)n1C)C[NH+]1CCCC1 ZINC001360592400 1065600851 /nfs/dbraw/zinc/60/08/51/1065600851.db2.gz VCBWEAGTJGTCOC-IBGZPJMESA-N 1 0 484.092 4.998 20 0 JJADRO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001360592498 1065600891 /nfs/dbraw/zinc/60/08/91/1065600891.db2.gz WSWNDUOIAULONX-RDGATRHJSA-N 1 0 483.701 4.605 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(F)F)C[NH+]1CCCC1 ZINC001360592394 1065600959 /nfs/dbraw/zinc/60/09/59/1065600959.db2.gz UTCBTSNUZITDRA-AWEZNQCLSA-N 1 0 474.369 4.670 20 0 JJADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)(F)C1)C[NH+]1CCCC1 ZINC001360592983 1065602532 /nfs/dbraw/zinc/60/25/32/1065602532.db2.gz BISORDQEZIONCS-KRWDZBQOSA-N 1 0 451.993 4.736 20 0 JJADRO CC(C)OC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001360592948 1065602615 /nfs/dbraw/zinc/60/26/15/1065602615.db2.gz BCAZGXBWDHOFGP-HXUWFJFHSA-N 1 0 460.066 4.648 20 0 JJADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001437773685 1065603820 /nfs/dbraw/zinc/60/38/20/1065603820.db2.gz ZXJOPYMFTQTKAB-HNNXBMFYSA-N 1 0 454.423 4.832 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360594049 1065604144 /nfs/dbraw/zinc/60/41/44/1065604144.db2.gz LPJNAHHYUDYLSQ-KBXCAEBGSA-N 1 0 492.373 4.751 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360594282 1065604940 /nfs/dbraw/zinc/60/49/40/1065604940.db2.gz NFBNLTDUVCXBOC-CVEARBPZSA-N 1 0 483.501 4.573 20 0 JJADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360594285 1065604973 /nfs/dbraw/zinc/60/49/73/1065604973.db2.gz NFBNLTDUVCXBOC-JKSUJKDBSA-N 1 0 483.501 4.573 20 0 JJADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001360594545 1065604991 /nfs/dbraw/zinc/60/49/91/1065604991.db2.gz SJSJGPDXWXODIG-SFHVURJKSA-N 1 0 483.554 4.897 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)C[NH+]1CCCC1 ZINC001360594756 1065605565 /nfs/dbraw/zinc/60/55/65/1065605565.db2.gz USOJGSCKUJBVNN-VXKWHMMOSA-N 1 0 483.701 4.890 20 0 JJADRO C[C@H](Cn1c(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)nnc1C(C)(C)C)C[NH+]1CCCC1 ZINC001360594905 1065605573 /nfs/dbraw/zinc/60/55/73/1065605573.db2.gz VUASTPAZYLLNFR-UWJYYQICSA-N 1 0 464.029 4.678 20 0 JJADRO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cc(Cl)ccn1)C[NH+]1CCCC1 ZINC001360594722 1065605618 /nfs/dbraw/zinc/60/56/18/1065605618.db2.gz UCVUNRLYCSDXCE-KRWDZBQOSA-N 1 0 474.987 4.564 20 0 JJADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCc1cccs1)C[NH+]1CCCC1 ZINC001360595361 1065606680 /nfs/dbraw/zinc/60/66/80/1065606680.db2.gz ZKXUOHOUTCLZCI-LJQANCHMSA-N 1 0 458.075 4.995 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(F)c1)C[NH+]1CCCC1 ZINC001360596566 1065609783 /nfs/dbraw/zinc/60/97/83/1065609783.db2.gz CFAHMGAETUXNRM-UEVCKROQSA-N 1 0 457.638 4.704 20 0 JJADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360596751 1065610592 /nfs/dbraw/zinc/61/05/92/1065610592.db2.gz GONZVUOQXQTISV-UGKGYDQZSA-N 1 0 477.600 4.674 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)C1CCC1)C[NH+]1CCCCC1 ZINC001360596828 1065611192 /nfs/dbraw/zinc/61/11/92/1065611192.db2.gz HYZNEACAAWTMNC-HNNXBMFYSA-N 1 0 452.466 4.880 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCSC[C@@H]1C)C[NH+]1CCCCC1 ZINC001360597173 1065611953 /nfs/dbraw/zinc/61/19/53/1065611953.db2.gz MKCNZJPBHXRITO-ROUUACIJSA-N 1 0 478.504 4.771 20 0 JJADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC001360597349 1065612949 /nfs/dbraw/zinc/61/29/49/1065612949.db2.gz NKUOBQDHCHCHHK-OALUTQOASA-N 1 0 497.594 4.523 20 0 JJADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC001360597351 1065612965 /nfs/dbraw/zinc/61/29/65/1065612965.db2.gz NKUOBQDHCHCHHK-RTBURBONSA-N 1 0 497.594 4.523 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC001360597585 1065614571 /nfs/dbraw/zinc/61/45/71/1065614571.db2.gz PWBNSPCFPRDXLS-UXHICEINSA-N 1 0 490.490 4.692 20 0 JJADRO C[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccco1)C[NH+]1CCCCC1 ZINC001360597950 1065616130 /nfs/dbraw/zinc/61/61/30/1065616130.db2.gz TWIFTDQSNGNZBL-WOJBJXKFSA-N 1 0 455.578 4.909 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597971 1065616787 /nfs/dbraw/zinc/61/67/87/1065616787.db2.gz UCEGIVYLTCRPHN-QRVBRYPASA-N 1 0 479.641 4.999 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360598554 1065618857 /nfs/dbraw/zinc/61/88/57/1065618857.db2.gz ZLKYCLWKPBDICY-RBUKOAKNSA-N 1 0 490.490 4.833 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CCOCC1)C[NH+]1CCCCC1 ZINC001360598542 1065619044 /nfs/dbraw/zinc/61/90/44/1065619044.db2.gz ZEQFXFKGPRJEJI-GOSISDBHSA-N 1 0 464.029 4.722 20 0 JJADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC001360599168 1065619908 /nfs/dbraw/zinc/61/99/08/1065619908.db2.gz LGTUOSIZYNYXDD-GOSISDBHSA-N 1 0 473.547 4.512 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(c2ccccc2CO)CC1)C[NH+]1CCCCC1 ZINC001360599442 1065620737 /nfs/dbraw/zinc/62/07/37/1065620737.db2.gz PQSKXKRVFYUXOS-JOCHJYFZSA-N 1 0 467.702 4.865 20 0 JJADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001360599483 1065621469 /nfs/dbraw/zinc/62/14/69/1065621469.db2.gz QQXINRASWVRYKQ-OAQYLSRUSA-N 1 0 471.665 4.914 20 0 JJADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccccc1F)C[NH+]1CCCCC1 ZINC001360599709 1065621608 /nfs/dbraw/zinc/62/16/08/1065621608.db2.gz VNWVXLNDZCRCRA-NHCUHLMSSA-N 1 0 450.606 4.722 20 0 JJADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360601604 1065624691 /nfs/dbraw/zinc/62/46/91/1065624691.db2.gz CVHBUOFTLPYMHQ-FDDCHVKYSA-N 1 0 499.647 4.582 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(F)(F)C1)C[NH+]1CCCCC1 ZINC001360601974 1065625459 /nfs/dbraw/zinc/62/54/59/1065625459.db2.gz KHZVNKNBDZAMDC-KRWDZBQOSA-N 1 0 498.416 4.587 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@H]1C)C[NH+]1CCCCC1 ZINC001360602364 1065626420 /nfs/dbraw/zinc/62/64/20/1065626420.db2.gz OEIOARLSODITPC-FCHUYYIVSA-N 1 0 469.674 4.502 20 0 JJADRO C[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1csc(Br)c1)C[NH+]1CCCCC1 ZINC001360602896 1065627027 /nfs/dbraw/zinc/62/70/27/1065627027.db2.gz QXTZTUIZMXTGAQ-MRXNPFEDSA-N 1 0 466.493 4.813 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)CC(C)(C)C1)C[NH+]1CCOCC1 ZINC001360602975 1065628047 /nfs/dbraw/zinc/62/80/47/1065628047.db2.gz FIYGYCFZTIMWTH-IRXDYDNUSA-N 1 0 496.519 4.610 20 0 JJADRO C[C@@H](Cn1c(N2CCN(c3ccccc3Cl)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360602918 1065628153 /nfs/dbraw/zinc/62/81/53/1065628153.db2.gz RBDFUFGKMQEPSV-HXUWFJFHSA-N 1 0 459.082 4.678 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001360604384 1065629719 /nfs/dbraw/zinc/62/97/19/1065629719.db2.gz QFPAGGBXEFFWPB-PZJWPPBQSA-N 1 0 490.490 4.548 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001438021684 1065652449 /nfs/dbraw/zinc/65/24/49/1065652449.db2.gz GMQYKSKUZUEOJJ-CBUXHAPBSA-N 1 0 469.670 4.687 20 0 JJADRO Cc1cc(C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)oc1Br ZINC001438030503 1065655065 /nfs/dbraw/zinc/65/50/65/1065655065.db2.gz IBXNGSXPCYGGRP-CQSZACIVSA-N 1 0 456.178 4.636 20 0 JJADRO Cc1cc(OC(F)F)c(C(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)s1 ZINC001438031765 1065655130 /nfs/dbraw/zinc/65/51/30/1065655130.db2.gz HMOFEGRTSWLXHR-AWEZNQCLSA-N 1 0 459.356 4.944 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2ccc(Br)s2)C1 ZINC001438033746 1065656966 /nfs/dbraw/zinc/65/69/66/1065656966.db2.gz PFFYIQNRONFILJ-ZDUSSCGKSA-N 1 0 458.219 4.796 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1cc(COc2ccccc2F)on1 ZINC001438064229 1065664106 /nfs/dbraw/zinc/66/41/06/1065664106.db2.gz WPLLSCDFFQUEKS-UHFFFAOYSA-N 1 0 451.542 4.908 20 0 JJADRO CC(C)c1nc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)nn1-c1ccccc1Cl ZINC001360620404 1065667585 /nfs/dbraw/zinc/66/75/85/1065667585.db2.gz ZSWXZKISPUXPHU-UHFFFAOYSA-N 1 0 450.974 4.813 20 0 JJADRO CC(C)[NH+]1CCC(CCNC(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC001438118019 1065674298 /nfs/dbraw/zinc/67/42/98/1065674298.db2.gz HQIAGZCISSYWNO-UHFFFAOYSA-N 1 0 450.446 4.742 20 0 JJADRO Cc1cc(CSc2ncccc2C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC001438123587 1065675094 /nfs/dbraw/zinc/67/50/94/1065675094.db2.gz YIQRTWJFEQCFLG-UHFFFAOYSA-N 1 0 450.608 4.702 20 0 JJADRO Cc1ccc(O[C@H](C)C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC001438121519 1065675113 /nfs/dbraw/zinc/67/51/13/1065675113.db2.gz OOCNFYRJOVUBSD-LJQANCHMSA-N 1 0 459.428 4.943 20 0 JJADRO COc1ccc(CCC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC001438122606 1065675131 /nfs/dbraw/zinc/67/51/31/1065675131.db2.gz SOHVTBBAOARBRJ-UHFFFAOYSA-N 1 0 459.428 4.809 20 0 JJADRO C[C@@H](N1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1)C(F)(F)F ZINC001360636271 1065692280 /nfs/dbraw/zinc/69/22/80/1065692280.db2.gz CYJYJQDBRSRSGT-WIYYLYMNSA-N 1 0 498.663 4.514 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001360636879 1065695821 /nfs/dbraw/zinc/69/58/21/1065695821.db2.gz NCFLNJIYUZOLPL-FPOVZHCZSA-N 1 0 474.694 4.550 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001360636881 1065695903 /nfs/dbraw/zinc/69/59/03/1065695903.db2.gz NCFLNJIYUZOLPL-TZIWHRDSSA-N 1 0 474.694 4.550 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001360636957 1065696903 /nfs/dbraw/zinc/69/69/03/1065696903.db2.gz OJJZMLYXYPKTAP-LADGPHEKSA-N 1 0 496.700 4.951 20 0 JJADRO C[C@H](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360637021 1065698486 /nfs/dbraw/zinc/69/84/86/1065698486.db2.gz PPARHFHVXQOZRJ-FSSWDIPSSA-N 1 0 499.704 4.667 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1ccc(Cl)c(Cl)c1 ZINC001438247635 1065701731 /nfs/dbraw/zinc/70/17/31/1065701731.db2.gz DVZKBGQMMAJWRC-HXUWFJFHSA-N 1 0 450.410 4.688 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001360638363 1065702743 /nfs/dbraw/zinc/70/27/43/1065702743.db2.gz CQKMCDASJRMAFK-QUCCMNQESA-N 1 0 488.677 4.601 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001360638364 1065702824 /nfs/dbraw/zinc/70/28/24/1065702824.db2.gz CQKMCDASJRMAFK-UYAOXDASSA-N 1 0 488.677 4.601 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC3CC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001360638745 1065704131 /nfs/dbraw/zinc/70/41/31/1065704131.db2.gz IFZROKOPTFMTLV-IFMALSPDSA-N 1 0 488.721 4.625 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCC2)C1 ZINC001360639651 1065708294 /nfs/dbraw/zinc/70/82/94/1065708294.db2.gz RLMBXWIJJMXMKW-RTWAWAEBSA-N 1 0 476.710 4.581 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360640777 1065710790 /nfs/dbraw/zinc/71/07/90/1065710790.db2.gz ZFOKNJGKBVXCOL-HXUWFJFHSA-N 1 0 490.737 4.970 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001360641100 1065712487 /nfs/dbraw/zinc/71/24/87/1065712487.db2.gz CVJGGWVSQXGVRK-LEWJYISDSA-N 1 0 496.700 4.806 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001360641074 1065712583 /nfs/dbraw/zinc/71/25/83/1065712583.db2.gz CJHZSJDLAPROBI-NRFANRHFSA-N 1 0 488.721 4.941 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001360641672 1065714217 /nfs/dbraw/zinc/71/42/17/1065714217.db2.gz LMIGZQQOOZQAPE-DYESRHJHSA-N 1 0 488.702 4.650 20 0 JJADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001438358777 1065715667 /nfs/dbraw/zinc/71/56/67/1065715667.db2.gz OUPMGRUIWKPKDW-LJQANCHMSA-N 1 0 455.400 4.510 20 0 JJADRO O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001438357707 1065715838 /nfs/dbraw/zinc/71/58/38/1065715838.db2.gz KFSRDUCQRAPTGT-LJQANCHMSA-N 1 0 458.393 4.749 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 ZINC001360645192 1065720100 /nfs/dbraw/zinc/72/01/00/1065720100.db2.gz GWSMAXMSQUAKOV-ICSRJNTNSA-N 1 0 456.585 4.895 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)cc2)CC1 ZINC001438406073 1065720561 /nfs/dbraw/zinc/72/05/61/1065720561.db2.gz RKNIAWAEFKATCT-LOSJGSFVSA-N 1 0 478.637 4.850 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001360647032 1065722763 /nfs/dbraw/zinc/72/27/63/1065722763.db2.gz VCLCDIQGDNSCNS-KNQAVFIVSA-N 1 0 480.682 4.835 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001360647264 1065723073 /nfs/dbraw/zinc/72/30/73/1065723073.db2.gz XFUJHUWOJQVOCB-HXUWFJFHSA-N 1 0 479.648 4.566 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCCCc2ccc(I)cc2)[C@H](C)C1 ZINC001360648526 1065724290 /nfs/dbraw/zinc/72/42/90/1065724290.db2.gz ROEDRTFJEZHBPA-XLIONFOSSA-N 1 0 456.412 4.583 20 0 JJADRO C/C(=C/C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)c1ccccc1C(F)(F)F ZINC001360657821 1065726917 /nfs/dbraw/zinc/72/69/17/1065726917.db2.gz CZMNGTRLVKRFTQ-HQSFBDMMSA-N 1 0 459.512 4.914 20 0 JJADRO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC001360658758 1065728652 /nfs/dbraw/zinc/72/86/52/1065728652.db2.gz PEHVVUGLJLIJSY-JTHBVZDNSA-N 1 0 458.002 4.548 20 0 JJADRO O=C(COc1ccc(Br)cc1Cl)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001438568160 1065732270 /nfs/dbraw/zinc/73/22/70/1065732270.db2.gz XVCZWKIUGQXQDA-GOSISDBHSA-N 1 0 451.792 4.652 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001438576503 1065733530 /nfs/dbraw/zinc/73/35/30/1065733530.db2.gz ZIIIMEUQBPKUCO-XZOQPEGZSA-N 1 0 455.643 4.585 20 0 JJADRO C[C@@H]1CCc2c(C(=O)NCc3cc(C(F)(F)F)ccc3N3CC[NH+](C)CC3)csc2C1 ZINC001360677458 1065733552 /nfs/dbraw/zinc/73/35/52/1065733552.db2.gz FUKHZEQCQLFTFR-OAHLLOKOSA-N 1 0 451.558 4.574 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC001360706663 1065742509 /nfs/dbraw/zinc/74/25/09/1065742509.db2.gz KSMABDHXNODMBK-HXUWFJFHSA-N 1 0 452.599 4.718 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)cc2F)CC1 ZINC001438747362 1065749030 /nfs/dbraw/zinc/74/90/30/1065749030.db2.gz NXVGETYZLUUKLT-ZWKOTPCHSA-N 1 0 451.464 4.608 20 0 JJADRO C[C@](O)(C1CCN(c2nnc(Cc3ccsc3)n2CCCCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001360723894 1065750981 /nfs/dbraw/zinc/75/09/81/1065750981.db2.gz FTCLQTOJIQVCSK-QHCPKHFHSA-N 1 0 499.647 4.726 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001360734732 1065762535 /nfs/dbraw/zinc/76/25/35/1065762535.db2.gz CRVPLJMNCZAIAZ-VQIMIIECSA-N 1 0 458.393 4.699 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)CCCCCNC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001360735350 1065763999 /nfs/dbraw/zinc/76/39/99/1065763999.db2.gz PKSBZOVTDLPYOW-WIOPSUGQSA-N 1 0 456.675 4.690 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001360735910 1065764554 /nfs/dbraw/zinc/76/45/54/1065764554.db2.gz ZMRPDQYEWHDCRL-SJLPKXTDSA-N 1 0 458.393 4.699 20 0 JJADRO CCC1([NH+]2CCCCC2)CCN(C(=O)Cc2ccc(OCCOc3ccccc3)cc2)CC1 ZINC001438911672 1065764865 /nfs/dbraw/zinc/76/48/65/1065764865.db2.gz QCKUGQOXBLIUOL-UHFFFAOYSA-N 1 0 450.623 4.944 20 0 JJADRO CO[C@H](C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(Br)s1 ZINC001438987729 1065774385 /nfs/dbraw/zinc/77/43/85/1065774385.db2.gz UVEOJGCDRQMIMI-PXNSSMCTSA-N 1 0 451.430 4.711 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360740799 1065774655 /nfs/dbraw/zinc/77/46/55/1065774655.db2.gz KQHOHJPHVYTSES-MRXNPFEDSA-N 1 0 455.500 4.596 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC[N@H+]1CC=CCC1 ZINC001360742346 1065777613 /nfs/dbraw/zinc/77/76/13/1065777613.db2.gz XMRIJUFTSHTHQT-QGZVFWFLSA-N 1 0 467.511 4.598 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001360743456 1065779512 /nfs/dbraw/zinc/77/95/12/1065779512.db2.gz FJHXEKDQSVXZAP-UXHICEINSA-N 1 0 455.578 4.874 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001360743757 1065779930 /nfs/dbraw/zinc/77/99/30/1065779930.db2.gz IQRRMHYFYREOCL-KRWDZBQOSA-N 1 0 451.537 4.667 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCS1 ZINC001360744803 1065783107 /nfs/dbraw/zinc/78/31/07/1065783107.db2.gz AWZXCWDBHWYZHW-RXVVDRJESA-N 1 0 461.651 4.763 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCCS1 ZINC001360744801 1065783250 /nfs/dbraw/zinc/78/32/50/1065783250.db2.gz AWZXCWDBHWYZHW-GHTZIAJQSA-N 1 0 461.651 4.763 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC=C(Br)C2)n1CC1([NH+](C)C)CCCC1 ZINC001360745425 1065784183 /nfs/dbraw/zinc/78/41/83/1065784183.db2.gz KPMCQICRSLGVSJ-KRWDZBQOSA-N 1 0 492.437 4.921 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)CCCCC1 ZINC001439095832 1065784574 /nfs/dbraw/zinc/78/45/74/1065784574.db2.gz FJVBDWVNLRISTF-JOCHJYFZSA-N 1 0 451.586 4.520 20 0 JJADRO C[C@]12CN(C(=O)CCSc3ccc(Br)cc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001439110993 1065787975 /nfs/dbraw/zinc/78/79/75/1065787975.db2.gz NXHVOFLEKFYOOV-XXBNENTESA-N 1 0 459.453 4.912 20 0 JJADRO COc1cc(Br)c(Cl)cc1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439111499 1065788082 /nfs/dbraw/zinc/78/80/82/1065788082.db2.gz PDIHTHAFZWEODE-ZHRRBRCNSA-N 1 0 463.803 4.705 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747623 1065789000 /nfs/dbraw/zinc/78/90/00/1065789000.db2.gz LINCCAFYGICNQI-FYYLOGMGSA-N 1 0 455.643 4.537 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC001360748275 1065789605 /nfs/dbraw/zinc/78/96/05/1065789605.db2.gz UZJHNFZHXXEWJU-XMMPIXPASA-N 1 0 458.602 4.810 20 0 JJADRO Cc1sc(Br)c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCOCC2)c1C ZINC001439125651 1065790473 /nfs/dbraw/zinc/79/04/73/1065790473.db2.gz WHRHOCONVCKVOP-UHFFFAOYSA-N 1 0 451.430 4.538 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCSC1 ZINC001360748970 1065790923 /nfs/dbraw/zinc/79/09/23/1065790923.db2.gz JFHNNSOMFNJKEX-UXHICEINSA-N 1 0 475.678 4.869 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001360749063 1065791487 /nfs/dbraw/zinc/79/14/87/1065791487.db2.gz KZNFCKFEBZSCTN-GHTZIAJQSA-N 1 0 495.590 4.540 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCSCC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001360749504 1065792600 /nfs/dbraw/zinc/79/26/00/1065792600.db2.gz FEOUSSZKIBCHIR-WOJBJXKFSA-N 1 0 461.651 4.765 20 0 JJADRO CC(C)[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCCC1 ZINC001360749900 1065793677 /nfs/dbraw/zinc/79/36/77/1065793677.db2.gz IYDUYLFHFZKMPH-SXWKCWPCSA-N 1 0 473.637 4.681 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360753666 1065800418 /nfs/dbraw/zinc/80/04/18/1065800418.db2.gz GUDBYHBLWTWZRK-UXHICEINSA-N 1 0 476.065 4.666 20 0 JJADRO O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001439224320 1065801457 /nfs/dbraw/zinc/80/14/57/1065801457.db2.gz LLDXXSKPPMYIOG-UHFFFAOYSA-N 1 0 450.486 4.984 20 0 JJADRO CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001439224325 1065801502 /nfs/dbraw/zinc/80/15/02/1065801502.db2.gz LMLFKKMLYZAOSY-UHFFFAOYSA-N 1 0 454.514 4.737 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001360753952 1065802018 /nfs/dbraw/zinc/80/20/18/1065802018.db2.gz LRPWZEIEDQHEIP-LJQANCHMSA-N 1 0 492.064 4.534 20 0 JJADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001439243822 1065803720 /nfs/dbraw/zinc/80/37/20/1065803720.db2.gz CUFPGVWPIXLMSK-LVCYWYKZSA-N 1 0 451.419 4.810 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001360755224 1065808204 /nfs/dbraw/zinc/80/82/04/1065808204.db2.gz AUNNZYBPFFZRPZ-HBMCJLEFSA-N 1 0 476.065 4.665 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001439360383 1065820137 /nfs/dbraw/zinc/82/01/37/1065820137.db2.gz VNAHDKTWXCWPTP-SJORKVTESA-N 1 0 463.803 4.705 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2=CCCOC2)CC1 ZINC001360758356 1065824232 /nfs/dbraw/zinc/82/42/32/1065824232.db2.gz QXEPNANAJMORDL-HXUWFJFHSA-N 1 0 488.076 4.975 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@@H]2CCCCO2)CC1 ZINC001360759885 1065829934 /nfs/dbraw/zinc/82/99/34/1065829934.db2.gz DCKSLGHWNSGYBG-FPOVZHCZSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001360760051 1065830657 /nfs/dbraw/zinc/83/06/57/1065830657.db2.gz GSCAGAQDSLLUIO-QKNQBKEWSA-N 1 0 476.065 4.543 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[NH+]1CCCC1 ZINC001360760825 1065834572 /nfs/dbraw/zinc/83/45/72/1065834572.db2.gz UAIKMXBNMCJSGZ-OALUTQOASA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCC[NH+]1CCCCC1 ZINC001360762476 1065839243 /nfs/dbraw/zinc/83/92/43/1065839243.db2.gz GGKCHASUWIHWTF-LQWHRVPQSA-N 1 0 450.002 4.742 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360764552 1065845462 /nfs/dbraw/zinc/84/54/62/1065845462.db2.gz BUXPBWXAVGVYTN-AVRDEDQJSA-N 1 0 480.613 4.953 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2CC(F)(F)C2)n1CC1([NH+](C)C)CCCC1 ZINC001360765160 1065848190 /nfs/dbraw/zinc/84/81/90/1065848190.db2.gz LVTBENHJLYSUIG-KRWDZBQOSA-N 1 0 465.564 4.913 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCCO2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001360765557 1065850382 /nfs/dbraw/zinc/85/03/82/1065850382.db2.gz TWFYLAWXFFCFDS-FDFHNCONSA-N 1 0 473.637 4.827 20 0 JJADRO C[C@H](CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1nccs1)[NH+]1CCCCC1 ZINC001360765738 1065852034 /nfs/dbraw/zinc/85/20/34/1065852034.db2.gz XORIEFRTZJCFPF-MOPGFXCFSA-N 1 0 472.634 4.915 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCc2cccs2)n1CC[NH+]1CCCCC1 ZINC001360766886 1065854584 /nfs/dbraw/zinc/85/45/84/1065854584.db2.gz FQYXBSLKQHUPHZ-IBGZPJMESA-N 1 0 457.619 4.784 20 0 JJADRO CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001439711216 1065863889 /nfs/dbraw/zinc/86/38/89/1065863889.db2.gz RWKGBNPJVXUFNT-HSZRJFAPSA-N 1 0 457.659 4.930 20 0 JJADRO C[C@@]1(NC(=O)c2nscc2Br)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439758420 1065871862 /nfs/dbraw/zinc/87/18/62/1065871862.db2.gz RAAFKWZYSMDTJW-PGRDOPGGSA-N 1 0 456.409 4.694 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001360773972 1065872445 /nfs/dbraw/zinc/87/24/45/1065872445.db2.gz MRSPJSGXKXGUKV-FUDKSRODSA-N 1 0 473.637 4.683 20 0 JJADRO CC(C)[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001360774164 1065873143 /nfs/dbraw/zinc/87/31/43/1065873143.db2.gz OGRVFAYVDZTVSA-JIPXPUAJSA-N 1 0 487.664 4.667 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001360774826 1065875465 /nfs/dbraw/zinc/87/54/65/1065875465.db2.gz UGHBKVBJXYQLKU-HFMPRLQTSA-N 1 0 487.664 4.929 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001360774988 1065875900 /nfs/dbraw/zinc/87/59/00/1065875900.db2.gz QGSGVGZODINSME-ZWKOTPCHSA-N 1 0 499.553 4.589 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001360774986 1065876165 /nfs/dbraw/zinc/87/61/65/1065876165.db2.gz QGSGVGZODINSME-ROUUACIJSA-N 1 0 499.553 4.589 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC1([NH+](C)C)CCCC1 ZINC001360775251 1065876833 /nfs/dbraw/zinc/87/68/33/1065876833.db2.gz RQLDDXLEHNOWNF-MSOLQXFVSA-N 1 0 465.564 4.913 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001360777706 1065882040 /nfs/dbraw/zinc/88/20/40/1065882040.db2.gz DKFQRBAJNFIDJV-AQNXPRMDSA-N 1 0 461.651 4.763 20 0 JJADRO CC(C)(C)OC(=O)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CCCC1 ZINC001439819031 1065882152 /nfs/dbraw/zinc/88/21/52/1065882152.db2.gz OZXYQLRFWPNUDQ-JIMJEQGWSA-N 1 0 462.634 4.919 20 0 JJADRO CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)CC1 ZINC001360782285 1065893132 /nfs/dbraw/zinc/89/31/32/1065893132.db2.gz YKYKKTNQGQDVCI-TUSHJWFTSA-N 1 0 455.687 4.908 20 0 JJADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001440048072 1065906348 /nfs/dbraw/zinc/90/63/48/1065906348.db2.gz RZEPJQFGWIOPLN-WKAQUBQDSA-N 1 0 477.649 4.744 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(Cc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001360807797 1065920247 /nfs/dbraw/zinc/92/02/47/1065920247.db2.gz AFLDAGQXEPXCSE-UHFFFAOYSA-N 1 0 464.580 4.555 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(-c3cc(F)ccc3Br)nnc2N2CC=CCC2)C1 ZINC001360808312 1065921603 /nfs/dbraw/zinc/92/16/03/1065921603.db2.gz KMESIJWWFYRRGI-UHFFFAOYSA-N 1 0 462.411 4.735 20 0 JJADRO CC(C)(C)[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360808463 1065921624 /nfs/dbraw/zinc/92/16/24/1065921624.db2.gz MKEIKHUOHVOPLQ-JOCHJYFZSA-N 1 0 453.675 4.894 20 0 JJADRO CC(C)(C)c1nnc(N2CCC(c3ccccc3CO)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360808623 1065922183 /nfs/dbraw/zinc/92/21/83/1065922183.db2.gz QOIPFFBZQLRIRY-UHFFFAOYSA-N 1 0 453.675 4.574 20 0 JJADRO CC1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001360812930 1065925773 /nfs/dbraw/zinc/92/57/73/1065925773.db2.gz ZHHXTKVMIXMLFG-HXUWFJFHSA-N 1 0 478.106 4.840 20 0 JJADRO CC(C)(C)c1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001360817859 1065931024 /nfs/dbraw/zinc/93/10/24/1065931024.db2.gz YYKKTCCAFYCONU-UHFFFAOYSA-N 1 0 483.701 4.628 20 0 JJADRO CC1(C)CN(c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCCCC2)CC(C)(C)O1 ZINC001360819459 1065932476 /nfs/dbraw/zinc/93/24/76/1065932476.db2.gz XFIWORFCJGNHHL-UHFFFAOYSA-N 1 0 490.490 4.977 20 0 JJADRO CC1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[N@@H+]2CCC[C@H]2CO)CCS1 ZINC001360821160 1065934896 /nfs/dbraw/zinc/93/48/96/1065934896.db2.gz SHYRZDCXKVMUPT-SFHVURJKSA-N 1 0 498.524 4.821 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)[NH+]2CCCC2)c1 ZINC001440382969 1065935669 /nfs/dbraw/zinc/93/56/69/1065935669.db2.gz VAAUEMAVTGOXDO-HSZRJFAPSA-N 1 0 451.954 4.683 20 0 JJADRO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440384586 1065936040 /nfs/dbraw/zinc/93/60/40/1065936040.db2.gz KBCUKYQULLNIMO-UZLBHIALSA-N 1 0 450.004 4.508 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)Cc1ccc(Br)cc1Cl)[NH+]1CCCC1 ZINC001440386891 1065936655 /nfs/dbraw/zinc/93/66/55/1065936655.db2.gz KFROZFSEUCHZQR-LJQANCHMSA-N 1 0 451.792 4.607 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)Cc1c(Cl)cccc1Br)[NH+]1CCCC1 ZINC001440391029 1065937584 /nfs/dbraw/zinc/93/75/84/1065937584.db2.gz RDGMBIOCNMGYKC-IBGZPJMESA-N 1 0 451.792 4.607 20 0 JJADRO CC1(CCn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC001360833196 1065944830 /nfs/dbraw/zinc/94/48/30/1065944830.db2.gz TXVRSPXNBGMEFB-UHFFFAOYSA-N 1 0 485.982 4.880 20 0 JJADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001440508101 1065945431 /nfs/dbraw/zinc/94/54/31/1065945431.db2.gz JYARNTCDMGAMOQ-HYBUGGRVSA-N 1 0 451.611 4.669 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)c1cccs1 ZINC001440528633 1065947641 /nfs/dbraw/zinc/94/76/41/1065947641.db2.gz HFOXGSGXWZRHSD-PZJWPPBQSA-N 1 0 457.640 4.725 20 0 JJADRO Cc1sc(C)c(Cn2c([C@H]3CCCOC3)nnc2N2CCC([NH2+]C(C)C)CC2)c1Br ZINC001360848845 1065957808 /nfs/dbraw/zinc/95/78/08/1065957808.db2.gz HLRDWQXFJNVDHG-KRWDZBQOSA-N 1 0 496.519 4.628 20 0 JJADRO CC1CC[NH+](CCCNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001440647425 1065957984 /nfs/dbraw/zinc/95/79/84/1065957984.db2.gz ZSQSATSWJQZBRE-YADHBBJMSA-N 1 0 464.050 4.529 20 0 JJADRO Cc1sc(C)c(Cn2c([C@H]3CCCCO3)nnc2N2CCC([NH2+]C(C)C)CC2)c1Br ZINC001360848986 1065958338 /nfs/dbraw/zinc/95/83/38/1065958338.db2.gz KVFBUJGLENLCBW-LJQANCHMSA-N 1 0 496.519 4.976 20 0 JJADRO CC1=C(Br)CN(c2nnc(C(C)C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001360850845 1065962498 /nfs/dbraw/zinc/96/24/98/1065962498.db2.gz RPPKKIZIFHKWHS-LJQANCHMSA-N 1 0 450.400 4.723 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)C1 ZINC001440676365 1065963047 /nfs/dbraw/zinc/96/30/47/1065963047.db2.gz NMANMLVRBMBLOQ-SFHVURJKSA-N 1 0 456.583 4.951 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)[NH+](C)C)c1 ZINC001440677094 1065963677 /nfs/dbraw/zinc/96/36/77/1065963677.db2.gz SSXFBHFAVXSLFA-SFHVURJKSA-N 1 0 450.764 4.625 20 0 JJADRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC001360851365 1065964311 /nfs/dbraw/zinc/96/43/11/1065964311.db2.gz CSNGVLFIMINHGM-QFIPXVFZSA-N 1 0 451.611 4.657 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)[NH+](C)C)c1 ZINC001440679892 1065964411 /nfs/dbraw/zinc/96/44/11/1065964411.db2.gz XDHCWHGRHYJOFD-AREMUKBSSA-N 1 0 454.574 4.889 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001360852031 1065967076 /nfs/dbraw/zinc/96/70/76/1065967076.db2.gz VUPPNAGGYXOKTK-UHFFFAOYSA-N 1 0 462.411 4.695 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001360853166 1065968473 /nfs/dbraw/zinc/96/84/73/1065968473.db2.gz FSNABIUNFYDYSR-NRFANRHFSA-N 1 0 474.447 4.531 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001360853167 1065968532 /nfs/dbraw/zinc/96/85/32/1065968532.db2.gz FSNABIUNFYDYSR-OAQYLSRUSA-N 1 0 474.447 4.531 20 0 JJADRO Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001440709489 1065969129 /nfs/dbraw/zinc/96/91/29/1065969129.db2.gz XCBGDVUYFLJYCJ-IBGZPJMESA-N 1 0 455.484 4.552 20 0 JJADRO COc1ccc(OCC(F)(F)C(F)F)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC001440709875 1065969232 /nfs/dbraw/zinc/96/92/32/1065969232.db2.gz MWGYSJIJWAKHCX-UHFFFAOYSA-N 1 0 454.464 4.500 20 0 JJADRO CC1=C(Br)CN(c2nnc(C3CCC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001360853339 1065969348 /nfs/dbraw/zinc/96/93/48/1065969348.db2.gz JXHFOJUOCNAIIA-QGZVFWFLSA-N 1 0 450.469 4.937 20 0 JJADRO CC1=C(Br)CN(c2nnc(CC(C)C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001360853532 1065969758 /nfs/dbraw/zinc/96/97/58/1065969758.db2.gz GCBAEQSREIZHSY-FQEVSTJZSA-N 1 0 464.427 4.798 20 0 JJADRO O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC001440712830 1065970108 /nfs/dbraw/zinc/97/01/08/1065970108.db2.gz ULOKZPQFEUWQJK-UHFFFAOYSA-N 1 0 455.602 4.585 20 0 JJADRO CC1=C(Br)CN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001360853607 1065970214 /nfs/dbraw/zinc/97/02/14/1065970214.db2.gz IHGMOIVCHPUTEN-ROUUACIJSA-N 1 0 452.485 4.724 20 0 JJADRO C[C@H](C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001440714192 1065970480 /nfs/dbraw/zinc/97/04/80/1065970480.db2.gz OFLDZAWLYNGQCE-NTKDMRAZSA-N 1 0 451.014 4.622 20 0 JJADRO Cc1cccc(CCCn2c([C@H]3CCCCO3)nnc2N2CCC(C)=C(Br)C2)n1 ZINC001360854017 1065971626 /nfs/dbraw/zinc/97/16/26/1065971626.db2.gz QDCJSXWGNBGGHA-HXUWFJFHSA-N 1 0 460.420 4.735 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC001440729580 1065971623 /nfs/dbraw/zinc/97/16/23/1065971623.db2.gz VLMHOPLVPHRHAB-JOCHJYFZSA-N 1 0 458.002 4.640 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001360854138 1065972661 /nfs/dbraw/zinc/97/26/61/1065972661.db2.gz QEGWJCJXCSSDRW-UHFFFAOYSA-N 1 0 475.479 4.652 20 0 JJADRO CC1=C(Br)CN(c2nnc(COc3ccc(F)cc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001360857489 1065975031 /nfs/dbraw/zinc/97/50/31/1065975031.db2.gz ASZOYYJZTJJILO-UHFFFAOYSA-N 1 0 492.437 4.607 20 0 JJADRO Cc1cccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001360857840 1065976478 /nfs/dbraw/zinc/97/64/78/1065976478.db2.gz OFBOPCRHBFSEKW-UHFFFAOYSA-N 1 0 476.463 4.632 20 0 JJADRO Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001360858255 1065977337 /nfs/dbraw/zinc/97/73/37/1065977337.db2.gz DTFMFBICPIRVCD-SFTDATJTSA-N 1 0 498.716 4.533 20 0 JJADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001440821700 1065981340 /nfs/dbraw/zinc/98/13/40/1065981340.db2.gz AYINVYKRSHEEFT-JKSBSHDWSA-N 1 0 451.394 4.729 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1C ZINC001360865384 1065984191 /nfs/dbraw/zinc/98/41/91/1065984191.db2.gz ANEVLCGKQRKMGL-JTHBVZDNSA-N 1 0 498.716 4.506 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H]3CCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001360865570 1065984806 /nfs/dbraw/zinc/98/48/06/1065984806.db2.gz DOGLSTUGQDJICA-MZYLBHOOSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Sc4ccccc4Cl)nn3)CC2)cc1 ZINC001440863752 1065984949 /nfs/dbraw/zinc/98/49/49/1065984949.db2.gz KUXJQOFRRAGQAZ-UHFFFAOYSA-N 1 0 453.011 4.938 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H]3CCSC3)n2CCC[NH+]2CCCCC2)c1C ZINC001360865767 1065985781 /nfs/dbraw/zinc/98/57/81/1065985781.db2.gz IEVJWBDBDRUCTE-VXKWHMMOSA-N 1 0 457.688 4.853 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C)c1cccc(OC)c1 ZINC001440872640 1065986816 /nfs/dbraw/zinc/98/68/16/1065986816.db2.gz CYUPVKAVDSAOOD-DEOSSOPVSA-N 1 0 452.574 4.956 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)nc(-c2ccco2)nc1SC)c1cccc(OC)c1 ZINC001440872630 1065987028 /nfs/dbraw/zinc/98/70/28/1065987028.db2.gz CYNKGLYODOXOBX-LJQANCHMSA-N 1 0 454.596 4.588 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1nc(C(C)C)ncc1Br)c1ccccc1Cl ZINC001440872752 1065987472 /nfs/dbraw/zinc/98/74/72/1065987472.db2.gz FBPIPOOLXCRSIT-KRWDZBQOSA-N 1 0 453.812 4.829 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1nc(C(C)C)ncc1Br)c1ccccc1Cl ZINC001440872755 1065987695 /nfs/dbraw/zinc/98/76/95/1065987695.db2.gz FBPIPOOLXCRSIT-QGZVFWFLSA-N 1 0 453.812 4.829 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1)c1cccc(OC)c1 ZINC001440876355 1065987786 /nfs/dbraw/zinc/98/77/86/1065987786.db2.gz JVNRLIIVVSOHHS-AKFKNWHVSA-N 1 0 459.428 4.935 20 0 JJADRO C[NH+]1CCN(c2ccccc2NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001440881509 1065988753 /nfs/dbraw/zinc/98/87/53/1065988753.db2.gz LTWLBBQJYAFENJ-UHFFFAOYSA-N 1 0 458.647 4.584 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CCC3CCOCC3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360868635 1065992701 /nfs/dbraw/zinc/99/27/01/1065992701.db2.gz JGIIIPAOAJOXAZ-JTHBVZDNSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CCC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360868646 1065993357 /nfs/dbraw/zinc/99/33/57/1065993357.db2.gz JJBOPQBXCBRTGB-FUPPJEDESA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@H+](C)C2CCCC2)c1C ZINC001360868875 1065994256 /nfs/dbraw/zinc/99/42/56/1065994256.db2.gz CBUFDASDXSGVAG-IRLDBZIGSA-N 1 0 469.674 4.913 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360868827 1065994576 /nfs/dbraw/zinc/99/45/76/1065994576.db2.gz KLPDHZVOTZDAJG-GOTSBHOMSA-N 1 0 469.674 4.772 20 0 JJADRO CC(C)c1nc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)nn1-c1c(Cl)cccc1Cl ZINC001441005291 1065999909 /nfs/dbraw/zinc/99/99/09/1065999909.db2.gz LWPVIVLRJSJQAK-INIZCTEOSA-N 1 0 452.411 4.792 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCOCCC(C)C)c1C ZINC001360870023 1066000714 /nfs/dbraw/zinc/00/07/14/1066000714.db2.gz LYAKDBBABPHZQQ-QTJGBDASSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360872978 1066007508 /nfs/dbraw/zinc/00/75/08/1066007508.db2.gz DGMAUNFVJWUAIL-QTJGBDASSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360872974 1066007550 /nfs/dbraw/zinc/00/75/50/1066007550.db2.gz DGMAUNFVJWUAIL-JRFVFWCSSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360873252 1066008499 /nfs/dbraw/zinc/00/84/99/1066008499.db2.gz DFVFPLFZJMLJLL-FIPFOOKPSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CC(F)(F)F)c1C ZINC001360873472 1066009216 /nfs/dbraw/zinc/00/92/16/1066009216.db2.gz HRXSWPWXRITAHG-PMACEKPBSA-N 1 0 465.564 4.909 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H]4CCCC[C@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001360873621 1066009925 /nfs/dbraw/zinc/00/99/25/1066009925.db2.gz HAEWKOSZXILAIG-SMIHKQSGSA-N 1 0 469.674 4.630 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1C ZINC001360873972 1066011420 /nfs/dbraw/zinc/01/14/20/1066011420.db2.gz IYLUDAMJTIMILT-NQHRYMMQSA-N 1 0 483.701 4.898 20 0 JJADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001441181982 1066012090 /nfs/dbraw/zinc/01/20/90/1066012090.db2.gz YAEZMQKBAGVOCN-KRWDZBQOSA-N 1 0 458.628 4.685 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC001441201534 1066015108 /nfs/dbraw/zinc/01/51/08/1066015108.db2.gz WYPIBEUYZYXXPL-UHFFFAOYSA-N 1 0 451.014 4.728 20 0 JJADRO Cc1c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cnn1C ZINC001360874809 1066015433 /nfs/dbraw/zinc/01/54/33/1066015433.db2.gz UQORUZNAIWTPGJ-QHCPKHFHSA-N 1 0 493.700 4.682 20 0 JJADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001441235841 1066017336 /nfs/dbraw/zinc/01/73/36/1066017336.db2.gz DZLZEKVTJPAVPL-UHFFFAOYSA-N 1 0 455.484 4.765 20 0 JJADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1Br ZINC001441232327 1066017434 /nfs/dbraw/zinc/01/74/34/1066017434.db2.gz UXTVZMWXOAWETA-OAHLLOKOSA-N 1 0 457.290 4.742 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CC[C@@H](F)C2)c1C ZINC001360876869 1066021308 /nfs/dbraw/zinc/02/13/08/1066021308.db2.gz CFHCHHGAFWCOKZ-DNVJHFABSA-N 1 0 457.638 4.951 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360877605 1066023504 /nfs/dbraw/zinc/02/35/04/1066023504.db2.gz MMJGXYUUPIEIFL-JOCHJYFZSA-N 1 0 455.647 4.526 20 0 JJADRO C[C@H](CCOc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001441304713 1066023936 /nfs/dbraw/zinc/02/39/36/1066023936.db2.gz COCROBBGVKQAMF-XMMPIXPASA-N 1 0 457.618 4.730 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCC(C)C)c1C ZINC001360878094 1066024924 /nfs/dbraw/zinc/02/49/24/1066024924.db2.gz RQVSLKLHXSWAHO-DNQXCXABSA-N 1 0 469.674 4.630 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCCCCO)c1C ZINC001360878264 1066025468 /nfs/dbraw/zinc/02/54/68/1066025468.db2.gz STNGJIHCCUTDIT-QFIPXVFZSA-N 1 0 457.663 4.508 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC001360878872 1066027845 /nfs/dbraw/zinc/02/78/45/1066027845.db2.gz BOOJLVXDRWFMKD-DAVFGYKESA-N 1 0 469.674 4.628 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C)c1ccsc1 ZINC001441322964 1066027943 /nfs/dbraw/zinc/02/79/43/1066027943.db2.gz YKTCRXXDPIHETD-JOCHJYFZSA-N 1 0 459.656 4.970 20 0 JJADRO O=C(CCOc1cccc(Br)c1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001441326218 1066028333 /nfs/dbraw/zinc/02/83/33/1066028333.db2.gz ITXSGJIGKOUGSK-HXUWFJFHSA-N 1 0 451.792 4.825 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@H]3C)n2C[C@H](c2ccsc2)[NH+](C)C)c1C ZINC001360879071 1066028653 /nfs/dbraw/zinc/02/86/53/1066028653.db2.gz FRMFEBAVKZAQGW-SYYKKAFVSA-N 1 0 469.655 4.624 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC4(CCCCC4)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001360879134 1066028920 /nfs/dbraw/zinc/02/89/20/1066028920.db2.gz GXHDSCOVPWSFLO-QHCPKHFHSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOCC4(CC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1C ZINC001360879112 1066029074 /nfs/dbraw/zinc/02/90/74/1066029074.db2.gz GAZVIEWSADCLME-GOTSBHOMSA-N 1 0 469.674 4.628 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(Nc4nccs4)cc3F)cc2)C[C@@H](C)O1 ZINC001441329565 1066029403 /nfs/dbraw/zinc/02/94/03/1066029403.db2.gz YBRAGITUAXBXRO-IAGOWNOFSA-N 1 0 454.571 4.565 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(Nc4nccs4)cc3F)cc2)C[C@H](C)O1 ZINC001441329561 1066029422 /nfs/dbraw/zinc/02/94/22/1066029422.db2.gz YBRAGITUAXBXRO-CALCHBBNSA-N 1 0 454.571 4.565 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC001360879499 1066030657 /nfs/dbraw/zinc/03/06/57/1066030657.db2.gz LSGHPGVNLXJXHJ-QNWVGRARSA-N 1 0 499.700 4.538 20 0 JJADRO CC[C@]1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441343499 1066030804 /nfs/dbraw/zinc/03/08/04/1066030804.db2.gz RAEUWVMKMUHOLN-RDPSFJRHSA-N 1 0 450.023 4.630 20 0 JJADRO CC(C)[C@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)[NH+]1CCC(C)CC1 ZINC001441344680 1066030962 /nfs/dbraw/zinc/03/09/62/1066030962.db2.gz WIJBRTFAIUHNOQ-PKTZIBPZSA-N 1 0 451.696 4.970 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC2([NH+](C)C)CCC2)c1C ZINC001360880197 1066032714 /nfs/dbraw/zinc/03/27/14/1066032714.db2.gz XMZQQJYCLIIMBK-RTWAWAEBSA-N 1 0 455.647 4.523 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001441357316 1066032956 /nfs/dbraw/zinc/03/29/56/1066032956.db2.gz PZSGCGJWJSZTBC-OFNKIYASSA-N 1 0 455.643 4.857 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)C1 ZINC001441355481 1066032976 /nfs/dbraw/zinc/03/29/76/1066032976.db2.gz NKLOJKCQADBFLU-NSYGIPOTSA-N 1 0 457.977 4.911 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(O[C@H](C)c4ccccc4)cc3)cc2)CC1 ZINC001441362699 1066034517 /nfs/dbraw/zinc/03/45/17/1066034517.db2.gz CKRWTVAQMOKHPV-HSZRJFAPSA-N 1 0 457.618 4.894 20 0 JJADRO CC1=C(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360881580 1066034911 /nfs/dbraw/zinc/03/49/11/1066034911.db2.gz NNJJWWQDWFUWBB-UHFFFAOYSA-N 1 0 485.076 4.673 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cc(Cl)ncc2Br)C1 ZINC001441460816 1066042570 /nfs/dbraw/zinc/04/25/70/1066042570.db2.gz HGOZAANYZHEICI-GASCZTMLSA-N 1 0 450.808 4.905 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)C1 ZINC001441467942 1066043691 /nfs/dbraw/zinc/04/36/91/1066043691.db2.gz UCNVYOWWCGVTRB-VIZSFHNOSA-N 1 0 457.659 4.816 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC001441472533 1066044509 /nfs/dbraw/zinc/04/45/09/1066044509.db2.gz YJLJETOBTQZVII-PMACEKPBSA-N 1 0 456.030 4.644 20 0 JJADRO COc1ccc(C2(C(=O)NCc3ccc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)CCC2)cc1OC ZINC001441475641 1066044908 /nfs/dbraw/zinc/04/49/08/1066044908.db2.gz ANKSZLMVDVZFDR-NHCUHLMSSA-N 1 0 450.623 4.920 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3cnn4cccc(Br)c34)cc2)C1 ZINC001441475884 1066044921 /nfs/dbraw/zinc/04/49/21/1066044921.db2.gz BBTHQXBQGPGDGG-IRXDYDNUSA-N 1 0 455.400 4.505 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3ccc(OCc4ccccn4)cc3)cc2)C1 ZINC001441477802 1066045411 /nfs/dbraw/zinc/04/54/11/1066045411.db2.gz GYPMDNLDROWBMO-GOTSBHOMSA-N 1 0 457.618 4.997 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Cc3ccc(OCc4ccccn4)cc3)cc2)C1 ZINC001441477804 1066045525 /nfs/dbraw/zinc/04/55/25/1066045525.db2.gz GYPMDNLDROWBMO-ZRZAMGCNSA-N 1 0 457.618 4.997 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001441489089 1066045926 /nfs/dbraw/zinc/04/59/26/1066045926.db2.gz YDFCKLHPVLALHP-NNYJTDNRSA-N 1 0 457.659 4.864 20 0 JJADRO Cc1cccc(-n2ncc(C(=O)Nc3ccc4ccn(CC[NH+](C)C)c4c3)c2C(F)(F)F)c1 ZINC001360894994 1066047740 /nfs/dbraw/zinc/04/77/40/1066047740.db2.gz NPEXTRXLXFGQEJ-UHFFFAOYSA-N 1 0 455.484 4.968 20 0 JJADRO Cc1nc(CCn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)sc1C ZINC001360895921 1066049266 /nfs/dbraw/zinc/04/92/66/1066049266.db2.gz PGXIMRQKJIJPQL-UHFFFAOYSA-N 1 0 459.063 4.835 20 0 JJADRO Cc1nc([C@@H]2CCCN(c3nnc(CCc4ccccc4)n3CC[N@@H+](C)C(C)C)C2)sc1C ZINC001360896114 1066049722 /nfs/dbraw/zinc/04/97/22/1066049722.db2.gz UVQUOPWUHLFERO-HSZRJFAPSA-N 1 0 466.699 4.861 20 0 JJADRO Cc1nc([C@@H]2CCCN(c3nnc(COc4ccc(F)cc4)n3CC[N@@H+](C)C(C)C)C2)sc1C ZINC001360896283 1066050305 /nfs/dbraw/zinc/05/03/05/1066050305.db2.gz ZWAMBDOBSULPON-HXUWFJFHSA-N 1 0 486.661 4.794 20 0 JJADRO CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001441560715 1066051061 /nfs/dbraw/zinc/05/10/61/1066051061.db2.gz NLIFYHWDMKEDBH-NTKDMRAZSA-N 1 0 454.590 4.663 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001545942854 1066051997 /nfs/dbraw/zinc/05/19/97/1066051997.db2.gz JMEDTMKKMMLKKB-LXHIVTORSA-N 1 0 466.674 4.577 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CCOCC1 ZINC001441608920 1066053293 /nfs/dbraw/zinc/05/32/93/1066053293.db2.gz FAKDXXWMNWDTOO-HXUWFJFHSA-N 1 0 459.631 4.567 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC001441609701 1066053352 /nfs/dbraw/zinc/05/33/52/1066053352.db2.gz FYLNUFBKAHSUSR-JOCHJYFZSA-N 1 0 458.027 4.726 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c1 ZINC001441621593 1066054889 /nfs/dbraw/zinc/05/48/89/1066054889.db2.gz KDJLIFBEYDUPMK-UHFFFAOYSA-N 1 0 457.553 4.845 20 0 JJADRO Cc1nc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)sc1C ZINC001360901543 1066055019 /nfs/dbraw/zinc/05/50/19/1066055019.db2.gz UKOZAFCLKNMIEI-QGZVFWFLSA-N 1 0 472.634 4.599 20 0 JJADRO Cc1nc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[NH+](C(C)C)CC2)sc1C ZINC001360902486 1066055761 /nfs/dbraw/zinc/05/57/61/1066055761.db2.gz IJMWFNVYDNNZSU-UHFFFAOYSA-N 1 0 465.454 4.904 20 0 JJADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C3(Cc4cccc(Cl)c4)CCCC3)c2)CC1 ZINC001441656389 1066058085 /nfs/dbraw/zinc/05/80/85/1066058085.db2.gz FDYGSJSQWVEPLU-UHFFFAOYSA-N 1 0 454.014 4.779 20 0 JJADRO Cc1nc(Cn2c(Cc3ccccc3F)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)sc1C ZINC001360905412 1066059506 /nfs/dbraw/zinc/05/95/06/1066059506.db2.gz ZSPLDEDUZPKUET-UHFFFAOYSA-N 1 0 470.662 4.686 20 0 JJADRO Cc1nc(N2CCN(c3nnc(-c4ccc(Cl)cc4Cl)n3C[C@@H](C)[NH+](C)C)CC2)sc1C ZINC001360907702 1066062474 /nfs/dbraw/zinc/06/24/74/1066062474.db2.gz OAWCCXOMPUSDCP-CQSZACIVSA-N 1 0 494.496 4.602 20 0 JJADRO Cc1cc(OC(C)C)ccc1NC(=O)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001441819578 1066073365 /nfs/dbraw/zinc/07/33/65/1066073365.db2.gz QTDGGZRZUHCFFQ-HSZRJFAPSA-N 1 0 455.599 4.746 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC001441893181 1066079699 /nfs/dbraw/zinc/07/96/99/1066079699.db2.gz ZFRHOFQYVIOJFC-BDTNDASRSA-N 1 0 457.412 4.905 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360930814 1066087366 /nfs/dbraw/zinc/08/73/66/1066087366.db2.gz OEONMKQLOXYIQW-KOSHJBKYSA-N 1 0 473.618 4.532 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)C[NH+]1CCCC1 ZINC001360931074 1066088122 /nfs/dbraw/zinc/08/81/22/1066088122.db2.gz ZQFNSNUQQXKCBZ-QUCCMNQESA-N 1 0 455.578 4.827 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C1CC1)[NH+](C)C ZINC001360931994 1066088889 /nfs/dbraw/zinc/08/88/89/1066088889.db2.gz BNSHTWKWSQBVRA-HXUWFJFHSA-N 1 0 476.394 4.725 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001360932363 1066089755 /nfs/dbraw/zinc/08/97/55/1066089755.db2.gz LUASFFFJZALNJV-HXUWFJFHSA-N 1 0 475.435 4.694 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001360932255 1066089831 /nfs/dbraw/zinc/08/98/31/1066089831.db2.gz JSJIVHBWRRMSKJ-MRXNPFEDSA-N 1 0 476.597 4.680 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](C)C1CCCCC1 ZINC001360932735 1066090745 /nfs/dbraw/zinc/09/07/45/1066090745.db2.gz RJSKCRDFPQXLSD-UHFFFAOYSA-N 1 0 489.462 4.848 20 0 JJADRO Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCC(C)CC2)cnn1C ZINC001360934934 1066094007 /nfs/dbraw/zinc/09/40/07/1066094007.db2.gz QYAVHCOVVOCDQF-UHFFFAOYSA-N 1 0 463.674 4.653 20 0 JJADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2cccc(Br)c2)no1 ZINC001442111557 1066094984 /nfs/dbraw/zinc/09/49/84/1066094984.db2.gz RTBCIWGVRYWGSB-UHFFFAOYSA-N 1 0 454.368 4.746 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccccc2Br)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360935369 1066095084 /nfs/dbraw/zinc/09/50/84/1066095084.db2.gz HWNHYVJGQKMFCC-JOCHJYFZSA-N 1 0 490.471 4.683 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360935555 1066095236 /nfs/dbraw/zinc/09/52/36/1066095236.db2.gz OVWBHLCYMAIRJR-GOSISDBHSA-N 1 0 457.003 4.896 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001360944679 1066099374 /nfs/dbraw/zinc/09/93/74/1066099374.db2.gz FKLCZJGGYSDKRL-ROUUACIJSA-N 1 0 457.569 4.805 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001360944920 1066099860 /nfs/dbraw/zinc/09/98/60/1066099860.db2.gz NZSHFINQQSSHED-QZTJIDSGSA-N 1 0 487.595 4.573 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001360949427 1066104287 /nfs/dbraw/zinc/10/42/87/1066104287.db2.gz GOERZEPGUVDSQE-MSOLQXFVSA-N 1 0 472.634 4.518 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001360949438 1066104928 /nfs/dbraw/zinc/10/49/28/1066104928.db2.gz GUQXTWHJQHFFCD-AVRWGWEMSA-N 1 0 486.661 4.908 20 0 JJADRO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccc(C(C)(C)C)cc3)C(F)(F)F)CC2)CC1 ZINC001442234460 1066105906 /nfs/dbraw/zinc/10/59/06/1066105906.db2.gz SEWXPEZOYDYJPQ-QFIPXVFZSA-N 1 0 453.593 4.900 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001442247370 1066107778 /nfs/dbraw/zinc/10/77/78/1066107778.db2.gz BLTQRRLZQNSXPL-FUHIMQAGSA-N 1 0 452.039 4.779 20 0 JJADRO COc1ccccc1SCC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951705 1066108505 /nfs/dbraw/zinc/10/85/05/1066108505.db2.gz GSKUDZABLZEOAI-IBGZPJMESA-N 1 0 452.542 4.700 20 0 JJADRO O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951825 1066108570 /nfs/dbraw/zinc/10/85/70/1066108570.db2.gz KNTKIOXLTHVYRE-YSIASYRMSA-N 1 0 452.467 4.981 20 0 JJADRO COc1ccc(SCC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC001360952245 1066109136 /nfs/dbraw/zinc/10/91/36/1066109136.db2.gz ZYFMHFHHSDQWCN-IBGZPJMESA-N 1 0 452.542 4.700 20 0 JJADRO COc1nc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc2ccccc21 ZINC001360951942 1066109237 /nfs/dbraw/zinc/10/92/37/1066109237.db2.gz OLHBTAHDAQZRIQ-IBGZPJMESA-N 1 0 457.496 4.770 20 0 JJADRO CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1OCC ZINC001442284130 1066111292 /nfs/dbraw/zinc/11/12/92/1066111292.db2.gz ALINOZDXIUJNSP-WOJBJXKFSA-N 1 0 452.595 4.565 20 0 JJADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCC1 ZINC001545947978 1066111781 /nfs/dbraw/zinc/11/17/81/1066111781.db2.gz HYBLNSIRIMVYQJ-DNVFCKCGSA-N 1 0 452.647 4.504 20 0 JJADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC001545947979 1066111811 /nfs/dbraw/zinc/11/18/11/1066111811.db2.gz HYBLNSIRIMVYQJ-SELNLUPBSA-N 1 0 452.647 4.504 20 0 JJADRO Cc1c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)cnn1CC(C)C ZINC001360956794 1066112791 /nfs/dbraw/zinc/11/27/91/1066112791.db2.gz QKUQZJCDOLHHCO-JOCHJYFZSA-N 1 0 497.663 4.544 20 0 JJADRO COC(=O)Nc1ccc(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001360956482 1066112864 /nfs/dbraw/zinc/11/28/64/1066112864.db2.gz NAHDLDGUWSBCAU-GGXMVOPNSA-N 1 0 471.601 4.614 20 0 JJADRO CCc1ccccc1-n1cc(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)nn1 ZINC001442302131 1066113938 /nfs/dbraw/zinc/11/39/38/1066113938.db2.gz AUKHVERQDNFEGZ-JOCHJYFZSA-N 1 0 459.516 4.661 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)ccc1OC ZINC001360958385 1066115146 /nfs/dbraw/zinc/11/51/46/1066115146.db2.gz CSCMGRUDIGXXAG-UHFFFAOYSA-N 1 0 453.505 4.746 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)SCC(=O)N2)c1ccc(C(F)(F)F)cc1 ZINC001442307079 1066115331 /nfs/dbraw/zinc/11/53/31/1066115331.db2.gz OHGVYPBLHCUPQO-SFHVURJKSA-N 1 0 451.514 4.563 20 0 JJADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442331410 1066117111 /nfs/dbraw/zinc/11/71/11/1066117111.db2.gz RSMWDGMYUYIUGT-VQTJNVASSA-N 1 0 451.014 4.972 20 0 JJADRO C[C@H](CC(=O)N(CCCc1ccccc1)CC[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442342344 1066118188 /nfs/dbraw/zinc/11/81/88/1066118188.db2.gz KCHMQFAWWBIMDA-JOCHJYFZSA-N 1 0 459.675 4.683 20 0 JJADRO O=C(NCCCCCCC[NH+]1CCCC1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC001442346323 1066118597 /nfs/dbraw/zinc/11/85/97/1066118597.db2.gz NXCXCEOKTBIKFZ-UHFFFAOYSA-N 1 0 457.928 4.716 20 0 JJADRO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001545948562 1066120229 /nfs/dbraw/zinc/12/02/29/1066120229.db2.gz SXYCKUCZRJVNFV-UPVQGACJSA-N 1 0 466.674 4.894 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1SCc1nc(C)no1 ZINC001360961413 1066120698 /nfs/dbraw/zinc/12/06/98/1066120698.db2.gz JBEWNVOMYCQLMR-NRFANRHFSA-N 1 0 450.608 4.655 20 0 JJADRO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545948649 1066121299 /nfs/dbraw/zinc/12/12/99/1066121299.db2.gz VJSIDCJQZNZKFE-QHCPKHFHSA-N 1 0 496.700 4.806 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001360967616 1066125007 /nfs/dbraw/zinc/12/50/07/1066125007.db2.gz JCOBLXGTCILBAW-MOPGFXCFSA-N 1 0 457.537 4.508 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)[NH+](C)C)cc1 ZINC001442478215 1066130837 /nfs/dbraw/zinc/13/08/37/1066130837.db2.gz VIAOEETWQMURPS-OAQYLSRUSA-N 1 0 454.368 4.978 20 0 JJADRO Cc1ccoc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)C)CC1 ZINC001360977325 1066134764 /nfs/dbraw/zinc/13/47/64/1066134764.db2.gz MECFVTRLNGOXNV-UHFFFAOYSA-N 1 0 464.397 4.644 20 0 JJADRO Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC001442551458 1066136890 /nfs/dbraw/zinc/13/68/90/1066136890.db2.gz ZBTSTKOJDYXEAQ-UHFFFAOYSA-N 1 0 452.649 4.769 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001442591443 1066141309 /nfs/dbraw/zinc/14/13/09/1066141309.db2.gz KFGOHTNEMZIZKP-XUZZJYLKSA-N 1 0 457.659 4.921 20 0 JJADRO CCOC(=O)N1[C@H](C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC[C@H]1c1ccc(C)o1 ZINC001442592619 1066141717 /nfs/dbraw/zinc/14/17/17/1066141717.db2.gz MQVYKBOXGBBTEH-RJGXRXQPSA-N 1 0 453.583 4.512 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545950380 1066143292 /nfs/dbraw/zinc/14/32/92/1066143292.db2.gz PKANYMWFQJRUIR-WWNPGLIZSA-N 1 0 484.689 4.806 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)[NH+](C)C ZINC001360985413 1066147104 /nfs/dbraw/zinc/14/71/04/1066147104.db2.gz AAPYNEFMTXMQCL-FXAWDEMLSA-N 1 0 494.709 4.773 20 0 JJADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001442657988 1066147502 /nfs/dbraw/zinc/14/75/02/1066147502.db2.gz GVUOPMJRZHJGLL-KCZVDYSFSA-N 1 0 458.647 4.538 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360985487 1066147799 /nfs/dbraw/zinc/14/77/99/1066147799.db2.gz BVNXKLVZWMKKJR-YADHBBJMSA-N 1 0 496.681 4.576 20 0 JJADRO CN1CCC([NH+]2CCC(NC(=O)[C@@H](Sc3ccccc3Cl)c3ccccc3)CC2)CC1 ZINC001442659382 1066148156 /nfs/dbraw/zinc/14/81/56/1066148156.db2.gz CODNWLLQCNGVRC-DEOSSOPVSA-N 1 0 458.071 4.848 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccnc2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001360985596 1066148431 /nfs/dbraw/zinc/14/84/31/1066148431.db2.gz GNPSZXDRFDTWMA-WTYVLRPYSA-N 1 0 489.668 4.542 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1CC[N@H+](C)C1CCCCC1 ZINC001360985981 1066149721 /nfs/dbraw/zinc/14/97/21/1066149721.db2.gz QIAGYNGERAFYCE-UHFFFAOYSA-N 1 0 466.674 4.892 20 0 JJADRO CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001442719318 1066155318 /nfs/dbraw/zinc/15/53/18/1066155318.db2.gz IPJUNNNBQZULNP-KRWDZBQOSA-N 1 0 459.553 4.631 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442720776 1066155350 /nfs/dbraw/zinc/15/53/50/1066155350.db2.gz KACMHDDWGUCVRF-HSZRJFAPSA-N 1 0 457.590 4.762 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001442758427 1066157513 /nfs/dbraw/zinc/15/75/13/1066157513.db2.gz SNXOYONSJAIZFM-UHFFFAOYSA-N 1 0 455.643 4.754 20 0 JJADRO CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001442757008 1066157543 /nfs/dbraw/zinc/15/75/43/1066157543.db2.gz AXUVDPFYIMGDPT-LJQANCHMSA-N 1 0 456.384 4.648 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001360989378 1066160705 /nfs/dbraw/zinc/16/07/05/1066160705.db2.gz DGZUHKIWUHCTLG-LPHOPBHVSA-N 1 0 464.079 4.583 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCCCCCO ZINC001360990266 1066166967 /nfs/dbraw/zinc/16/69/67/1066166967.db2.gz RWPSMOFGCUBVSW-XPNTWCBSSA-N 1 0 490.092 4.914 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCCCCO ZINC001360990554 1066168256 /nfs/dbraw/zinc/16/82/56/1066168256.db2.gz XIMYSNZCVHHOFF-JTHBVZDNSA-N 1 0 490.092 4.916 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1=CCCOC1 ZINC001360992225 1066171282 /nfs/dbraw/zinc/17/12/82/1066171282.db2.gz LEXHDJOPPWEIFZ-FQEVSTJZSA-N 1 0 488.076 4.956 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSCC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001360992689 1066172333 /nfs/dbraw/zinc/17/23/33/1066172333.db2.gz RBQKWVKBZOQSKK-XLIONFOSSA-N 1 0 478.106 4.973 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC[C@@H]1CCOC1 ZINC001360992948 1066172583 /nfs/dbraw/zinc/17/25/83/1066172583.db2.gz WVCUBJCPXOMZFC-LEWJYISDSA-N 1 0 476.065 4.645 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC[C@H]1CCOC1 ZINC001360992951 1066172666 /nfs/dbraw/zinc/17/26/66/1066172666.db2.gz WVCUBJCPXOMZFC-SFTDATJTSA-N 1 0 476.065 4.645 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CCCC[NH+]3CCC(C)CC3)CC2)c(C)o1 ZINC001360995067 1066174041 /nfs/dbraw/zinc/17/40/41/1066174041.db2.gz LAFOAUYHHYYASC-UHFFFAOYSA-N 1 0 498.716 4.597 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[NH+](C(C)C)C(C)C)CC2)c(C)o1 ZINC001360994828 1066174063 /nfs/dbraw/zinc/17/40/63/1066174063.db2.gz BNAIVIXHGHEAGW-UHFFFAOYSA-N 1 0 486.705 4.594 20 0 JJADRO CCN(CC)c1ccc2cc(C(=O)NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)c(=O)oc2c1 ZINC001360996375 1066175217 /nfs/dbraw/zinc/17/52/17/1066175217.db2.gz INIHZIKGWMKHCF-JPYJTQIMSA-N 1 0 453.608 4.514 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@H]1c1cccs1 ZINC001360996852 1066175355 /nfs/dbraw/zinc/17/53/55/1066175355.db2.gz VDEKASGRTOSNGT-YWZLYKJASA-N 1 0 459.413 4.509 20 0 JJADRO Cc1cccc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001361008708 1066190601 /nfs/dbraw/zinc/19/06/01/1066190601.db2.gz ZZYICFJHXFEFPZ-GOTSBHOMSA-N 1 0 453.675 4.527 20 0 JJADRO Cc1cc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)c1 ZINC001361011085 1066194143 /nfs/dbraw/zinc/19/41/43/1066194143.db2.gz HYJWAVYPXHEPPM-PLQXJYEYSA-N 1 0 480.745 4.835 20 0 JJADRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1NC(=O)c1ccc(Br)cc1 ZINC001361013917 1066198820 /nfs/dbraw/zinc/19/88/20/1066198820.db2.gz ZSEIFJDJOBKLMZ-UXHICEINSA-N 1 0 458.400 4.612 20 0 JJADRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1NC(=O)c1ccc(Br)cc1 ZINC001361013916 1066198824 /nfs/dbraw/zinc/19/88/24/1066198824.db2.gz ZSEIFJDJOBKLMZ-PMACEKPBSA-N 1 0 458.400 4.612 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC001361014185 1066200102 /nfs/dbraw/zinc/20/01/02/1066200102.db2.gz JFUPZTOLGLYYOC-LJQANCHMSA-N 1 0 466.674 4.668 20 0 JJADRO Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001361021142 1066213705 /nfs/dbraw/zinc/21/37/05/1066213705.db2.gz RGGMZKUCAWACRB-DEOSSOPVSA-N 1 0 480.657 4.836 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccco3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001361021343 1066214399 /nfs/dbraw/zinc/21/43/99/1066214399.db2.gz VBJVQEAUTDGVPR-UHFFFAOYSA-N 1 0 451.615 4.968 20 0 JJADRO CC[C@@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1)OC ZINC001545951987 1066224069 /nfs/dbraw/zinc/22/40/69/1066224069.db2.gz GCZIRZCIXZWWLZ-UPVQGACJSA-N 1 0 469.674 4.915 20 0 JJADRO CC[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545952031 1066224822 /nfs/dbraw/zinc/22/48/22/1066224822.db2.gz GWTLYTLTOCXLDU-VUPIPYFASA-N 1 0 473.637 4.683 20 0 JJADRO C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001442834630 1066229069 /nfs/dbraw/zinc/22/90/69/1066229069.db2.gz CUVKKMDQLHAROK-ZCYQVOJMSA-N 1 0 455.440 4.894 20 0 JJADRO CC[C@@]1(C)CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)O1 ZINC001546056915 1066230056 /nfs/dbraw/zinc/23/00/56/1066230056.db2.gz LJJIOXVZZRMOBV-RDGATRHJSA-N 1 0 474.719 4.538 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2CCC[C@H](O)C2)c1 ZINC001361027762 1066230310 /nfs/dbraw/zinc/23/03/10/1066230310.db2.gz SLOUCVUBWCTAAD-DQEYMECFSA-N 1 0 483.701 4.582 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc(N4CCCCCC4)cc3)C2)ccn1 ZINC001454018304 1066235842 /nfs/dbraw/zinc/23/58/42/1066235842.db2.gz VJVTZPKDFAQUDJ-SANMLTNESA-N 1 0 450.627 4.596 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 ZINC001442901620 1066237915 /nfs/dbraw/zinc/23/79/15/1066237915.db2.gz BHLOZMBAIHOZQP-UHFFFAOYSA-N 1 0 451.958 4.797 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361030934 1066238692 /nfs/dbraw/zinc/23/86/92/1066238692.db2.gz BHUNKFZXJFDGOB-MUUNZHRXSA-N 1 0 483.701 4.772 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001454118172 1066247759 /nfs/dbraw/zinc/24/77/59/1066247759.db2.gz LUCBMSCUORGYKA-SZPZYZBQSA-N 1 0 457.659 4.972 20 0 JJADRO CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCCC[C@@H]3[C@@H](C)C[NH+](C)C)c2)cc1 ZINC001454118474 1066247991 /nfs/dbraw/zinc/24/79/91/1066247991.db2.gz GMFQMOOAFVRKQM-KDYSTLNUSA-N 1 0 450.623 4.980 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001361033209 1066249755 /nfs/dbraw/zinc/24/97/55/1066249755.db2.gz ZNEDYBGWSXDRCX-LADGPHEKSA-N 1 0 469.674 4.598 20 0 JJADRO CC(C)C[NH+]1CCC(C(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC001442983680 1066249949 /nfs/dbraw/zinc/24/99/49/1066249949.db2.gz AFDQLMMYYQWVME-SANMLTNESA-N 1 0 454.058 4.942 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545953388 1066250675 /nfs/dbraw/zinc/25/06/75/1066250675.db2.gz XGZYQVOVGNCDFI-XQBPLPMBSA-N 1 0 476.065 4.807 20 0 JJADRO CCN(Cc1ccoc1)C(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001443000303 1066251259 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/nfs/dbraw/zinc/25/78/01/1066257801.db2.gz MUMFNCDJVLDQSI-XMMPIXPASA-N 1 0 471.690 4.844 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001361038782 1066258369 /nfs/dbraw/zinc/25/83/69/1066258369.db2.gz OVJQEPXESCSWOC-UKILVPOCSA-N 1 0 469.674 4.600 20 0 JJADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001454268896 1066261171 /nfs/dbraw/zinc/26/11/71/1066261171.db2.gz LOHOOZGJOFGXAQ-AOMKIAJQSA-N 1 0 453.435 4.569 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001361039644 1066261548 /nfs/dbraw/zinc/26/15/48/1066261548.db2.gz OWRFHIRPTKWANA-QPPBQGQZSA-N 1 0 457.638 4.923 20 0 JJADRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308016 1066267816 /nfs/dbraw/zinc/26/78/16/1066267816.db2.gz DKQZMYNPYDXOJO-NSOVKSMOSA-N 1 0 459.609 4.726 20 0 JJADRO Cc1cc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CC[NH+](C(C)C)C(C)C)c2ccccc2n1 ZINC001361045584 1066270302 /nfs/dbraw/zinc/27/03/02/1066270302.db2.gz CIZHXDCTZVLDLZ-UHFFFAOYSA-N 1 0 494.684 4.756 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CCC[N@@H+](C(C)C)CC2)O1 ZINC001546059911 1066270951 /nfs/dbraw/zinc/27/09/51/1066270951.db2.gz SMUSSNJZKLDDKO-QFQXNSOFSA-N 1 0 487.714 4.847 20 0 JJADRO Cc1cc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@@H](C)[NH+](C)C)c2ccccc2n1 ZINC001361045901 1066272299 /nfs/dbraw/zinc/27/22/99/1066272299.db2.gz NOPYMQQDZHVUFQ-OAHLLOKOSA-N 1 0 489.571 4.864 20 0 JJADRO C[NH+](C)CCCN(C(=O)[C@@H]1Cc2cc(F)ccc2NC1=O)C(c1ccccc1)c1ccccc1 ZINC001443149645 1066273931 /nfs/dbraw/zinc/27/39/31/1066273931.db2.gz GYCDVSGYAPYDDE-XMMPIXPASA-N 1 0 459.565 4.506 20 0 JJADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cnn(-c2ccccc2)c1Br ZINC001443152217 1066274447 /nfs/dbraw/zinc/27/44/47/1066274447.db2.gz AQECLSDKZIAQPS-OAQYLSRUSA-N 1 0 453.384 4.592 20 0 JJADRO Cc1cc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361046159 1066274536 /nfs/dbraw/zinc/27/45/36/1066274536.db2.gz XNDZZUFBCJDWNN-VXKWHMMOSA-N 1 0 464.658 4.641 20 0 JJADRO CC(C)(C)OC(=O)NCCc1ccc(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC001443161322 1066275720 /nfs/dbraw/zinc/27/57/20/1066275720.db2.gz JIKJWHJPAJFKLI-XMMPIXPASA-N 1 0 451.611 4.711 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC001443163772 1066275989 /nfs/dbraw/zinc/27/59/89/1066275989.db2.gz LPJLLZCFNKJNGF-RBZQAINGSA-N 1 0 455.643 4.613 20 0 JJADRO C[NH+]1CCN(Cc2cccc(CNC(=O)CSc3cccc4cccc(Cl)c43)c2)CC1 ZINC001443159306 1066276054 /nfs/dbraw/zinc/27/60/54/1066276054.db2.gz YMNPNCBPIVEPJZ-UHFFFAOYSA-N 1 0 454.039 4.649 20 0 JJADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001443166220 1066276717 /nfs/dbraw/zinc/27/67/17/1066276717.db2.gz OLDJYKHEDUVCBV-NRFANRHFSA-N 1 0 458.393 4.590 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399279 1066277172 /nfs/dbraw/zinc/27/71/72/1066277172.db2.gz FENDNXJOOBGAEV-HUVFLSCGSA-N 1 0 451.611 4.669 20 0 JJADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396035 1066277318 /nfs/dbraw/zinc/27/73/18/1066277318.db2.gz BGETZDSLOJZXBZ-HNAYVOBHSA-N 1 0 454.924 4.583 20 0 JJADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001454396549 1066277675 /nfs/dbraw/zinc/27/76/75/1066277675.db2.gz BSUDSPQPZUDIIJ-HTAPYJJXSA-N 1 0 457.496 4.816 20 0 JJADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC001443185620 1066278049 /nfs/dbraw/zinc/27/80/49/1066278049.db2.gz MIFGYPNDKBWADV-OAHLLOKOSA-N 1 0 453.808 4.980 20 0 JJADRO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC001454404741 1066278870 /nfs/dbraw/zinc/27/88/70/1066278870.db2.gz MQXHQKIRJKFUEW-MGPUTAFESA-N 1 0 458.393 4.523 20 0 JJADRO Cc1cc(-c2nnc(N(C)CCCCCO)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001361048799 1066279174 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/nfs/dbraw/zinc/30/68/12/1066306812.db2.gz SXLZEYCVCWQDOF-IBGZPJMESA-N 1 0 473.021 4.564 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001546063738 1066309078 /nfs/dbraw/zinc/30/90/78/1066309078.db2.gz BKKKDTOWKJZDAC-NVQXNPDNSA-N 1 0 455.647 4.709 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001546063742 1066309393 /nfs/dbraw/zinc/30/93/93/1066309393.db2.gz BLRRNLPSGYVQIP-UGKGYDQZSA-N 1 0 464.427 4.813 20 0 JJADRO Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC([NH2+]C(C)C)CC2)ccc1F ZINC001361070269 1066309551 /nfs/dbraw/zinc/30/95/51/1066309551.db2.gz HAULVBWEYYUNFL-UHFFFAOYSA-N 1 0 489.437 4.509 20 0 JJADRO Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC(C)(C)C)cc(N2CCCC2)[nH+]1 ZINC001361072051 1066312469 /nfs/dbraw/zinc/31/24/69/1066312469.db2.gz UKRGDEIPKOOIKH-UHFFFAOYSA-N 1 0 486.462 4.870 20 0 JJADRO C[NH+]1CCN(c2ccnc(NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nc3)c2)CC1 ZINC001454651446 1066315095 /nfs/dbraw/zinc/31/50/95/1066315095.db2.gz VMXUONHCCSHWCU-UHFFFAOYSA-N 1 0 458.349 4.580 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001545959478 1066315340 /nfs/dbraw/zinc/31/53/40/1066315340.db2.gz WPFKDXVZKGCPAT-LJQANCHMSA-N 1 0 451.537 4.607 20 0 JJADRO C[C@@H](CNC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)N1CC[NH+](C)CC1 ZINC001443469670 1066315676 /nfs/dbraw/zinc/31/56/76/1066315676.db2.gz YWDPNSFJKUPHAQ-INIZCTEOSA-N 1 0 452.451 4.651 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001545959107 1066316905 /nfs/dbraw/zinc/31/69/05/1066316905.db2.gz PQRNWPRVTGKYCL-RBUKOAKNSA-N 1 0 451.537 4.607 20 0 JJADRO CC[NH+]1CCN(CCNC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1 ZINC001443502057 1066319493 /nfs/dbraw/zinc/31/94/93/1066319493.db2.gz YIIQFGIMAYFXNK-UHFFFAOYSA-N 1 0 458.027 4.746 20 0 JJADRO CC[NH+](CC)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001443517463 1066322411 /nfs/dbraw/zinc/32/24/11/1066322411.db2.gz KRUFKOXLSNMYEI-PGRDOPGGSA-N 1 0 452.014 4.500 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001361087217 1066325822 /nfs/dbraw/zinc/32/58/22/1066325822.db2.gz CDJDLRJYBCEZRU-FQEVSTJZSA-N 1 0 490.092 4.740 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H]2CCSC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001361087304 1066326405 /nfs/dbraw/zinc/32/64/05/1066326405.db2.gz GHAFGVUJAFWPLR-PZJWPPBQSA-N 1 0 478.106 4.678 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCC(C)C ZINC001361088033 1066328866 /nfs/dbraw/zinc/32/88/66/1066328866.db2.gz FFRCZHDEUGTZDT-IRLDBZIGSA-N 1 0 460.066 4.971 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001443551706 1066328936 /nfs/dbraw/zinc/32/89/36/1066328936.db2.gz OZWHTPYRYWWWIH-GOTSBHOMSA-N 1 0 457.659 4.973 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001361088639 1066332162 /nfs/dbraw/zinc/33/21/62/1066332162.db2.gz KNRIRQQJWIHNQN-SZPZYZBQSA-N 1 0 490.092 4.741 20 0 JJADRO COc1cccc(-c2nc(C)c(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)[nH]2)c1 ZINC001443585416 1066332648 /nfs/dbraw/zinc/33/26/48/1066332648.db2.gz ZUSDKIXQHSFZAQ-UHFFFAOYSA-N 1 0 452.986 4.689 20 0 JJADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@@]3(C)Cc3ccc(F)c(Cl)c3)CC2)c1 ZINC001454784016 1066333917 /nfs/dbraw/zinc/33/39/17/1066333917.db2.gz FMSWYPKEOZIYCJ-SANMLTNESA-N 1 0 458.021 4.923 20 0 JJADRO C[N@H+](CCN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1)Cc1ccccc1 ZINC001443590889 1066334250 /nfs/dbraw/zinc/33/42/50/1066334250.db2.gz ZLDSWGSRXLOHPW-UHFFFAOYSA-N 1 0 454.039 4.958 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001545960486 1066335771 /nfs/dbraw/zinc/33/57/71/1066335771.db2.gz DYCYLUMSSGCOQN-XYJFISCASA-N 1 0 496.881 4.849 20 0 JJADRO Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001454854926 1066336344 /nfs/dbraw/zinc/33/63/44/1066336344.db2.gz SUNMGDYHACMQNQ-ISKFKSNPSA-N 1 0 451.611 4.732 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001361089534 1066336330 /nfs/dbraw/zinc/33/63/30/1066336330.db2.gz WSDNIAXTIBCIIW-HXUWFJFHSA-N 1 0 458.006 4.748 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001546066094 1066339140 /nfs/dbraw/zinc/33/91/40/1066339140.db2.gz GTOABWWCIJIQQM-NIYFSFCBSA-N 1 0 455.647 4.850 20 0 JJADRO CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443629094 1066339771 /nfs/dbraw/zinc/33/97/71/1066339771.db2.gz DLOZEWBCHMSTDL-JNCYCUAHSA-N 1 0 456.030 4.859 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001546066486 1066341495 /nfs/dbraw/zinc/34/14/95/1066341495.db2.gz OUDMECCAKFYRAK-AUSIDOKSSA-N 1 0 476.463 4.683 20 0 JJADRO Cc1ccc(C)n1-c1sccc1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443635839 1066342368 /nfs/dbraw/zinc/34/23/68/1066342368.db2.gz RCBJGBOLLUSOQS-UHFFFAOYSA-N 1 0 457.043 4.751 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](C(C)C)CC2)n1CCC1CCOCC1 ZINC001361092133 1066342902 /nfs/dbraw/zinc/34/29/02/1066342902.db2.gz ZRGXVFYCRFPWDX-UHFFFAOYSA-N 1 0 490.092 4.599 20 0 JJADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2nn(-c3ccccc3F)cc2Br)c1 ZINC001443649383 1066344705 /nfs/dbraw/zinc/34/47/05/1066344705.db2.gz XRXOJFFOBORAKX-UHFFFAOYSA-N 1 0 459.363 4.544 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(CC)CC1CC1)[NH+]1CCCC1 ZINC001545960893 1066345498 /nfs/dbraw/zinc/34/54/98/1066345498.db2.gz LPSORCRMAWOOPI-INIZCTEOSA-N 1 0 452.466 4.880 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(CC)CC1CC1)[NH+]1CCCC1 ZINC001545960894 1066346345 /nfs/dbraw/zinc/34/63/45/1066346345.db2.gz LPSORCRMAWOOPI-MRXNPFEDSA-N 1 0 452.466 4.880 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001454974622 1066348703 /nfs/dbraw/zinc/34/87/03/1066348703.db2.gz KGSPDTWMAJDZAJ-IBGZPJMESA-N 1 0 451.489 4.727 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005893 1066351921 /nfs/dbraw/zinc/35/19/21/1066351921.db2.gz ABGRPQPZRANWBX-CRAIPNDOSA-N 1 0 451.792 4.569 20 0 JJADRO Cc1cccc(N(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361102848 1066352879 /nfs/dbraw/zinc/35/28/79/1066352879.db2.gz HVBZGBOVTCJLIF-WOJBJXKFSA-N 1 0 453.656 4.895 20 0 JJADRO Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361103154 1066353215 /nfs/dbraw/zinc/35/32/15/1066353215.db2.gz UCHZONPYDNIJPU-SFTDATJTSA-N 1 0 480.682 4.714 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012602 1066353677 /nfs/dbraw/zinc/35/36/77/1066353677.db2.gz PVHASTWWMYLSJM-OYDLWJJNSA-N 1 0 451.611 4.588 20 0 JJADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(Br)cc(Br)c3)C2)cc1 ZINC001455015523 1066354311 /nfs/dbraw/zinc/35/43/11/1066354311.db2.gz VWYXTJYBVNTDBO-SFHVURJKSA-N 1 0 452.190 4.524 20 0 JJADRO COC(=O)CCSCc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC001443704984 1066354444 /nfs/dbraw/zinc/35/44/44/1066354444.db2.gz SVKABXQFYDNNFR-HXUWFJFHSA-N 1 0 454.636 4.765 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)C[C@H]3CCCC[N@@H+]3Cc3ccccc3)c2)n1 ZINC001455083025 1066358626 /nfs/dbraw/zinc/35/86/26/1066358626.db2.gz VTVWGEGPTAAYEC-HSZRJFAPSA-N 1 0 459.594 4.669 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001546068601 1066359933 /nfs/dbraw/zinc/35/99/33/1066359933.db2.gz SILLYVGBILBSJQ-DVECYGJZSA-N 1 0 490.490 4.691 20 0 JJADRO Cc1cccc(OCCN(C)c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001361110928 1066360300 /nfs/dbraw/zinc/36/03/00/1066360300.db2.gz UEOGUXJWPVAXGS-QFIPXVFZSA-N 1 0 451.615 4.829 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCCSC)[NH+]1CCCC1 ZINC001545961529 1066360775 /nfs/dbraw/zinc/36/07/75/1066360775.db2.gz XOJUCGICSCNDFD-IBGZPJMESA-N 1 0 466.493 4.771 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001361112847 1066364010 /nfs/dbraw/zinc/36/40/10/1066364010.db2.gz ADWNXZLNCBQXNQ-QFIPXVFZSA-N 1 0 482.698 4.578 20 0 JJADRO CCC[N@H+](CC)Cc1ccc(C(=O)NC2(c3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001455138202 1066364598 /nfs/dbraw/zinc/36/45/98/1066364598.db2.gz PCRDRHOVBUWUCK-UHFFFAOYSA-N 1 0 451.611 4.795 20 0 JJADRO Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCCC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001361117324 1066368661 /nfs/dbraw/zinc/36/86/61/1066368661.db2.gz DZNMBVXNQNQJLX-FQEVSTJZSA-N 1 0 486.730 4.825 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNC(=O)[C@@H]1CCN(c2ccccc2F)C1)C1CCCC1 ZINC001361118961 1066370551 /nfs/dbraw/zinc/37/05/51/1066370551.db2.gz LJXKLXJTBXMZQD-JOCHJYFZSA-N 1 0 453.602 4.612 20 0 JJADRO C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001443828971 1066373371 /nfs/dbraw/zinc/37/33/71/1066373371.db2.gz ZGEOVDUNQGWXJA-ZOWSBLFVSA-N 1 0 455.643 4.738 20 0 JJADRO C[NH+](C)CCc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cc1 ZINC001443840337 1066374556 /nfs/dbraw/zinc/37/45/56/1066374556.db2.gz KBKPXZHSWFIQMJ-UHFFFAOYSA-N 1 0 457.361 4.997 20 0 JJADRO CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1C(F)F ZINC001443845342 1066375193 /nfs/dbraw/zinc/37/51/93/1066375193.db2.gz HJGCSTKFQGHEAV-UHFFFAOYSA-N 1 0 454.827 4.706 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001443851178 1066376396 /nfs/dbraw/zinc/37/63/96/1066376396.db2.gz QDLUBNHMMKPGAH-GFCCVEGCSA-N 1 0 459.743 4.588 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)s2)cc1 ZINC001443858978 1066376994 /nfs/dbraw/zinc/37/69/94/1066376994.db2.gz HRFBFUDKZQHCPS-UHFFFAOYSA-N 1 0 451.592 4.532 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)cc1Cl ZINC001443853694 1066377011 /nfs/dbraw/zinc/37/70/11/1066377011.db2.gz YUTXMYXLUQIKOC-UHFFFAOYSA-N 1 0 454.836 4.602 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H]([C@@H]4CCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361125743 1066379050 /nfs/dbraw/zinc/37/90/50/1066379050.db2.gz BTOGEESZTIAFAU-DHIUTWEWSA-N 1 0 483.701 4.740 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H]([C@@H]4CCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361125746 1066379102 /nfs/dbraw/zinc/37/91/02/1066379102.db2.gz BTOGEESZTIAFAU-XZOQPEGZSA-N 1 0 483.701 4.740 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(F)(F)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001361126845 1066386323 /nfs/dbraw/zinc/38/63/23/1066386323.db2.gz ABBOOABIVGHSAG-HXUWFJFHSA-N 1 0 461.601 4.866 20 0 JJADRO CC(C)(C)OC(=O)Nc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)ccc1F ZINC001443924015 1066386322 /nfs/dbraw/zinc/38/63/22/1066386322.db2.gz GWXBWQULWIHMOA-UHFFFAOYSA-N 1 0 451.608 4.654 20 0 JJADRO Cc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C)n1[C@@H](C)c1ccccc1 ZINC001443942141 1066386878 /nfs/dbraw/zinc/38/68/78/1066386878.db2.gz WNPSQQJLOIOCPX-NRFANRHFSA-N 1 0 458.606 4.792 20 0 JJADRO O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001443961626 1066388039 /nfs/dbraw/zinc/38/80/39/1066388039.db2.gz HIYGKGIAVBYOFX-HSZRJFAPSA-N 1 0 451.517 4.799 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCC[C@H](O)C2)c1 ZINC001361128278 1066391663 /nfs/dbraw/zinc/39/16/63/1066391663.db2.gz VXWUNXRAFYIZIG-VWNXMTODSA-N 1 0 483.701 4.807 20 0 JJADRO CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456004 1066392737 /nfs/dbraw/zinc/39/27/37/1066392737.db2.gz MXPNIBSDIOBXKJ-DNQXCXABSA-N 1 0 459.556 4.578 20 0 JJADRO CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461361 1066393608 /nfs/dbraw/zinc/39/36/08/1066393608.db2.gz CNHKUDLJUTZEDM-CUNXSJBXSA-N 1 0 451.630 4.764 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCc2nccs2)c1 ZINC001361129825 1066393873 /nfs/dbraw/zinc/39/38/73/1066393873.db2.gz DZJJSCRTJCWMGD-UHFFFAOYSA-N 1 0 482.698 4.909 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361130805 1066396484 /nfs/dbraw/zinc/39/64/84/1066396484.db2.gz ROCRHPQDNMXUIF-RJGXRXQPSA-N 1 0 469.674 4.634 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001361131194 1066398250 /nfs/dbraw/zinc/39/82/50/1066398250.db2.gz BBFIZOHKBBTQIU-DENIHFKCSA-N 1 0 457.688 4.571 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC(C)(C)C3)n2CC[NH+]2CCSCC2)c1 ZINC001361131567 1066399307 /nfs/dbraw/zinc/39/93/07/1066399307.db2.gz LAHHMPKHVGYKMH-UHFFFAOYSA-N 1 0 489.755 4.670 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361132498 1066403294 /nfs/dbraw/zinc/40/32/94/1066403294.db2.gz ZMZDMODDECEKQX-SZPZYZBQSA-N 1 0 457.663 4.633 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)=C(Br)C1)[NH+]1CCCC1 ZINC001545964252 1066403921 /nfs/dbraw/zinc/40/39/21/1066403921.db2.gz ALGSMKKORMEPOP-KRWDZBQOSA-N 1 0 479.854 4.747 20 0 JJADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001444092031 1066404744 /nfs/dbraw/zinc/40/47/44/1066404744.db2.gz QQOXFHZTYDUMNX-URXFXBBRSA-N 1 0 451.611 4.717 20 0 JJADRO CCc1ccccc1O[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC001444092230 1066404856 /nfs/dbraw/zinc/40/48/56/1066404856.db2.gz WHYGRMSBIHEAEC-MUUNZHRXSA-N 1 0 458.602 4.642 20 0 JJADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc(OCc2ccccc2)ccn1 ZINC001444128870 1066410336 /nfs/dbraw/zinc/41/03/36/1066410336.db2.gz GUQMOTRDMVQFOE-NRFANRHFSA-N 1 0 455.480 4.684 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC001361138508 1066413675 /nfs/dbraw/zinc/41/36/75/1066413675.db2.gz AZRYYEJHZGYQBT-GMAHTHKFSA-N 1 0 453.656 4.790 20 0 JJADRO Cc1c(CN(C)c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cnn1C ZINC001361139279 1066414325 /nfs/dbraw/zinc/41/43/25/1066414325.db2.gz HNIBUNSRYUHXCY-XMMPIXPASA-N 1 0 463.674 4.691 20 0 JJADRO Cc1ccc([C@@H](Cn2c(C3CC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361139146 1066414393 /nfs/dbraw/zinc/41/43/93/1066414393.db2.gz FUKQGEGFPBHZNK-XZOQPEGZSA-N 1 0 482.673 4.603 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361139752 1066415918 /nfs/dbraw/zinc/41/59/18/1066415918.db2.gz OSCJFLPFCFWGDA-HOFKKMOUSA-N 1 0 462.642 4.593 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccccn3)nnc2N(C)C[C@H](C)c2nccs2)[NH+](C)C)cc1 ZINC001361140326 1066417231 /nfs/dbraw/zinc/41/72/31/1066417231.db2.gz YROPQYDXOULPLA-SIKLNZKXSA-N 1 0 461.639 4.648 20 0 JJADRO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC001455640334 1066418004 /nfs/dbraw/zinc/41/80/04/1066418004.db2.gz JRDNYKAVLMWEEF-KKSFZXQISA-N 1 0 463.409 4.753 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001545965307 1066420959 /nfs/dbraw/zinc/42/09/59/1066420959.db2.gz VHAYJFNHEPDVSY-PXNSSMCTSA-N 1 0 484.998 4.546 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC001361141663 1066421761 /nfs/dbraw/zinc/42/17/61/1066421761.db2.gz PUJLUXQHQNGLDR-SQHAQQRYSA-N 1 0 497.709 4.936 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC001361141661 1066421970 /nfs/dbraw/zinc/42/19/70/1066421970.db2.gz PUJLUXQHQNGLDR-RPLLCQBOSA-N 1 0 497.709 4.936 20 0 JJADRO Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1I ZINC001444163039 1066422678 /nfs/dbraw/zinc/42/26/78/1066422678.db2.gz FJCFOLPSMUNKMO-MSOLQXFVSA-N 1 0 454.396 4.635 20 0 JJADRO CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001444163957 1066423638 /nfs/dbraw/zinc/42/36/38/1066423638.db2.gz HASKHUBHYFRFBW-IDISGSTGSA-N 1 0 459.675 4.775 20 0 JJADRO Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)c(C[NH+](C)C)c1 ZINC001444163991 1066423670 /nfs/dbraw/zinc/42/36/70/1066423670.db2.gz HFNLTIIMZCFGEW-UHFFFAOYSA-N 1 0 455.555 4.557 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361145665 1066429507 /nfs/dbraw/zinc/42/95/07/1066429507.db2.gz FOVHPUCAMUAFNN-IRLDBZIGSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361145696 1066429673 /nfs/dbraw/zinc/42/96/73/1066429673.db2.gz GODIYOCSWMHIML-FQEVSTJZSA-N 1 0 467.580 4.983 20 0 JJADRO C[C@H]1CCC[C@H](C)N(C(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001444217576 1066430954 /nfs/dbraw/zinc/43/09/54/1066430954.db2.gz JPRHVJQPXVASNZ-VXKWHMMOSA-N 1 0 457.659 4.973 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361148730 1066436849 /nfs/dbraw/zinc/43/68/49/1066436849.db2.gz UVEUFAYJEWJFRE-QTJGBDASSA-N 1 0 469.674 4.600 20 0 JJADRO CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001455828128 1066439628 /nfs/dbraw/zinc/43/96/28/1066439628.db2.gz MWRNRLJYRAHYDA-ZFILCQGISA-N 1 0 450.623 4.695 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001361151750 1066443811 /nfs/dbraw/zinc/44/38/11/1066443811.db2.gz LFXSEFUNGJRAQX-NRFANRHFSA-N 1 0 481.641 4.764 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC001444292831 1066443961 /nfs/dbraw/zinc/44/39/61/1066443961.db2.gz HGUGYANGLPIGHF-NQIIRXRSSA-N 1 0 453.583 4.864 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001361152714 1066447140 /nfs/dbraw/zinc/44/71/40/1066447140.db2.gz PYTLTBFGVUFKEV-GOSISDBHSA-N 1 0 453.553 4.593 20 0 JJADRO COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC001455906467 1066448794 /nfs/dbraw/zinc/44/87/94/1066448794.db2.gz VEXCATACUIQPTI-UHFFFAOYSA-N 1 0 452.595 4.789 20 0 JJADRO CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444325408 1066449332 /nfs/dbraw/zinc/44/93/32/1066449332.db2.gz VWZGWVJBLUYAFZ-WXFUMESZSA-N 1 0 455.643 4.679 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)C1CCCCC1)[NH+]1CCCC1 ZINC001545966819 1066450297 /nfs/dbraw/zinc/45/02/97/1066450297.db2.gz KYTJTXRSJOHGKB-HXUWFJFHSA-N 1 0 455.647 4.996 20 0 JJADRO C[NH+](C)CCc1ccc(C(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 ZINC001444335205 1066451193 /nfs/dbraw/zinc/45/11/93/1066451193.db2.gz CIKLFGOINUQELR-UHFFFAOYSA-N 1 0 458.602 4.805 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC001444346802 1066453060 /nfs/dbraw/zinc/45/30/60/1066453060.db2.gz IRUQREOLZBTVES-QFIPXVFZSA-N 1 0 450.410 4.834 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(=O)OC(C)(C)C)o3)cc2)CC1 ZINC001444358857 1066454358 /nfs/dbraw/zinc/45/43/58/1066454358.db2.gz ZDAWCSITOSGDKZ-ACCUITESSA-N 1 0 453.583 4.665 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCC[NH+]2CCCC2)c1 ZINC001361156009 1066456787 /nfs/dbraw/zinc/45/67/87/1066456787.db2.gz KMEMIHWIOOOUSA-FQEVSTJZSA-N 1 0 465.564 4.739 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CCOC(C)C)c1 ZINC001361156011 1066456962 /nfs/dbraw/zinc/45/69/62/1066456962.db2.gz KOUDWZDMJUMQPO-RUZDIDTESA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[C@H]2C[C@H](F)C2)c1 ZINC001361158922 1066461808 /nfs/dbraw/zinc/46/18/08/1066461808.db2.gz IQEQHOSXJZNOEM-HZCBDIJESA-N 1 0 457.638 4.923 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361158980 1066462722 /nfs/dbraw/zinc/46/27/22/1066462722.db2.gz KUILTYIKZQVUGB-JTHBVZDNSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCO[C@@H]2CCCC[C@H]2C)c1 ZINC001361159230 1066463925 /nfs/dbraw/zinc/46/39/25/1066463925.db2.gz SXPAOIOWPQIODV-ILBGXUMGSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCO[C@@H]2CCCC[C@H]2C)c1 ZINC001361159926 1066465842 /nfs/dbraw/zinc/46/58/42/1066465842.db2.gz OMVFVBMOFLRIOU-ISKFKSNPSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001455980899 1066465905 /nfs/dbraw/zinc/46/59/05/1066465905.db2.gz CORTWUCCCRUFEZ-UHFFFAOYSA-N 1 0 458.575 4.617 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)F)cc2F)CC1 ZINC001455982959 1066466589 /nfs/dbraw/zinc/46/65/89/1066466589.db2.gz HHTSVGNEPSFDGW-UHFFFAOYSA-N 1 0 457.500 4.732 20 0 JJADRO CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)co1 ZINC001361161457 1066467189 /nfs/dbraw/zinc/46/71/89/1066467189.db2.gz YVWFAUNRPUWJMT-KDFWIBFYSA-N 1 0 450.579 4.763 20 0 JJADRO C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001444506209 1066469303 /nfs/dbraw/zinc/46/93/03/1066469303.db2.gz UFWIOVQJGBIKHW-NRFANRHFSA-N 1 0 455.643 4.822 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361163388 1066472651 /nfs/dbraw/zinc/47/26/51/1066472651.db2.gz XOLXRYRXCWYASI-ILBGXUMGSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361163545 1066473271 /nfs/dbraw/zinc/47/32/71/1066473271.db2.gz NPDHPPCKHMQFTL-YADHBBJMSA-N 1 0 457.688 4.536 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361163541 1066473308 /nfs/dbraw/zinc/47/33/08/1066473308.db2.gz NPDHPPCKHMQFTL-FGZHOGPDSA-N 1 0 457.688 4.536 20 0 JJADRO O=C(CCOc1cc(Cl)cc(Cl)c1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001444540370 1066473475 /nfs/dbraw/zinc/47/34/75/1066473475.db2.gz JJWJHJYDASZCDU-UHFFFAOYSA-N 1 0 455.357 4.561 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361164119 1066474769 /nfs/dbraw/zinc/47/47/69/1066474769.db2.gz WCMUREPAPUUNEB-OAQYLSRUSA-N 1 0 457.688 4.538 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CC2)cc1 ZINC001361166216 1066477201 /nfs/dbraw/zinc/47/72/01/1066477201.db2.gz QGXRGYRSDRUBAK-JOCHJYFZSA-N 1 0 494.709 4.647 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC001361166584 1066477679 /nfs/dbraw/zinc/47/76/79/1066477679.db2.gz YKSNPGDOYWQMOY-OAQYLSRUSA-N 1 0 456.677 4.915 20 0 JJADRO COc1cc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)ccc1OCc1ccccc1Cl ZINC001456024204 1066479872 /nfs/dbraw/zinc/47/98/72/1066479872.db2.gz IQXHLFCREMDQSW-QFIPXVFZSA-N 1 0 453.970 4.745 20 0 JJADRO Cc1ccc([C@]2(O)CCN(c3nnc(CC4CCCC4)n3CC[NH+](C(C)C)C(C)C)C2)cc1 ZINC001361167416 1066480609 /nfs/dbraw/zinc/48/06/09/1066480609.db2.gz PGSIIDSBUYSSOL-MHZLTWQESA-N 1 0 453.675 4.536 20 0 JJADRO Cc1ccc([C@@]2(O)CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C2)cc1 ZINC001361167774 1066481427 /nfs/dbraw/zinc/48/14/27/1066481427.db2.gz WIBBJWHBVYPVDD-DOUCHOMGSA-N 1 0 497.728 4.579 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C[C@H]1C ZINC001444614550 1066483702 /nfs/dbraw/zinc/48/37/02/1066483702.db2.gz KJNZAWABGGQZKL-UYAOXDASSA-N 1 0 455.002 4.600 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cccc(C(F)(F)F)c3F)CC2)c1C ZINC001456034640 1066484986 /nfs/dbraw/zinc/48/49/86/1066484986.db2.gz AEIHJXPIRCUPRC-UHFFFAOYSA-N 1 0 453.480 4.602 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3sc(C4CCCC4)nc3C)CC2)c1C ZINC001456037428 1066486422 /nfs/dbraw/zinc/48/64/22/1066486422.db2.gz HTWNMOWJODLWNH-UHFFFAOYSA-N 1 0 456.656 4.866 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H]3CCCN(c4ccccc4)C3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361170993 1066486486 /nfs/dbraw/zinc/48/64/86/1066486486.db2.gz KTPHCRGXPRVHCZ-ZEQRLZLVSA-N 1 0 464.658 4.928 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)/C=C\c3cnc(C(C)(C)C)s3)CC2)c1C ZINC001456038881 1066487107 /nfs/dbraw/zinc/48/71/07/1066487107.db2.gz OIHRRWNVFZPNHZ-HJWRWDBZSA-N 1 0 456.656 4.597 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Cc3csc4sc(C)cc34)CC2)c1C ZINC001456038258 1066487129 /nfs/dbraw/zinc/48/71/29/1066487129.db2.gz MDBGQUVOHJARBV-UHFFFAOYSA-N 1 0 457.665 4.957 20 0 JJADRO O=C(/C=C\CCc1ccccc1)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC001444648440 1066488104 /nfs/dbraw/zinc/48/81/04/1066488104.db2.gz KFKIITPZPYPXBQ-UITAMQMPSA-N 1 0 457.412 4.598 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)o1 ZINC001361172004 1066488677 /nfs/dbraw/zinc/48/86/77/1066488677.db2.gz XYZLWQPRVQTBQN-TZIWHRDSSA-N 1 0 499.681 4.568 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)CC2)c1C ZINC001456041795 1066488789 /nfs/dbraw/zinc/48/87/89/1066488789.db2.gz WYSRFPKCQIEQOI-RZPHLTDDSA-N 1 0 459.675 4.607 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2CC2CC[NH+](C3CC3)CC2)cc1Br ZINC001361175637 1066493528 /nfs/dbraw/zinc/49/35/28/1066493528.db2.gz TUFJNOFQXHBUPC-UHFFFAOYSA-N 1 0 486.380 4.889 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001456052240 1066493884 /nfs/dbraw/zinc/49/38/84/1066493884.db2.gz DGVNXAVMEWHWDZ-UHFFFAOYSA-N 1 0 455.908 4.747 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC001456052052 1066493979 /nfs/dbraw/zinc/49/39/79/1066493979.db2.gz CMRBAKNEYPIGBF-UHFFFAOYSA-N 1 0 457.880 4.655 20 0 JJADRO O=C(Cc1coc(-c2cccs2)n1)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001361176398 1066494487 /nfs/dbraw/zinc/49/44/87/1066494487.db2.gz MZAXYHKTTAWQCF-UHFFFAOYSA-N 1 0 452.580 4.789 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001456054828 1066495138 /nfs/dbraw/zinc/49/51/38/1066495138.db2.gz JAYCCCKAISAMOK-UHFFFAOYSA-N 1 0 451.945 4.929 20 0 JJADRO Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc1 ZINC001456055395 1066496053 /nfs/dbraw/zinc/49/60/53/1066496053.db2.gz YDRRGZWWNFNDPR-RUZDIDTESA-N 1 0 459.615 4.781 20 0 JJADRO COc1ccc([C@H](NC(=O)CCCN2CC[NH+](C(C)C)CC2)c2ccccc2Cl)c(C)c1 ZINC001444710682 1066496636 /nfs/dbraw/zinc/49/66/36/1066496636.db2.gz ZFONDVXNTNJBCH-SANMLTNESA-N 1 0 458.046 4.669 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361178745 1066499422 /nfs/dbraw/zinc/49/94/22/1066499422.db2.gz RFCBGZXEBWEDHD-RTBURBONSA-N 1 0 458.006 4.636 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001456062946 1066499621 /nfs/dbraw/zinc/49/96/21/1066499621.db2.gz YWHXXILAPJJVOL-UHFFFAOYSA-N 1 0 453.945 4.935 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC001361180969 1066502115 /nfs/dbraw/zinc/50/21/15/1066502115.db2.gz CBIBEVOYYKNVNF-SFHVURJKSA-N 1 0 482.032 4.999 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)o1 ZINC001361180965 1066502124 /nfs/dbraw/zinc/50/21/24/1066502124.db2.gz CBIBEVOYYKNVNF-GOSISDBHSA-N 1 0 482.032 4.999 20 0 JJADRO COc1cc(Br)ccc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001456072232 1066502638 /nfs/dbraw/zinc/50/26/38/1066502638.db2.gz IJVITWNAUNFBCF-UHFFFAOYSA-N 1 0 451.792 4.849 20 0 JJADRO Cn1c(C(=O)N2CC[N@H+](C)CC23CCCCC3)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001444771609 1066503159 /nfs/dbraw/zinc/50/31/59/1066503159.db2.gz WEZKJLYXHZZREO-OAQYLSRUSA-N 1 0 458.647 4.578 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC001361183147 1066505473 /nfs/dbraw/zinc/50/54/73/1066505473.db2.gz GQKYIXRCXSFIGP-RXVVDRJESA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1Br ZINC001361184577 1066507754 /nfs/dbraw/zinc/50/77/54/1066507754.db2.gz NQKVQENLEGWSNM-UXHICEINSA-N 1 0 490.490 4.753 20 0 JJADRO CC(C)n1cnc(-c2ccc(Cl)cc2)c1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001456100603 1066509258 /nfs/dbraw/zinc/50/92/58/1066509258.db2.gz REYGMKGTRGOMTE-UHFFFAOYSA-N 1 0 452.002 4.935 20 0 JJADRO CC[NH+]1CCC(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)CC1 ZINC001444835340 1066510923 /nfs/dbraw/zinc/51/09/23/1066510923.db2.gz IOJXRZVWESUGQM-UHFFFAOYSA-N 1 0 458.400 4.553 20 0 JJADRO CC[NH+]1CCC(CCNC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)CC1 ZINC001444840365 1066510965 /nfs/dbraw/zinc/51/09/65/1066510965.db2.gz OVYMAMUOSTWLDF-UHFFFAOYSA-N 1 0 451.995 4.953 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC3CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC001361187511 1066512648 /nfs/dbraw/zinc/51/26/48/1066512648.db2.gz UYAYLYCDSXFIIV-QGZVFWFLSA-N 1 0 460.464 4.984 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001546079647 1066513637 /nfs/dbraw/zinc/51/36/37/1066513637.db2.gz QSIFNFZZIIIQCM-NOTUOJBMSA-N 1 0 453.675 4.933 20 0 JJADRO O=C(c1ccc2ccc(O)cc2c1O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868659 1066514902 /nfs/dbraw/zinc/51/49/02/1066514902.db2.gz SOLOBSIODTZWEG-SFHVURJKSA-N 1 0 458.480 4.778 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)o1 ZINC001361190778 1066516113 /nfs/dbraw/zinc/51/61/13/1066516113.db2.gz SDCABOWEHVIDKA-IBGZPJMESA-N 1 0 455.578 4.765 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)n2CC(C)(C)C(F)(F)F)o1 ZINC001361190610 1066516142 /nfs/dbraw/zinc/51/61/42/1066516142.db2.gz NCNJFHTZPCGSBP-FXAWDEMLSA-N 1 0 493.578 4.688 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3F)n2C[C@H](c2cccs2)[NH+](C)C)o1 ZINC001361190585 1066516261 /nfs/dbraw/zinc/51/62/61/1066516261.db2.gz MAUDVUBIGNKSAQ-LJQANCHMSA-N 1 0 469.586 4.865 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3cccc(Cl)c3)n2CC[N@H+](C)C2CCCC2)o1 ZINC001361190996 1066516661 /nfs/dbraw/zinc/51/66/61/1066516661.db2.gz XTTCGKKVSANEFV-UHFFFAOYSA-N 1 0 458.006 4.890 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC[N@H+](C)C2CCCC2)cc1Br ZINC001361194255 1066520580 /nfs/dbraw/zinc/52/05/80/1066520580.db2.gz INDGHBNNBXRRHP-HDICACEKSA-N 1 0 460.464 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC[N@H+](C)C2CCCC2)cc1Br ZINC001361194256 1066520663 /nfs/dbraw/zinc/52/06/63/1066520663.db2.gz INDGHBNNBXRRHP-QZTJIDSGSA-N 1 0 460.464 4.983 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545970506 1066521003 /nfs/dbraw/zinc/52/10/03/1066521003.db2.gz FYVJOFIQBPGKCM-GOSISDBHSA-N 1 0 491.080 4.822 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545971090 1066524610 /nfs/dbraw/zinc/52/46/10/1066524610.db2.gz RLKSWEUCSWBNES-IBGZPJMESA-N 1 0 489.064 4.530 20 0 JJADRO C[C@@H](c1ccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)cc1)N1CCOCC1 ZINC001456158959 1066525826 /nfs/dbraw/zinc/52/58/26/1066525826.db2.gz XOOMEDKHPKDMPT-YADHBBJMSA-N 1 0 451.611 4.585 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H]2C)o1 ZINC001361199996 1066529520 /nfs/dbraw/zinc/52/95/20/1066529520.db2.gz KZRZECXGWSMGPH-CYBMUJFWSA-N 1 0 465.442 4.652 20 0 JJADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC001445026853 1066530924 /nfs/dbraw/zinc/53/09/24/1066530924.db2.gz LHUGDGACAPXRNH-UHFFFAOYSA-N 1 0 456.306 4.619 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](C)C4(CCC4)C3)n2CCOCC[NH+](C)C)cc1Br ZINC001361201597 1066531447 /nfs/dbraw/zinc/53/14/47/1066531447.db2.gz FHZWDLHYPANXPZ-LJQANCHMSA-N 1 0 490.490 4.611 20 0 JJADRO CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCC ZINC001445043941 1066533106 /nfs/dbraw/zinc/53/31/06/1066533106.db2.gz CTJKXKTXJAKEEO-TZIWHRDSSA-N 1 0 452.595 4.708 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001361204207 1066534750 /nfs/dbraw/zinc/53/47/50/1066534750.db2.gz POOZUALIGJYSAJ-NMWVFERUSA-N 1 0 489.730 4.875 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNC(=O)C[C@@H]1CCc2sccc2C1=O)C1CCCC1 ZINC001445057031 1066534717 /nfs/dbraw/zinc/53/47/17/1066534717.db2.gz MLKPWQYTBYYIID-IBGZPJMESA-N 1 0 454.636 4.843 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc12 ZINC001445054885 1066534836 /nfs/dbraw/zinc/53/48/36/1066534836.db2.gz PAFVGKNXIFUWKP-BLLLJJGKSA-N 1 0 451.423 4.974 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361205249 1066536304 /nfs/dbraw/zinc/53/63/04/1066536304.db2.gz GXTILMOVORHXRL-LJQANCHMSA-N 1 0 488.677 4.659 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)n2CC(F)(F)Br)o1 ZINC001361206976 1066538856 /nfs/dbraw/zinc/53/88/56/1066538856.db2.gz DNNMNYMQGXYHBK-QGZVFWFLSA-N 1 0 480.357 4.545 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001456215316 1066538975 /nfs/dbraw/zinc/53/89/75/1066538975.db2.gz SGNXUEWULXGIDS-OALUTQOASA-N 1 0 457.537 4.556 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCC(C)(C)O)cc1Br ZINC001361207497 1066540654 /nfs/dbraw/zinc/54/06/54/1066540654.db2.gz UNLZQPQRPUEZFS-UHFFFAOYSA-N 1 0 490.490 4.632 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1Br ZINC001361209287 1066542317 /nfs/dbraw/zinc/54/23/17/1066542317.db2.gz SFPDLTVHYYOKLZ-WIYYLYMNSA-N 1 0 490.490 4.750 20 0 JJADRO CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCCC1 ZINC001545972768 1066546919 /nfs/dbraw/zinc/54/69/19/1066546919.db2.gz MJANFOLCCZBMJG-SFHVURJKSA-N 1 0 475.460 4.675 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2CCCC[NH+]2CCOCC2)cc1Br ZINC001361213484 1066548231 /nfs/dbraw/zinc/54/82/31/1066548231.db2.gz XYYNKPYJCVQUKW-IBGZPJMESA-N 1 0 490.490 4.755 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC[NH+](C(C)C)C(C)C)o1 ZINC001361213862 1066548757 /nfs/dbraw/zinc/54/87/57/1066548757.db2.gz CMFMKNFSKGRBFK-IBGZPJMESA-N 1 0 471.568 4.903 20 0 JJADRO CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC001545973103 1066549143 /nfs/dbraw/zinc/54/91/43/1066549143.db2.gz RXXIKFAOOOTEIA-FQEVSTJZSA-N 1 0 460.548 4.813 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361214244 1066550055 /nfs/dbraw/zinc/55/00/55/1066550055.db2.gz LEUBHQGLBFIXBM-GGAORHGYSA-N 1 0 498.716 4.737 20 0 JJADRO COc1ccc(CCC(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c(Br)c1 ZINC001445270563 1066550860 /nfs/dbraw/zinc/55/08/60/1066550860.db2.gz LYBQTZRDPGRVSQ-UHFFFAOYSA-N 1 0 451.449 4.749 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001361214906 1066552110 /nfs/dbraw/zinc/55/21/10/1066552110.db2.gz ZUBARQBTEQVGIQ-SFHVURJKSA-N 1 0 479.551 4.634 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361218247 1066554383 /nfs/dbraw/zinc/55/43/83/1066554383.db2.gz QWESARCPPYVDOT-DENIHFKCSA-N 1 0 490.490 4.752 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)[C@@H](C)C1 ZINC001456298152 1066557467 /nfs/dbraw/zinc/55/74/67/1066557467.db2.gz FYBYDWHQPKBXBX-JXFKEZNVSA-N 1 0 454.011 4.554 20 0 JJADRO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220644 1066557885 /nfs/dbraw/zinc/55/78/85/1066557885.db2.gz XZLZBFAKUHIPMP-FBBABVLZSA-N 1 0 452.467 4.981 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CC2(C)C)cc1Br ZINC001361221151 1066559395 /nfs/dbraw/zinc/55/93/95/1066559395.db2.gz PGWXMUTTZCBCKP-SFHVURJKSA-N 1 0 460.464 4.983 20 0 JJADRO CC(C)(Cc1ccc(Br)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001456305944 1066560272 /nfs/dbraw/zinc/56/02/72/1066560272.db2.gz QSKVBUCXXOSYKO-UHFFFAOYSA-N 1 0 453.490 4.886 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC001361225746 1066564420 /nfs/dbraw/zinc/56/44/20/1066564420.db2.gz LCSBBOQUZIOIJW-RTBURBONSA-N 1 0 469.552 4.687 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC001361227636 1066566651 /nfs/dbraw/zinc/56/66/51/1066566651.db2.gz RVOWEVTXCRNUDX-OALUTQOASA-N 1 0 476.463 4.506 20 0 JJADRO Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccc(F)cc4F)C3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001361229089 1066568140 /nfs/dbraw/zinc/56/81/40/1066568140.db2.gz MNLDRLCCRXIJSY-HSZRJFAPSA-N 1 0 473.568 4.821 20 0 JJADRO Cc1ccc(-c2nnc(N3CCSCC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1Br ZINC001361230748 1066569850 /nfs/dbraw/zinc/56/98/50/1066569850.db2.gz BGZZUGOCHCMMIB-SFHVURJKSA-N 1 0 466.493 4.546 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC001361234966 1066575398 /nfs/dbraw/zinc/57/53/98/1066575398.db2.gz RKKZFCSXQDSVCV-QFIPXVFZSA-N 1 0 451.615 4.807 20 0 JJADRO CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(SC)c(OC)c1)[NH+]1CCCC1 ZINC001545975513 1066575482 /nfs/dbraw/zinc/57/54/82/1066575482.db2.gz TYIIKGIEAUQOQC-LJQANCHMSA-N 1 0 454.644 4.515 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001361235575 1066575837 /nfs/dbraw/zinc/57/58/37/1066575837.db2.gz XFMPKFCAYFHOKD-VBOOUTDYSA-N 1 0 483.701 4.945 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001456399264 1066578859 /nfs/dbraw/zinc/57/88/59/1066578859.db2.gz MTKAJWDCSVDKBR-LUGTWXOSSA-N 1 0 457.659 4.637 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001361238896 1066580237 /nfs/dbraw/zinc/58/02/37/1066580237.db2.gz YUYCRVNPRXRICT-KZKAQZJJSA-N 1 0 482.673 4.649 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001361238905 1066580282 /nfs/dbraw/zinc/58/02/82/1066580282.db2.gz YUYCRVNPRXRICT-SNJCGAMXSA-N 1 0 482.673 4.649 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361238922 1066580300 /nfs/dbraw/zinc/58/03/00/1066580300.db2.gz YYZRPNGOGNJFKE-FYYLOGMGSA-N 1 0 499.681 4.568 20 0 JJADRO O=C(CSCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001445527789 1066583271 /nfs/dbraw/zinc/58/32/71/1066583271.db2.gz URMNZMUBNQLDQX-JTHBVZDNSA-N 1 0 457.039 4.769 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445529645 1066583287 /nfs/dbraw/zinc/58/32/87/1066583287.db2.gz WNOOCEWUHVALCQ-BUZMGHMJSA-N 1 0 455.643 4.535 20 0 JJADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001445531669 1066583677 /nfs/dbraw/zinc/58/36/77/1066583677.db2.gz YLZRJYYFLKLQJH-JXHRLWIKSA-N 1 0 457.412 4.730 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC001445531738 1066583844 /nfs/dbraw/zinc/58/38/44/1066583844.db2.gz ZJZLZSMMRSDEIW-NFBKMPQASA-N 1 0 450.583 4.555 20 0 JJADRO O=C(/C(F)=C/c1ccc(C(F)(F)F)cc1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001456435884 1066585491 /nfs/dbraw/zinc/58/54/91/1066585491.db2.gz GLHUIHSBJHAFGM-XLNRJJMWSA-N 1 0 450.476 4.767 20 0 JJADRO C[C@H]1CC[C@H](c2nc(CC(=O)N3CCC[N@H+](Cc4ccccc4)CCOCC3)cs2)CC1 ZINC001456437317 1066586011 /nfs/dbraw/zinc/58/60/11/1066586011.db2.gz MKRVVWBIITYMPF-AFARHQOCSA-N 1 0 455.668 4.730 20 0 JJADRO O=C(CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)OCc1ccccc1 ZINC001445565725 1066588368 /nfs/dbraw/zinc/58/83/68/1066588368.db2.gz GUUPELAQBFBNTN-IZZNHLLZSA-N 1 0 477.004 4.805 20 0 JJADRO Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC001361247109 1066589314 /nfs/dbraw/zinc/58/93/14/1066589314.db2.gz PLTKMXJDKZZFNO-QFIPXVFZSA-N 1 0 467.683 4.873 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1 ZINC001456454914 1066591493 /nfs/dbraw/zinc/59/14/93/1066591493.db2.gz VHCITWZTWXKKAL-RCZVLFRGSA-N 1 0 481.637 4.681 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC001361249781 1066594045 /nfs/dbraw/zinc/59/40/45/1066594045.db2.gz FPVDRSLLFYRZMY-GOSISDBHSA-N 1 0 489.462 4.704 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCC2)s1 ZINC001361250061 1066595750 /nfs/dbraw/zinc/59/57/50/1066595750.db2.gz POOZARJSCFNYEE-UHFFFAOYSA-N 1 0 463.449 4.526 20 0 JJADRO COc1ccc2cc(/C=C/C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@H+](C)C4)cc3)ccc2c1 ZINC001456489899 1066597462 /nfs/dbraw/zinc/59/74/62/1066597462.db2.gz NEBSKPBUCCTUDP-KVTOOOBYSA-N 1 0 457.574 4.667 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC001361251403 1066598818 /nfs/dbraw/zinc/59/88/18/1066598818.db2.gz QSSMWVCFAUTXNY-IBGZPJMESA-N 1 0 457.003 4.896 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)s1 ZINC001361251487 1066598951 /nfs/dbraw/zinc/59/89/51/1066598951.db2.gz UKQKSVHMRJZEIV-UHFFFAOYSA-N 1 0 460.047 4.717 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2c(Cl)cccc2OCC2CC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001456498454 1066600889 /nfs/dbraw/zinc/60/08/89/1066600889.db2.gz HMSAZMCQCWPUMH-FQEVSTJZSA-N 1 0 455.986 4.547 20 0 JJADRO COC1CC[NH+](C2(CNC(=O)C(C)(C)c3ccc(Br)c(C)c3)CCCC2)CC1 ZINC001456498215 1066601059 /nfs/dbraw/zinc/60/10/59/1066601059.db2.gz GPIHUFYWIUHUNV-UHFFFAOYSA-N 1 0 451.449 4.575 20 0 JJADRO Cc1oc(-c2ccccc2)cc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC001456501541 1066602333 /nfs/dbraw/zinc/60/23/33/1066602333.db2.gz BRTKDQQLTSEEAJ-UHFFFAOYSA-N 1 0 457.496 4.956 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001456501695 1066602847 /nfs/dbraw/zinc/60/28/47/1066602847.db2.gz WIMRKJCGRYPBSL-OAQYLSRUSA-N 1 0 459.512 4.542 20 0 JJADRO COC1CC[NH+](C2(CNC(=O)c3sc(C(C)(C)c4ccccc4)nc3C)CCCC2)CC1 ZINC001456501634 1066602981 /nfs/dbraw/zinc/60/29/81/1066602981.db2.gz WCDDFTRPIWFEKE-UHFFFAOYSA-N 1 0 455.668 4.931 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCSC2)s1 ZINC001361257578 1066605617 /nfs/dbraw/zinc/60/56/17/1066605617.db2.gz DRNQSJGHPUDQHA-QHCPKHFHSA-N 1 0 476.115 4.966 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC001361257885 1066606257 /nfs/dbraw/zinc/60/62/57/1066606257.db2.gz KOWPNLYSCYLGQV-OAQYLSRUSA-N 1 0 453.606 4.914 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)s1 ZINC001361258244 1066607504 /nfs/dbraw/zinc/60/75/04/1066607504.db2.gz PVKAKRBNHAZHKU-HSZRJFAPSA-N 1 0 452.672 4.781 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)s1 ZINC001361258299 1066607640 /nfs/dbraw/zinc/60/76/40/1066607640.db2.gz RRGPYGUOTYWHIJ-XMMPIXPASA-N 1 0 455.697 4.621 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512575 1066607674 /nfs/dbraw/zinc/60/76/74/1066607674.db2.gz XOQKWAQVDQHRTF-REWPJTCUSA-N 1 0 456.428 4.507 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC001361258867 1066609099 /nfs/dbraw/zinc/60/90/99/1066609099.db2.gz HQFVFUNZXYKJRO-PMACEKPBSA-N 1 0 452.672 4.638 20 0 JJADRO Cc1ccc(CN(Cc2ccco2)c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCCCC2)s1 ZINC001361261963 1066614894 /nfs/dbraw/zinc/61/48/94/1066614894.db2.gz MNSKZPICUZIYOJ-UHFFFAOYSA-N 1 0 498.697 4.851 20 0 JJADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778291 1066615880 /nfs/dbraw/zinc/61/58/80/1066615880.db2.gz CLBRMPQIIOBSJH-SJCJKPOMSA-N 1 0 450.764 4.502 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001445784972 1066616672 /nfs/dbraw/zinc/61/66/72/1066616672.db2.gz GONWHNAKJPQGOI-CZUORRHYSA-N 1 0 457.290 4.741 20 0 JJADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001445790300 1066618030 /nfs/dbraw/zinc/61/80/30/1066618030.db2.gz RWMMBGFNZFLDIQ-OMWUSAIZSA-N 1 0 456.414 4.500 20 0 JJADRO CC[C@@H](C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001456546109 1066621940 /nfs/dbraw/zinc/62/19/40/1066621940.db2.gz KNHGCOHXUCXDSG-IBGGVINMSA-N 1 0 465.638 4.806 20 0 JJADRO Cc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCOC(C)C)CC2)s1 ZINC001361268994 1066622544 /nfs/dbraw/zinc/62/25/44/1066622544.db2.gz UZOWGCFVDLOPOE-UHFFFAOYSA-N 1 0 460.047 4.564 20 0 JJADRO CN(CCCC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC001456551140 1066623042 /nfs/dbraw/zinc/62/30/42/1066623042.db2.gz PXFPMWVKIACZIQ-RBJSKKJNSA-N 1 0 465.638 4.808 20 0 JJADRO COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC001445838724 1066624956 /nfs/dbraw/zinc/62/49/56/1066624956.db2.gz BSCPOYQPMYPFQX-UHFFFAOYSA-N 1 0 455.967 4.987 20 0 JJADRO COc1c(N)c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc(Cl)c1Br ZINC001445853263 1066626540 /nfs/dbraw/zinc/62/65/40/1066626540.db2.gz PUUYUSFOFZDMMX-UHFFFAOYSA-N 1 0 452.780 4.850 20 0 JJADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC001445854235 1066626542 /nfs/dbraw/zinc/62/65/42/1066626542.db2.gz RXHIWYFAAWFUAF-UHFFFAOYSA-N 1 0 455.628 4.847 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](COCc3ccccc3)c3ccccc3)cc2)CC1 ZINC001456586486 1066633721 /nfs/dbraw/zinc/63/37/21/1066633721.db2.gz NJLVSXXLJCFHNL-NDEPHWFRSA-N 1 0 457.618 4.905 20 0 JJADRO Cc1c(Br)cncc1C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001361278612 1066635998 /nfs/dbraw/zinc/63/59/98/1066635998.db2.gz BZXFFQOWWQVKRZ-UHFFFAOYSA-N 1 0 452.396 4.927 20 0 JJADRO Cc1cccc(-c2nnc(-c3ccc(C(=O)N(CC[NH+](C)C)Cc4cccc(O)c4)cc3)o2)c1 ZINC001445964869 1066640251 /nfs/dbraw/zinc/64/02/51/1066640251.db2.gz BVPMJDKMZXXJGY-UHFFFAOYSA-N 1 0 456.546 4.622 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001492598635 1066647895 /nfs/dbraw/zinc/64/78/95/1066647895.db2.gz NJBAKDDKTKEBIP-QPTUXGOLSA-N 1 0 469.674 4.506 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCC[C@@H]1C ZINC001492598671 1066648567 /nfs/dbraw/zinc/64/85/67/1066648567.db2.gz ORSWPOUNXIUIIX-FQEVSTJZSA-N 1 0 469.033 4.692 20 0 JJADRO CC[C@H](Cc1ccccc1Br)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC001446037410 1066649966 /nfs/dbraw/zinc/64/99/66/1066649966.db2.gz SFEVATYEWFJGHN-HXUWFJFHSA-N 1 0 459.428 4.861 20 0 JJADRO CC[C@@H](Cc1ccccc1Br)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC001446037409 1066649998 /nfs/dbraw/zinc/64/99/98/1066649998.db2.gz SFEVATYEWFJGHN-FQEVSTJZSA-N 1 0 459.428 4.861 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(C(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001492599597 1066650605 /nfs/dbraw/zinc/65/06/05/1066650605.db2.gz ZFBRRHZZGQWQFD-FGZHOGPDSA-N 1 0 457.663 4.503 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001492600078 1066652539 /nfs/dbraw/zinc/65/25/39/1066652539.db2.gz HUIBFMMPIRLUIZ-NRFANRHFSA-N 1 0 462.623 4.528 20 0 JJADRO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001446085180 1066657381 /nfs/dbraw/zinc/65/73/81/1066657381.db2.gz GQMSFOFZFNZLPK-WIOPSUGQSA-N 1 0 452.595 4.862 20 0 JJADRO CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456650853 1066658794 /nfs/dbraw/zinc/65/87/94/1066658794.db2.gz QMEJVEYSBBITOV-JPYHZWLXSA-N 1 0 465.638 4.854 20 0 JJADRO CC1=CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001492608663 1066669867 /nfs/dbraw/zinc/66/98/67/1066669867.db2.gz FPQWOJMCVZGXTL-INIZCTEOSA-N 1 0 452.466 4.902 20 0 JJADRO CC1=CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001492608662 1066669896 /nfs/dbraw/zinc/66/98/96/1066669896.db2.gz FOQQZQFTWQCMOX-XMMPIXPASA-N 1 0 451.659 4.756 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC=C(C)C2)[NH+](C)C)cc1 ZINC001492609123 1066670373 /nfs/dbraw/zinc/67/03/73/1066670373.db2.gz MNECCNQIQGMXRN-OAQYLSRUSA-N 1 0 469.431 4.803 20 0 JJADRO CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001492609125 1066670556 /nfs/dbraw/zinc/67/05/56/1066670556.db2.gz MNMWDVXYSOIQJK-SFHVURJKSA-N 1 0 475.460 4.567 20 0 JJADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001456719142 1066673615 /nfs/dbraw/zinc/67/36/15/1066673615.db2.gz ACYXQGREDCBXGR-DEOSSOPVSA-N 1 0 457.618 4.525 20 0 JJADRO CC1=CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001492611492 1066674160 /nfs/dbraw/zinc/67/41/60/1066674160.db2.gz CWBLUMAONDYKGN-QFIPXVFZSA-N 1 0 486.705 4.671 20 0 JJADRO CC1=CCCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001492613133 1066674869 /nfs/dbraw/zinc/67/48/69/1066674869.db2.gz HWDLEZSZKAPBPT-HXUWFJFHSA-N 1 0 488.474 4.898 20 0 JJADRO CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)NC(=O)OC(C)(C)C ZINC001545983188 1066675712 /nfs/dbraw/zinc/67/57/12/1066675712.db2.gz YKACWYRHGGMCIR-TUNNFDKTSA-N 1 0 474.694 4.550 20 0 JJADRO CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001492613706 1066677007 /nfs/dbraw/zinc/67/70/07/1066677007.db2.gz GAYKDSOJQBELAS-MZYLBHOOSA-N 1 0 486.705 4.717 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(F)(F)c1ccccc1Br ZINC001456736885 1066678277 /nfs/dbraw/zinc/67/82/77/1066678277.db2.gz OBSCFIJWHKMNJW-SFHVURJKSA-N 1 0 451.355 4.912 20 0 JJADRO CC1=CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001492614994 1066679771 /nfs/dbraw/zinc/67/97/71/1066679771.db2.gz WMZOYQJHPLNIHV-SZPZYZBQSA-N 1 0 499.103 4.776 20 0 JJADRO CC1=CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001492616357 1066683884 /nfs/dbraw/zinc/68/38/84/1066683884.db2.gz VZHFKLIVHMVXGT-IBGZPJMESA-N 1 0 458.448 4.986 20 0 JJADRO COc1cccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1OC(F)F ZINC001456770302 1066685283 /nfs/dbraw/zinc/68/52/83/1066685283.db2.gz QWVZPFWCFXJEJS-RTBURBONSA-N 1 0 474.529 4.712 20 0 JJADRO CC1=CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001492619629 1066687280 /nfs/dbraw/zinc/68/72/80/1066687280.db2.gz CZIZIJJUZXKGQD-JOCHJYFZSA-N 1 0 464.104 4.818 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCC[N@@H+](C)C(C)C)C2)c1 ZINC001492620369 1066689896 /nfs/dbraw/zinc/68/98/96/1066689896.db2.gz DGTDRRVZRHRTQH-FGZHOGPDSA-N 1 0 483.636 4.634 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC001446323093 1066690455 /nfs/dbraw/zinc/69/04/55/1066690455.db2.gz MIBJHODSDSQKIH-FQEVSTJZSA-N 1 0 450.501 4.737 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(COc2ccc(C)nc2)c1 ZINC001446326714 1066691132 /nfs/dbraw/zinc/69/11/32/1066691132.db2.gz VYSGLQGJSHHVRF-VWLOTQADSA-N 1 0 459.590 4.801 20 0 JJADRO CC1(C(=O)NCc2cc3cccnc3cc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC001446428247 1066704477 /nfs/dbraw/zinc/70/44/77/1066704477.db2.gz CQZBPMQQIVTKLU-UHFFFAOYSA-N 1 0 452.396 4.916 20 0 JJADRO CC(C)(CO)[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)c1ccccc1 ZINC001446431605 1066705178 /nfs/dbraw/zinc/70/51/78/1066705178.db2.gz YUGHCSZKFNHBPP-WTNLLYQRSA-N 1 0 470.657 4.995 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(Cc4c(F)cccc4F)n3CC(C)(C)C[NH+](C)C)CC2)s1 ZINC001492633502 1066714834 /nfs/dbraw/zinc/71/48/34/1066714834.db2.gz DDZXECDAEIGQFL-UHFFFAOYSA-N 1 0 488.652 4.884 20 0 JJADRO Cc1cnc(C2CCN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@H](C)[NH+](C)C)CC2)s1 ZINC001492633636 1066714911 /nfs/dbraw/zinc/71/49/11/1066714911.db2.gz JIYGVZLDDPXPOA-IBGZPJMESA-N 1 0 468.671 4.573 20 0 JJADRO C[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(I)cc1 ZINC001446568985 1066721693 /nfs/dbraw/zinc/72/16/93/1066721693.db2.gz RHMHCQFZQDNWBZ-KRWDZBQOSA-N 1 0 454.396 4.509 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)cc21 ZINC001446571577 1066722235 /nfs/dbraw/zinc/72/22/35/1066722235.db2.gz YOKCGUFSPZHONV-UHFFFAOYSA-N 1 0 455.643 4.641 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001456930535 1066724946 /nfs/dbraw/zinc/72/49/46/1066724946.db2.gz BXVINDHYTXHEQX-FQEVSTJZSA-N 1 0 456.428 4.643 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001456936489 1066725946 /nfs/dbraw/zinc/72/59/46/1066725946.db2.gz JGMXOWWLMUDZJF-DNQXCXABSA-N 1 0 457.659 4.831 20 0 JJADRO CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001545987768 1066726672 /nfs/dbraw/zinc/72/66/72/1066726672.db2.gz WWOTURCALNJPOY-NRFANRHFSA-N 1 0 474.694 4.694 20 0 JJADRO Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CCO2)n1 ZINC001492640834 1066732876 /nfs/dbraw/zinc/73/28/76/1066732876.db2.gz FADSRHYENIYQJC-ZVDOUQERSA-N 1 0 488.746 4.966 20 0 JJADRO O=C(CCCOc1ccccc1F)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456980263 1066734943 /nfs/dbraw/zinc/73/49/43/1066734943.db2.gz CYPPYBCOAXYVNV-FQEVSTJZSA-N 1 0 452.492 4.898 20 0 JJADRO Cc1csc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)C2)n1 ZINC001492641947 1066735284 /nfs/dbraw/zinc/73/52/84/1066735284.db2.gz KWSWWFDQOLMNPK-FQEVSTJZSA-N 1 0 470.662 4.996 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1)CC(C)C ZINC001446759390 1066736462 /nfs/dbraw/zinc/73/64/62/1066736462.db2.gz DFJFWKREQSXGEY-UHFFFAOYSA-N 1 0 452.521 4.976 20 0 JJADRO Cc1csc([C@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC001492643146 1066738723 /nfs/dbraw/zinc/73/87/23/1066738723.db2.gz ZWKUOCUPBWXJRY-QFIPXVFZSA-N 1 0 482.698 4.614 20 0 JJADRO Cc1csc([C@H]2CCCN(c3nnc(C(C)C)n3C[C@H](c3ccc(F)cc3)[NH+](C)C)C2)n1 ZINC001492643127 1066738866 /nfs/dbraw/zinc/73/88/66/1066738866.db2.gz ZFPZHWQZULUQNE-PZJWPPBQSA-N 1 0 456.635 4.992 20 0 JJADRO C[C@@H](CC(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)C(=O)c1ccccc1 ZINC001446824782 1066745046 /nfs/dbraw/zinc/74/50/46/1066745046.db2.gz QDPFEXRZFJSNPN-QHCPKHFHSA-N 1 0 455.602 4.899 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001492647011 1066750435 /nfs/dbraw/zinc/75/04/35/1066750435.db2.gz CUCRWULEZNTQFG-OAQYLSRUSA-N 1 0 453.587 4.910 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001492647122 1066750931 /nfs/dbraw/zinc/75/09/31/1066750931.db2.gz XTADVQUHAMACLO-VXKWHMMOSA-N 1 0 457.619 4.968 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001492647710 1066752575 /nfs/dbraw/zinc/75/25/75/1066752575.db2.gz UQDSUIITDAQTRH-RTBURBONSA-N 1 0 473.712 4.825 20 0 JJADRO CC(C)(C)OC(=O)Nc1ncc(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001457060318 1066752711 /nfs/dbraw/zinc/75/27/11/1066752711.db2.gz DEMVVMGLBXZTOS-QYZOEREBSA-N 1 0 456.612 4.521 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001546086914 1066758231 /nfs/dbraw/zinc/75/82/31/1066758231.db2.gz BDBNEWCUMQEJTM-KBMIEXCESA-N 1 0 476.065 4.733 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001457094931 1066760214 /nfs/dbraw/zinc/76/02/14/1066760214.db2.gz LCZZHECKPAPKGO-HOYKHHGWSA-N 1 0 451.014 4.842 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001457094940 1066760274 /nfs/dbraw/zinc/76/02/74/1066760274.db2.gz LCZZHECKPAPKGO-MHECFPHRSA-N 1 0 451.014 4.842 20 0 JJADRO CCc1cnc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)s1 ZINC001457094601 1066760364 /nfs/dbraw/zinc/76/03/64/1066760364.db2.gz AUWGNAZGBKZBTD-XZOQPEGZSA-N 1 0 454.039 4.933 20 0 JJADRO Cc1cscc1Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001492653502 1066761883 /nfs/dbraw/zinc/76/18/83/1066761883.db2.gz BBWTZOCKLCKFTR-UHFFFAOYSA-N 1 0 480.501 4.965 20 0 JJADRO Cc1nc(C)c(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492654986 1066765290 /nfs/dbraw/zinc/76/52/90/1066765290.db2.gz JQQLVJNMAVFIAV-UHFFFAOYSA-N 1 0 477.053 4.974 20 0 JJADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC001545991619 1066765474 /nfs/dbraw/zinc/76/54/74/1066765474.db2.gz VHLUOUAXDQBRRM-CYBMUJFWSA-N 1 0 456.306 4.818 20 0 JJADRO COc1ccc([C@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(Br)c1 ZINC001447018948 1066766570 /nfs/dbraw/zinc/76/65/70/1066766570.db2.gz XZDJLEZJKDUPOV-UWJYYQICSA-N 1 0 457.412 4.937 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001546087016 1066769763 /nfs/dbraw/zinc/76/97/63/1066769763.db2.gz DHMDYVICJUJMAC-CLJLJLNGSA-N 1 0 471.715 4.685 20 0 JJADRO Cc1nc(C)c(CCn2c(CCc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC001492657657 1066770994 /nfs/dbraw/zinc/77/09/94/1066770994.db2.gz WTLKURBMUDPIFR-UHFFFAOYSA-N 1 0 466.699 4.690 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc(Br)ccc3OCc3ccccc3)C[C@H]2C1 ZINC001457143656 1066771935 /nfs/dbraw/zinc/77/19/35/1066771935.db2.gz KCOVBYLWBAFGJT-SFHLNBCPSA-N 1 0 457.412 4.830 20 0 JJADRO Cc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107856 1066774479 /nfs/dbraw/zinc/77/44/79/1066774479.db2.gz SAUVCBJFHGNTGU-WZONZLPQSA-N 1 0 453.945 4.978 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1 ZINC001447137854 1066777573 /nfs/dbraw/zinc/77/75/73/1066777573.db2.gz VPINWKORAMUPBL-JIMJEQGWSA-N 1 0 477.649 4.630 20 0 JJADRO Cc1nc(C)c(Cn2c(Cc3ccccc3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC001492660606 1066778178 /nfs/dbraw/zinc/77/81/78/1066778178.db2.gz XNHQIVRMIDPHCA-UHFFFAOYSA-N 1 0 452.672 4.610 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001546087995 1066778682 /nfs/dbraw/zinc/77/86/82/1066778682.db2.gz XZXIXEWWOQALAO-OAQYLSRUSA-N 1 0 452.430 4.742 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001492661012 1066779068 /nfs/dbraw/zinc/77/90/68/1066779068.db2.gz BJJQLFAZTRLMBT-CVEARBPZSA-N 1 0 460.598 4.594 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2C[C@@H](C)C[NH+]2CCCC2)cs1 ZINC001492661477 1066780723 /nfs/dbraw/zinc/78/07/23/1066780723.db2.gz ISJHJADSVNTFRJ-IRXDYDNUSA-N 1 0 474.625 4.841 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H]3CCc4ccccc43)n2CC[NH+](C(C)C)C(C)C)cs1 ZINC001492663470 1066783421 /nfs/dbraw/zinc/78/34/21/1066783421.db2.gz ASGOAWJYBCCLIN-QHCPKHFHSA-N 1 0 452.672 4.876 20 0 JJADRO Cc1ccc2nc(COc3ccc(C(=O)NC(C)(C)C[N@H+](C)Cc4ccccc4)cc3)cn2c1 ZINC001447264149 1066786227 /nfs/dbraw/zinc/78/62/27/1066786227.db2.gz OBVZWQINEINPLC-UHFFFAOYSA-N 1 0 456.590 4.862 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccccc3C)n2C[C@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492665449 1066786687 /nfs/dbraw/zinc/78/66/87/1066786687.db2.gz IYBSXPPDWNZFDU-JOCHJYFZSA-N 1 0 466.680 4.943 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cccc(F)c3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001492665626 1066787405 /nfs/dbraw/zinc/78/74/05/1066787405.db2.gz PLXHVIVYCYTKKZ-LJQANCHMSA-N 1 0 470.662 4.921 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cc(Br)cs3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492665922 1066788191 /nfs/dbraw/zinc/78/81/91/1066788191.db2.gz CJRFGZFLGAGDPJ-UHFFFAOYSA-N 1 0 497.532 4.682 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492666050 1066789356 /nfs/dbraw/zinc/78/93/56/1066789356.db2.gz FTHXDPGIUPUWHN-HDICACEKSA-N 1 0 485.702 4.633 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001457208229 1066790328 /nfs/dbraw/zinc/79/03/28/1066790328.db2.gz SVOLDUNZDLJARN-OXQOHEQNSA-N 1 0 450.410 4.701 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001457208228 1066790427 /nfs/dbraw/zinc/79/04/27/1066790427.db2.gz SVOLDUNZDLJARN-OXJNMPFZSA-N 1 0 450.410 4.701 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2CC[NH+]2CCCCCC2)cs1 ZINC001492666407 1066791466 /nfs/dbraw/zinc/79/14/66/1066791466.db2.gz SEWINEWWZYGBJQ-UHFFFAOYSA-N 1 0 465.092 4.861 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001492666452 1066791852 /nfs/dbraw/zinc/79/18/52/1066791852.db2.gz UMTFKMLHUVONEO-MRXNPFEDSA-N 1 0 477.053 4.795 20 0 JJADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(COC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001545994673 1066793993 /nfs/dbraw/zinc/79/39/93/1066793993.db2.gz DJPIZMFFBKDDCC-XMMPIXPASA-N 1 0 453.675 4.566 20 0 JJADRO CCCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c(OCc2ccccc2)c1 ZINC001447354846 1066797426 /nfs/dbraw/zinc/79/74/26/1066797426.db2.gz HHRWBKQVJXBRJP-NOZRDPDXSA-N 1 0 454.636 4.706 20 0 JJADRO CS[C@H]1CN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC001447359369 1066798030 /nfs/dbraw/zinc/79/80/30/1066798030.db2.gz FGXSLKIHEGSCCJ-MJGOQNOKSA-N 1 0 452.407 4.833 20 0 JJADRO CCN(C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001447361485 1066798781 /nfs/dbraw/zinc/79/87/81/1066798781.db2.gz RWGIWICHTRAQCZ-XCZPVHLTSA-N 1 0 458.602 4.812 20 0 JJADRO CS[C@H]1CN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)C[C@H]1[NH+]1CCCC1 ZINC001447366511 1066799653 /nfs/dbraw/zinc/79/96/53/1066799653.db2.gz XMKCKKYCWJHTPD-SJORKVTESA-N 1 0 456.464 4.698 20 0 JJADRO Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001492670546 1066800725 /nfs/dbraw/zinc/80/07/25/1066800725.db2.gz WQGKFBRYWVDNLU-GOSISDBHSA-N 1 0 456.635 4.672 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC001492671561 1066802667 /nfs/dbraw/zinc/80/26/67/1066802667.db2.gz ZBECSSPIPGRXLW-JLHGSKIFSA-N 1 0 456.635 4.701 20 0 JJADRO Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC001492672005 1066803726 /nfs/dbraw/zinc/80/37/26/1066803726.db2.gz KYMCOQWYCSOXDI-INIZCTEOSA-N 1 0 468.593 4.597 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001492671990 1066803764 /nfs/dbraw/zinc/80/37/64/1066803764.db2.gz KJLUKRLQEQQPFW-DENIHFKCSA-N 1 0 470.662 4.948 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492673609 1066806770 /nfs/dbraw/zinc/80/67/70/1066806770.db2.gz XYEXIOGFBAGMKC-YRPNKDGESA-N 1 0 458.720 4.873 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001492673799 1066808012 /nfs/dbraw/zinc/80/80/12/1066808012.db2.gz BUXSVYWRJBTYMR-IBGZPJMESA-N 1 0 484.636 4.923 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CC(C)(C)[NH+]2CCCCC2)cs1 ZINC001492675037 1066810423 /nfs/dbraw/zinc/81/04/23/1066810423.db2.gz LZTCNGMOAAYUJR-UHFFFAOYSA-N 1 0 469.486 4.798 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CC2([NH+](C)C)CCCCC2)cs1 ZINC001492675279 1066810902 /nfs/dbraw/zinc/81/09/02/1066810902.db2.gz SBSRUVDHCULVRN-UHFFFAOYSA-N 1 0 469.486 4.798 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC001492676304 1066812581 /nfs/dbraw/zinc/81/25/81/1066812581.db2.gz BHYLKBXUURWSEF-TXBYWVTISA-N 1 0 466.646 4.626 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cs1 ZINC001492676305 1066812666 /nfs/dbraw/zinc/81/26/66/1066812666.db2.gz BHYLKBXUURWSEF-WLENULPWSA-N 1 0 466.646 4.626 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C)c2ccc(F)cc2)cs1 ZINC001492675590 1066813247 /nfs/dbraw/zinc/81/32/47/1066813247.db2.gz DAZXWXLLEZGAFQ-KRWDZBQOSA-N 1 0 456.635 4.543 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cs1 ZINC001492676464 1066813251 /nfs/dbraw/zinc/81/32/51/1066813251.db2.gz GKFJAOPAJOEIEE-AZUAARDMSA-N 1 0 466.646 4.626 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CCC[NH+](C(C)C)C(C)C)cs1 ZINC001492676492 1066813749 /nfs/dbraw/zinc/81/37/49/1066813749.db2.gz HFQVSQHMQKMYON-SFHVURJKSA-N 1 0 454.635 4.624 20 0 JJADRO CN1CC[NH+](CC2(C)CCN(C(=O)/C=C/c3cccc(-c4ccc(Cl)cc4)c3)CC2)CC1 ZINC001447488243 1066814642 /nfs/dbraw/zinc/81/46/42/1066814642.db2.gz QYAWUXMUTAVCJR-IZZDOVSWSA-N 1 0 452.042 4.896 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2CCCCC[NH+]2CCCCC2)cs1 ZINC001492676907 1066814744 /nfs/dbraw/zinc/81/47/44/1066814744.db2.gz RCGBDVWJILRXOV-UHFFFAOYSA-N 1 0 493.519 4.779 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001492677159 1066815544 /nfs/dbraw/zinc/81/55/44/1066815544.db2.gz XLWVBGIUQYOYSL-AEFFLSMTSA-N 1 0 466.646 4.626 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001492677044 1066815602 /nfs/dbraw/zinc/81/56/02/1066815602.db2.gz URUSCSXTCACOLS-AEFFLSMTSA-N 1 0 470.609 4.533 20 0 JJADRO CC[C@@H]1CN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001447501684 1066816117 /nfs/dbraw/zinc/81/61/17/1066816117.db2.gz SIVRHMLCMUPOFE-IXCJQBJRSA-N 1 0 458.602 4.812 20 0 JJADRO C[NH+]1CCN(c2ccc(CCNC(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)cc2)CC1 ZINC001457365624 1066817779 /nfs/dbraw/zinc/81/77/79/1066817779.db2.gz VTAWYWYONWXUMN-UHFFFAOYSA-N 1 0 457.405 4.713 20 0 JJADRO CC(C)([C@H](NC(=O)c1ccc(Br)cc1O)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001447550772 1066820831 /nfs/dbraw/zinc/82/08/31/1066820831.db2.gz CHCZDMLOSGEWKK-LJQANCHMSA-N 1 0 453.327 4.778 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](c4nc(C)c(C)s4)C3)n2CCC[N@@H+](C)C(C)C)cs1 ZINC001492679355 1066822070 /nfs/dbraw/zinc/82/20/70/1066822070.db2.gz ZVYPIVWZAQWNGF-HXUWFJFHSA-N 1 0 487.743 4.821 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCc2ccccc2C(F)(F)F)cs1 ZINC001492681298 1066823710 /nfs/dbraw/zinc/82/37/10/1066823710.db2.gz RSXUMPPFOVKZCC-UHFFFAOYSA-N 1 0 492.615 4.673 20 0 JJADRO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC001457421871 1066827952 /nfs/dbraw/zinc/82/79/52/1066827952.db2.gz LDJNKQJBKWZTOA-JOCHJYFZSA-N 1 0 455.606 4.737 20 0 JJADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc2cc(Br)ccc2s1 ZINC001447622064 1066830434 /nfs/dbraw/zinc/83/04/34/1066830434.db2.gz UQRBBOOHFQQIEA-IBGZPJMESA-N 1 0 459.409 4.551 20 0 JJADRO C[C@@H](CCNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[NH+]1CCCCC1 ZINC001447621163 1066830474 /nfs/dbraw/zinc/83/04/74/1066830474.db2.gz NROAKMKQJCTRTC-QHCPKHFHSA-N 1 0 450.623 4.695 20 0 JJADRO Cc1nc(CCn2c(-c3ccc(Br)s3)nnc2N2CC[NH+](CC(C)C)CC2)cs1 ZINC001492687862 1066834553 /nfs/dbraw/zinc/83/45/53/1066834553.db2.gz SMVINGFMEFSOKT-UHFFFAOYSA-N 1 0 495.516 4.555 20 0 JJADRO CC[C@@H](Cn1c(Cc2ccccn2)nnc1N(CC(C)C)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001545998883 1066840385 /nfs/dbraw/zinc/84/03/85/1066840385.db2.gz DIQHQJKAVDWBKW-SANMLTNESA-N 1 0 460.670 4.972 20 0 JJADRO CN(C)C(=O)Nc1cccc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001457515598 1066848291 /nfs/dbraw/zinc/84/82/91/1066848291.db2.gz HELBSTDGMQDIEI-UHFFFAOYSA-N 1 0 456.590 4.973 20 0 JJADRO CCOC(=O)c1ccc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)nc1C ZINC001457518137 1066849647 /nfs/dbraw/zinc/84/96/47/1066849647.db2.gz QVWCIMIQQMNYRL-UHFFFAOYSA-N 1 0 457.574 4.760 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC001492697935 1066850249 /nfs/dbraw/zinc/85/02/49/1066850249.db2.gz INMGYTBHHYDYLN-HDICACEKSA-N 1 0 488.652 4.916 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)s1 ZINC001492698161 1066850463 /nfs/dbraw/zinc/85/04/63/1066850463.db2.gz OOGRMPHOFVGBFC-UHFFFAOYSA-N 1 0 459.063 4.800 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)s1 ZINC001492698451 1066851548 /nfs/dbraw/zinc/85/15/48/1066851548.db2.gz XZDDNMUDJJMOEH-NRFANRHFSA-N 1 0 456.635 4.530 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC001492698461 1066851697 /nfs/dbraw/zinc/85/16/97/1066851697.db2.gz YEEUBFWMGDYRSU-SFHVURJKSA-N 1 0 470.662 4.920 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)s1 ZINC001492698532 1066851797 /nfs/dbraw/zinc/85/17/97/1066851797.db2.gz AOYOHJGXTFOHPO-GOSISDBHSA-N 1 0 468.671 4.607 20 0 JJADRO Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)s1 ZINC001492698708 1066852282 /nfs/dbraw/zinc/85/22/82/1066852282.db2.gz IYUTYLPRPCZKDJ-NJDAHSKKSA-N 1 0 488.727 4.962 20 0 JJADRO CCCCOc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)cc1Cl ZINC001447754876 1066853580 /nfs/dbraw/zinc/85/35/80/1066853580.db2.gz ZRJCEVWLNPRIAA-GJZUVCINSA-N 1 0 457.014 4.674 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)s1 ZINC001492699065 1066854120 /nfs/dbraw/zinc/85/41/20/1066854120.db2.gz WNJONBJNUGSFEP-SFHVURJKSA-N 1 0 472.634 4.518 20 0 JJADRO C[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC001447760935 1066855050 /nfs/dbraw/zinc/85/50/50/1066855050.db2.gz RDSSEBCFRUUWKH-IBGZPJMESA-N 1 0 457.640 4.875 20 0 JJADRO CN(C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457540561 1066855953 /nfs/dbraw/zinc/85/59/53/1066855953.db2.gz UYQXYEOTIJVVAD-SMIHKQSGSA-N 1 0 457.659 4.973 20 0 JJADRO CN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457544933 1066857379 /nfs/dbraw/zinc/85/73/79/1066857379.db2.gz MKDFNPHIIXXHFW-JOCHJYFZSA-N 1 0 456.428 4.786 20 0 JJADRO CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)c2C1 ZINC001447794964 1066859565 /nfs/dbraw/zinc/85/95/65/1066859565.db2.gz FYHVLAHUYFVQAR-PMACEKPBSA-N 1 0 451.655 4.693 20 0 JJADRO CCn1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c(=O)c2cc(Cl)ccc21 ZINC001457553780 1066859917 /nfs/dbraw/zinc/85/99/17/1066859917.db2.gz JBTKJHQGGSQBFY-DEOSSOPVSA-N 1 0 451.998 4.878 20 0 JJADRO CCn1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c(=O)c2cc(Cl)ccc21 ZINC001457553801 1066859932 /nfs/dbraw/zinc/85/99/32/1066859932.db2.gz JBTKJHQGGSQBFY-XMMPIXPASA-N 1 0 451.998 4.878 20 0 JJADRO CCCc1c(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nnn1-c1cccc(Cl)c1 ZINC001457554415 1066859999 /nfs/dbraw/zinc/85/99/99/1066859999.db2.gz ZBPLQCSVKKKLGO-JOCHJYFZSA-N 1 0 452.002 4.610 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC001447797943 1066860305 /nfs/dbraw/zinc/86/03/05/1066860305.db2.gz JLARANCRCCNJHB-ZIFCJYIRSA-N 1 0 454.455 4.688 20 0 JJADRO CCn1cc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(=O)c2cc(Cl)ccc21 ZINC001457557016 1066860622 /nfs/dbraw/zinc/86/06/22/1066860622.db2.gz PXIQDNCVPOSLMU-SFHVURJKSA-N 1 0 451.998 4.837 20 0 JJADRO O=C(Nc1nc(-c2sccc2Br)cs1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001457556660 1066860643 /nfs/dbraw/zinc/86/06/43/1066860643.db2.gz RHRXXNXBOMIISF-LBPRGKRZSA-N 1 0 458.472 4.790 20 0 JJADRO Cc1cc(Cc2cnc(NC(=O)[C@@H]3CCN(c4cc[nH+]cc4)C3)s2)ccc1Br ZINC001457555662 1066860829 /nfs/dbraw/zinc/86/08/29/1066860829.db2.gz LBMNEZLJMCZIOF-MRXNPFEDSA-N 1 0 457.397 4.665 20 0 JJADRO Cc1ccc(/C=C\c2cc(C(=O)NC[C@H]3CC[N@@H+](C)C3)c3cc(Br)ccc3n2)o1 ZINC001457559595 1066861312 /nfs/dbraw/zinc/86/13/12/1066861312.db2.gz RRLQCSGATUPPGB-GMNBZTITSA-N 1 0 454.368 4.751 20 0 JJADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)C1 ZINC001457607938 1066876760 /nfs/dbraw/zinc/87/67/60/1066876760.db2.gz PQUIEWOPIWCNEQ-LJQANCHMSA-N 1 0 458.628 4.684 20 0 JJADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)C1 ZINC001457607929 1066876777 /nfs/dbraw/zinc/87/67/77/1066876777.db2.gz PQUIEWOPIWCNEQ-IBGZPJMESA-N 1 0 458.628 4.684 20 0 JJADRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cnn1-c1ccc(Br)cc1 ZINC001457608705 1066877357 /nfs/dbraw/zinc/87/73/57/1066877357.db2.gz GBQJFRWQOGJYFH-OAQYLSRUSA-N 1 0 459.432 4.718 20 0 JJADRO O=C(OCc1ccccc1)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001447921797 1066877401 /nfs/dbraw/zinc/87/74/01/1066877401.db2.gz RCQRMUNIEUOTCX-SVBPBHIXSA-N 1 0 456.586 4.685 20 0 JJADRO CCO[C@@H]1COCC[C@H]1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C ZINC001457610623 1066877944 /nfs/dbraw/zinc/87/79/44/1066877944.db2.gz GUROXXLXEMTWAL-VLCRHTCISA-N 1 0 459.458 4.740 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cccc(I)c1C ZINC001457613562 1066878496 /nfs/dbraw/zinc/87/84/96/1066878496.db2.gz QDFKNXZQIXTNHV-UHFFFAOYSA-N 1 0 456.393 4.645 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc4c(Br)cccc34)nc2)CC1 ZINC001457620246 1066882151 /nfs/dbraw/zinc/88/21/51/1066882151.db2.gz CXAATFWSDOZYRH-UHFFFAOYSA-N 1 0 453.384 4.780 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492718118 1066886130 /nfs/dbraw/zinc/88/61/30/1066886130.db2.gz UDMPOQMCEHQXCX-MSOLQXFVSA-N 1 0 470.065 4.706 20 0 JJADRO O=C(C1C[NH+](C2CCCCC2)C1)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC001447981507 1066888165 /nfs/dbraw/zinc/88/81/65/1066888165.db2.gz KMHAUJSAJYBZDF-DEOSSOPVSA-N 1 0 458.549 4.615 20 0 JJADRO O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001448008479 1066889971 /nfs/dbraw/zinc/88/99/71/1066889971.db2.gz YFLKQXJUMZKKCS-AUSIDOKSSA-N 1 0 456.428 4.899 20 0 JJADRO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)C(C)(C)C[NH+]3CCCCCC3)c2)c1 ZINC001448024021 1066891672 /nfs/dbraw/zinc/89/16/72/1066891672.db2.gz RCCFZBUUUFDSAI-UHFFFAOYSA-N 1 0 457.640 4.522 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1)c1cccc(C(F)(F)F)c1 ZINC001448072306 1066896865 /nfs/dbraw/zinc/89/68/65/1066896865.db2.gz YTTBJVSRGWEUEN-CTNGQTDRSA-N 1 0 453.892 4.661 20 0 JJADRO Cc1nc(SCC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[nH]c1Cc1ccccc1 ZINC001457684223 1066897043 /nfs/dbraw/zinc/89/70/43/1066897043.db2.gz JCATWGISFGCYDA-FQEVSTJZSA-N 1 0 454.684 4.904 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](C)[NH+]3CCC(C)CC3)C2)n1 ZINC001492730704 1066901201 /nfs/dbraw/zinc/90/12/01/1066901201.db2.gz BQTUUMUNADGTMB-GOTSBHOMSA-N 1 0 455.695 4.642 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4csc(C)n4)n3CCC[NH+](C(C)C)C(C)C)C2)n1 ZINC001492731422 1066902459 /nfs/dbraw/zinc/90/24/59/1066902459.db2.gz SYYQHGJRULGWOV-DEOSSOPVSA-N 1 0 498.745 4.798 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128276 1066903089 /nfs/dbraw/zinc/90/30/89/1066903089.db2.gz XHVNUZOKQWBZIU-JRFVFWCSSA-N 1 0 459.675 4.933 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)n1 ZINC001492732230 1066904622 /nfs/dbraw/zinc/90/46/22/1066904622.db2.gz LQVZMUVMNYUVTL-JTHBVZDNSA-N 1 0 461.614 4.541 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492732421 1066905110 /nfs/dbraw/zinc/90/51/10/1066905110.db2.gz OODIPPBAWGYRKJ-FYYLOGMGSA-N 1 0 479.673 4.697 20 0 JJADRO CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001546003327 1066908118 /nfs/dbraw/zinc/90/81/18/1066908118.db2.gz HKHYQIHBDPYAJA-QFIPXVFZSA-N 1 0 471.646 4.848 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)o3)n2Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC001492735550 1066908896 /nfs/dbraw/zinc/90/88/96/1066908896.db2.gz ANYKQZMDAQVOPW-UHFFFAOYSA-N 1 0 475.641 4.566 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2CCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC001492735583 1066909346 /nfs/dbraw/zinc/90/93/46/1066909346.db2.gz BNHFKNGRHAZAPU-IBGZPJMESA-N 1 0 485.627 4.566 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001492735607 1066909440 /nfs/dbraw/zinc/90/94/40/1066909440.db2.gz CHHHHXKOFNOALI-FQEVSTJZSA-N 1 0 469.684 4.510 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc32)cc1Cl ZINC001457753380 1066912302 /nfs/dbraw/zinc/91/23/02/1066912302.db2.gz QGOVXMKXHPUUIO-UHFFFAOYSA-N 1 0 452.986 4.911 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CC=CCC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492737679 1066912728 /nfs/dbraw/zinc/91/27/28/1066912728.db2.gz BCHDLVDJLYDNED-OTNCWRBYSA-N 1 0 467.706 4.690 20 0 JJADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 ZINC001457760377 1066913618 /nfs/dbraw/zinc/91/36/18/1066913618.db2.gz FUSQHXKKCVLYDG-JOCHJYFZSA-N 1 0 455.521 4.719 20 0 JJADRO CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001546003993 1066914121 /nfs/dbraw/zinc/91/41/21/1066914121.db2.gz UPZWLZDDYVFFGN-LJQANCHMSA-N 1 0 470.609 4.677 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492740102 1066914956 /nfs/dbraw/zinc/91/49/56/1066914956.db2.gz IQHAHQWCJHNSSQ-PTUXOGIPSA-N 1 0 455.695 4.665 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492740549 1066915879 /nfs/dbraw/zinc/91/58/79/1066915879.db2.gz ZBAFWOJSIXWKEJ-DEOSSOPVSA-N 1 0 481.664 4.814 20 0 JJADRO C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC001448295973 1066916631 /nfs/dbraw/zinc/91/66/31/1066916631.db2.gz MZHYRKOJOVXRJM-NQIIRXRSSA-N 1 0 450.023 4.725 20 0 JJADRO CCCCCCn1nc(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c2ccccc2c1=O ZINC001457774708 1066916595 /nfs/dbraw/zinc/91/65/95/1066916595.db2.gz SCKALESVMMYWGW-UHFFFAOYSA-N 1 0 452.643 4.753 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001492744225 1066919627 /nfs/dbraw/zinc/91/96/27/1066919627.db2.gz JLNGOAUALFENJI-OAQYLSRUSA-N 1 0 469.722 4.770 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492744318 1066919840 /nfs/dbraw/zinc/91/98/40/1066919840.db2.gz MCQQILFYJXDMRH-SFTDATJTSA-N 1 0 469.722 4.769 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)n2CCCC(F)(F)F)n1 ZINC001492745029 1066920449 /nfs/dbraw/zinc/92/04/49/1066920449.db2.gz FPLFXQXFKOMCIZ-FQEVSTJZSA-N 1 0 489.590 4.583 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCCC(C)(C)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001492749158 1066923939 /nfs/dbraw/zinc/92/39/39/1066923939.db2.gz VKYNYHGDALAZRT-JOCHJYFZSA-N 1 0 463.674 4.677 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC001448406916 1066924441 /nfs/dbraw/zinc/92/44/41/1066924441.db2.gz SCFHWBZUSPTKBE-LOSJGSFVSA-N 1 0 452.982 4.762 20 0 JJADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC001457809509 1066925768 /nfs/dbraw/zinc/92/57/68/1066925768.db2.gz ZJOATEPWHNVPAK-FIXSFTCYSA-N 1 0 470.455 4.844 20 0 JJADRO C[NH2+]C1(CNC(=O)c2cc(/C=C/c3ccc(C)o3)nc3ccc(Br)cc32)CCC1 ZINC001457818007 1066927543 /nfs/dbraw/zinc/92/75/43/1066927543.db2.gz IFEREZMQVJAPLU-SOFGYWHQSA-N 1 0 454.368 4.941 20 0 JJADRO CC(C)N1C(=O)C[C@H](C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001457819531 1066928086 /nfs/dbraw/zinc/92/80/86/1066928086.db2.gz FKXREXWAGUPJSZ-APTRMMRNSA-N 1 0 457.977 4.965 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(-c4ccc(C)o4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001492759029 1066930554 /nfs/dbraw/zinc/93/05/54/1066930554.db2.gz UDBKUDSTMKXZRA-HSZRJFAPSA-N 1 0 467.662 4.553 20 0 JJADRO Cc1cc(C)n(CCCn2c(C(C)C)nnc2N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC001492760127 1066932405 /nfs/dbraw/zinc/93/24/05/1066932405.db2.gz WFORBUULMIZARR-UHFFFAOYSA-N 1 0 463.674 4.654 20 0 JJADRO Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001492775571 1066946108 /nfs/dbraw/zinc/94/61/08/1066946108.db2.gz CFBGOYIGWVFRFC-FQEVSTJZSA-N 1 0 452.416 4.761 20 0 JJADRO Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001492776876 1066947081 /nfs/dbraw/zinc/94/70/81/1066947081.db2.gz JASLSULXDZHFOY-MAUKXSAKSA-N 1 0 495.981 4.530 20 0 JJADRO Cc1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001492780639 1066947539 /nfs/dbraw/zinc/94/75/39/1066947539.db2.gz WBPDZCZCDWMGEM-UHFFFAOYSA-N 1 0 452.043 4.767 20 0 JJADRO Cc1nnc(N(C)Cc2ccc(Br)o2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001492779476 1066947755 /nfs/dbraw/zinc/94/77/55/1066947755.db2.gz FNWDHFYLRZRNLF-HXUWFJFHSA-N 1 0 472.431 4.881 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)c1cc(Br)ncc1Cl)c1cccc(C(F)(F)F)c1 ZINC001457973790 1066950004 /nfs/dbraw/zinc/95/00/04/1066950004.db2.gz LLLJDBWYRYYVCK-CQSZACIVSA-N 1 0 450.686 4.549 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001546095549 1066950573 /nfs/dbraw/zinc/95/05/73/1066950573.db2.gz OVWFSEVGMBZDPY-RDGATRHJSA-N 1 0 453.656 4.547 20 0 JJADRO Cc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492796698 1066950759 /nfs/dbraw/zinc/95/07/59/1066950759.db2.gz FXFJCRKBHPKQFA-PMACEKPBSA-N 1 0 455.622 4.583 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1Br ZINC001457991561 1066953716 /nfs/dbraw/zinc/95/37/16/1066953716.db2.gz HDMRYBIUCWJRGB-HOTGVXAUSA-N 1 0 451.792 4.603 20 0 JJADRO Cc1nnc(N2CCC(OCCC(C)C)CC2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001492820845 1066955034 /nfs/dbraw/zinc/95/50/34/1066955034.db2.gz MRBNAWDFWQYJRU-RCZVLFRGSA-N 1 0 453.675 4.919 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001458000125 1066955226 /nfs/dbraw/zinc/95/52/26/1066955226.db2.gz LSPHVGHUNCKRLL-PQNGQFLHSA-N 1 0 451.611 4.764 20 0 JJADRO Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001492845189 1066957310 /nfs/dbraw/zinc/95/73/10/1066957310.db2.gz XQIVZMYOQMKCMI-KRWDZBQOSA-N 1 0 456.582 4.568 20 0 JJADRO Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001492847976 1066957793 /nfs/dbraw/zinc/95/77/93/1066957793.db2.gz MDSVCAMQQBEENF-RUZDIDTESA-N 1 0 496.700 4.582 20 0 JJADRO Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1Cc1cscc1C(F)(F)F ZINC001492876250 1066959525 /nfs/dbraw/zinc/95/95/25/1066959525.db2.gz NGTNWVFUXUSJSP-UHFFFAOYSA-N 1 0 453.509 4.567 20 0 JJADRO Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001492901780 1066959786 /nfs/dbraw/zinc/95/97/86/1066959786.db2.gz MBOSYDKSPYECAC-KRWDZBQOSA-N 1 0 484.998 4.850 20 0 JJADRO Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492901721 1066959926 /nfs/dbraw/zinc/95/99/26/1066959926.db2.gz LLOOKAJVBLSPFI-KRWDZBQOSA-N 1 0 484.998 4.707 20 0 JJADRO Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492901725 1066959996 /nfs/dbraw/zinc/95/99/96/1066959996.db2.gz LLOOKAJVBLSPFI-QGZVFWFLSA-N 1 0 484.998 4.707 20 0 JJADRO Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001492940574 1066960296 /nfs/dbraw/zinc/96/02/96/1066960296.db2.gz BQIZUZNGAMOHPP-QFIPXVFZSA-N 1 0 465.564 4.839 20 0 JJADRO C[C@H]1C[C@@H](CCNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C[N@@H+]1Cc1ccccc1 ZINC001458054305 1066962212 /nfs/dbraw/zinc/96/22/12/1066962212.db2.gz BOXJGIBKCFDOTR-AZUAARDMSA-N 1 0 456.512 4.922 20 0 JJADRO C[C@@H]1C[C@@H](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001458057819 1066963457 /nfs/dbraw/zinc/96/34/57/1066963457.db2.gz IEDRPVYBBFCUBC-SJLPKXTDSA-N 1 0 458.393 4.605 20 0 JJADRO CC(C)c1c(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cnn1-c1ccc(Cl)cc1 ZINC001448847622 1066963820 /nfs/dbraw/zinc/96/38/20/1066963820.db2.gz KIPPUFYFVSUSNH-UHFFFAOYSA-N 1 0 452.002 4.649 20 0 JJADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC001448903408 1066968345 /nfs/dbraw/zinc/96/83/45/1066968345.db2.gz XZCZGBVGQMRYRP-HSZRJFAPSA-N 1 0 456.428 4.764 20 0 JJADRO CC[C@@H](c1nnc(N(C)[C@H](C)c2ccco2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545717879 1066972172 /nfs/dbraw/zinc/97/21/72/1066972172.db2.gz SXJFTCSWPPAHFX-YFNKSVMNSA-N 1 0 465.642 4.967 20 0 JJADRO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC001545719473 1066973130 /nfs/dbraw/zinc/97/31/30/1066973130.db2.gz HKKAXZQKRNGAMF-WNMGUVTHSA-N 1 0 494.728 4.826 20 0 JJADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(C)c1Br ZINC001458094647 1066973356 /nfs/dbraw/zinc/97/33/56/1066973356.db2.gz QAUWVIIQJQXWNG-IBGZPJMESA-N 1 0 453.384 4.962 20 0 JJADRO CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546010966 1066977087 /nfs/dbraw/zinc/97/70/87/1066977087.db2.gz VVQKZBXHNCLUJC-LADGPHEKSA-N 1 0 469.674 4.824 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC001449040808 1066978568 /nfs/dbraw/zinc/97/85/68/1066978568.db2.gz FOMBLSFMACMKEL-DHIUTWEWSA-N 1 0 455.042 4.944 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC001449048512 1066979565 /nfs/dbraw/zinc/97/95/65/1066979565.db2.gz QKRSSLOYYYAANC-DOWJPCJRSA-N 1 0 470.657 4.957 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@H]2CCCOC2)n1CCC1CC[NH+](CC)CC1)c1ccccc1 ZINC001545723723 1066979491 /nfs/dbraw/zinc/97/94/91/1066979491.db2.gz DYKXKOVCRNTXIJ-ILBGXUMGSA-N 1 0 453.675 4.805 20 0 JJADRO CC[C@H](c1nnc(N(C)C[C@H]2CCCOC2)n1CCC1CC[NH+](CC)CC1)c1ccccc1 ZINC001545723724 1066979645 /nfs/dbraw/zinc/97/96/45/1066979645.db2.gz DYKXKOVCRNTXIJ-NOZRDPDXSA-N 1 0 453.675 4.805 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1)c1ccccc1 ZINC001545724022 1066980030 /nfs/dbraw/zinc/98/00/30/1066980030.db2.gz KPQRNXQRTXESAD-QRQOKOAMSA-N 1 0 494.728 4.635 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2nccs2)n1C[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545724435 1066981065 /nfs/dbraw/zinc/98/10/65/1066981065.db2.gz QGSQSCVAHLDIOP-VQTJNVASSA-N 1 0 450.612 4.809 20 0 JJADRO CC[C@@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545726823 1066984366 /nfs/dbraw/zinc/98/43/66/1066984366.db2.gz XWGYGTTXOJPSAA-XMMPIXPASA-N 1 0 483.701 4.777 20 0 JJADRO CC[C@@H](c1nnc(N(CC)C[C@@H]2CCCO2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545728069 1066985126 /nfs/dbraw/zinc/98/51/26/1066985126.db2.gz FJJGPPDCRQACIJ-BJKOFHAPSA-N 1 0 453.675 4.947 20 0 JJADRO C[NH+](C)C[C@H](CNC(=O)c1cc2c(cncc2Br)s1)c1ccc(Cl)cc1 ZINC001449159001 1066986174 /nfs/dbraw/zinc/98/61/74/1066986174.db2.gz JJSFJYKBEZASLZ-ZDUSSCGKSA-N 1 0 452.805 4.787 20 0 JJADRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccc(C)s4)C3)n2)n1 ZINC001449170694 1066986952 /nfs/dbraw/zinc/98/69/52/1066986952.db2.gz HTMHRRQHVHHGMH-SFHVURJKSA-N 1 0 458.031 4.502 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731967 1066992528 /nfs/dbraw/zinc/99/25/28/1066992528.db2.gz VSJSNBRKSCFLEJ-CQOQZXRMSA-N 1 0 461.658 4.636 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732043 1066993043 /nfs/dbraw/zinc/99/30/43/1066993043.db2.gz WQFHMWPQQPNIFT-ZZLPTCMGSA-N 1 0 492.634 4.623 20 0 JJADRO C[C@H]1C[C@@H](C(=O)Nc2nc3c(cc(OC(F)(F)F)cc3Br)s2)CC[N@@H+]1C ZINC001458164954 1066993591 /nfs/dbraw/zinc/99/35/91/1066993591.db2.gz BYINSZPXXNIOSM-IUCAKERBSA-N 1 0 452.296 4.626 20 0 JJADRO COc1cccc([C@H](C)[NH+]2CCN(c3ccnc(-c4ccc(Br)cc4)n3)CC2)c1 ZINC001458166835 1066994491 /nfs/dbraw/zinc/99/44/91/1066994491.db2.gz PHDPMNXJOBUNCD-KRWDZBQOSA-N 1 0 453.384 4.798 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545733625 1066995684 /nfs/dbraw/zinc/99/56/84/1066995684.db2.gz FHVKMZGHJUOHQT-ZEVJAHDQSA-N 1 0 494.728 4.541 20 0 JJADRO C/C(=C\C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1C(F)(F)F ZINC001449285816 1066995801 /nfs/dbraw/zinc/99/58/01/1066995801.db2.gz OSVDADIUZWWPKK-YDPLAMGBSA-N 1 0 457.540 4.527 20 0 JJADRO C/C(=C\C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1C(F)(F)F ZINC001449285836 1066995948 /nfs/dbraw/zinc/99/59/48/1066995948.db2.gz OSVDADIUZWWPKK-YMQJMOIJSA-N 1 0 457.540 4.527 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC001545733930 1066996422 /nfs/dbraw/zinc/99/64/22/1066996422.db2.gz KPZZXIYSXXQDMH-IZZNHLLZSA-N 1 0 480.745 4.966 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734524 1066997706 /nfs/dbraw/zinc/99/77/06/1066997706.db2.gz UTTHGIMAOAVXKZ-FBLLAGFSSA-N 1 0 494.728 4.539 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545734548 1066998111 /nfs/dbraw/zinc/99/81/11/1066998111.db2.gz VHQYDXMOIJIWLY-PXDATVDWSA-N 1 0 495.634 4.938 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C)(COC)CC2)n1CC[NH+]1CCCCCC1)c1ccccc1 ZINC001545735961 1066999474 /nfs/dbraw/zinc/99/94/74/1066999474.db2.gz JDKZMBWVOWPHFP-XMMPIXPASA-N 1 0 453.675 4.949 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545736184 1066999748 /nfs/dbraw/zinc/99/97/48/1066999748.db2.gz LRXBGJZERZBTDT-UKILVPOCSA-N 1 0 466.718 4.720 20 0 JJADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001449334937 1067000709 /nfs/dbraw/zinc/00/07/09/1067000709.db2.gz WNJHZMVYSHDMRA-UHFFFAOYSA-N 1 0 459.377 4.709 20 0 JJADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 ZINC001449333155 1067000760 /nfs/dbraw/zinc/00/07/60/1067000760.db2.gz OQOQICVJZXCFPG-DEOSSOPVSA-N 1 0 456.546 4.753 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC001449335331 1067001331 /nfs/dbraw/zinc/00/13/31/1067001331.db2.gz UNHMJBRDPYGJSW-UHFFFAOYSA-N 1 0 457.405 4.681 20 0 JJADRO CC[N@@H+]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)[C@@H](C)C1 ZINC001449337861 1067001498 /nfs/dbraw/zinc/00/14/98/1067001498.db2.gz SJCYHNCIZJUHCQ-SFHVURJKSA-N 1 0 450.608 4.657 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](CC(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001545738184 1067002274 /nfs/dbraw/zinc/00/22/74/1067002274.db2.gz DELBHZDKHZAGCV-ZCYQVOJMSA-N 1 0 467.702 4.928 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545738607 1067003303 /nfs/dbraw/zinc/00/33/03/1067003303.db2.gz KYABTSFMVWUINI-BJKOFHAPSA-N 1 0 453.675 4.661 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C[NH+](CC)CC)C2)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545738724 1067003565 /nfs/dbraw/zinc/00/35/65/1067003565.db2.gz NMRBRUZJCALOKX-ZQIDGUAPSA-N 1 0 467.702 4.929 20 0 JJADRO CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001449375133 1067005273 /nfs/dbraw/zinc/00/52/73/1067005273.db2.gz RJMBPGJBGUFARG-HXUWFJFHSA-N 1 0 456.455 4.744 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545740958 1067006928 /nfs/dbraw/zinc/00/69/28/1067006928.db2.gz HCNSKNKOEGTPMB-QHCPKHFHSA-N 1 0 484.689 4.654 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2ccc(I)cc21 ZINC001458229722 1067008258 /nfs/dbraw/zinc/00/82/58/1067008258.db2.gz PYBPZDGGKYXANP-BEFAXECRSA-N 1 0 458.347 4.557 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCOc1ncccc1Cl)c1ccccc1 ZINC001545742895 1067009213 /nfs/dbraw/zinc/00/92/13/1067009213.db2.gz AAZQOXLWPKTIMG-QFIPXVFZSA-N 1 0 483.060 4.914 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545743063 1067009227 /nfs/dbraw/zinc/00/92/27/1067009227.db2.gz CWBKBAIIVNPACC-NHCUHLMSSA-N 1 0 479.591 4.588 20 0 JJADRO CC[C@H](Cn1c(N(Cc2cccc(OC)c2)C[C@H]2CCCO2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014223 1067009632 /nfs/dbraw/zinc/00/96/32/1067009632.db2.gz DSMKFFQGRHEBJO-ISKFKSNPSA-N 1 0 469.674 4.644 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@]3(C2)CCCOC3)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545743386 1067010062 /nfs/dbraw/zinc/01/00/62/1067010062.db2.gz JGCUZLIBDVURLX-IGKIAQTJSA-N 1 0 453.675 4.946 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2oncc2C1)[NH+](C)C ZINC001545744135 1067011439 /nfs/dbraw/zinc/01/14/39/1067011439.db2.gz WXJRKVIMQHWYBM-GOTSBHOMSA-N 1 0 450.631 4.737 20 0 JJADRO COc1ccc(Cl)cc1[C@H](O)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001449491394 1067011716 /nfs/dbraw/zinc/01/17/16/1067011716.db2.gz PQPQHPACMWHMLO-INNMJMHTSA-N 1 0 479.020 4.588 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC[S@@](=O)CC)c1ccccc1 ZINC001545745521 1067012062 /nfs/dbraw/zinc/01/20/62/1067012062.db2.gz CBRRADPAIDTMBN-CUXGESSCSA-N 1 0 485.742 4.537 20 0 JJADRO CC[C@@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545745609 1067012381 /nfs/dbraw/zinc/01/23/81/1067012381.db2.gz DDYUXIGARRGOJL-ILBGXUMGSA-N 1 0 466.718 4.720 20 0 JJADRO CC[C@@H](c1nnc(N2CCC=C(Br)C2)n1CC[N@H+](CC)C1CC1)c1ccccc1 ZINC001545745966 1067013331 /nfs/dbraw/zinc/01/33/31/1067013331.db2.gz IPQXONULJURULJ-OAQYLSRUSA-N 1 0 458.448 4.793 20 0 JJADRO CC[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001546015234 1067013661 /nfs/dbraw/zinc/01/36/61/1067013661.db2.gz WOJSDBFTBRYZSH-YADHBBJMSA-N 1 0 457.688 4.759 20 0 JJADRO CC[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001546015232 1067013746 /nfs/dbraw/zinc/01/37/46/1067013746.db2.gz WOJSDBFTBRYZSH-FGZHOGPDSA-N 1 0 457.688 4.759 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545746576 1067015041 /nfs/dbraw/zinc/01/50/41/1067015041.db2.gz RBGPYNWCNYNKSC-WTIAFYNJSA-N 1 0 465.646 4.626 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545748740 1067017986 /nfs/dbraw/zinc/01/79/86/1067017986.db2.gz FEFHPVDPIVOWMR-ISJGIBHGSA-N 1 0 453.675 4.802 20 0 JJADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCC(=O)c1ccccc1 ZINC001449611575 1067018078 /nfs/dbraw/zinc/01/80/78/1067018078.db2.gz XEUUPJJYTHFGGM-QGZVFWFLSA-N 1 0 458.400 4.581 20 0 JJADRO O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC001458283247 1067020835 /nfs/dbraw/zinc/02/08/35/1067020835.db2.gz JVBINHKRCJLCQO-YTQUADARSA-N 1 0 456.505 4.832 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](COC)C2)n1C[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545749822 1067020890 /nfs/dbraw/zinc/02/08/90/1067020890.db2.gz UMFASTBTUGXRGB-YMPZKCBVSA-N 1 0 451.615 4.579 20 0 JJADRO COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001458285022 1067021374 /nfs/dbraw/zinc/02/13/74/1067021374.db2.gz VBVBSIBWQCTBGW-ZJSXRUAMSA-N 1 0 452.595 4.980 20 0 JJADRO C[N@H+](CCc1cccc(Nc2ncnc3cc(I)sc32)c1)C1CC1 ZINC001458286921 1067021847 /nfs/dbraw/zinc/02/18/47/1067021847.db2.gz DQMYLCDZNASSKO-UHFFFAOYSA-N 1 0 450.349 4.676 20 0 JJADRO CC[C@@H](Cn1c(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546016942 1067025247 /nfs/dbraw/zinc/02/52/47/1067025247.db2.gz LRABYYHFHUCBBG-ROUUACIJSA-N 1 0 467.584 4.507 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCOC1CCOCC1)c1ccccc1 ZINC001545752013 1067026013 /nfs/dbraw/zinc/02/60/13/1067026013.db2.gz PFLDBUCGJAIDMA-RUZDIDTESA-N 1 0 483.701 4.716 20 0 JJADRO CC[NH+](CC)CCCC1CCN(c2ncnc3cc(I)sc32)CC1 ZINC001458309593 1067026303 /nfs/dbraw/zinc/02/63/03/1067026303.db2.gz IJWJMFGBRWXZIT-UHFFFAOYSA-N 1 0 458.413 4.634 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CC(F)(F)CO1)c1ccccc1 ZINC001545752232 1067027332 /nfs/dbraw/zinc/02/73/32/1067027332.db2.gz SVIUEEQGCMUMIZ-NHCUHLMSSA-N 1 0 461.601 4.555 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CC(F)(F)CO1)c1ccccc1 ZINC001545752233 1067027785 /nfs/dbraw/zinc/02/77/85/1067027785.db2.gz SVIUEEQGCMUMIZ-RTWAWAEBSA-N 1 0 461.601 4.555 20 0 JJADRO CC[C@@H](Cn1c(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546017364 1067029919 /nfs/dbraw/zinc/02/99/19/1067029919.db2.gz SZIXOODCEKLTHY-NRFANRHFSA-N 1 0 487.762 4.526 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546099331 1067029917 /nfs/dbraw/zinc/02/99/17/1067029917.db2.gz BJSAXEMJSCBNCV-SQHAQQRYSA-N 1 0 469.674 4.681 20 0 JJADRO CC(C)(NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC001449831439 1067030739 /nfs/dbraw/zinc/03/07/39/1067030739.db2.gz MCBOKVGOBRKMKI-UHFFFAOYSA-N 1 0 453.936 4.922 20 0 JJADRO CC[C@@H](Cn1c(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546017635 1067032397 /nfs/dbraw/zinc/03/23/97/1067032397.db2.gz YORWLEGQLFWQGK-FPOVZHCZSA-N 1 0 477.600 4.629 20 0 JJADRO CC[C@H](Cn1c(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546017637 1067032506 /nfs/dbraw/zinc/03/25/06/1067032506.db2.gz YORWLEGQLFWQGK-TZIWHRDSSA-N 1 0 477.600 4.629 20 0 JJADRO CC[C@@H](Cn1c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546017707 1067033154 /nfs/dbraw/zinc/03/31/54/1067033154.db2.gz ZXHVZVOBDYDSSR-SFTDATJTSA-N 1 0 457.638 4.885 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@H](F)COC)c1ccccc1 ZINC001545756763 1067034418 /nfs/dbraw/zinc/03/44/18/1067034418.db2.gz NLUYYBTYILGICL-QFUKKKHRSA-N 1 0 457.638 4.505 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001545756962 1067034858 /nfs/dbraw/zinc/03/48/58/1067034858.db2.gz QPSQCHABSNTTCA-NVQXNPDNSA-N 1 0 480.701 4.532 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001449899173 1067035440 /nfs/dbraw/zinc/03/54/40/1067035440.db2.gz KRLVZCMAEMETBQ-HUVFLSCGSA-N 1 0 473.633 4.690 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545758179 1067037023 /nfs/dbraw/zinc/03/70/23/1067037023.db2.gz BAJALHKXWMLQRH-JTHBVZDNSA-N 1 0 492.634 4.625 20 0 JJADRO CC[NH+](CC)CCN(C(=O)C[C@H](NC(C)=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC001458347641 1067037993 /nfs/dbraw/zinc/03/79/93/1067037993.db2.gz JDQAWLXUIDQFKQ-IBGZPJMESA-N 1 0 455.546 4.709 20 0 JJADRO CC1(C)CN(C(=O)c2cc(Br)ccc2N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449944316 1067038226 /nfs/dbraw/zinc/03/82/26/1067038226.db2.gz NLJFMLCFULPPAR-QFIPXVFZSA-N 1 0 456.428 4.794 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545758707 1067039852 /nfs/dbraw/zinc/03/98/52/1067039852.db2.gz LQLBCUZNFHABJZ-QHCPKHFHSA-N 1 0 482.717 4.541 20 0 JJADRO CC[C@H](C)n1c2ccc(NC(=O)C3CCC([NH+]4CCOCC4)CC3)cc2nc1C(F)(F)F ZINC001449995829 1067040844 /nfs/dbraw/zinc/04/08/44/1067040844.db2.gz IRJHGSMODFGTRE-HJOIGYKYSA-N 1 0 452.521 4.856 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@](C)(O)C1CCCCC1)c1ccccc1 ZINC001545759346 1067042302 /nfs/dbraw/zinc/04/23/02/1067042302.db2.gz WPUFIAUHQHKGRY-LSYYVWMOSA-N 1 0 467.702 4.929 20 0 JJADRO CCOC(=O)c1cnc(CC)nc1NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001458368005 1067043459 /nfs/dbraw/zinc/04/34/59/1067043459.db2.gz DEPMZICCRPSDAC-QGZVFWFLSA-N 1 0 458.912 4.907 20 0 JJADRO O=C(Oc1cc(Cl)cnc1Br)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001458369337 1067043826 /nfs/dbraw/zinc/04/38/26/1067043826.db2.gz LAPUECACJRXNMM-RBUKOAKNSA-N 1 0 472.770 4.714 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001458369543 1067043858 /nfs/dbraw/zinc/04/38/58/1067043858.db2.gz PQWFPHPHSPVZPT-VWNXMTODSA-N 1 0 456.428 4.887 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545760561 1067043810 /nfs/dbraw/zinc/04/38/10/1067043810.db2.gz FUMJFVNGETTWES-OUMDNPPYSA-N 1 0 483.701 4.571 20 0 JJADRO CC[NH+]1CCC(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)(c2ccccc2)CC1 ZINC001450045365 1067043932 /nfs/dbraw/zinc/04/39/32/1067043932.db2.gz DLMAUCOZUIQMDZ-OAQYLSRUSA-N 1 0 455.440 4.894 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Oc1cc(Cl)cnc1Br ZINC001458371244 1067044491 /nfs/dbraw/zinc/04/44/91/1067044491.db2.gz WHAPACGRHAYASX-AWEZNQCLSA-N 1 0 453.764 4.970 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](CC)[C@H](C)C1)Oc1cccc(F)c1 ZINC001546019110 1067044919 /nfs/dbraw/zinc/04/49/19/1067044919.db2.gz OLDSVRWKZSVYKY-WDWDUUAGSA-N 1 0 487.664 4.724 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@H+](C)C2CC2)CCO1 ZINC001546099841 1067044839 /nfs/dbraw/zinc/04/48/39/1067044839.db2.gz NTCJTOWDORCVRU-DCFHFQCYSA-N 1 0 469.674 4.643 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)CCO1 ZINC001546099842 1067045142 /nfs/dbraw/zinc/04/51/42/1067045142.db2.gz NTCJTOWDORCVRU-HRFSGMKKSA-N 1 0 469.674 4.643 20 0 JJADRO C[C@H]1CN(C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC001450059726 1067045943 /nfs/dbraw/zinc/04/59/43/1067045943.db2.gz DLFIOFMZICEZMT-JPYJTQIMSA-N 1 0 457.412 4.902 20 0 JJADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001450063638 1067046477 /nfs/dbraw/zinc/04/64/77/1067046477.db2.gz HDATZICISKNTOU-IBGZPJMESA-N 1 0 453.435 4.862 20 0 JJADRO CC[C@@H](c1nnc(N2CCOC(C)(C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC001545763179 1067046930 /nfs/dbraw/zinc/04/69/30/1067046930.db2.gz DOUKJSBPJFAFBY-RPWUZVMVSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545763545 1067047346 /nfs/dbraw/zinc/04/73/46/1067047346.db2.gz JYWNUWQAQPNEBI-KIFXHHALSA-N 1 0 451.615 4.721 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545764320 1067048681 /nfs/dbraw/zinc/04/86/81/1067048681.db2.gz UFFQBBYJCRKQNF-ISJGIBHGSA-N 1 0 483.701 4.571 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546100176 1067049395 /nfs/dbraw/zinc/04/93/95/1067049395.db2.gz UNOLRWHOIYNYGZ-AWVRMFGXSA-N 1 0 483.701 4.847 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545765452 1067050224 /nfs/dbraw/zinc/05/02/24/1067050224.db2.gz BEEALFRHTABMRR-VRUIKYSZSA-N 1 0 453.675 4.539 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001450127491 1067051544 /nfs/dbraw/zinc/05/15/44/1067051544.db2.gz KRMDACPAOOWYGQ-JOCHJYFZSA-N 1 0 455.624 4.739 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCCC1)c1ccccc1 ZINC001545766283 1067051560 /nfs/dbraw/zinc/05/15/60/1067051560.db2.gz PKTWZONVZBOVNN-DNQXCXABSA-N 1 0 496.700 4.799 20 0 JJADRO CSc1ccc([C@H](CNC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)[NH+](C)C)cc1 ZINC001450132533 1067052150 /nfs/dbraw/zinc/05/21/50/1067052150.db2.gz PXXLLAJWVAOUPH-QHCPKHFHSA-N 1 0 452.599 4.645 20 0 JJADRO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)SC ZINC001545768067 1067053598 /nfs/dbraw/zinc/05/35/98/1067053598.db2.gz MCZIRGJBAXAYMO-UHFFFAOYSA-N 1 0 490.762 4.528 20 0 JJADRO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)SC ZINC001545768379 1067054306 /nfs/dbraw/zinc/05/43/06/1067054306.db2.gz UTPPKRRWSHTATH-QHCPKHFHSA-N 1 0 498.741 4.537 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001450233033 1067062028 /nfs/dbraw/zinc/06/20/28/1067062028.db2.gz FDRMLTONVXKBPU-FTLVJZLWSA-N 1 0 455.643 4.726 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001450240263 1067062870 /nfs/dbraw/zinc/06/28/70/1067062870.db2.gz OQKWHSGPAXMYIY-XALAGWIPSA-N 1 0 455.643 4.726 20 0 JJADRO C[C@H](NC(=O)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(C2CC2)c1 ZINC001450245193 1067063946 /nfs/dbraw/zinc/06/39/46/1067063946.db2.gz HYIJKQMDKKZJEO-YADARESESA-N 1 0 451.611 4.767 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001545774366 1067066365 /nfs/dbraw/zinc/06/63/65/1067066365.db2.gz MYOAXPXSOYFVQX-UHFFFAOYSA-N 1 0 478.479 4.752 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546101389 1067074572 /nfs/dbraw/zinc/07/45/72/1067074572.db2.gz CERTYPRKPIUDIC-OHUGHZGNSA-N 1 0 476.065 4.636 20 0 JJADRO CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)OC ZINC001545780868 1067076207 /nfs/dbraw/zinc/07/62/07/1067076207.db2.gz LRYJQIWMGNIXJF-HSZRJFAPSA-N 1 0 476.669 4.955 20 0 JJADRO CCC(O)(CC)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001546022541 1067077693 /nfs/dbraw/zinc/07/76/93/1067077693.db2.gz HOUWMTBLQYDOCK-RBBKRZOGSA-N 1 0 490.092 4.914 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001546101706 1067081199 /nfs/dbraw/zinc/08/11/99/1067081199.db2.gz JJJSXLCDOWVZTL-NLFFAJNJSA-N 1 0 476.065 4.780 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NCc1cccc(C2(C)OCCO2)c1)c1cccc(C(F)(F)F)c1 ZINC001450459305 1067082320 /nfs/dbraw/zinc/08/23/20/1067082320.db2.gz FWAGWJJQUVYKSP-NRFANRHFSA-N 1 0 450.501 4.624 20 0 JJADRO CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545787947 1067083230 /nfs/dbraw/zinc/08/32/30/1067083230.db2.gz CHQVPENGNDSCSC-IBGZPJMESA-N 1 0 475.628 4.663 20 0 JJADRO OC1(CCNc2nnc(-c3ccccc3)cc2C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC001458563942 1067087679 /nfs/dbraw/zinc/08/76/79/1067087679.db2.gz OOGQDTCHXRIFEO-UHFFFAOYSA-N 1 0 456.512 4.992 20 0 JJADRO C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541393 1067088563 /nfs/dbraw/zinc/08/85/63/1067088563.db2.gz OBUJTSLYGDVGHT-WMZHIEFXSA-N 1 0 455.549 4.538 20 0 JJADRO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC001450546845 1067089515 /nfs/dbraw/zinc/08/95/15/1067089515.db2.gz RGEBMEPXZIZIHY-RDGATRHJSA-N 1 0 452.643 4.700 20 0 JJADRO Cc1nc(COc2cccc(C(=O)NC[C@H](c3ccc(OC(C)C)cc3)[NH+](C)C)c2)cs1 ZINC001450548513 1067089710 /nfs/dbraw/zinc/08/97/10/1067089710.db2.gz RWVHOSGCJPTZNA-XMMPIXPASA-N 1 0 453.608 4.850 20 0 JJADRO CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001450553132 1067090430 /nfs/dbraw/zinc/09/04/30/1067090430.db2.gz ZEPZQZGOFKSEJY-QFIPXVFZSA-N 1 0 459.562 4.993 20 0 JJADRO CCC(CC)(Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC1(C)C)SC ZINC001545792880 1067091187 /nfs/dbraw/zinc/09/11/87/1067091187.db2.gz POEFJUVFSPCTNN-UHFFFAOYSA-N 1 0 484.758 4.943 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634035 1067099353 /nfs/dbraw/zinc/09/93/53/1067099353.db2.gz WDKQNAGOTYLPIS-VGOFRKELSA-N 1 0 456.011 4.555 20 0 JJADRO Cc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1NC(=O)CC[NH+](C)C ZINC001458641722 1067099993 /nfs/dbraw/zinc/09/99/93/1067099993.db2.gz CKPIURKHCBZWTK-UHFFFAOYSA-N 1 0 454.571 4.793 20 0 JJADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC001450669774 1067100636 /nfs/dbraw/zinc/10/06/36/1067100636.db2.gz GLXCGEPVTGUOCD-NRFANRHFSA-N 1 0 455.606 4.997 20 0 JJADRO CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001545799063 1067103841 /nfs/dbraw/zinc/10/38/41/1067103841.db2.gz WJQOXKVVTIQRHR-DEOSSOPVSA-N 1 0 490.092 4.741 20 0 JJADRO CCN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001458669816 1067104970 /nfs/dbraw/zinc/10/49/70/1067104970.db2.gz PJGJEFOKGJXRAI-QGZVFWFLSA-N 1 0 453.327 4.787 20 0 JJADRO Cc1cccc(CO[C@@H](C)C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)c1 ZINC001450699929 1067106094 /nfs/dbraw/zinc/10/60/94/1067106094.db2.gz KOUCBLPFKAQJBD-IBGZPJMESA-N 1 0 459.428 4.786 20 0 JJADRO CCC(CC)[C@H](CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545801219 1067108763 /nfs/dbraw/zinc/10/87/63/1067108763.db2.gz SLJNVEQLMVPPMC-FCMRCKMTSA-N 1 0 475.722 4.714 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+](C)C ZINC001545803209 1067111941 /nfs/dbraw/zinc/11/19/41/1067111941.db2.gz JQIKRBWRHMVZJJ-QHCPKHFHSA-N 1 0 498.716 4.907 20 0 JJADRO CCC(CC)[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)OC ZINC001545803189 1067111981 /nfs/dbraw/zinc/11/19/81/1067111981.db2.gz JEJRLWZRBITBKQ-UARRHKHWSA-N 1 0 475.722 4.713 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C)[NH+](C)C ZINC001545803802 1067114007 /nfs/dbraw/zinc/11/40/07/1067114007.db2.gz VDNVFSDHPZIJMO-QDSKXPNFSA-N 1 0 489.668 4.674 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001545803897 1067114757 /nfs/dbraw/zinc/11/47/57/1067114757.db2.gz WQPBVTZJPLULDB-HXUWFJFHSA-N 1 0 464.699 4.652 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC001545804883 1067116868 /nfs/dbraw/zinc/11/68/68/1067116868.db2.gz DEUGTISGACJODQ-DLBZAZTESA-N 1 0 458.598 4.812 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(OC)CC1)[NH+](C)C ZINC001545804970 1067117440 /nfs/dbraw/zinc/11/74/40/1067117440.db2.gz FZDRXOFPHOBRIC-REWPJTCUSA-N 1 0 495.510 4.798 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](OC)C1)[NH+](C)C ZINC001545805063 1067118280 /nfs/dbraw/zinc/11/82/80/1067118280.db2.gz HNOBHWXIFJMWKJ-FCHUYYIVSA-N 1 0 482.698 4.969 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001545805152 1067118323 /nfs/dbraw/zinc/11/83/23/1067118323.db2.gz IIPMLPWNYOBAJD-HMFYCAOWSA-N 1 0 463.667 4.865 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+](C)C ZINC001545805027 1067118337 /nfs/dbraw/zinc/11/83/37/1067118337.db2.gz GTGXTTSOJUNEGT-JOCHJYFZSA-N 1 0 457.663 4.714 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@H](C)C1)[NH+](C)C ZINC001545805268 1067118704 /nfs/dbraw/zinc/11/87/04/1067118704.db2.gz KIPUDWLXYRIRGS-IERDGZPVSA-N 1 0 496.469 4.828 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCOCC1 ZINC001545805336 1067118714 /nfs/dbraw/zinc/11/87/14/1067118714.db2.gz LRKUWEZYZGRBAV-OFVILXPXSA-N 1 0 469.674 4.717 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCSC2)C1)[NH+](C)C ZINC001545805383 1067119783 /nfs/dbraw/zinc/11/97/83/1067119783.db2.gz MIFPZIIHCQXAGW-RDGATRHJSA-N 1 0 457.688 4.654 20 0 JJADRO CC(C)Cc1ccc([C@@H](CNC(=O)c2cccc(I)c2)[NH+](C)C)cc1 ZINC001450778475 1067119891 /nfs/dbraw/zinc/11/98/91/1067119891.db2.gz CYHKKJCDPROMAN-HXUWFJFHSA-N 1 0 450.364 4.522 20 0 JJADRO C[C@H]1[C@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001450789470 1067121123 /nfs/dbraw/zinc/12/11/23/1067121123.db2.gz JOBYHXMSEWGVQU-XUZZJYLKSA-N 1 0 457.659 4.973 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cnn(C)c1)[NH+](C)C ZINC001545806116 1067122953 /nfs/dbraw/zinc/12/29/53/1067122953.db2.gz ZHDWDBWLIZUGEA-XMSQKQJNSA-N 1 0 483.730 4.868 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450803130 1067123346 /nfs/dbraw/zinc/12/33/46/1067123346.db2.gz OLXWHUWAJYAGJE-IIBYNOLFSA-N 1 0 452.565 4.783 20 0 JJADRO COC(=O)C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC001450803088 1067123373 /nfs/dbraw/zinc/12/33/73/1067123373.db2.gz OLOSCDWWAJICCE-JIPXPUAJSA-N 1 0 458.602 4.903 20 0 JJADRO C[C@H]1[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001450806771 1067124153 /nfs/dbraw/zinc/12/41/53/1067124153.db2.gz WVIDEPXKJUJTCY-FPOVZHCZSA-N 1 0 454.640 4.592 20 0 JJADRO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001450810011 1067125172 /nfs/dbraw/zinc/12/51/72/1067125172.db2.gz YTQNGRLJWCUYJB-UWJYYQICSA-N 1 0 451.567 4.841 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001546026375 1067125629 /nfs/dbraw/zinc/12/56/29/1067125629.db2.gz MTZFEJVVYYNAKZ-INIZCTEOSA-N 1 0 496.519 4.631 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1)[NH+](C)C ZINC001545807459 1067126286 /nfs/dbraw/zinc/12/62/86/1067126286.db2.gz IJJHJTLWZVQFNV-HSZRJFAPSA-N 1 0 495.672 4.570 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCc2cc(OC)c(OC)cc2CC1)[NH+](C)C ZINC001545807736 1067127589 /nfs/dbraw/zinc/12/75/89/1067127589.db2.gz NKOLYYXJFOLZRO-QHCPKHFHSA-N 1 0 495.668 4.835 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(C)C)[NH+]1CCOCC1 ZINC001545807725 1067127610 /nfs/dbraw/zinc/12/76/10/1067127610.db2.gz NGCORJXALPCOSU-RUZDIDTESA-N 1 0 464.658 4.723 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001545807777 1067128748 /nfs/dbraw/zinc/12/87/48/1067128748.db2.gz ODSCPXVKPHVGEZ-NRFANRHFSA-N 1 0 495.590 4.668 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCCO[C@@H](C)C1)[NH+](C)C ZINC001545807784 1067128910 /nfs/dbraw/zinc/12/89/10/1067128910.db2.gz OEJDALOHLOINKI-UWJYYQICSA-N 1 0 478.479 4.689 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001545807882 1067129498 /nfs/dbraw/zinc/12/94/98/1067129498.db2.gz PDIJASDHJCBWAN-ZODMCCGTSA-N 1 0 494.728 4.571 20 0 JJADRO C[C@]1(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC(c2cccc(Cl)c2F)=NO1 ZINC001450838727 1067129549 /nfs/dbraw/zinc/12/95/49/1067129549.db2.gz BXVHDEFIBDNIMW-KBMIEXCESA-N 1 0 457.977 4.781 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CCC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001450839100 1067130249 /nfs/dbraw/zinc/13/02/49/1067130249.db2.gz WTTDYRDUIPFMAH-DEOSSOPVSA-N 1 0 457.659 4.832 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C)[C@@H](C)C1)[NH+](C)C ZINC001545807938 1067130270 /nfs/dbraw/zinc/13/02/70/1067130270.db2.gz PTSKMKDOMYQAIP-IPJJNNNSSA-N 1 0 455.647 4.565 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001545807972 1067131039 /nfs/dbraw/zinc/13/10/39/1067131039.db2.gz QGZBOLJHIZDSIN-JRNKBRHVSA-N 1 0 490.092 4.738 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001545807971 1067131052 /nfs/dbraw/zinc/13/10/52/1067131052.db2.gz QGZBOLJHIZDSIN-IFXKSHNJSA-N 1 0 490.092 4.738 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1)[NH+](C)C ZINC001545808237 1067132972 /nfs/dbraw/zinc/13/29/72/1067132972.db2.gz VJSCPTKXKNALAM-RQTOMXEWSA-N 1 0 453.675 4.955 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCOCC1 ZINC001545808296 1067133074 /nfs/dbraw/zinc/13/30/74/1067133074.db2.gz WGPJIZRCUKTXLH-URXFXBBRSA-N 1 0 499.700 4.726 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCO1)[NH+](C)C ZINC001545808406 1067134479 /nfs/dbraw/zinc/13/44/79/1067134479.db2.gz XXBCOBGOAAJBMY-WIYYLYMNSA-N 1 0 478.479 4.689 20 0 JJADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)c1 ZINC001545808689 1067134961 /nfs/dbraw/zinc/13/49/61/1067134961.db2.gz GNBCQRLLRXJQKI-UHFFFAOYSA-N 1 0 451.592 4.727 20 0 JJADRO CCCCCC[C@@H](O)CCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001450908615 1067135305 /nfs/dbraw/zinc/13/53/05/1067135305.db2.gz SHESCPPBQVVVRC-XMMPIXPASA-N 1 0 450.067 4.565 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+]1CCOCC1 ZINC001545809630 1067136435 /nfs/dbraw/zinc/13/64/35/1067136435.db2.gz HTPFHVZJWRYYJY-LGVFNWMJSA-N 1 0 471.715 4.721 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1)[NH+](C)C ZINC001545809772 1067136969 /nfs/dbraw/zinc/13/69/69/1067136969.db2.gz JTYOFYDCUVMWPG-MBWHEUGSSA-N 1 0 460.066 4.826 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Br)o1)[NH+](C)C ZINC001545810139 1067137401 /nfs/dbraw/zinc/13/74/01/1067137401.db2.gz QJUISSUZPZVKNL-SFHVURJKSA-N 1 0 463.424 4.632 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OC)c(C)cc2C1)[NH+](C)C ZINC001545810130 1067137456 /nfs/dbraw/zinc/13/74/56/1067137456.db2.gz QEQKQAMAWLGDRB-HSZRJFAPSA-N 1 0 450.631 4.519 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1nc2ccccc2s1)[NH+](C)C ZINC001545810101 1067137592 /nfs/dbraw/zinc/13/75/92/1067137592.db2.gz PWBFAPZLILYMMU-OAQYLSRUSA-N 1 0 463.655 4.953 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc2ccccc2s1)[NH+](C)C ZINC001545810355 1067138192 /nfs/dbraw/zinc/13/81/92/1067138192.db2.gz VBZYFYKQNPZTIC-HXUWFJFHSA-N 1 0 451.644 4.886 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(C)=C(Br)C1)[NH+](C)C ZINC001545810533 1067138753 /nfs/dbraw/zinc/13/87/53/1067138753.db2.gz XZBDZWNYGNTGCE-HXUWFJFHSA-N 1 0 461.452 4.586 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1)[NH+](C)C ZINC001545810545 1067138830 /nfs/dbraw/zinc/13/88/30/1067138830.db2.gz YAQRSJGFDPJYFL-ZEQRLZLVSA-N 1 0 486.611 4.506 20 0 JJADRO CN(C/C=C/C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC001451026846 1067139940 /nfs/dbraw/zinc/13/99/40/1067139940.db2.gz BKINXMMGTXBUJY-ZRGXPQFDSA-N 1 0 451.577 4.720 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC001545811916 1067140183 /nfs/dbraw/zinc/14/01/83/1067140183.db2.gz FJDQAFHQFDGZPH-XMSQKQJNSA-N 1 0 463.630 4.989 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(COC)CC1)[NH+](C)C ZINC001545812283 1067140784 /nfs/dbraw/zinc/14/07/84/1067140784.db2.gz LKJIYVXGHNTIHN-DEOSSOPVSA-N 1 0 452.647 4.656 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001545812479 1067141255 /nfs/dbraw/zinc/14/12/55/1067141255.db2.gz PFNLSNUAOJEAQG-RPWUZVMVSA-N 1 0 457.638 4.611 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC001545814401 1067142467 /nfs/dbraw/zinc/14/24/67/1067142467.db2.gz AQWAPYNFPWKIAO-ZODMCCGTSA-N 1 0 469.674 4.507 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1scnc1C)[NH+](C)C ZINC001545814750 1067143027 /nfs/dbraw/zinc/14/30/27/1067143027.db2.gz GSPYKDVNXMCWDG-SIKLNZKXSA-N 1 0 484.670 4.558 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC001545815469 1067144756 /nfs/dbraw/zinc/14/47/56/1067144756.db2.gz QTFPZYYTUZKFLK-KNQAVFIVSA-N 1 0 473.735 4.642 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCN(c2ccccc2Cl)CC1)[NH+](C)C ZINC001545815221 1067144805 /nfs/dbraw/zinc/14/48/05/1067144805.db2.gz NOTVLZCOPYBTDE-QHCPKHFHSA-N 1 0 459.082 4.892 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCN(c2ccc(C)cc2)CC1)[NH+](C)C ZINC001545815799 1067145202 /nfs/dbraw/zinc/14/52/02/1067145202.db2.gz WCGIZSZFVIPPPC-VWLOTQADSA-N 1 0 452.691 4.937 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001545816043 1067146100 /nfs/dbraw/zinc/14/61/00/1067146100.db2.gz ZHWKDWXPUPHGDB-GOTSBHOMSA-N 1 0 461.601 4.768 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCSC2)C1)[NH+](C)C ZINC001545817193 1067147229 /nfs/dbraw/zinc/14/72/29/1067147229.db2.gz GASGRWLONORTMH-DHLKQENFSA-N 1 0 477.669 4.847 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](c2ccnn2C)C1)[NH+](C)C ZINC001545817250 1067147827 /nfs/dbraw/zinc/14/78/27/1067147827.db2.gz HAPLDQIVYRPIKQ-AOYPEHQESA-N 1 0 477.701 4.661 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](c2ccnn2C)C1)[NH+](C)C ZINC001545817249 1067147983 /nfs/dbraw/zinc/14/79/83/1067147983.db2.gz HAPLDQIVYRPIKQ-AHWVRZQESA-N 1 0 477.701 4.661 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001545817282 1067148035 /nfs/dbraw/zinc/14/80/35/1067148035.db2.gz HMGDBADXXSHVGN-GOTSBHOMSA-N 1 0 492.133 4.601 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](c2ccnn2C)C1)[NH+](C)C ZINC001545817252 1067148046 /nfs/dbraw/zinc/14/80/46/1067148046.db2.gz HAPLDQIVYRPIKQ-RSXGOPAZSA-N 1 0 477.701 4.661 20 0 JJADRO Cc1cc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)ccc1OCC[NH+](C)C ZINC001451129301 1067148131 /nfs/dbraw/zinc/14/81/31/1067148131.db2.gz DJKLICUJMNREGV-IBGZPJMESA-N 1 0 453.583 4.803 20 0 JJADRO Cc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)ccc1OCC[NH+](C)C ZINC001451130555 1067148837 /nfs/dbraw/zinc/14/88/37/1067148837.db2.gz HIKUEZDTUFLPKF-UHFFFAOYSA-N 1 0 456.949 4.655 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)[NH+](C)C ZINC001545817433 1067149156 /nfs/dbraw/zinc/14/91/56/1067149156.db2.gz KBKGIGRXINNEDV-AKFKNWHVSA-N 1 0 474.093 4.752 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCC[C@@H](SC)C1)[NH+]1CCOCC1 ZINC001545817390 1067149224 /nfs/dbraw/zinc/14/92/24/1067149224.db2.gz JIMISGSUHANFKN-FGZHOGPDSA-N 1 0 465.752 4.726 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545817379 1067149252 /nfs/dbraw/zinc/14/92/52/1067149252.db2.gz IZERITMZFWMXED-LOSJGSFVSA-N 1 0 497.087 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2cc(C)ccc2C)CC1)[NH+](C)C ZINC001545817572 1067149893 /nfs/dbraw/zinc/14/98/93/1067149893.db2.gz LVYNBBHFFVQKFN-VWLOTQADSA-N 1 0 454.707 4.786 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC001545817523 1067149985 /nfs/dbraw/zinc/14/99/85/1067149985.db2.gz LIBQQKNXZSPXNV-HSZRJFAPSA-N 1 0 477.644 4.918 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+](C)C ZINC001545817773 1067151102 /nfs/dbraw/zinc/15/11/02/1067151102.db2.gz PJVHDROHCKUDPL-RUZDIDTESA-N 1 0 464.633 4.641 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(C)CC1)[NH+]1CCOCC1 ZINC001545817681 1067151189 /nfs/dbraw/zinc/15/11/89/1067151189.db2.gz OAUMMRATXJYHEV-DEOSSOPVSA-N 1 0 471.665 4.771 20 0 JJADRO COC(=O)c1cc(CSc2nc3ccccc3c(=O)n2CC[NH+](C(C)C)C(C)C)cs1 ZINC001458809374 1067151332 /nfs/dbraw/zinc/15/13/32/1067151332.db2.gz GODDVERBVBWEEY-UHFFFAOYSA-N 1 0 459.637 4.656 20 0 JJADRO COc1cccc(-c2nnc(SCC[N@H+](C)Cc3ccc(F)cc3)n2Cc2ccco2)c1 ZINC001458808025 1067151376 /nfs/dbraw/zinc/15/13/76/1067151376.db2.gz FLJDJCNSPQUCES-UHFFFAOYSA-N 1 0 452.555 4.958 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545818162 1067152506 /nfs/dbraw/zinc/15/25/06/1067152506.db2.gz WVCRLZUHUAJPQA-JWQCQUIFSA-N 1 0 497.087 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCOCC1 ZINC001545819287 1067153619 /nfs/dbraw/zinc/15/36/19/1067153619.db2.gz COIQZBMLUUCOIX-BVAGGSTKSA-N 1 0 467.702 4.827 20 0 JJADRO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@H]([C@@H]1CCOC1)C(F)(F)F)C(C)C ZINC001458818445 1067154390 /nfs/dbraw/zinc/15/43/90/1067154390.db2.gz XIHRDCZOHSSELZ-VQIMIIECSA-N 1 0 457.562 4.575 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCOCC1 ZINC001545819396 1067154392 /nfs/dbraw/zinc/15/43/92/1067154392.db2.gz FDEMNPDNVPTIAQ-SQJMNOBHSA-N 1 0 487.664 4.760 20 0 JJADRO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3C)cc2)cc1C ZINC001451211938 1067154590 /nfs/dbraw/zinc/15/45/90/1067154590.db2.gz OQPLLJAODQGWLC-UHFFFAOYSA-N 1 0 451.592 4.727 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CCC[C@@H]2c2ccc(COC)o2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819443 1067154757 /nfs/dbraw/zinc/15/47/57/1067154757.db2.gz FZLNGCLHSBJYAU-PKTZIBPZSA-N 1 0 487.689 4.794 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001545819464 1067154868 /nfs/dbraw/zinc/15/48/68/1067154868.db2.gz GJWHDWKZJJRCLR-REWPJTCUSA-N 1 0 490.737 4.823 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CCC[C@@H]2c2ccc(COC)o2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819441 1067154877 /nfs/dbraw/zinc/15/48/77/1067154877.db2.gz FZLNGCLHSBJYAU-DHIUTWEWSA-N 1 0 487.689 4.794 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001545819616 1067155441 /nfs/dbraw/zinc/15/54/41/1067155441.db2.gz JMQJJDYQBTXKNI-XMMPIXPASA-N 1 0 473.637 4.514 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@H](c3ccccc3OC)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545820189 1067157840 /nfs/dbraw/zinc/15/78/40/1067157840.db2.gz SEDKGZCGNDXTSJ-UPVQGACJSA-N 1 0 483.701 4.715 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CCc3cc(OC)c(OC)cc3CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001545820274 1067158397 /nfs/dbraw/zinc/15/83/97/1067158397.db2.gz VCAHYGHNYQGBOM-QFIPXVFZSA-N 1 0 471.690 4.564 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1)[NH+](C)C ZINC001545820263 1067158464 /nfs/dbraw/zinc/15/84/64/1067158464.db2.gz UYBRMGCHQDPMMD-PSWRPDDJSA-N 1 0 476.710 4.652 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCOC[C@H](C2CCC2)C1)[NH+](C)C ZINC001545820445 1067159135 /nfs/dbraw/zinc/15/91/35/1067159135.db2.gz XMTJNTARLCZMDA-PKTZIBPZSA-N 1 0 459.704 4.550 20 0 JJADRO COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c3cccnc23)[NH+]2CCCCC2)cc1 ZINC001458829174 1067160800 /nfs/dbraw/zinc/16/08/00/1067160800.db2.gz OLFXYERGYOVXRL-JOCHJYFZSA-N 1 0 453.970 4.619 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545821412 1067161180 /nfs/dbraw/zinc/16/11/80/1067161180.db2.gz CKGRUCMVWXOTJO-ZRBLBEILSA-N 1 0 476.065 4.727 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001545821433 1067161299 /nfs/dbraw/zinc/16/12/99/1067161299.db2.gz CZYNSNOKXJPNLI-TZRRMPRUSA-N 1 0 475.722 4.714 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(C1)CCC(F)(F)CC2)[NH+](C)C ZINC001545821773 1067162485 /nfs/dbraw/zinc/16/24/85/1067162485.db2.gz LQZYOXBVJPBIEI-FKBYEOEOSA-N 1 0 497.675 4.774 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1)[NH+](C)C ZINC001545822219 1067163710 /nfs/dbraw/zinc/16/37/10/1067163710.db2.gz WQZAAYHIQBGQKE-MVWVFHAYSA-N 1 0 461.676 4.524 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)on1 ZINC001545823385 1067166295 /nfs/dbraw/zinc/16/62/95/1067166295.db2.gz KWBUCECIWZYSGR-DLBZAZTESA-N 1 0 472.037 4.852 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001451637535 1067181745 /nfs/dbraw/zinc/18/17/45/1067181745.db2.gz HHLPQKAYYGQGIH-PBHPDBLUSA-N 1 0 450.476 4.669 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001545830626 1067182207 /nfs/dbraw/zinc/18/22/07/1067182207.db2.gz YXGOGWPYCBTOAW-DFQSSKMNSA-N 1 0 460.692 4.576 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001545830629 1067182251 /nfs/dbraw/zinc/18/22/51/1067182251.db2.gz YXGOGWPYCBTOAW-SXLOBPIMSA-N 1 0 460.692 4.576 20 0 JJADRO COc1ccc2cc([C@H](C)C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CCN(C)CC3)ccc2c1 ZINC001458875610 1067182141 /nfs/dbraw/zinc/18/21/41/1067182141.db2.gz KWQRIFKVPPJUGJ-RZDWPUGNSA-N 1 0 451.655 4.748 20 0 JJADRO C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875667 1067183196 /nfs/dbraw/zinc/18/31/96/1067183196.db2.gz LFKGUBOUDLJVDR-YSZBQJHXSA-N 1 0 453.593 4.995 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)ccc2F)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001545833909 1067184221 /nfs/dbraw/zinc/18/42/21/1067184221.db2.gz PFTXBQHWOLZHFB-HXUWFJFHSA-N 1 0 486.680 4.791 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545835375 1067187108 /nfs/dbraw/zinc/18/71/08/1067187108.db2.gz WABQTMGFROUVAF-FQEVSTJZSA-N 1 0 480.657 4.700 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001545836634 1067190185 /nfs/dbraw/zinc/19/01/85/1067190185.db2.gz SWOUXARWGQDGNG-NIYFSFCBSA-N 1 0 489.108 4.997 20 0 JJADRO Cc1cccc(COc2ccc(CNC(=O)CCC[NH+]3CCN(c4ccccc4)CC3)cc2)c1 ZINC001458913810 1067195417 /nfs/dbraw/zinc/19/54/17/1067195417.db2.gz JKSBCAYPWNVWAJ-UHFFFAOYSA-N 1 0 457.618 4.793 20 0 JJADRO CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C(C)(C)C)CC4)n[nH]2)c1C ZINC001451893551 1067196507 /nfs/dbraw/zinc/19/65/07/1067196507.db2.gz YAXSWJSRMNSVML-CYBMUJFWSA-N 1 0 455.632 4.726 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546104760 1067198308 /nfs/dbraw/zinc/19/83/08/1067198308.db2.gz IHZPUQNRWRPJTE-ROUUACIJSA-N 1 0 493.494 4.552 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001545846034 1067198663 /nfs/dbraw/zinc/19/86/63/1067198663.db2.gz ZLGJLGLXZPPZQA-OAQYLSRUSA-N 1 0 472.703 4.547 20 0 JJADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 ZINC001451966740 1067201134 /nfs/dbraw/zinc/20/11/34/1067201134.db2.gz IUJJLIFLOSKXCN-QHCPKHFHSA-N 1 0 454.014 4.503 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001545849152 1067202552 /nfs/dbraw/zinc/20/25/52/1067202552.db2.gz LBZRQFPQCVNMNG-NHCUHLMSSA-N 1 0 460.711 4.581 20 0 JJADRO CC(C)N(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001452138256 1067208977 /nfs/dbraw/zinc/20/89/77/1067208977.db2.gz QZAXZIKAGWMQGU-FWWADLIHSA-N 1 0 455.643 4.701 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001546105219 1067212045 /nfs/dbraw/zinc/21/20/45/1067212045.db2.gz ZDLOIHMMNINKFV-JOCHJYFZSA-N 1 0 487.092 4.558 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001546105193 1067212069 /nfs/dbraw/zinc/21/20/69/1067212069.db2.gz XXTKOAAPMYCDBH-OAQYLSRUSA-N 1 0 487.714 4.630 20 0 JJADRO Cn1c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001452180127 1067212734 /nfs/dbraw/zinc/21/27/34/1067212734.db2.gz RSBBEPUONRGVNW-AOHZBQACSA-N 1 0 480.653 4.562 20 0 JJADRO CCC(O)(CC)Cn1c(Cc2ccccc2F)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001546037123 1067215660 /nfs/dbraw/zinc/21/56/60/1067215660.db2.gz UMAGLPUDSNBEDS-UHFFFAOYSA-N 1 0 471.665 4.652 20 0 JJADRO CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001546038249 1067221921 /nfs/dbraw/zinc/22/19/21/1067221921.db2.gz HAHZMDMCIZDBFH-JOCHJYFZSA-N 1 0 453.675 4.663 20 0 JJADRO COc1c(Br)cccc1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001452528969 1067231619 /nfs/dbraw/zinc/23/16/19/1067231619.db2.gz DUBVCJBLFNFYEP-UHFFFAOYSA-N 1 0 457.412 4.976 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001452531997 1067231995 /nfs/dbraw/zinc/23/19/95/1067231995.db2.gz QHBFSVYXLCZBTB-BJKOFHAPSA-N 1 0 469.670 4.975 20 0 JJADRO CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001452532233 1067232614 /nfs/dbraw/zinc/23/26/14/1067232614.db2.gz XNSQYQGQYGDEID-SANMLTNESA-N 1 0 457.659 4.832 20 0 JJADRO CCN(CC)Cc1csc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)n1 ZINC001452545276 1067233100 /nfs/dbraw/zinc/23/31/00/1067233100.db2.gz ZTSISXHUIDTRFV-GIOYIUAESA-N 1 0 450.649 4.643 20 0 JJADRO C[N@@H+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C[C@@H]1C(C)(C)C ZINC001452600190 1067236365 /nfs/dbraw/zinc/23/63/65/1067236365.db2.gz NPZMLQXBCZBMOX-HXUWFJFHSA-N 1 0 458.400 4.504 20 0 JJADRO C[N@@H+]1CCN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C[C@H]1C(C)(C)C ZINC001452605220 1067236394 /nfs/dbraw/zinc/23/63/94/1067236394.db2.gz WDARWQMMNVEKRV-QHCPKHFHSA-N 1 0 459.700 4.810 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCSCC2)C1 ZINC001546105884 1067246342 /nfs/dbraw/zinc/24/63/42/1067246342.db2.gz AMSSSUVHEYTPNJ-UHFFFAOYSA-N 1 0 478.504 4.773 20 0 JJADRO Cc1sc2ncnc(SCC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@H](C)[C@H]3C)c2c1C ZINC001452779546 1067251839 /nfs/dbraw/zinc/25/18/39/1067251839.db2.gz XVLKRQVGRMBYMJ-CGTJXYLNSA-N 1 0 454.665 4.910 20 0 JJADRO Cc1sc2ncnc(SCC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@H](C)[C@@H]3C)c2c1C ZINC001452779551 1067251903 /nfs/dbraw/zinc/25/19/03/1067251903.db2.gz XVLKRQVGRMBYMJ-JQHSSLGASA-N 1 0 454.665 4.910 20 0 JJADRO O=C(OCc1ccccc1)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459116206 1067253522 /nfs/dbraw/zinc/25/35/22/1067253522.db2.gz UREMIZJFNYIAMI-SVBPBHIXSA-N 1 0 456.586 4.542 20 0 JJADRO CCOC(=O)c1c2c(sc1NC(=O)CS[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC001459138200 1067258388 /nfs/dbraw/zinc/25/83/88/1067258388.db2.gz CBIVSBUREGUBFV-SFHVURJKSA-N 1 0 458.649 4.750 20 0 JJADRO C[NH+](C)CCc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001459150785 1067262083 /nfs/dbraw/zinc/26/20/83/1067262083.db2.gz UNNZIQRFZXGLTH-UHFFFAOYSA-N 1 0 454.308 4.565 20 0 JJADRO COc1ccc([C@@H](CNC(=O)CSc2cc(C(F)(F)F)ccn2)[NH+]2CCCCC2)cc1 ZINC001459187287 1067268735 /nfs/dbraw/zinc/26/87/35/1067268735.db2.gz OZKNRWLWEJXEEP-LJQANCHMSA-N 1 0 453.530 4.545 20 0 JJADRO Cc1cc(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001452968437 1067269168 /nfs/dbraw/zinc/26/91/68/1067269168.db2.gz DFVPKNGFAYIFKL-FQEVSTJZSA-N 1 0 457.405 4.877 20 0 JJADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC001452977706 1067270078 /nfs/dbraw/zinc/27/00/78/1067270078.db2.gz WWKIAIBPKIOZKM-UHFFFAOYSA-N 1 0 456.428 4.684 20 0 JJADRO COc1cccc(N2CC[NH+](CCSCc3c(F)ccc(Br)c3F)CC2)c1 ZINC001459253529 1067277609 /nfs/dbraw/zinc/27/76/09/1067277609.db2.gz XPCGSZVOPPWWIH-UHFFFAOYSA-N 1 0 457.384 4.791 20 0 JJADRO COc1cccc(N2CC[NH+](CCS[C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001459253503 1067277797 /nfs/dbraw/zinc/27/77/97/1067277797.db2.gz XLEZRJSOTVOPNP-FQEVSTJZSA-N 1 0 455.668 4.875 20 0 JJADRO COc1cccc(C[NH+]2CCC(NC(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)CC2)c1 ZINC001453142112 1067283171 /nfs/dbraw/zinc/28/31/71/1067283171.db2.gz IQKZBNHDLBYTBX-NRFANRHFSA-N 1 0 456.586 4.811 20 0 JJADRO COc1cccc(C[NH+]2CCC(NC(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)CC2)c1 ZINC001453142118 1067283196 /nfs/dbraw/zinc/28/31/96/1067283196.db2.gz IQKZBNHDLBYTBX-OAQYLSRUSA-N 1 0 456.586 4.811 20 0 JJADRO COc1ccc(C[N@H+](C)CC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1F ZINC001459307094 1067289124 /nfs/dbraw/zinc/28/91/24/1067289124.db2.gz AQLPIVISMLXKPW-DEOSSOPVSA-N 1 0 456.583 4.684 20 0 JJADRO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC001459311285 1067291117 /nfs/dbraw/zinc/29/11/17/1067291117.db2.gz JITMBOISGASCBI-UHFFFAOYSA-N 1 0 451.430 4.519 20 0 JJADRO COc1ccccc1OCC[N@H+](C)CCOc1c(Br)cccc1Br ZINC001459322969 1067294466 /nfs/dbraw/zinc/29/44/66/1067294466.db2.gz DSCMMEFNNKQPCC-UHFFFAOYSA-N 1 0 459.178 4.610 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)CCCNC(=O)OC(C)(C)C)c1 ZINC001453304920 1067295946 /nfs/dbraw/zinc/29/59/46/1067295946.db2.gz XEWRHKQOCOQQEA-LOSJGSFVSA-N 1 0 465.638 4.584 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)O1 ZINC001546049317 1067295973 /nfs/dbraw/zinc/29/59/73/1067295973.db2.gz YFXVPMRRQAMGTH-RBISFHTESA-N 1 0 499.700 4.868 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1 ZINC001453317324 1067296736 /nfs/dbraw/zinc/29/67/36/1067296736.db2.gz DFPJNKKPOVXKNE-KRWDZBQOSA-N 1 0 453.384 4.662 20 0 JJADRO CCC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H](C)c1cc2ccccc2o1 ZINC001459342828 1067298823 /nfs/dbraw/zinc/29/88/23/1067298823.db2.gz GJMSLKUETXFMLI-KRWDZBQOSA-N 1 0 451.523 4.715 20 0 JJADRO Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC(CC[NH+](C)C)CC3)nc21 ZINC001459348120 1067300163 /nfs/dbraw/zinc/30/01/63/1067300163.db2.gz IIEAVVHBWCFZFH-UHFFFAOYSA-N 1 0 450.652 4.802 20 0 JJADRO Cc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC001459349389 1067300729 /nfs/dbraw/zinc/30/07/29/1067300729.db2.gz KWZAEEYUIRSONL-IBGZPJMESA-N 1 0 459.546 4.916 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[NH+]3CCC(CC(=O)NC4CCCC4)CC3)cccc2C1 ZINC001459351945 1067301109 /nfs/dbraw/zinc/30/11/09/1067301109.db2.gz YAYZZSMOTDZUTO-UHFFFAOYSA-N 1 0 455.643 4.641 20 0 JJADRO COc1cc2c(cc1OC)CC[NH+](Cc1cccc3c1CCN(C(=O)OC(C)(C)C)C3)CC2 ZINC001459354645 1067301742 /nfs/dbraw/zinc/30/17/42/1067301742.db2.gz GBFJKAUTVBSGOC-UHFFFAOYSA-N 1 0 452.595 4.598 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)CC1 ZINC001459362030 1067303617 /nfs/dbraw/zinc/30/36/17/1067303617.db2.gz KLSWHNMLMKDFDH-UHFFFAOYSA-N 1 0 450.693 4.595 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2)C1 ZINC001453400575 1067304513 /nfs/dbraw/zinc/30/45/13/1067304513.db2.gz NRRGLWZONFIKJT-OFNKIYASSA-N 1 0 457.615 4.588 20 0 JJADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001453406465 1067304613 /nfs/dbraw/zinc/30/46/13/1067304613.db2.gz UFDPIUQRJYADJW-FQEVSTJZSA-N 1 0 451.014 4.972 20 0 JJADRO CCCCCC[N@H+](C)CC(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 ZINC001453458270 1067307173 /nfs/dbraw/zinc/30/71/73/1067307173.db2.gz BIUAZICWCPCMEC-UHFFFAOYSA-N 1 0 450.406 4.900 20 0 JJADRO CC(C)[C@H]1CN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC001453496444 1067309262 /nfs/dbraw/zinc/30/92/62/1067309262.db2.gz MFPKZDMSYGGFBE-OAQYLSRUSA-N 1 0 457.496 4.942 20 0 JJADRO COc1cccc(OC)c1OC1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001459391087 1067311451 /nfs/dbraw/zinc/31/14/51/1067311451.db2.gz LFUKOHHWZNIADL-UHFFFAOYSA-N 1 0 452.639 4.892 20 0 JJADRO CN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccc(C(F)(F)F)c1 ZINC001459395191 1067312319 /nfs/dbraw/zinc/31/23/19/1067312319.db2.gz NRDIFNNIOUYOCU-OAQYLSRUSA-N 1 0 453.936 4.744 20 0 JJADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459398585 1067313066 /nfs/dbraw/zinc/31/30/66/1067313066.db2.gz WSNOJNFUPXCLAN-MDKPJZGXSA-N 1 0 454.442 4.674 20 0 JJADRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001459404866 1067314608 /nfs/dbraw/zinc/31/46/08/1067314608.db2.gz IEAVANGZIBJIIP-UHFFFAOYSA-N 1 0 457.477 4.946 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c(F)ccc(Br)c1F ZINC001459414934 1067318594 /nfs/dbraw/zinc/31/85/94/1067318594.db2.gz LAEPVKDYOXAZFR-IBGZPJMESA-N 1 0 451.355 4.687 20 0 JJADRO Cc1cc(C)c(NC(=O)CCC[N@H+](CCO)Cc2cc(Br)ccc2F)c(C)c1 ZINC001459437581 1067324740 /nfs/dbraw/zinc/32/47/40/1067324740.db2.gz GBCICHXUGAXQLM-UHFFFAOYSA-N 1 0 451.380 4.727 20 0 JJADRO CCOC(=O)C1=C(C[NH2+]C(C)(C)CCc2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459440994 1067325586 /nfs/dbraw/zinc/32/55/86/1067325586.db2.gz UMXZPGHQHWNPKB-JOCHJYFZSA-N 1 0 455.986 4.512 20 0 JJADRO O=C(c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001453742076 1067326120 /nfs/dbraw/zinc/32/61/20/1067326120.db2.gz YQVXYTCEVOIZAM-OAHLLOKOSA-N 1 0 453.341 4.596 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@H+](Cc2ccccc2Cl)C2CCCC2)CC1 ZINC001459451875 1067327030 /nfs/dbraw/zinc/32/70/30/1067327030.db2.gz TUIXBUREWXAPQQ-UHFFFAOYSA-N 1 0 450.023 4.554 20 0 JJADRO COc1cccc(OC)c1OC[C@@H](O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001459451667 1067327136 /nfs/dbraw/zinc/32/71/36/1067327136.db2.gz SDKQVJVHDXWBCC-IBGZPJMESA-N 1 0 453.501 4.907 20 0 JJADRO O=C(CC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1)Nc1ccc(Br)cc1 ZINC001459459116 1067328930 /nfs/dbraw/zinc/32/89/30/1067328930.db2.gz WSCHVRYHXSNZME-OAQYLSRUSA-N 1 0 451.792 4.877 20 0 JJADRO C[C@@H]1C[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001459489209 1067337144 /nfs/dbraw/zinc/33/71/44/1067337144.db2.gz OTEIUNMTSRLEGU-YYDVJCTNSA-N 1 0 457.640 4.674 20 0 JJADRO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1CCC(=O)Nc1cc(F)ccc1C ZINC001459508429 1067341056 /nfs/dbraw/zinc/34/10/56/1067341056.db2.gz BDNUZTDKUIYKTP-PKTZIBPZSA-N 1 0 455.574 4.974 20 0 JJADRO CO[C@H](Cc1ccccc1)C[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC001459522402 1067343869 /nfs/dbraw/zinc/34/38/69/1067343869.db2.gz COLIACQNWFBUSM-HXUWFJFHSA-N 1 0 452.492 4.552 20 0 JJADRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC001459567334 1067354201 /nfs/dbraw/zinc/35/42/01/1067354201.db2.gz VBIIOGMAPHRXKL-RCZSKKKRSA-N 1 0 459.512 4.869 20 0 JJADRO Cc1ccc(CCN(CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)Cc2ccco2)cc1 ZINC001459581915 1067356546 /nfs/dbraw/zinc/35/65/46/1067356546.db2.gz LPASMSXMTSMVPS-UHFFFAOYSA-N 1 0 459.634 4.676 20 0 JJADRO C[N@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCSc2ccc(Br)cc21 ZINC001459580493 1067356713 /nfs/dbraw/zinc/35/67/13/1067356713.db2.gz DMBJAIZLIJIKAV-NVXWUHKLSA-N 1 0 457.434 4.554 20 0 JJADRO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC001459583343 1067356990 /nfs/dbraw/zinc/35/69/90/1067356990.db2.gz QYHSUNZXSYVVQW-HXUWFJFHSA-N 1 0 457.640 4.645 20 0 JJADRO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC001459605695 1067360993 /nfs/dbraw/zinc/36/09/93/1067360993.db2.gz PHWUKLPXIOSAIL-FQEVSTJZSA-N 1 0 453.421 4.594 20 0 JJADRO Cc1cc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611891 1067363458 /nfs/dbraw/zinc/36/34/58/1067363458.db2.gz YTSTVFXNNKGQGR-NHCUHLMSSA-N 1 0 456.587 4.688 20 0 JJADRO Cc1cc(N2CCC[C@@H]([NH+]3CCC(N(C)c4ccccc4)CC3)C2=O)ccc1Br ZINC001459623054 1067366782 /nfs/dbraw/zinc/36/67/82/1067366782.db2.gz DFLZSEYPECKXLT-HSZRJFAPSA-N 1 0 456.428 4.854 20 0 JJADRO COc1ccc(C[C@H]2CC[N@@H+]2[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cc1 ZINC001459660619 1067374330 /nfs/dbraw/zinc/37/43/30/1067374330.db2.gz ZJUPVYDXSFJFLZ-IFMALSPDSA-N 1 0 457.412 4.887 20 0 JJADRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC001459661107 1067374464 /nfs/dbraw/zinc/37/44/64/1067374464.db2.gz AOEUELMWDBXUGC-UHFFFAOYSA-N 1 0 453.384 4.794 20 0 JJADRO C[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459668601 1067378059 /nfs/dbraw/zinc/37/80/59/1067378059.db2.gz LMHNHUNRUGSEMH-GCJKJVERSA-N 1 0 459.575 4.555 20 0 JJADRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC001459668589 1067378105 /nfs/dbraw/zinc/37/81/05/1067378105.db2.gz LJDQSUHUWGIHTC-VWNXMTODSA-N 1 0 450.583 4.531 20 0 JJADRO CC[N@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459674718 1067380137 /nfs/dbraw/zinc/38/01/37/1067380137.db2.gz YWGNWHKNDNTSFF-UHFFFAOYSA-N 1 0 453.660 4.603 20 0 JJADRO CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459674512 1067380262 /nfs/dbraw/zinc/38/02/62/1067380262.db2.gz XFMSUISMGCYWPX-UHFFFAOYSA-N 1 0 456.541 4.728 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001546111101 1067381914 /nfs/dbraw/zinc/38/19/14/1067381914.db2.gz YRYDNGGCKZLABR-QFIPXVFZSA-N 1 0 451.663 4.509 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001459685107 1067382960 /nfs/dbraw/zinc/38/29/60/1067382960.db2.gz KSCGQEXEAFYWRX-MXEMCNAFSA-N 1 0 451.652 4.743 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@]3(C)CC[N@H+](Cc4ccccc4)C3)CCCC[C@H]12 ZINC001459708555 1067390292 /nfs/dbraw/zinc/39/02/92/1067390292.db2.gz QSHPUZUBVVBDNC-WDDWZANVSA-N 1 0 455.643 4.585 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001459710096 1067391064 /nfs/dbraw/zinc/39/10/64/1067391064.db2.gz XYJNJZCWYGUURN-QHWMMSMNSA-N 1 0 457.659 4.879 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@H](C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714240 1067392812 /nfs/dbraw/zinc/39/28/12/1067392812.db2.gz ADDMAIKLBZJECC-CTNGQTDRSA-N 1 0 455.599 4.664 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@@H](C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714256 1067392879 /nfs/dbraw/zinc/39/28/79/1067392879.db2.gz ADDMAIKLBZJECC-FPOVZHCZSA-N 1 0 455.599 4.664 20 0 JJADRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001459717288 1067394318 /nfs/dbraw/zinc/39/43/18/1067394318.db2.gz OBYINZYDCAVRHW-AGILITTLSA-N 1 0 458.643 4.938 20 0 JJADRO COc1ccc([C@H]([NH2+]C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c2ccc(F)cc2)cc1 ZINC001459723919 1067396356 /nfs/dbraw/zinc/39/63/56/1067396356.db2.gz WTEYAAIPWHPRNP-DHIUTWEWSA-N 1 0 456.558 4.682 20 0 JJADRO O=C(NC[C@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1)Nc1cccc(F)c1 ZINC001459730085 1067398317 /nfs/dbraw/zinc/39/83/17/1067398317.db2.gz KAYZLGXMJHBGCU-MRXNPFEDSA-N 1 0 457.937 4.605 20 0 JJADRO COCc1cccc(OCC2(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)CCC2)c1 ZINC001459740304 1067400964 /nfs/dbraw/zinc/40/09/64/1067400964.db2.gz GVKZFBFSNRGJPF-FQEVSTJZSA-N 1 0 458.002 4.781 20 0 JJADRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001459755108 1067407919 /nfs/dbraw/zinc/40/79/19/1067407919.db2.gz PZSVGONOCSJKIT-UHFFFAOYSA-N 1 0 453.384 4.794 20 0 JJADRO C[C@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4cccc(OC(F)(F)F)c4)nc(N)c23)C1 ZINC001459755201 1067408530 /nfs/dbraw/zinc/40/85/30/1067408530.db2.gz JGPCXKRDRGVFKI-ZDUSSCGKSA-N 1 0 450.530 4.971 20 0 JJADRO C[N@@H+]1CCN(CC(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)C(C)(C)C1 ZINC001459761382 1067411874 /nfs/dbraw/zinc/41/18/74/1067411874.db2.gz BOOPQOTTXNWHNB-UHFFFAOYSA-N 1 0 459.638 4.801 20 0 JJADRO O=C(C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001459765925 1067413475 /nfs/dbraw/zinc/41/34/75/1067413475.db2.gz WWLSKALRDMVEMA-JOCHJYFZSA-N 1 0 450.476 4.624 20 0 JJADRO COc1ccc(NC(=O)CC[NH+]2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001459775514 1067416655 /nfs/dbraw/zinc/41/66/55/1067416655.db2.gz UOYDUYJVXKHNFV-UHFFFAOYSA-N 1 0 454.011 4.646 20 0 JJADRO CSc1ccccc1NC(=O)CC[N@@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC001459774177 1067416672 /nfs/dbraw/zinc/41/66/72/1067416672.db2.gz IZXYZRCLARIUJN-UHFFFAOYSA-N 1 0 455.672 4.984 20 0 JJADRO C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782401 1067419548 /nfs/dbraw/zinc/41/95/48/1067419548.db2.gz YPXVFKQFVHRFTF-LQWHRVPQSA-N 1 0 450.023 4.629 20 0 JJADRO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788378 1067422751 /nfs/dbraw/zinc/42/27/51/1067422751.db2.gz BODVOTWSWPFRQT-WZONZLPQSA-N 1 0 454.018 4.868 20 0 JJADRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001459792851 1067425667 /nfs/dbraw/zinc/42/56/67/1067425667.db2.gz WDKWFECZMOBFBV-UNIVCBNLSA-N 1 0 454.634 4.671 20 0 JJADRO CC[C@H]([NH2+]Cc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC)c1ccc(F)cc1 ZINC001459799045 1067428606 /nfs/dbraw/zinc/42/86/06/1067428606.db2.gz QAAOPZXZGVYCPO-NRFANRHFSA-N 1 0 458.603 4.611 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@H]21 ZINC001459805611 1067431206 /nfs/dbraw/zinc/43/12/06/1067431206.db2.gz OADSDJOCUTYCFX-ZTFGCOKTSA-N 1 0 455.571 4.565 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@H]21 ZINC001459805606 1067431262 /nfs/dbraw/zinc/43/12/62/1067431262.db2.gz OADSDJOCUTYCFX-BMGDILEWSA-N 1 0 455.571 4.565 20 0 JJADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1 ZINC001459817255 1067436463 /nfs/dbraw/zinc/43/64/63/1067436463.db2.gz LFDMWGRWBSPMJR-OAQYLSRUSA-N 1 0 456.530 4.815 20 0 JJADRO COc1ccc(-c2nc(NC(=O)C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)sc2C)cc1 ZINC001459818443 1067437214 /nfs/dbraw/zinc/43/72/14/1067437214.db2.gz RTJGWFYMHSAPCO-GCJKJVERSA-N 1 0 451.592 4.823 20 0 JJADRO COc1ccc(-c2nc(NC(=O)C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)sc2C)cc1 ZINC001459818445 1067437721 /nfs/dbraw/zinc/43/77/21/1067437721.db2.gz RTJGWFYMHSAPCO-PGRDOPGGSA-N 1 0 451.592 4.823 20 0 JJADRO CC(C)[C@@H]([NH2+]C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)c1cccc(C(F)(F)F)c1 ZINC001459827605 1067441631 /nfs/dbraw/zinc/44/16/31/1067441631.db2.gz PCTJXOXTOKLLDR-ZWKOTPCHSA-N 1 0 456.505 4.545 20 0 JJADRO CC(C)(C)C[C@H]([NH2+]CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccc(F)cc1 ZINC001459832414 1067444248 /nfs/dbraw/zinc/44/42/48/1067444248.db2.gz URCQGWSQUHMDFC-NRFANRHFSA-N 1 0 454.525 4.524 20 0 JJADRO COc1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H]2CCCC[C@H]2C)cc1OC ZINC001459832144 1067444413 /nfs/dbraw/zinc/44/44/13/1067444413.db2.gz FAAFBHWHRUAIPZ-UTKZUKDTSA-N 1 0 455.986 4.946 20 0 JJADRO COc1ccc([C@H](CCO)[NH2+]C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC001459837642 1067446789 /nfs/dbraw/zinc/44/67/89/1067446789.db2.gz FSQYPVMIJMTUQO-ZEQRLZLVSA-N 1 0 456.380 4.871 20 0 JJADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCCO2 ZINC001459837891 1067446929 /nfs/dbraw/zinc/44/69/29/1067446929.db2.gz WNZCCNIOEGBOEZ-SCLBCKFNSA-N 1 0 459.518 4.927 20 0 JJADRO COc1cc([C@@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2C(F)(F)F)ccc1OCC(C)C ZINC001459840521 1067448063 /nfs/dbraw/zinc/44/80/63/1067448063.db2.gz IZYLMLNLZBSQNR-OAHLLOKOSA-N 1 0 456.480 4.855 20 0 JJADRO C[C@@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)c1cc2c(cc1Br)OCCO2 ZINC001459844297 1067450625 /nfs/dbraw/zinc/45/06/25/1067450625.db2.gz OOCYZLMUOSGXKT-OAHLLOKOSA-N 1 0 457.409 4.956 20 0 JJADRO CC(C)(C)C[C@H]([NH2+]C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)c1ccc(Cl)cc1 ZINC001459845626 1067451497 /nfs/dbraw/zinc/45/14/97/1067451497.db2.gz SQTDEUVQFOCMLM-OALUTQOASA-N 1 0 451.007 4.960 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001546112241 1067452554 /nfs/dbraw/zinc/45/25/54/1067452554.db2.gz JUDCBTGAUARRBW-NRFANRHFSA-N 1 0 455.647 4.614 20 0 JJADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC001459848854 1067454126 /nfs/dbraw/zinc/45/41/26/1067454126.db2.gz ULNPKHFBFXPNTA-OAHLLOKOSA-N 1 0 452.336 4.676 20 0 JJADRO CC1(C)NC(=O)N(CCC[NH2+][C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)C1=O ZINC001459849692 1067454563 /nfs/dbraw/zinc/45/45/63/1067454563.db2.gz LJQGQPOEVCBNHE-LJQANCHMSA-N 1 0 452.357 4.726 20 0 JJADRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)cc1OC ZINC001459849281 1067454569 /nfs/dbraw/zinc/45/45/69/1067454569.db2.gz BNGBMBVLNRZSMU-REIDKSKDSA-N 1 0 456.583 4.992 20 0 JJADRO O=C1[C@H]([NH2+][C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CCN1C1CCOCC1 ZINC001459850097 1067455193 /nfs/dbraw/zinc/45/51/93/1067455193.db2.gz NELFJFGBUJAGSZ-YADHBBJMSA-N 1 0 451.369 4.786 20 0 JJADRO C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850125 1067455201 /nfs/dbraw/zinc/45/52/01/1067455201.db2.gz ZTPNSZYRONBTRT-IIBYNOLFSA-N 1 0 451.945 4.545 20 0 JJADRO C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850127 1067455501 /nfs/dbraw/zinc/45/55/01/1067455501.db2.gz ZTPNSZYRONBTRT-KKSFZXQISA-N 1 0 451.945 4.545 20 0 JJADRO CC[C@H](C)[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459850854 1067456172 /nfs/dbraw/zinc/45/61/72/1067456172.db2.gz OLJDDRKVUWPTGM-DFBJGRDBSA-N 1 0 456.030 4.764 20 0 JJADRO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Br)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC001459851643 1067456760 /nfs/dbraw/zinc/45/67/60/1067456760.db2.gz RIYHANXNCZQEBO-RNFRBKRXSA-N 1 0 455.196 4.962 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459865756 1067463577 /nfs/dbraw/zinc/46/35/77/1067463577.db2.gz YROVUKJTIHHNLX-LSDHHAIUSA-N 1 0 450.377 4.839 20 0 JJADRO CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1C ZINC001459867543 1067464629 /nfs/dbraw/zinc/46/46/29/1067464629.db2.gz JPPIPJZOVKEXLP-JOCHJYFZSA-N 1 0 452.526 4.712 20 0 JJADRO C[C@H]([NH2+]CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC001459868962 1067465866 /nfs/dbraw/zinc/46/58/66/1067465866.db2.gz RTCBTXGBFPYZGN-WTYVLRPYSA-N 1 0 459.565 4.851 20 0 JJADRO C[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870448 1067466896 /nfs/dbraw/zinc/46/68/96/1067466896.db2.gz NMFVYFZNKJULBX-VXKWHMMOSA-N 1 0 452.542 4.914 20 0 JJADRO CCOc1ccc(-c2nc(CN[C@H](C)c3cc(F)ccc3N3CC[NH+](CC)CC3)co2)cc1 ZINC001459873293 1067468403 /nfs/dbraw/zinc/46/84/03/1067468403.db2.gz CCHIRXRQWUSXCV-LJQANCHMSA-N 1 0 452.574 4.872 20 0 JJADRO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1 ZINC001459887859 1067473622 /nfs/dbraw/zinc/47/36/22/1067473622.db2.gz CPHVRBZYMUBOTH-FQEVSTJZSA-N 1 0 457.640 4.546 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC001459893410 1067476579 /nfs/dbraw/zinc/47/65/79/1067476579.db2.gz FZCPLGSJJNDLTB-NHCUHLMSSA-N 1 0 457.565 4.534 20 0 JJADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N3CCC[C@H]3c3ccc(OC)cc3OC)c(C)c2c1 ZINC001459904833 1067481828 /nfs/dbraw/zinc/48/18/28/1067481828.db2.gz OKAVEDKUFGIUCE-JTSKRJEESA-N 1 0 452.551 4.781 20 0 JJADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)c(C)c2c1 ZINC001459904831 1067481847 /nfs/dbraw/zinc/48/18/47/1067481847.db2.gz OKAVEDKUFGIUCE-HTAPYJJXSA-N 1 0 452.551 4.781 20 0 JJADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC001459906075 1067483004 /nfs/dbraw/zinc/48/30/04/1067483004.db2.gz NECUAUCWYHCHHG-ZDUSSCGKSA-N 1 0 455.381 4.740 20 0 JJADRO Cc1ccc([C@@H](CC(F)(F)F)[NH2+]C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001459908037 1067484102 /nfs/dbraw/zinc/48/41/02/1067484102.db2.gz RZWMOGAYFJRIDN-FYYLOGMGSA-N 1 0 450.501 4.742 20 0 JJADRO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001459910017 1067485124 /nfs/dbraw/zinc/48/51/24/1067485124.db2.gz UCPPYOMDCJUSTD-VKIDHGPPSA-N 1 0 451.611 4.738 20 0 JJADRO OCCN(CCC[NH+]1CCC(Cc2ccccc2)CC1)Cc1cc(Br)cs1 ZINC001459929380 1067495982 /nfs/dbraw/zinc/49/59/82/1067495982.db2.gz GVNPZASYFFAYTD-UHFFFAOYSA-N 1 0 451.474 4.650 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)C2(c3ccccc3Br)CC2)c1 ZINC001459931459 1067496465 /nfs/dbraw/zinc/49/64/65/1067496465.db2.gz AXCHCISSDVSPSU-UHFFFAOYSA-N 1 0 459.384 4.618 20 0 JJADRO OC[C@@H]([NH2+]C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 ZINC001459933071 1067497348 /nfs/dbraw/zinc/49/73/48/1067497348.db2.gz QRXJYFPSYVXPHO-XZOQPEGZSA-N 1 0 452.422 4.991 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@H](CN[C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459935386 1067498019 /nfs/dbraw/zinc/49/80/19/1067498019.db2.gz UYKJRROYSQYHQF-ZCYQVOJMSA-N 1 0 453.424 4.988 20 0 JJADRO COCC[N@H+](CCCOc1c(Br)cccc1Br)Cc1cccnc1 ZINC001459949409 1067503949 /nfs/dbraw/zinc/50/39/49/1067503949.db2.gz DLUSXIKUABWZRZ-UHFFFAOYSA-N 1 0 458.194 4.524 20 0 JJADRO CC(C)N1C(=O)C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459954309 1067505878 /nfs/dbraw/zinc/50/58/78/1067505878.db2.gz YVVSOHHNZQNRKI-LPLGYCIKSA-N 1 0 452.357 4.800 20 0 JJADRO CC(C)N1C(=O)C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459954307 1067505999 /nfs/dbraw/zinc/50/59/99/1067505999.db2.gz YVVSOHHNZQNRKI-JBZDTAIVSA-N 1 0 452.357 4.800 20 0 JJADRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC001459965358 1067510048 /nfs/dbraw/zinc/51/00/48/1067510048.db2.gz HXDNNGPDLSZCJI-YEEURNOCSA-N 1 0 451.611 4.783 20 0 JJADRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC001459971285 1067510828 /nfs/dbraw/zinc/51/08/28/1067510828.db2.gz QNEPDDUMPXAHFP-OALUTQOASA-N 1 0 458.628 4.520 20 0 JJADRO COc1ccc2c(c1)C[C@H](C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1)O2 ZINC001459978975 1067513834 /nfs/dbraw/zinc/51/38/34/1067513834.db2.gz CPSYWIXCDOHHTO-DNQXCXABSA-N 1 0 455.501 4.836 20 0 JJADRO O=C(C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001459981769 1067515314 /nfs/dbraw/zinc/51/53/14/1067515314.db2.gz BHZCTSHDDVCGSW-NNMXDRDESA-N 1 0 459.512 4.684 20 0 JJADRO CC[C@@]1(CO)CCC[N@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459992126 1067518530 /nfs/dbraw/zinc/51/85/30/1067518530.db2.gz FWPTYEPFMQGGMC-ISKFKSNPSA-N 1 0 452.422 4.945 20 0 JJADRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459998009 1067520349 /nfs/dbraw/zinc/52/03/49/1067520349.db2.gz WWHAKOZSYHCQSV-IIAWOOMASA-N 1 0 452.617 4.541 20 0 JJADRO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(C)(C)C)cc1 ZINC001460002858 1067522373 /nfs/dbraw/zinc/52/23/73/1067522373.db2.gz FAXCMDQYTMOQHM-WZONZLPQSA-N 1 0 459.656 4.548 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](C[NH+]3CCC(Cc4ccc(F)c(F)c4)CC3)C2)C1 ZINC001460002270 1067522402 /nfs/dbraw/zinc/52/24/02/1067522402.db2.gz NDVAEALYKIPFNM-NLFFAJNJSA-N 1 0 450.570 4.635 20 0 JJADRO Cc1ccc(CN(Cc2ccco2)C[C@H](O)C[N@@H+](C)Cc2ccccc2)c(Br)c1 ZINC001460005306 1067523584 /nfs/dbraw/zinc/52/35/84/1067523584.db2.gz CYGSBINTGAZGRA-JOCHJYFZSA-N 1 0 457.412 4.846 20 0 JJADRO CC(C)[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(C(C)(C)C)cc1 ZINC001460008059 1067525165 /nfs/dbraw/zinc/52/51/65/1067525165.db2.gz SLGXVEDYOUBOBY-AREMUKBSSA-N 1 0 455.687 4.912 20 0 JJADRO COc1cc(-c2nc(CN3CC[C@@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)cs2)ccc1O ZINC001460011465 1067526445 /nfs/dbraw/zinc/52/64/45/1067526445.db2.gz LBOYKCREAVSVAL-XMMPIXPASA-N 1 0 459.612 4.747 20 0 JJADRO C[C@@H]1CCc2c(sc3nc(C[NH2+][C@@H]4CCN(C(=O)OC(C)(C)C)CC4(C)C)nc(N)c32)C1 ZINC001460024528 1067532128 /nfs/dbraw/zinc/53/21/28/1067532128.db2.gz XAMLXLBOBVSQLO-RHSMWYFYSA-N 1 0 459.660 4.524 20 0 JJADRO O=C(CC[NH2+][C@H](CO)c1ccccc1OC(F)(F)F)NC(c1ccccc1)c1ccccc1 ZINC001460053021 1067539770 /nfs/dbraw/zinc/53/97/70/1067539770.db2.gz FWYLYEKJPYGENI-OAQYLSRUSA-N 1 0 458.480 4.504 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC001460058726 1067541481 /nfs/dbraw/zinc/54/14/81/1067541481.db2.gz BRBLFXOMVYVLIU-QFIPXVFZSA-N 1 0 458.562 4.551 20 0 JJADRO C[C@H](NC(=O)C[NH2+][C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]1C)c1ccc(Cl)cc1Cl ZINC001460062315 1067542942 /nfs/dbraw/zinc/54/29/42/1067542942.db2.gz OYYVDVVALIOLIP-UJKGCTCZSA-N 1 0 458.430 4.794 20 0 JJADRO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460066493 1067544098 /nfs/dbraw/zinc/54/40/98/1067544098.db2.gz HZJHNXOVYQQYMD-DEOSSOPVSA-N 1 0 451.611 4.615 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001460067514 1067544655 /nfs/dbraw/zinc/54/46/55/1067544655.db2.gz DVLICJSLAIXHPE-SFHVURJKSA-N 1 0 454.409 4.547 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001460067282 1067544761 /nfs/dbraw/zinc/54/47/61/1067544761.db2.gz DJAHFDKKTCCROK-JMTTVTNBSA-N 1 0 450.623 4.751 20 0 JJADRO FC(F)(F)c1ccc(C[C@@]2([NH2+]CCc3nc(-c4cccc(Cl)c4)no3)CCOC2)cc1 ZINC001460068677 1067545107 /nfs/dbraw/zinc/54/51/07/1067545107.db2.gz KICDMGWLHRASFP-NRFANRHFSA-N 1 0 451.876 4.943 20 0 JJADRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001460081659 1067549017 /nfs/dbraw/zinc/54/90/17/1067549017.db2.gz PUTLVFPZONEHSD-IBGZPJMESA-N 1 0 458.427 4.857 20 0 JJADRO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001460083767 1067549460 /nfs/dbraw/zinc/54/94/60/1067549460.db2.gz VZELAMQVENHJTA-JOCHJYFZSA-N 1 0 452.986 4.536 20 0 JJADRO COc1ccccc1[C@H]1CC[C@H](C)CN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086733 1067550022 /nfs/dbraw/zinc/55/00/22/1067550022.db2.gz WJLQKRZINMLIOJ-GBXCKJPGSA-N 1 0 453.652 4.656 20 0 JJADRO COc1ccccc1[C@@H]1CC[C@H](C)CN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086737 1067550191 /nfs/dbraw/zinc/55/01/91/1067550191.db2.gz WJLQKRZINMLIOJ-RDPSFJRHSA-N 1 0 453.652 4.656 20 0 JJADRO CCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@@H](C)[C@H](Cc3ccccc3)C(=O)OC)ccc21 ZINC001460093394 1067552604 /nfs/dbraw/zinc/55/26/04/1067552604.db2.gz KLJZXSDMTLSDQR-CVDCTZTESA-N 1 0 457.574 4.763 20 0 JJADRO CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC001460094327 1067553145 /nfs/dbraw/zinc/55/31/45/1067553145.db2.gz QMHIIOOPIPGDPX-HRAATJIYSA-N 1 0 452.437 4.656 20 0 JJADRO COc1ccc(/C(C)=C/C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001460095734 1067553531 /nfs/dbraw/zinc/55/35/31/1067553531.db2.gz XQMIWSQPXOYQEB-MAUBAPBLSA-N 1 0 458.400 4.640 20 0 JJADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(F)c2cccnc12 ZINC001460097498 1067554294 /nfs/dbraw/zinc/55/42/94/1067554294.db2.gz VQQFMZJKDPGSSD-AWEZNQCLSA-N 1 0 457.347 4.529 20 0 JJADRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC001460097443 1067554554 /nfs/dbraw/zinc/55/45/54/1067554554.db2.gz VKIWODPGJPLRHJ-ORYQWCPZSA-N 1 0 456.428 4.894 20 0 JJADRO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 ZINC001460098629 1067554895 /nfs/dbraw/zinc/55/48/95/1067554895.db2.gz JHQUTUIHLANSRZ-HSZRJFAPSA-N 1 0 457.500 4.668 20 0 JJADRO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccc(Cl)cc1 ZINC001460113638 1067558072 /nfs/dbraw/zinc/55/80/72/1067558072.db2.gz VJNCQFUCXFVLPB-LEWJYISDSA-N 1 0 454.920 4.807 20 0 JJADRO C[C@H]1CN(C(=O)c2cc(Br)ccc2OC(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001460115905 1067558379 /nfs/dbraw/zinc/55/83/79/1067558379.db2.gz AYRXIZZTZAOSPQ-OAHLLOKOSA-N 1 0 453.327 4.645 20 0 JJADRO O=C(C[NH+]1CCC(c2ccnc3ccccc32)CC1)NCCOc1cccc(C(F)(F)F)c1 ZINC001460125410 1067560064 /nfs/dbraw/zinc/56/00/64/1067560064.db2.gz BABRQINWTQZCHN-UHFFFAOYSA-N 1 0 457.496 4.628 20 0 JJADRO C[C@H](NC(=O)C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001460130103 1067560839 /nfs/dbraw/zinc/56/08/39/1067560839.db2.gz ZVGBXNZPUIEQMC-DQLDELGASA-N 1 0 450.501 4.736 20 0 JJADRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)N(Cc1ccccc1)c1nc2c(ccc(C)c2C)s1 ZINC001460136380 1067562368 /nfs/dbraw/zinc/56/23/68/1067562368.db2.gz AMOUZXWZTFHEQJ-QFIPXVFZSA-N 1 0 450.652 4.862 20 0 JJADRO O=C1[C@@H]([N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137617 1067562887 /nfs/dbraw/zinc/56/28/87/1067562887.db2.gz HISSHWMGDKCUMY-QRWLVFNGSA-N 1 0 451.767 4.912 20 0 JJADRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001460140076 1067563097 /nfs/dbraw/zinc/56/30/97/1067563097.db2.gz ZFXKKOHTRVGURN-GOSISDBHSA-N 1 0 459.993 4.788 20 0 JJADRO O[C@@H](COc1ccccc1C(F)(F)F)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460139432 1067563110 /nfs/dbraw/zinc/56/31/10/1067563110.db2.gz HZWCGJMSSXTOOT-CYBMUJFWSA-N 1 0 454.436 4.800 20 0 JJADRO C[C@](CO)([NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 ZINC001460139252 1067563235 /nfs/dbraw/zinc/56/32/35/1067563235.db2.gz FERCAAJIJHXWGM-HSZRJFAPSA-N 1 0 451.394 4.839 20 0 JJADRO Fc1cccc(CC2([NH2+]Cc3cc(Cl)ccc3I)CCOCC2)c1 ZINC001460144867 1067564168 /nfs/dbraw/zinc/56/41/68/1067564168.db2.gz HHKMMIXGZJBCOD-UHFFFAOYSA-N 1 0 459.730 4.965 20 0 JJADRO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460155831 1067566509 /nfs/dbraw/zinc/56/65/09/1067566509.db2.gz BRMILBCSABPLIP-PWRODBHTSA-N 1 0 459.631 4.771 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155687 1067566533 /nfs/dbraw/zinc/56/65/33/1067566533.db2.gz AWHHSHIFNXPCNC-IAGOWNOFSA-N 1 0 453.986 4.777 20 0 JJADRO Cc1ccccc1C[N@@H+](Cc1ccccn1)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158468 1067567287 /nfs/dbraw/zinc/56/72/87/1067567287.db2.gz PNCLIJVCEDLHJM-SQHAQQRYSA-N 1 0 451.611 4.808 20 0 JJADRO CCc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3C(=O)NCc3ccc(C)cc3)C2)cc1 ZINC001460165450 1067568314 /nfs/dbraw/zinc/56/83/14/1067568314.db2.gz KPOFOABNZBHBSQ-VWLOTQADSA-N 1 0 455.602 4.915 20 0 JJADRO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)CCc1cccc(Br)c1 ZINC001460168427 1067568721 /nfs/dbraw/zinc/56/87/21/1067568721.db2.gz DIKGXIPNIUDPCA-INIZCTEOSA-N 1 0 453.808 4.503 20 0 JJADRO COC(=O)c1cc2cc(C[N@H+](CCc3ccc(Cl)cc3)C[C@H](O)C(F)(F)F)ccc2o1 ZINC001460174424 1067570525 /nfs/dbraw/zinc/57/05/25/1067570525.db2.gz IYVAPGDADNKGGM-FQEVSTJZSA-N 1 0 455.860 4.841 20 0 JJADRO C[C@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC001460180421 1067572224 /nfs/dbraw/zinc/57/22/24/1067572224.db2.gz SQXBKUPMOHEODU-FQEVSTJZSA-N 1 0 451.586 4.621 20 0 JJADRO CCCN(CC[NH+]1CCCCCC1)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC001460181556 1067573037 /nfs/dbraw/zinc/57/30/37/1067573037.db2.gz SMPGGMDOKLFONW-VWLOTQADSA-N 1 0 450.627 4.854 20 0 JJADRO O[C@@H](c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001460182530 1067573135 /nfs/dbraw/zinc/57/31/35/1067573135.db2.gz AKEUWEQQYOEQLJ-AHRSYUTCSA-N 1 0 458.318 4.947 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001460196544 1067576347 /nfs/dbraw/zinc/57/63/47/1067576347.db2.gz ISTAHTVWWJAUNH-LEWJYISDSA-N 1 0 456.986 4.642 20 0 JJADRO CC(C)[C@H](CNC(=O)C[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001460196273 1067576415 /nfs/dbraw/zinc/57/64/15/1067576415.db2.gz KGBLTTQSLJVIOF-ZEQRLZLVSA-N 1 0 457.659 4.511 20 0 JJADRO CC(C)[C@@H](CNC(=O)C[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001460196238 1067576547 /nfs/dbraw/zinc/57/65/47/1067576547.db2.gz KGBLTTQSLJVIOF-BJKOFHAPSA-N 1 0 457.659 4.511 20 0 JJADRO COc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)ccc1SC ZINC001460198951 1067577169 /nfs/dbraw/zinc/57/71/69/1067577169.db2.gz RRBUKXRDZBTENG-KNQAVFIVSA-N 1 0 450.645 4.701 20 0 JJADRO COc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)ccc1SC ZINC001460198952 1067577277 /nfs/dbraw/zinc/57/72/77/1067577277.db2.gz RRBUKXRDZBTENG-SIKLNZKXSA-N 1 0 450.645 4.701 20 0 JJADRO CSc1ccc(OCC[NH+]2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001460200028 1067577820 /nfs/dbraw/zinc/57/78/20/1067577820.db2.gz WKHLKVWUKGHKTF-YADHBBJMSA-N 1 0 450.645 4.572 20 0 JJADRO CSc1ccc(OCC[NH+]2CCC([C@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001460200022 1067577925 /nfs/dbraw/zinc/57/79/25/1067577925.db2.gz WKHLKVWUKGHKTF-FGZHOGPDSA-N 1 0 450.645 4.572 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCC(OC3CCCCC3)CC2)c2ccccc2)cc1 ZINC001460205562 1067578608 /nfs/dbraw/zinc/57/86/08/1067578608.db2.gz ZYNFJABPFADKEE-SANMLTNESA-N 1 0 456.652 4.828 20 0 JJADRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460210098 1067579936 /nfs/dbraw/zinc/57/99/36/1067579936.db2.gz DOCZNIOZMMPFDH-PGMDNKBISA-N 1 0 459.565 4.613 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@H](C)Oc3ccc(C(C)C)c(C)c3)CC2)cc1 ZINC001460210273 1067580014 /nfs/dbraw/zinc/58/00/14/1067580014.db2.gz AGOIOSKEPMLDRH-FQEVSTJZSA-N 1 0 451.611 4.625 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2CCC(=O)N2CCCc3ccccc32)C1 ZINC001460215908 1067581527 /nfs/dbraw/zinc/58/15/27/1067581527.db2.gz RRBBFYSWWNKIAT-PKTZIBPZSA-N 1 0 455.643 4.858 20 0 JJADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460221636 1067583082 /nfs/dbraw/zinc/58/30/82/1067583082.db2.gz LSGCOCXKLRVHQH-RMTZWNOUSA-N 1 0 469.000 4.785 20 0 JJADRO COC(=O)[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1Cl ZINC001460220736 1067583214 /nfs/dbraw/zinc/58/32/14/1067583214.db2.gz AEMABEDAORDGFH-CAOCKLPOSA-N 1 0 452.957 4.951 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1c1cccc(F)c1 ZINC001460233694 1067586217 /nfs/dbraw/zinc/58/62/17/1067586217.db2.gz MKKHDDYKTVYPQL-GHTZIAJQSA-N 1 0 461.965 4.800 20 0 JJADRO C[N@H+](C[C@H](O)c1cccc(Br)c1)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001460237365 1067587408 /nfs/dbraw/zinc/58/74/08/1067587408.db2.gz ALXXHTYYLRGTNJ-ZWOKBUDYSA-N 1 0 455.437 4.745 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1F ZINC001460237726 1067587763 /nfs/dbraw/zinc/58/77/63/1067587763.db2.gz BRWSYPYXOUCGMX-CEWLAPEOSA-N 1 0 468.491 4.871 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)C1 ZINC001460238949 1067588290 /nfs/dbraw/zinc/58/82/90/1067588290.db2.gz JNSLCIYSSVKORY-NFBKMPQASA-N 1 0 459.562 4.765 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C1 ZINC001460238914 1067588333 /nfs/dbraw/zinc/58/83/33/1067588333.db2.gz JHOYJSMHRYIUBV-IFMALSPDSA-N 1 0 453.023 4.893 20 0 JJADRO C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460240530 1067589044 /nfs/dbraw/zinc/58/90/44/1067589044.db2.gz LTMXLYJYNHGKRD-IAGOWNOFSA-N 1 0 456.562 4.622 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCS1 ZINC001546115096 1067592577 /nfs/dbraw/zinc/59/25/77/1067592577.db2.gz RQWQALNYAWATKB-OAQYLSRUSA-N 1 0 487.714 4.567 20 0 JJADRO C[C@@H]1C[C@@H](C)[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269623 1067594245 /nfs/dbraw/zinc/59/42/45/1067594245.db2.gz GJBMPBXBYPYULM-LMMKCTJWSA-N 1 0 453.023 4.915 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC001460273028 1067594864 /nfs/dbraw/zinc/59/48/64/1067594864.db2.gz AFQREFRYMWLCSF-SCTDSRPQSA-N 1 0 473.194 4.678 20 0 JJADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001460274293 1067595709 /nfs/dbraw/zinc/59/57/09/1067595709.db2.gz XCNRRTJEVQRXPP-XODKDNOYSA-N 1 0 457.615 4.823 20 0 JJADRO C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279179 1067596699 /nfs/dbraw/zinc/59/66/99/1067596699.db2.gz YCQSPBDXJZFBDT-VQIMIIECSA-N 1 0 453.421 4.594 20 0 JJADRO COc1cc(OC)c(NC(=O)CC[N@@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)cc1Cl ZINC001460280832 1067597511 /nfs/dbraw/zinc/59/75/11/1067597511.db2.gz XTNNFLJRNNRKFB-INIZCTEOSA-N 1 0 454.995 4.662 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[N@@H+]3CCC[C@@H](O)[C@@H]3CCc3ccccc3)cccc2C1 ZINC001460295328 1067600907 /nfs/dbraw/zinc/60/09/07/1067600907.db2.gz KNFXNIHHKJOEBJ-IZZNHLLZSA-N 1 0 450.623 4.938 20 0 JJADRO Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460306200 1067603862 /nfs/dbraw/zinc/60/38/62/1067603862.db2.gz UBWSDMGERKABAO-UHFFFAOYSA-N 1 0 452.599 4.620 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](CCOc2ccccc2C(=O)OC(C)(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC001460314443 1067605510 /nfs/dbraw/zinc/60/55/10/1067605510.db2.gz SXJLTOIXDMZOQQ-LEWJYISDSA-N 1 0 459.970 4.563 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2C[C@H](O)c2cccc3ccccc32)C1 ZINC001460318644 1067606780 /nfs/dbraw/zinc/60/67/80/1067606780.db2.gz SHJVHSKHKIABPR-AKAGGGOCSA-N 1 0 454.611 4.800 20 0 JJADRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460338334 1067611469 /nfs/dbraw/zinc/61/14/69/1067611469.db2.gz MGJAYJKLFPHYRH-FOIQADDNSA-N 1 0 451.430 4.926 20 0 JJADRO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460343305 1067612903 /nfs/dbraw/zinc/61/29/03/1067612903.db2.gz ZGMSFZKEMJREQR-CVDCTZTESA-N 1 0 458.647 4.549 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360606 1067617949 /nfs/dbraw/zinc/61/79/49/1067617949.db2.gz CWMKWJSCJYESRH-WAOWUJCRSA-N 1 0 459.562 4.765 20 0 JJADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F ZINC001460388386 1067624261 /nfs/dbraw/zinc/62/42/61/1067624261.db2.gz HEUVFCBCFFWYBO-YIFZBPKDSA-N 1 0 477.527 4.814 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC001460392138 1067624950 /nfs/dbraw/zinc/62/49/50/1067624950.db2.gz RHBGUBZYVOBIAB-JWQCQUIFSA-N 1 0 481.612 4.700 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1 ZINC001460391807 1067624991 /nfs/dbraw/zinc/62/49/91/1067624991.db2.gz REIDTTDLWDXHTM-AJSBUHFISA-N 1 0 476.564 4.780 20 0 JJADRO CC(C)(C)OC(=O)C1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSCC1 ZINC001460398430 1067626868 /nfs/dbraw/zinc/62/68/68/1067626868.db2.gz MWNVWVLSXAOPDZ-FRIKZZABSA-N 1 0 458.668 4.543 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC001460401321 1067627292 /nfs/dbraw/zinc/62/72/92/1067627292.db2.gz BSOKHWOVBVTMJJ-NQHRYMMQSA-N 1 0 463.622 4.532 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]CC(=O)NCCC2CCCCC2)C1 ZINC001460408674 1067629124 /nfs/dbraw/zinc/62/91/24/1067629124.db2.gz LYCRCWSZRYYNMC-DHIUTWEWSA-N 1 0 461.622 4.595 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccnc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCS1 ZINC001546116083 1067629862 /nfs/dbraw/zinc/62/98/62/1067629862.db2.gz GUFSAZYGYCUAKR-NHCUHLMSSA-N 1 0 456.704 4.820 20 0 JJADRO CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC001460413825 1067630753 /nfs/dbraw/zinc/63/07/53/1067630753.db2.gz XUEUCYGIYROPEX-URXFXBBRSA-N 1 0 459.512 4.780 20 0 JJADRO CC(C)[C@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001460428466 1067633207 /nfs/dbraw/zinc/63/32/07/1067633207.db2.gz GXSWQJKCNABOQR-DHIUTWEWSA-N 1 0 456.428 4.545 20 0 JJADRO CC[N@H+](C/C=C/c1ccc(Cl)cc1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460441946 1067635799 /nfs/dbraw/zinc/63/57/99/1067635799.db2.gz DHCUEQCGGQQNRX-IHHMQQGQSA-N 1 0 450.023 4.533 20 0 JJADRO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC001460458070 1067638138 /nfs/dbraw/zinc/63/81/38/1067638138.db2.gz MQKHPZYKEYFKLE-VWLOTQADSA-N 1 0 458.624 4.760 20 0 JJADRO C[C@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(Cl)cc1Cl ZINC001460478688 1067641785 /nfs/dbraw/zinc/64/17/85/1067641785.db2.gz BJVBGRDQYOVQGG-KSSFIOAISA-N 1 0 456.414 4.692 20 0 JJADRO CC(C)C[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cccc(C(F)(F)F)c1 ZINC001460510831 1067646577 /nfs/dbraw/zinc/64/65/77/1067646577.db2.gz BWINFCHQQXLVQB-UHFFFAOYSA-N 1 0 451.508 4.651 20 0 JJADRO Cc1cc(NC(=O)CN2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)n(-c2ccc(C)cc2)n1 ZINC001460524382 1067649594 /nfs/dbraw/zinc/64/95/94/1067649594.db2.gz RYORTRQNNYQWDS-UHFFFAOYSA-N 1 0 459.638 4.803 20 0 JJADRO CC(C)Oc1ccc(CCNC(=O)CN2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC001460524324 1067649610 /nfs/dbraw/zinc/64/96/10/1067649610.db2.gz QURBQCIADAWSNU-UHFFFAOYSA-N 1 0 451.655 4.508 20 0 JJADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001460535108 1067652547 /nfs/dbraw/zinc/65/25/47/1067652547.db2.gz UXQBRHYGBBYBRJ-UHFFFAOYSA-N 1 0 452.986 4.947 20 0 JJADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)c1 ZINC001460536868 1067653141 /nfs/dbraw/zinc/65/31/41/1067653141.db2.gz AMGHCMUVVADNAE-LJQANCHMSA-N 1 0 457.977 4.797 20 0 JJADRO COC(=O)/C=C/c1ccc(OCC[N@@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1 ZINC001460572182 1067658218 /nfs/dbraw/zinc/65/82/18/1067658218.db2.gz XCBACTMKOQUSHY-IHPPKGGTSA-N 1 0 457.570 4.652 20 0 JJADRO COc1ccc([C@@H]2CC[N@@H+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570475 1067658230 /nfs/dbraw/zinc/65/82/30/1067658230.db2.gz OUBUQMNZOGOGHV-WIYYLYMNSA-N 1 0 450.476 4.834 20 0 JJADRO CCC1(CC)CN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCS1 ZINC001546117396 1067659152 /nfs/dbraw/zinc/65/91/52/1067659152.db2.gz FGWKCOPTHGGVPC-HBMCJLEFSA-N 1 0 463.736 4.651 20 0 JJADRO CCC1([NH+](C)C)CCN(CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CC1 ZINC001460577182 1067659715 /nfs/dbraw/zinc/65/97/15/1067659715.db2.gz KAWJYPXRZGEELQ-UHFFFAOYSA-N 1 0 453.652 4.603 20 0 JJADRO CN(CCC[NH+]1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)C(=O)OC(C)(C)C ZINC001460606926 1067669717 /nfs/dbraw/zinc/66/97/17/1067669717.db2.gz VRXCYNVRMULUPW-UHFFFAOYSA-N 1 0 453.627 4.640 20 0 JJADRO CCOC(=O)c1c(CN2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)occ1C(F)(F)F ZINC001460634015 1067680166 /nfs/dbraw/zinc/68/01/66/1067680166.db2.gz BJUMNUSOEBJTAM-GOTSBHOMSA-N 1 0 450.501 4.819 20 0 JJADRO O=C(OCc1ccccc1)N1CCC[C@@](O)(C[NH+]2CCC(Cc3ccccc3Cl)CC2)C1 ZINC001460639197 1067681571 /nfs/dbraw/zinc/68/15/71/1067681571.db2.gz KJIUAFNEISDGIF-AREMUKBSSA-N 1 0 457.014 4.758 20 0 JJADRO O=C(OCc1ccccc1)N1CCC[C@](O)(C[NH+]2CCC(Cc3ccccc3Cl)CC2)C1 ZINC001460639199 1067681575 /nfs/dbraw/zinc/68/15/75/1067681575.db2.gz KJIUAFNEISDGIF-SANMLTNESA-N 1 0 457.014 4.758 20 0 JJADRO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC001460638917 1067681586 /nfs/dbraw/zinc/68/15/86/1067681586.db2.gz PUIJVDZPHISHHJ-RUZDIDTESA-N 1 0 457.977 4.797 20 0 JJADRO C[C@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCC[N@@H+]1CC(=O)NCCOc1cccc(F)c1 ZINC001460642061 1067682743 /nfs/dbraw/zinc/68/27/43/1067682743.db2.gz BTHPMPJZHMLBMZ-JOCHJYFZSA-N 1 0 456.455 4.576 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647529 1067685212 /nfs/dbraw/zinc/68/52/12/1067685212.db2.gz ACEYUVUWDQNDRO-BVAGGSTKSA-N 1 0 458.549 4.743 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](CCOc3ccc(F)c(Cl)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460649806 1067686766 /nfs/dbraw/zinc/68/67/66/1067686766.db2.gz HHRJGIROPSZUIS-SIKLNZKXSA-N 1 0 464.965 4.859 20 0 JJADRO Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654872 1067689374 /nfs/dbraw/zinc/68/93/74/1067689374.db2.gz GYKMFBWMVDVSQL-IRXDYDNUSA-N 1 0 455.546 4.979 20 0 JJADRO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC001460655995 1067689916 /nfs/dbraw/zinc/68/99/16/1067689916.db2.gz VHVCGPNNHGWXFW-UTKZUKDTSA-N 1 0 458.318 4.703 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)C1 ZINC001460664168 1067692549 /nfs/dbraw/zinc/69/25/49/1067692549.db2.gz GQYSEZGLZQAOII-QHAWAJNXSA-N 1 0 451.652 4.745 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC001460664426 1067693029 /nfs/dbraw/zinc/69/30/29/1067693029.db2.gz IJVODHIMIXNREA-VQIMIIECSA-N 1 0 455.521 4.755 20 0 JJADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001460671830 1067695013 /nfs/dbraw/zinc/69/50/13/1067695013.db2.gz SOJKHUPJXPAZQJ-FYYLOGMGSA-N 1 0 456.428 4.689 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001460680178 1067699138 /nfs/dbraw/zinc/69/91/38/1067699138.db2.gz SIHYISLNOKNDKJ-QFIPXVFZSA-N 1 0 457.537 4.907 20 0 JJADRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)cc1 ZINC001460693014 1067703290 /nfs/dbraw/zinc/70/32/90/1067703290.db2.gz RUAYQIPCGIKQBH-DHIUTWEWSA-N 1 0 451.611 4.788 20 0 JJADRO CCC1([NH+]2CCCCC2)CCN(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)CC1 ZINC001460703792 1067705285 /nfs/dbraw/zinc/70/52/85/1067705285.db2.gz AGYHISSXQRUDEF-UHFFFAOYSA-N 1 0 451.659 4.839 20 0 JJADRO CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001460707557 1067705898 /nfs/dbraw/zinc/70/58/98/1067705898.db2.gz IRWGYEPSOFDXKP-QGZVFWFLSA-N 1 0 458.466 4.549 20 0 JJADRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](C[C@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713941 1067707232 /nfs/dbraw/zinc/70/72/32/1067707232.db2.gz USFFNROARTWBHV-YJBOKZPZSA-N 1 0 453.004 4.922 20 0 JJADRO C[N@H+](Cc1ccccc1Oc1ccc(F)c(Cl)c1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC001460719461 1067708732 /nfs/dbraw/zinc/70/87/32/1067708732.db2.gz PTOXCDIUBRYUOA-QHCPKHFHSA-N 1 0 452.954 4.979 20 0 JJADRO COc1cccc([C@@H]2CC[N@H+](Cc3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2(C)C)c1 ZINC001460721417 1067709352 /nfs/dbraw/zinc/70/93/52/1067709352.db2.gz VEFGVOHSCUAEKN-IBGZPJMESA-N 1 0 453.539 4.539 20 0 JJADRO CC[N@@H+](Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1)C[C@H](O)CC1(O)CCOCC1 ZINC001460738882 1067712507 /nfs/dbraw/zinc/71/25/07/1067712507.db2.gz RXMLDFZMOHPBDX-HXUWFJFHSA-N 1 0 454.394 4.900 20 0 JJADRO Cc1cc2oc(=O)cc(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C3)c2cc1C ZINC001460750883 1067716027 /nfs/dbraw/zinc/71/60/27/1067716027.db2.gz XNBLIIBUTMSTPN-WMZOPIPTSA-N 1 0 454.489 4.545 20 0 JJADRO CC(C)(C)OC(=O)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(C)(C)C ZINC001460759061 1067718103 /nfs/dbraw/zinc/71/81/03/1067718103.db2.gz DZAOSXKDFJTAJL-RBZQAINGSA-N 1 0 468.613 4.914 20 0 JJADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](CCCSc1ccccc1Cl)C2 ZINC001460768712 1067720211 /nfs/dbraw/zinc/72/02/11/1067720211.db2.gz COPBDEBBCNZNNX-SAHWJRBASA-N 1 0 469.047 4.601 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001460776735 1067721531 /nfs/dbraw/zinc/72/15/31/1067721531.db2.gz ADEAQOPVRSNPKY-RUZDIDTESA-N 1 0 451.652 4.747 20 0 JJADRO C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778767 1067721551 /nfs/dbraw/zinc/72/15/51/1067721551.db2.gz PIFJLGYSXBIXRR-BXKMTCNYSA-N 1 0 458.628 4.736 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001460776737 1067721730 /nfs/dbraw/zinc/72/17/30/1067721730.db2.gz ADEAQOPVRSNPKY-VWLOTQADSA-N 1 0 451.652 4.747 20 0 JJADRO CCc1cc2c(C[N@@H+]3CCCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460779610 1067722011 /nfs/dbraw/zinc/72/20/11/1067722011.db2.gz WYHNJPOLYGZQDE-SANMLTNESA-N 1 0 456.583 4.674 20 0 JJADRO COc1cc(OC)c(NC(=O)CC[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)cc1Cl ZINC001460796378 1067725355 /nfs/dbraw/zinc/72/53/55/1067725355.db2.gz HCJQMFYUISSOJY-AWEZNQCLSA-N 1 0 450.004 4.511 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]([NH2+][C@H](CC)CO)c1ccccc1 ZINC001460797003 1067725447 /nfs/dbraw/zinc/72/54/47/1067725447.db2.gz ZGHZOQAUQMIVCM-KNQAVFIVSA-N 1 0 452.576 4.632 20 0 JJADRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccc(SC(F)(F)F)c1 ZINC001460801799 1067726637 /nfs/dbraw/zinc/72/66/37/1067726637.db2.gz ASMMOLXXEWOJEM-GFCCVEGCSA-N 1 0 455.893 4.822 20 0 JJADRO C[N@@H+](Cc1cc(F)ccc1Oc1ccc(Br)cc1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC001460800030 1067726652 /nfs/dbraw/zinc/72/66/52/1067726652.db2.gz HEXYYFSZPSVWMR-UGKGYDQZSA-N 1 0 452.364 4.724 20 0 JJADRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc(SC(F)(F)F)c1 ZINC001460805012 1067727486 /nfs/dbraw/zinc/72/74/86/1067727486.db2.gz VMVMZUJBCSERHM-LLVKDONJSA-N 1 0 457.543 4.627 20 0 JJADRO OC[C@@H]([NH2+]Cc1ccc(I)c(Cl)c1)c1ccccc1C(F)(F)F ZINC001460840303 1067732637 /nfs/dbraw/zinc/73/26/37/1067732637.db2.gz YDMXUSMGYGIKCD-OAHLLOKOSA-N 1 0 455.645 4.787 20 0 JJADRO C[C@H](CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)c(Br)c1 ZINC001460857379 1067735872 /nfs/dbraw/zinc/73/58/72/1067735872.db2.gz ZTNLUJDSYYSPBV-CYBMUJFWSA-N 1 0 453.318 4.957 20 0 JJADRO O=C(N1CCc2ccc([C@H](O)C[NH+]3CCC(CC4CCCCC4)CC3)cc2C1)C(F)(F)F ZINC001460857847 1067735955 /nfs/dbraw/zinc/73/59/55/1067735955.db2.gz NUXYXWQTCQJYPR-HSZRJFAPSA-N 1 0 452.561 4.849 20 0 JJADRO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001460874667 1067739923 /nfs/dbraw/zinc/73/99/23/1067739923.db2.gz RPLKNGNHLQCGBA-MOPGFXCFSA-N 1 0 458.318 4.915 20 0 JJADRO CC(C)(C)C[C@H](NC(=O)C[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc(F)cc1 ZINC001460882526 1067741686 /nfs/dbraw/zinc/74/16/86/1067741686.db2.gz GLUONIZCMSGCEU-SJBKTWHCSA-N 1 0 461.622 4.608 20 0 JJADRO Cc1ccc(S(=O)(=O)c2ccc(CN3CC[C@@H](CCNC(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001460881997 1067741853 /nfs/dbraw/zinc/74/18/53/1067741853.db2.gz OQUCIKIFSXAPKQ-OAQYLSRUSA-N 1 0 458.624 4.565 20 0 JJADRO Cc1cc(C)cc(C2CC[NH+](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)c1 ZINC001460900149 1067745877 /nfs/dbraw/zinc/74/58/77/1067745877.db2.gz YMLOHTKRVOFLHO-UIOOFZCWSA-N 1 0 452.639 4.980 20 0 JJADRO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC001460910710 1067746549 /nfs/dbraw/zinc/74/65/49/1067746549.db2.gz ZIAAKITXJRJITF-MZLICYQSSA-N 1 0 459.590 4.765 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC12CC[NH+](Cc1cc(=O)[nH]c(-c3ccccc3)n1)CC2 ZINC001460969016 1067754188 /nfs/dbraw/zinc/75/41/88/1067754188.db2.gz BCOOBYJRTNVSDQ-FQEVSTJZSA-N 1 0 452.599 4.756 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC001460979690 1067756110 /nfs/dbraw/zinc/75/61/10/1067756110.db2.gz GTMDIGFTLHFWPO-DNQXCXABSA-N 1 0 463.647 4.623 20 0 JJADRO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H]3[C@@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C3(C)C)C2=O)c1 ZINC001460983132 1067757007 /nfs/dbraw/zinc/75/70/07/1067757007.db2.gz UDJVUDYLIVJDLE-HVJHZFLKSA-N 1 0 459.606 4.643 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC001460985399 1067757688 /nfs/dbraw/zinc/75/76/88/1067757688.db2.gz ZXIIKCTXRJZYSP-IEBWSBKVSA-N 1 0 476.067 4.721 20 0 JJADRO COc1ccc([C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)N2CCCC2)cc1 ZINC001460987540 1067757936 /nfs/dbraw/zinc/75/79/36/1067757936.db2.gz BIVSCOXVWMZWTN-LJQANCHMSA-N 1 0 455.343 4.986 20 0 JJADRO COc1ccc([C@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)N2CCCC2)cc1 ZINC001460990116 1067758392 /nfs/dbraw/zinc/75/83/92/1067758392.db2.gz VKNXIAFSICCQOA-FQEVSTJZSA-N 1 0 455.343 4.986 20 0 JJADRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCOc1ccc(OC)cc1 ZINC001461003916 1067761051 /nfs/dbraw/zinc/76/10/51/1067761051.db2.gz AOHUOZOKMOQGRY-UHFFFAOYSA-N 1 0 459.178 4.788 20 0 JJADRO CCOc1cc(C[NH2+]Cc2cccc(NC(=O)c3ccco3)c2)cc(Br)c1OC ZINC001461037182 1067767026 /nfs/dbraw/zinc/76/70/26/1067767026.db2.gz GRENYHBYKNRJMM-UHFFFAOYSA-N 1 0 459.340 4.992 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001461050162 1067769510 /nfs/dbraw/zinc/76/95/10/1067769510.db2.gz KQAONWCRLDGOKV-OSPHWJPCSA-N 1 0 456.993 4.833 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC001461050164 1067769555 /nfs/dbraw/zinc/76/95/55/1067769555.db2.gz KQAONWCRLDGOKV-XDHUDOTRSA-N 1 0 456.993 4.833 20 0 JJADRO COc1ncc(Br)cc1C[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC001461050488 1067769572 /nfs/dbraw/zinc/76/95/72/1067769572.db2.gz HFWJWTGPQUQEQV-HXUWFJFHSA-N 1 0 458.425 4.803 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC001461050156 1067769635 /nfs/dbraw/zinc/76/96/35/1067769635.db2.gz KQAONWCRLDGOKV-BXKMTCNYSA-N 1 0 456.993 4.833 20 0 JJADRO Cc1ccc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC001461050946 1067769962 /nfs/dbraw/zinc/76/99/62/1067769962.db2.gz OBRHJTOFXCTDIX-UUOWRZLLSA-N 1 0 456.993 4.740 20 0 JJADRO CN1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)cc2)CC1 ZINC001461051332 1067770057 /nfs/dbraw/zinc/77/00/57/1067770057.db2.gz JOQICGOABULUMH-UHFFFAOYSA-N 1 0 457.496 4.643 20 0 JJADRO CCOc1cc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c(F)cc1OC ZINC001461053035 1067770673 /nfs/dbraw/zinc/77/06/73/1067770673.db2.gz YHPRMHLZQXEJPL-QRWLVFNGSA-N 1 0 454.945 4.577 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NCc2c(Br)cncc2Br)CC1 ZINC001461055534 1067771364 /nfs/dbraw/zinc/77/13/64/1067771364.db2.gz CWTUWUXDUUGDRO-UHFFFAOYSA-N 1 0 453.222 4.669 20 0 JJADRO Cc1ccc(Cn2cc(C[NH2+]CC(=O)N(C)Cc3ccccc3)c(-c3ccc(C)cc3)n2)cc1 ZINC001461064377 1067773932 /nfs/dbraw/zinc/77/39/32/1067773932.db2.gz FPEFZSZJEMMNCY-UHFFFAOYSA-N 1 0 452.602 4.963 20 0 JJADRO CC[C@H]([NH2+]Cc1ccnc2c(Br)cccc12)c1ccccc1OCC(=O)N(C)C ZINC001461064830 1067774182 /nfs/dbraw/zinc/77/41/82/1067774182.db2.gz QWPHZVNJSGOZPV-FQEVSTJZSA-N 1 0 456.384 4.705 20 0 JJADRO O=C(CC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC001461071515 1067776047 /nfs/dbraw/zinc/77/60/47/1067776047.db2.gz IXMMHTXCQRAMFT-UHFFFAOYSA-N 1 0 459.993 4.629 20 0 JJADRO CN(c1ccc(NCc2cnn(-c3ccc(Br)cc3)c2)cc1)C1CC[NH+](C)CC1 ZINC001461072112 1067776118 /nfs/dbraw/zinc/77/61/18/1067776118.db2.gz PSRYFBGOIMKZAD-UHFFFAOYSA-N 1 0 454.416 4.777 20 0 JJADRO Cc1ccc([C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)N2CCOCC2)cc1 ZINC001461083828 1067778317 /nfs/dbraw/zinc/77/83/17/1067778317.db2.gz BFTFJNBKDJPTMY-FQEVSTJZSA-N 1 0 457.334 4.939 20 0 JJADRO O=C1CCc2cc(OC[C@@H](O)C[NH2+]Cc3c(Cl)cccc3Oc3ccccc3)ccc2N1 ZINC001461092676 1067780481 /nfs/dbraw/zinc/78/04/81/1067780481.db2.gz JWTJRYDTIUWWRG-SFHVURJKSA-N 1 0 452.938 4.547 20 0 JJADRO COc1ccc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)c(Br)c1 ZINC001461093691 1067780502 /nfs/dbraw/zinc/78/05/02/1067780502.db2.gz FOCHMOBFMXOAJD-CQSZACIVSA-N 1 0 454.206 4.836 20 0 JJADRO C[NH+]1CCN(Cc2cccc(NCc3csc(-c4cccc(Br)c4)n3)c2)CC1 ZINC001461098972 1067781683 /nfs/dbraw/zinc/78/16/83/1067781683.db2.gz ZQTMUJHBMXUPJD-UHFFFAOYSA-N 1 0 457.441 4.932 20 0 JJADRO Cc1ccc(Cn2cc(C[NH2+]C[C@H](O)COc3cccc(F)c3)c(-c3ccc(C)cc3)n2)cc1 ZINC001461100920 1067782082 /nfs/dbraw/zinc/78/20/82/1067782082.db2.gz NPBSABSLPYPUQY-SANMLTNESA-N 1 0 459.565 4.884 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]CC3(c4ccc(F)cc4)CCOCC3)cccc2C1 ZINC001461100686 1067782118 /nfs/dbraw/zinc/78/21/18/1067782118.db2.gz KXNLXPPVDIHWSB-UHFFFAOYSA-N 1 0 454.586 4.957 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]CCC(=O)N1CCCCCC1 ZINC001461118108 1067784851 /nfs/dbraw/zinc/78/48/51/1067784851.db2.gz BWJQUZQWXIJAKQ-UHFFFAOYSA-N 1 0 450.558 4.994 20 0 JJADRO CC(C)(C)CC(=O)N1CCC([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC001461128860 1067786661 /nfs/dbraw/zinc/78/66/61/1067786661.db2.gz KSBIUSHPOAKTEV-UHFFFAOYSA-N 1 0 451.449 4.514 20 0 JJADRO Cc1ccc(Br)c(F)c1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC001461129499 1067787046 /nfs/dbraw/zinc/78/70/46/1067787046.db2.gz IGDWVYURGYLNSA-UHFFFAOYSA-N 1 0 458.169 4.569 20 0 JJADRO Cc1ccccc1COc1c(C)cc(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1C ZINC001461133604 1067787320 /nfs/dbraw/zinc/78/73/20/1067787320.db2.gz NHFQPGOKOJNWDO-MUUNZHRXSA-N 1 0 457.574 4.535 20 0 JJADRO CC[C@H](C)[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146090 1067788534 /nfs/dbraw/zinc/78/85/34/1067788534.db2.gz AUTBRPKNVJAXSS-BXKMTCNYSA-N 1 0 450.558 4.823 20 0 JJADRO COc1cc(Br)c(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)cc1OC ZINC001461147425 1067789128 /nfs/dbraw/zinc/78/91/28/1067789128.db2.gz RTSRACIUJZQHOS-UHFFFAOYSA-N 1 0 454.792 4.958 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)C1 ZINC001461151580 1067789843 /nfs/dbraw/zinc/78/98/43/1067789843.db2.gz UUKICBGFHRGNEE-WPFOTENUSA-N 1 0 453.631 4.741 20 0 JJADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCCNC(=O)OC(C)(C)C ZINC001461164751 1067791620 /nfs/dbraw/zinc/79/16/20/1067791620.db2.gz IPIKIOPGUCRNNH-UHFFFAOYSA-N 1 0 451.409 4.763 20 0 JJADRO O=C(NCC[NH2+]Cc1ccnc2c(Br)cccc12)c1ccccc1C(F)(F)F ZINC001461162790 1067791712 /nfs/dbraw/zinc/79/17/12/1067791712.db2.gz RTTXKGKOGWVNLZ-UHFFFAOYSA-N 1 0 452.274 4.536 20 0 JJADRO O=S(=O)(CCC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccccc1 ZINC001461168082 1067791957 /nfs/dbraw/zinc/79/19/57/1067791957.db2.gz NQTSFOOAIKYYMH-KRWDZBQOSA-N 1 0 455.420 4.512 20 0 JJADRO Cc1ccc(OCc2nc(C[NH2+]C[C@H](c3cccc(Cl)c3)N3CCOCC3)cs2)cc1 ZINC001461171761 1067792393 /nfs/dbraw/zinc/79/23/93/1067792393.db2.gz CJKHGRPJBXIOGG-HSZRJFAPSA-N 1 0 458.027 4.847 20 0 JJADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001461179263 1067793352 /nfs/dbraw/zinc/79/33/52/1067793352.db2.gz IJZQVBHWXAPNLN-OBGWFSINSA-N 1 0 450.551 4.656 20 0 JJADRO Nc1c(Br)cc(Br)cc1C[NH2+]Cc1csc(Br)c1 ZINC001461178826 1067793392 /nfs/dbraw/zinc/79/33/92/1067793392.db2.gz VGGPOSKJQXCMJY-UHFFFAOYSA-N 1 0 455.013 4.908 20 0 JJADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)C1 ZINC001461181804 1067794314 /nfs/dbraw/zinc/79/43/14/1067794314.db2.gz QBBZSEADYQRQSJ-KRWDZBQOSA-N 1 0 457.908 4.878 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)ccc1OCc1ccncc1 ZINC001461196050 1067797542 /nfs/dbraw/zinc/79/75/42/1067797542.db2.gz OTHBRTANWGGLNX-FQEVSTJZSA-N 1 0 455.505 4.639 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)C1CCCCC1 ZINC001461197922 1067797845 /nfs/dbraw/zinc/79/78/45/1067797845.db2.gz ZESOJKQCUQYVKE-LJQANCHMSA-N 1 0 451.974 4.623 20 0 JJADRO CCOc1cc(C[NH2+]Cc2cc(Br)c(OC)c(Br)c2)ccc1OC ZINC001461203809 1067798569 /nfs/dbraw/zinc/79/85/69/1067798569.db2.gz IYJJOSUMDOILLB-UHFFFAOYSA-N 1 0 459.178 4.917 20 0 JJADRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]C3CCN(Cc4ccccc4)CC3)c2)cc1 ZINC001461204800 1067799020 /nfs/dbraw/zinc/79/90/20/1067799020.db2.gz PQFUXBBLVUFQSJ-UHFFFAOYSA-N 1 0 459.590 4.581 20 0 JJADRO O=C1[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCCN1c1ccc(OC(F)F)cc1 ZINC001461209107 1067799810 /nfs/dbraw/zinc/79/98/10/1067799810.db2.gz KEDRUNUPQFJCIA-HSZRJFAPSA-N 1 0 453.489 4.547 20 0 JJADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(I)c(OC)c(OC)c2)C12CCCCC2 ZINC001461215018 1067800572 /nfs/dbraw/zinc/80/05/72/1067800572.db2.gz OENQWZQNMVSRBN-ZWKOTPCHSA-N 1 0 459.368 4.526 20 0 JJADRO CN(C)[C@@H](C[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1c(F)cccc1F ZINC001461223901 1067803509 /nfs/dbraw/zinc/80/35/09/1067803509.db2.gz RBFDDKBQWZHQCX-IBGZPJMESA-N 1 0 451.583 4.712 20 0 JJADRO O=C1[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCN1c1ccccc1Cl ZINC001461231959 1067805399 /nfs/dbraw/zinc/80/53/99/1067805399.db2.gz JFIOLLXQKAKQJD-NRFANRHFSA-N 1 0 450.385 4.882 20 0 JJADRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC001461234394 1067805651 /nfs/dbraw/zinc/80/56/51/1067805651.db2.gz RPQWAHALJLOZOM-MRXNPFEDSA-N 1 0 456.350 4.768 20 0 JJADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001461233794 1067805665 /nfs/dbraw/zinc/80/56/65/1067805665.db2.gz WBIBWUGIWWMXRS-UHFFFAOYSA-N 1 0 459.631 4.905 20 0 JJADRO COc1cccc(Oc2ncccc2CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC001461236580 1067806398 /nfs/dbraw/zinc/80/63/98/1067806398.db2.gz VBIDXHPNSHYHRW-UHFFFAOYSA-N 1 0 452.986 4.578 20 0 JJADRO COc1cc(C[NH2+][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc(OC)c1OCC(F)F ZINC001461237886 1067807000 /nfs/dbraw/zinc/80/70/00/1067807000.db2.gz FSJYGNWVLYCLSD-NSPYISDASA-N 1 0 450.309 4.866 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001461239581 1067807400 /nfs/dbraw/zinc/80/74/00/1067807400.db2.gz REYVNTCNJGJYDW-XCLFUZPHSA-N 1 0 452.755 4.947 20 0 JJADRO Cc1ccccc1O[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001461244190 1067808369 /nfs/dbraw/zinc/80/83/69/1067808369.db2.gz NIQUVZLNNJVMPT-SFHVURJKSA-N 1 0 453.410 4.570 20 0 JJADRO CCOc1cc(C[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC001461257611 1067811913 /nfs/dbraw/zinc/81/19/13/1067811913.db2.gz ZMSPNHOLGLEMOU-AREMUKBSSA-N 1 0 458.549 4.996 20 0 JJADRO CS(=O)(=O)Cc1ccc(F)cc1C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC001461258269 1067812476 /nfs/dbraw/zinc/81/24/76/1067812476.db2.gz ZEZFYNPTFMZRNP-UHFFFAOYSA-N 1 0 452.345 4.683 20 0 JJADRO FC(F)(F)c1cccnc1NCC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC001461261712 1067812844 /nfs/dbraw/zinc/81/28/44/1067812844.db2.gz AOQLBCUQFAYSNS-UHFFFAOYSA-N 1 0 453.100 4.827 20 0 JJADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001461260741 1067812956 /nfs/dbraw/zinc/81/29/56/1067812956.db2.gz JGYXPMCRQDOBOZ-DYESRHJHSA-N 1 0 452.039 4.655 20 0 JJADRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)C1 ZINC001461279427 1067816611 /nfs/dbraw/zinc/81/66/11/1067816611.db2.gz CVGJJJQADXEMOR-RUZDIDTESA-N 1 0 459.590 4.738 20 0 JJADRO COc1cc(OC)cc(OCC[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c1 ZINC001461282454 1067817715 /nfs/dbraw/zinc/81/77/15/1067817715.db2.gz LMOVBNJLQVGELT-UHFFFAOYSA-N 1 0 450.366 4.732 20 0 JJADRO COc1cc(Br)c(CNc2ccc(CC[NH+]3CCSCC3)cc2)c(OC)c1 ZINC001461300381 1067822141 /nfs/dbraw/zinc/82/21/41/1067822141.db2.gz HJOGLHKPGUESOB-UHFFFAOYSA-N 1 0 451.430 4.670 20 0 JJADRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001461298615 1067822174 /nfs/dbraw/zinc/82/21/74/1067822174.db2.gz DFSKRPATPLNUNC-IPMKNSEASA-N 1 0 453.583 4.985 20 0 JJADRO C[NH+](C)CCOc1cccc(NCc2cc(Br)ccc2OCc2ccccn2)c1 ZINC001461305274 1067824047 /nfs/dbraw/zinc/82/40/47/1067824047.db2.gz HUSJQSKBIGJNFK-UHFFFAOYSA-N 1 0 456.384 4.976 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001461307026 1067824394 /nfs/dbraw/zinc/82/43/94/1067824394.db2.gz HJSNQINRAHZXMH-RNIPGJKVSA-N 1 0 450.549 4.676 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NCc3c(F)ccc(C4OCCO4)c3Cl)cc2F)CC1 ZINC001461318831 1067827170 /nfs/dbraw/zinc/82/71/70/1067827170.db2.gz YLZNHZPFJMEQFI-UHFFFAOYSA-N 1 0 451.945 4.806 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC001461330060 1067830272 /nfs/dbraw/zinc/83/02/72/1067830272.db2.gz DSZGFUKFMFPCLR-NRFANRHFSA-N 1 0 458.393 4.549 20 0 JJADRO C[NH+](C)CCOc1cc(C(=O)Nc2cccc(Oc3ccc(Br)cc3)c2)ccn1 ZINC001461329716 1067830575 /nfs/dbraw/zinc/83/05/75/1067830575.db2.gz GWKIRSGIKIKYSP-UHFFFAOYSA-N 1 0 456.340 4.829 20 0 JJADRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)C1 ZINC001461339093 1067833003 /nfs/dbraw/zinc/83/30/03/1067833003.db2.gz BANKOODAOSUONZ-DEOSSOPVSA-N 1 0 450.529 4.867 20 0 JJADRO Brc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCO[C@@H]2CCOC2)cc1 ZINC001461338499 1067833022 /nfs/dbraw/zinc/83/30/22/1067833022.db2.gz VMNZIQMAONRTER-JOCHJYFZSA-N 1 0 456.384 4.587 20 0 JJADRO Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001461344409 1067834655 /nfs/dbraw/zinc/83/46/55/1067834655.db2.gz JDEWGRLGSJIYDM-UHFFFAOYSA-N 1 0 456.656 4.768 20 0 JJADRO CCOc1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc(Br)c1OCc1ccccc1 ZINC001461350297 1067836382 /nfs/dbraw/zinc/83/63/82/1067836382.db2.gz OZADIUMDHQNERG-IBGZPJMESA-N 1 0 456.384 4.797 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc(Cl)c1OCC(N)=O ZINC001461354213 1067836696 /nfs/dbraw/zinc/83/66/96/1067836696.db2.gz LVZRXLPDUFWURD-MAUKXSAKSA-N 1 0 456.892 4.657 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc(Br)c1OC(F)F ZINC001461356908 1067837392 /nfs/dbraw/zinc/83/73/92/1067837392.db2.gz LLNHMJUHKYHRJO-CYBMUJFWSA-N 1 0 452.361 4.594 20 0 JJADRO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(Cl)n(-c4ccccc4)nc3C(C)(C)C)nc2)C1 ZINC001461357462 1067837680 /nfs/dbraw/zinc/83/76/80/1067837680.db2.gz SCKOEYZRNWPCTP-HXUWFJFHSA-N 1 0 453.034 4.971 20 0 JJADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(Br)cc(Br)c1 ZINC001461361068 1067838412 /nfs/dbraw/zinc/83/84/12/1067838412.db2.gz MJRLRXKLVRRKAZ-MJGOQNOKSA-N 1 0 464.201 4.968 20 0 JJADRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001461373126 1067840500 /nfs/dbraw/zinc/84/05/00/1067840500.db2.gz NTGORLWSURUJQL-FQEVSTJZSA-N 1 0 450.627 4.690 20 0 JJADRO COc1cc(Br)c(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001461381214 1067842872 /nfs/dbraw/zinc/84/28/72/1067842872.db2.gz LBDPUDUTRWHMII-CZTZKLFOSA-N 1 0 459.428 4.857 20 0 JJADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC001461402651 1067847113 /nfs/dbraw/zinc/84/71/13/1067847113.db2.gz KNJRZPIEGRZQPR-IBGZPJMESA-N 1 0 451.380 4.762 20 0 JJADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC001461402652 1067847205 /nfs/dbraw/zinc/84/72/05/1067847205.db2.gz KNJRZPIEGRZQPR-LJQANCHMSA-N 1 0 451.380 4.762 20 0 JJADRO COc1cc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)ccc1OCc1c(C)noc1C ZINC001461405078 1067847645 /nfs/dbraw/zinc/84/76/45/1067847645.db2.gz AMAFKLRITCGGCL-HXUWFJFHSA-N 1 0 450.457 4.721 20 0 JJADRO CN1CC[C@@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461407971 1067848261 /nfs/dbraw/zinc/84/82/61/1067848261.db2.gz PICATWLDBZRLKX-IFXJQAMLSA-N 1 0 455.755 4.753 20 0 JJADRO COc1ccc(C[C@@H](C)C[NH2+]Cc2ncc(Br)cc2Br)cc1OC ZINC001461409887 1067848650 /nfs/dbraw/zinc/84/86/50/1067848650.db2.gz UPHARGAQLVGLAY-GFCCVEGCSA-N 1 0 458.194 4.592 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001461411169 1067849202 /nfs/dbraw/zinc/84/92/02/1067849202.db2.gz HLJLUUFKTCTURR-IBGZPJMESA-N 1 0 457.405 4.685 20 0 JJADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1ccc(Cl)cc1 ZINC001461414839 1067850342 /nfs/dbraw/zinc/85/03/42/1067850342.db2.gz WMGKJHKMJKPCPT-JOCHJYFZSA-N 1 0 456.030 4.876 20 0 JJADRO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461421675 1067852883 /nfs/dbraw/zinc/85/28/83/1067852883.db2.gz YCAUSXFOSZIZQL-SFLYRZDNSA-N 1 0 453.631 4.899 20 0 JJADRO CC(C)(C)n1cc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c(-c2ccccc2Cl)n1 ZINC001461427051 1067853491 /nfs/dbraw/zinc/85/34/91/1067853491.db2.gz RHYVWNFQXRGAHW-UHFFFAOYSA-N 1 0 457.981 4.619 20 0 JJADRO CSc1cc(Br)ccc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC001461430981 1067854456 /nfs/dbraw/zinc/85/44/56/1067854456.db2.gz KMMNRXVGEGHJTQ-CYBMUJFWSA-N 1 0 459.247 4.874 20 0 JJADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CO)Cc2ccc(C)cc2)c1 ZINC001461433019 1067854812 /nfs/dbraw/zinc/85/48/12/1067854812.db2.gz QDWIZOIWRORQCD-HSZRJFAPSA-N 1 0 457.574 4.558 20 0 JJADRO COC[C@H](C)Oc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC001461434275 1067855481 /nfs/dbraw/zinc/85/54/81/1067855481.db2.gz LJHZVAPZLZWNBG-KRWDZBQOSA-N 1 0 450.501 4.514 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2C1 ZINC001461436983 1067856409 /nfs/dbraw/zinc/85/64/09/1067856409.db2.gz SYLBYJIXBAWURW-QGZVFWFLSA-N 1 0 451.633 4.530 20 0 JJADRO COc1cc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 ZINC001461439798 1067856801 /nfs/dbraw/zinc/85/68/01/1067856801.db2.gz GLIIUSVYIAELMU-IBGZPJMESA-N 1 0 457.567 4.674 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)N(C)C ZINC001461440236 1067857371 /nfs/dbraw/zinc/85/73/71/1067857371.db2.gz BJEDTTXQMAENFH-CZSZKKDXSA-N 1 0 455.643 4.927 20 0 JJADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001461454434 1067860729 /nfs/dbraw/zinc/86/07/29/1067860729.db2.gz FPVWHEFANPCLLE-QFIPXVFZSA-N 1 0 451.014 4.774 20 0 JJADRO CCc1oc2ccccc2c1C[NH2+]C[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F ZINC001461454572 1067860930 /nfs/dbraw/zinc/86/09/30/1067860930.db2.gz GXOYQMPUZCXWBQ-FQEVSTJZSA-N 1 0 455.521 4.568 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH2+]C[C@@H](CO)CC3CCOCC3)n2)cc1 ZINC001461465516 1067863690 /nfs/dbraw/zinc/86/36/90/1067863690.db2.gz RBKREYLQQAIUMK-FQEVSTJZSA-N 1 0 455.599 4.610 20 0 JJADRO C[N@H+](Cc1ccc2nc(NC(=O)C3(CNC(=O)OC(C)(C)C)CCCC3)sc2c1)C1CC1 ZINC001461475070 1067868177 /nfs/dbraw/zinc/86/81/77/1067868177.db2.gz KTDWXSGMKYSDKL-UHFFFAOYSA-N 1 0 458.628 4.914 20 0 JJADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CCN1C(=O)OC(C)(C)C ZINC001461476262 1067868516 /nfs/dbraw/zinc/86/85/16/1067868516.db2.gz XXNAHVSNQGDIPX-AVRDEDQJSA-N 1 0 459.631 4.857 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC001461477166 1067868805 /nfs/dbraw/zinc/86/88/05/1067868805.db2.gz ADMLFFLHMYKIPB-QGZVFWFLSA-N 1 0 454.453 4.649 20 0 JJADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC001461481064 1067870977 /nfs/dbraw/zinc/87/09/77/1067870977.db2.gz PWUIXDYUJPURIT-HSZRJFAPSA-N 1 0 451.051 4.766 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC001461481913 1067871224 /nfs/dbraw/zinc/87/12/24/1067871224.db2.gz RQQBZRHYPLDZDT-OAHLLOKOSA-N 1 0 451.409 4.678 20 0 JJADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001461496848 1067876324 /nfs/dbraw/zinc/87/63/24/1067876324.db2.gz VAQRXQUSYWIMFH-MRXNPFEDSA-N 1 0 451.514 4.595 20 0 JJADRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)CCO1 ZINC001461511073 1067879009 /nfs/dbraw/zinc/87/90/09/1067879009.db2.gz RFUHARCIEJAJCF-AUSIDOKSSA-N 1 0 456.384 4.772 20 0 JJADRO COc1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)cc(C(F)(F)F)c1 ZINC001461509871 1067879269 /nfs/dbraw/zinc/87/92/69/1067879269.db2.gz CWAMHOMQQXUNSZ-AWEZNQCLSA-N 1 0 450.270 4.556 20 0 JJADRO Cc1sc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)cc1Br ZINC001461513694 1067879500 /nfs/dbraw/zinc/87/95/00/1067879500.db2.gz NMSPNMLBZYNOGO-LBPRGKRZSA-N 1 0 451.199 4.661 20 0 JJADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC001461511312 1067879583 /nfs/dbraw/zinc/87/95/83/1067879583.db2.gz HTUVSPXXFRDCBS-ZDUSSCGKSA-N 1 0 453.427 4.584 20 0 JJADRO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c(C(F)F)n1 ZINC001461518152 1067880410 /nfs/dbraw/zinc/88/04/10/1067880410.db2.gz CQQCDLMGTXDNHJ-VQIMIIECSA-N 1 0 452.521 4.627 20 0 JJADRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC001461519941 1067880628 /nfs/dbraw/zinc/88/06/28/1067880628.db2.gz LXUCIKBFRUHKQU-NFBKMPQASA-N 1 0 458.574 4.973 20 0 JJADRO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1=O ZINC001461531677 1067882801 /nfs/dbraw/zinc/88/28/01/1067882801.db2.gz LJAHSSVYVRWXTR-VFNWGFHPSA-N 1 0 459.359 4.706 20 0 JJADRO COc1cc(C[NH2+]CCc2cc3ccccc3s2)cc(I)c1OC ZINC001461539240 1067884371 /nfs/dbraw/zinc/88/43/71/1067884371.db2.gz LAGVFNOTVIEQGK-UHFFFAOYSA-N 1 0 453.345 4.855 20 0 JJADRO O[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC001461552565 1067886522 /nfs/dbraw/zinc/88/65/22/1067886522.db2.gz PKWSLVYPNKZXMW-QZTJIDSGSA-N 1 0 455.190 4.794 20 0 JJADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC001461553642 1067886931 /nfs/dbraw/zinc/88/69/31/1067886931.db2.gz YOPKNGLSJBLYJU-UHFFFAOYSA-N 1 0 456.384 4.827 20 0 JJADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](CCO)c3cccc(OC(F)(F)F)c3)cnc12 ZINC001461589661 1067895423 /nfs/dbraw/zinc/89/54/23/1067895423.db2.gz GUGQDTWPWDGALF-KRWDZBQOSA-N 1 0 458.278 4.517 20 0 JJADRO COc1ccc(OC(F)F)c(C[NH2+]Cc2cc(Cl)cc(I)c2)c1 ZINC001461591112 1067896077 /nfs/dbraw/zinc/89/60/77/1067896077.db2.gz HXOTZSDHRGLXJZ-UHFFFAOYSA-N 1 0 453.654 4.844 20 0 JJADRO CC(C)[C@H]1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001461594563 1067896638 /nfs/dbraw/zinc/89/66/38/1067896638.db2.gz DRIJLCKKTIOWFL-JOCHJYFZSA-N 1 0 452.986 4.692 20 0 JJADRO CC(C)[C@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001461598806 1067898526 /nfs/dbraw/zinc/89/85/26/1067898526.db2.gz MODVPMXGZFJPCP-NRUKRLKBSA-N 1 0 453.671 4.611 20 0 JJADRO CNC(=O)[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1ccc(F)cc1C ZINC001461599649 1067898604 /nfs/dbraw/zinc/89/86/04/1067898604.db2.gz KYXCSJYCVSXPLW-HSZRJFAPSA-N 1 0 456.565 4.681 20 0 JJADRO CCOc1cc(CNc2cc(Br)ccc2N(C)CC[NH+](C)C)c(F)cc1OC ZINC001461612437 1067901891 /nfs/dbraw/zinc/90/18/91/1067901891.db2.gz LYMXCGBRIMIEEY-UHFFFAOYSA-N 1 0 454.384 4.605 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCS[C@@H]2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001461622399 1067903245 /nfs/dbraw/zinc/90/32/45/1067903245.db2.gz DMUGHTKOTRACSF-PBHICJAKSA-N 1 0 454.514 4.715 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C12CCC2 ZINC001461621581 1067903263 /nfs/dbraw/zinc/90/32/63/1067903263.db2.gz VPXUIIMOQRFOIF-OALUTQOASA-N 1 0 450.505 4.817 20 0 JJADRO COc1ccc(OC)c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)c1 ZINC001461623630 1067903591 /nfs/dbraw/zinc/90/35/91/1067903591.db2.gz BFXYMPMVRQLEFR-UNMCSNQZSA-N 1 0 474.573 4.734 20 0 JJADRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]Cc1ccc2occc2c1 ZINC001461622767 1067903710 /nfs/dbraw/zinc/90/37/10/1067903710.db2.gz RLLFHGRYICMFRK-UHFFFAOYSA-N 1 0 454.411 4.622 20 0 JJADRO CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CC[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC001461624196 1067904103 /nfs/dbraw/zinc/90/41/03/1067904103.db2.gz SKGFXGQMNLWXIF-HXUWFJFHSA-N 1 0 451.546 4.643 20 0 JJADRO Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)c3ccccc3n2)cc1 ZINC001461627381 1067904849 /nfs/dbraw/zinc/90/48/49/1067904849.db2.gz IDANFAYWPBRWDZ-UHFFFAOYSA-N 1 0 452.558 4.754 20 0 JJADRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c(F)c1OC ZINC001461628196 1067905261 /nfs/dbraw/zinc/90/52/61/1067905261.db2.gz QHARGKAAKXVTPY-WOJBJXKFSA-N 1 0 462.537 4.865 20 0 JJADRO O=C(NCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1)c1ccc(Br)cn1 ZINC001461630676 1067905579 /nfs/dbraw/zinc/90/55/79/1067905579.db2.gz JVQPWZBEDLKYBV-UHFFFAOYSA-N 1 0 450.789 4.746 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC001461629650 1067905656 /nfs/dbraw/zinc/90/56/56/1067905656.db2.gz SXTDEOVZNPJAFC-FPOVZHCZSA-N 1 0 457.640 4.913 20 0 JJADRO CCCn1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)c(C)n1 ZINC001461631193 1067906114 /nfs/dbraw/zinc/90/61/14/1067906114.db2.gz XGNYRZIZNHKEFR-ZEQRLZLVSA-N 1 0 456.631 4.883 20 0 JJADRO CCOc1cc(C[NH2+]Cc2cccnc2N2CCCC2)cc(Br)c1OC(F)F ZINC001461636820 1067906937 /nfs/dbraw/zinc/90/69/37/1067906937.db2.gz WXXPEURQIMASLO-UHFFFAOYSA-N 1 0 456.331 4.734 20 0 JJADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c2)cc1 ZINC001461646225 1067908470 /nfs/dbraw/zinc/90/84/70/1067908470.db2.gz REPZEGJEXRHFQU-HSZRJFAPSA-N 1 0 455.599 4.977 20 0 JJADRO FC(F)(F)c1ccc(Cn2cc(C[NH2+]Cc3cccc(COC[C@@H]4CCCO4)c3)cn2)cc1 ZINC001461644807 1067908625 /nfs/dbraw/zinc/90/86/25/1067908625.db2.gz FOTBLJWTNQNOND-DEOSSOPVSA-N 1 0 459.512 4.936 20 0 JJADRO Cc1cc(Br)c(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)cc1Br ZINC001461654049 1067910956 /nfs/dbraw/zinc/91/09/56/1067910956.db2.gz DCJMNAWGUWCMMV-GFCCVEGCSA-N 1 0 450.215 4.865 20 0 JJADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@]2(C)COc3ccccc3O2)cc1Br ZINC001461663165 1067912884 /nfs/dbraw/zinc/91/28/84/1067912884.db2.gz WJUIUBLVPBYHBB-LHSJRXKWSA-N 1 0 454.336 4.589 20 0 JJADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@@]2(C)COc3ccccc3O2)cc1Br ZINC001461663174 1067913014 /nfs/dbraw/zinc/91/30/14/1067913014.db2.gz WJUIUBLVPBYHBB-QKKBWIMNSA-N 1 0 454.336 4.589 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]Cc3ccc(Cl)cc3-n3cncn3)cccc2C1 ZINC001461674431 1067915475 /nfs/dbraw/zinc/91/54/75/1067915475.db2.gz FIDIIVZOHWTJDV-UHFFFAOYSA-N 1 0 453.974 4.504 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCOCCCNC(=O)OC(C)(C)C ZINC001461683688 1067917776 /nfs/dbraw/zinc/91/77/76/1067917776.db2.gz QCJPIWAOFNYDPE-UHFFFAOYSA-N 1 0 457.402 4.509 20 0 JJADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001461692660 1067919527 /nfs/dbraw/zinc/91/95/27/1067919527.db2.gz ZUGVCMFGSQNDSA-JCNLHEQBSA-N 1 0 453.414 4.940 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC001461693635 1067919694 /nfs/dbraw/zinc/91/96/94/1067919694.db2.gz FPZONOMZMBOQEY-JOCHJYFZSA-N 1 0 459.421 4.787 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC001461693642 1067919710 /nfs/dbraw/zinc/91/97/10/1067919710.db2.gz FPZONOMZMBOQEY-QFIPXVFZSA-N 1 0 459.421 4.787 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1 ZINC001461694800 1067919916 /nfs/dbraw/zinc/91/99/16/1067919916.db2.gz NIWXXTFWXKZZJS-XMMPIXPASA-N 1 0 452.574 4.686 20 0 JJADRO COc1cc(C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C ZINC001461695627 1067920076 /nfs/dbraw/zinc/92/00/76/1067920076.db2.gz NWUNKNSAODPKPZ-FQEVSTJZSA-N 1 0 450.457 4.721 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC001461696352 1067920360 /nfs/dbraw/zinc/92/03/60/1067920360.db2.gz SHFSOROXTDKJDC-XMMPIXPASA-N 1 0 451.611 4.538 20 0 JJADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001461699435 1067921253 /nfs/dbraw/zinc/92/12/53/1067921253.db2.gz FGCDNFLDPPBQOV-AZUAARDMSA-N 1 0 459.660 4.857 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001461716821 1067924138 /nfs/dbraw/zinc/92/41/38/1067924138.db2.gz LZOHYAQTLBRPOM-FQEVSTJZSA-N 1 0 457.405 4.729 20 0 JJADRO CCOc1c(Br)cc(C[NH2+]Cc2cc(Br)cc(OC)c2)cc1OC ZINC001461744774 1067929538 /nfs/dbraw/zinc/92/95/38/1067929538.db2.gz MBIRHGBJOACIDL-UHFFFAOYSA-N 1 0 459.178 4.917 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC001461749113 1067930221 /nfs/dbraw/zinc/93/02/21/1067930221.db2.gz FCHGGMOKONMKPM-AWEZNQCLSA-N 1 0 456.427 4.749 20 0 JJADRO CSCc1ccc(C[NH2+]Cc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC001461751536 1067930284 /nfs/dbraw/zinc/93/02/84/1067930284.db2.gz GMZGGPOHDIUCGU-UHFFFAOYSA-N 1 0 455.668 4.892 20 0 JJADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC001461756695 1067931393 /nfs/dbraw/zinc/93/13/93/1067931393.db2.gz PVPHXODOJPKQLC-UHFFFAOYSA-N 1 0 455.484 4.649 20 0 JJADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001461764495 1067932612 /nfs/dbraw/zinc/93/26/12/1067932612.db2.gz JFAVTHBUUNEELW-UYAOXDASSA-N 1 0 456.631 4.906 20 0 JJADRO Cc1cc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)ccc1NC(=O)OC(C)(C)C ZINC001461767048 1067933018 /nfs/dbraw/zinc/93/30/18/1067933018.db2.gz AAZKYVYRKMINMI-UHFFFAOYSA-N 1 0 452.599 4.883 20 0 JJADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC001461770441 1067933405 /nfs/dbraw/zinc/93/34/05/1067933405.db2.gz MLGSREARCUFFIA-LEWJYISDSA-N 1 0 455.603 4.528 20 0 JJADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C3CN(c4ccc(C(F)(F)F)cc4)C3)c2)cc1 ZINC001461771272 1067933879 /nfs/dbraw/zinc/93/38/79/1067933879.db2.gz WEHBLFAUUZKCHQ-UHFFFAOYSA-N 1 0 455.480 4.945 20 0 JJADRO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CC1 ZINC001461773141 1067934591 /nfs/dbraw/zinc/93/45/91/1067934591.db2.gz AJMOIOSWHCZRGK-JAQLMMITSA-N 1 0 457.659 4.628 20 0 JJADRO CO[C@@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CCSC1 ZINC001461775387 1067935346 /nfs/dbraw/zinc/93/53/46/1067935346.db2.gz FLRHEHISHMHCMQ-JOCHJYFZSA-N 1 0 458.425 4.914 20 0 JJADRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)C(F)(F)F ZINC001461779840 1067935629 /nfs/dbraw/zinc/93/56/29/1067935629.db2.gz XGKLITHRLFHOSB-KXPUMZMLSA-N 1 0 451.308 4.506 20 0 JJADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2Oc2ccc(F)c(C)c2)CC1 ZINC001461782139 1067936472 /nfs/dbraw/zinc/93/64/72/1067936472.db2.gz ZWCGTOIKRRFALE-UHFFFAOYSA-N 1 0 454.995 4.874 20 0 JJADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC001461783558 1067936520 /nfs/dbraw/zinc/93/65/20/1067936520.db2.gz VUNUIASYBKCWRZ-NHCUHLMSSA-N 1 0 477.399 4.965 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCS[C@H](C)C2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461803049 1067939325 /nfs/dbraw/zinc/93/93/25/1067939325.db2.gz XVFYFSJGNYPPPR-ZBFHGGJFSA-N 1 0 452.979 4.879 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCS[C@@H](C)C2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461803035 1067939417 /nfs/dbraw/zinc/93/94/17/1067939417.db2.gz XVFYFSJGNYPPPR-GOEBONIOSA-N 1 0 452.979 4.879 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC001461821320 1067941721 /nfs/dbraw/zinc/94/17/21/1067941721.db2.gz UOUCQNIFKJDENT-IBGZPJMESA-N 1 0 452.039 4.694 20 0 JJADRO Brc1cnc2n1C[C@H]([NH2+]Cc1ccc(-c3cccc(Br)c3)o1)CC2 ZINC001461820491 1067941729 /nfs/dbraw/zinc/94/17/29/1067941729.db2.gz VYPXQNPRVRMAIJ-CQSZACIVSA-N 1 0 451.162 4.773 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1[C@H](C[NH2+]Cc1cc2ccccc2n(C)c1=O)C(F)(F)F ZINC001461821521 1067942093 /nfs/dbraw/zinc/94/20/93/1067942093.db2.gz RUFHDTLICZNUNM-NRFANRHFSA-N 1 0 454.496 4.777 20 0 JJADRO COc1cc(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc(OC)c1OCC(F)F ZINC001461823440 1067942135 /nfs/dbraw/zinc/94/21/35/1067942135.db2.gz CQJHNKAOOVYDRY-UHFFFAOYSA-N 1 0 452.498 4.985 20 0 JJADRO COc1nc(C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)cc2ccccc21 ZINC001461827750 1067942848 /nfs/dbraw/zinc/94/28/48/1067942848.db2.gz GNMCMNMASBQOQL-GOSISDBHSA-N 1 0 454.368 4.529 20 0 JJADRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2cc3ccc(F)cc3[nH]c2=O)CC1 ZINC001461851944 1067947156 /nfs/dbraw/zinc/94/71/56/1067947156.db2.gz KADXJSJRZXXVKC-UHFFFAOYSA-N 1 0 458.331 4.693 20 0 JJADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCO1 ZINC001461854813 1067947714 /nfs/dbraw/zinc/94/77/14/1067947714.db2.gz YKJWFCVRTIKTOL-GCJKJVERSA-N 1 0 451.007 4.882 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)C1 ZINC001461861336 1067949174 /nfs/dbraw/zinc/94/91/74/1067949174.db2.gz FXVZXLSTOZBAJZ-QFIPXVFZSA-N 1 0 455.643 4.537 20 0 JJADRO Cn1nc(C(=O)OC(C)(C)C)cc1CN1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001461870549 1067951267 /nfs/dbraw/zinc/95/12/67/1067951267.db2.gz RRYJSQKUDMLZTR-UHFFFAOYSA-N 1 0 454.398 4.973 20 0 JJADRO CCOc1cc(C(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)cc(OCC)c1OCC ZINC001461885337 1067954548 /nfs/dbraw/zinc/95/45/48/1067954548.db2.gz WWHMVLNUNAZYKU-UHFFFAOYSA-N 1 0 452.595 4.502 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1 ZINC001461885936 1067954566 /nfs/dbraw/zinc/95/45/66/1067954566.db2.gz SKRATBJZKQARGR-CZIOMAOESA-N 1 0 454.442 4.930 20 0 JJADRO COc1cccc(OC)c1OC1CC[NH+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC001461891121 1067955818 /nfs/dbraw/zinc/95/58/18/1067955818.db2.gz BEOYJYHPUJFKBF-UHFFFAOYSA-N 1 0 456.583 4.772 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001461894323 1067956287 /nfs/dbraw/zinc/95/62/87/1067956287.db2.gz CUVMJVUPNXKWTN-XMMPIXPASA-N 1 0 450.023 4.525 20 0 JJADRO COCc1ccccc1/C=C(/C)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001461899204 1067957529 /nfs/dbraw/zinc/95/75/29/1067957529.db2.gz ODOGUCOIWHQIPF-GTVARFKMSA-N 1 0 458.400 4.745 20 0 JJADRO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC001461900186 1067957536 /nfs/dbraw/zinc/95/75/36/1067957536.db2.gz ORXMTXZRWSZMAQ-UHFFFAOYSA-N 1 0 454.011 4.936 20 0 JJADRO CC1CC[NH+](C[C@H]2CCCN(Cc3ccc(N4CCC[C@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899085 1067957613 /nfs/dbraw/zinc/95/76/13/1067957613.db2.gz NMBSULOUZJFAKQ-PKTZIBPZSA-N 1 0 459.675 4.782 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1)C(=O)OC(C)(C)C ZINC001461902411 1067958393 /nfs/dbraw/zinc/95/83/93/1067958393.db2.gz NVEFIIVNXPOSLT-ZDUSSCGKSA-N 1 0 455.422 4.590 20 0 JJADRO C[C@H](C[N@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O)c1ccccc1 ZINC001461912688 1067960084 /nfs/dbraw/zinc/96/00/84/1067960084.db2.gz HCWGOLXYXZDZQJ-MRXNPFEDSA-N 1 0 456.471 4.821 20 0 JJADRO COc1ccc(N(C(C)=O)c2nc(CN3CCC(CCC[NH+]4CCCC4)CC3)cs2)cc1 ZINC001461917458 1067960535 /nfs/dbraw/zinc/96/05/35/1067960535.db2.gz FYTRZGZJEVBZIL-UHFFFAOYSA-N 1 0 456.656 4.924 20 0 JJADRO C[N@H+](Cc1cc(OC(F)F)ccc1Br)C1CCN(C(=O)c2ccccc2)CC1 ZINC001461917785 1067961044 /nfs/dbraw/zinc/96/10/44/1067961044.db2.gz VSINHAKRHBJCEF-UHFFFAOYSA-N 1 0 453.327 4.787 20 0 JJADRO COC(=O)[C@@H](C)Oc1ccccc1C[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929609 1067962720 /nfs/dbraw/zinc/96/27/20/1067962720.db2.gz XJSGCKGZICPSBR-UXHICEINSA-N 1 0 455.599 4.902 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC001461947746 1067966805 /nfs/dbraw/zinc/96/68/05/1067966805.db2.gz DUNJYBSWBZFNHC-RUZDIDTESA-N 1 0 456.656 4.575 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001461948950 1067967220 /nfs/dbraw/zinc/96/72/20/1067967220.db2.gz JLQLREVTCIDTDY-YADHBBJMSA-N 1 0 457.594 4.586 20 0 JJADRO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CC(Cc3ccccc3)Cc3ccccc3)C2=O)c1 ZINC001461968062 1067971505 /nfs/dbraw/zinc/97/15/05/1067971505.db2.gz NMYJVVYMJNPFAM-NDEPHWFRSA-N 1 0 458.602 4.843 20 0 JJADRO CC[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001461985816 1067975454 /nfs/dbraw/zinc/97/54/54/1067975454.db2.gz GMHIWGKVAQJRMB-UHFFFAOYSA-N 1 0 450.606 4.783 20 0 JJADRO Cc1ccnc(OC2CC[NH+](Cc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)CC2)c1 ZINC001461997888 1067977664 /nfs/dbraw/zinc/97/76/64/1067977664.db2.gz NWKBYOCMVFFUCR-UHFFFAOYSA-N 1 0 455.599 4.585 20 0 JJADRO CC(C)(C)[C@]1(CN2CCCN(C(=O)c3cccc(F)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001462015407 1067981307 /nfs/dbraw/zinc/98/13/07/1067981307.db2.gz SOUJIFYEQNLGIM-NDEPHWFRSA-N 1 0 451.630 4.912 20 0 JJADRO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cccn(C(F)F)c1=O ZINC001462038388 1067986572 /nfs/dbraw/zinc/98/65/72/1067986572.db2.gz MQFFAXWAASEEBI-UHFFFAOYSA-N 1 0 451.823 4.765 20 0 JJADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)Cc2ccccc2C(F)(F)F)cnn1C ZINC001462038057 1067986707 /nfs/dbraw/zinc/98/67/07/1067986707.db2.gz BLNYTLUDHZXIFE-QGZVFWFLSA-N 1 0 454.537 4.563 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)Cc1ccccc1C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC001462042106 1067987901 /nfs/dbraw/zinc/98/79/01/1067987901.db2.gz LEVOSUQNQPUWHO-HXUWFJFHSA-N 1 0 451.394 4.910 20 0 JJADRO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001462055215 1067992009 /nfs/dbraw/zinc/99/20/09/1067992009.db2.gz QPAWWGVZEJZTIA-GOSISDBHSA-N 1 0 457.562 4.562 20 0 JJADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)nc12 ZINC001462066192 1067995260 /nfs/dbraw/zinc/99/52/60/1067995260.db2.gz SHBCJOJXMFWCJG-CVEARBPZSA-N 1 0 451.409 4.530 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@@H](CCO)c3ccccc3Br)C2)CC1 ZINC001462084067 1067998123 /nfs/dbraw/zinc/99/81/23/1067998123.db2.gz KHEXHKDWJCIKFY-IBGZPJMESA-N 1 0 453.421 4.642 20 0 JJADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462099021 1068001990 /nfs/dbraw/zinc/00/19/90/1068001990.db2.gz YHRSUWAQZOMPBD-KRWDZBQOSA-N 1 0 453.371 4.719 20 0 JJADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](C(=O)OCc2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001462108787 1068005433 /nfs/dbraw/zinc/00/54/33/1068005433.db2.gz AVSSLUWOBWYMCI-AGILITTLSA-N 1 0 452.595 4.891 20 0 JJADRO C[C@@H]1CC[C@H]([NH2+]C[C@H](C(=O)OCc2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC001462108851 1068005912 /nfs/dbraw/zinc/00/59/12/1068005912.db2.gz AVSSLUWOBWYMCI-QDSKXPNFSA-N 1 0 452.595 4.891 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C)OCc2ccc(C)cc2)cc1 ZINC001462113193 1068006907 /nfs/dbraw/zinc/00/69/07/1068006907.db2.gz WVJMGKYRLFWYHH-KKVCJECGSA-N 1 0 458.602 4.693 20 0 JJADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001462121869 1068009299 /nfs/dbraw/zinc/00/92/99/1068009299.db2.gz QHWCDVRBVOIQPH-XCLFUZPHSA-N 1 0 455.318 4.578 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001462121615 1068009555 /nfs/dbraw/zinc/00/95/55/1068009555.db2.gz KSIANXOXUNLRCF-ZBFHGGJFSA-N 1 0 451.792 4.609 20 0 JJADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001462124716 1068010505 /nfs/dbraw/zinc/01/05/05/1068010505.db2.gz PNPWRJFWRFJLHT-PXNSSMCTSA-N 1 0 453.583 4.668 20 0 JJADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001462124729 1068010669 /nfs/dbraw/zinc/01/06/69/1068010669.db2.gz PNPWRJFWRFJLHT-YLJYHZDGSA-N 1 0 453.583 4.668 20 0 JJADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC001462143501 1068014127 /nfs/dbraw/zinc/01/41/27/1068014127.db2.gz BMPYXQRCYACNGJ-HWPZZCPQSA-N 1 0 457.727 4.691 20 0 JJADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC001462143508 1068014326 /nfs/dbraw/zinc/01/43/26/1068014326.db2.gz BMPYXQRCYACNGJ-MGPLVRAMSA-N 1 0 457.727 4.691 20 0 JJADRO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH2+]C2CCC(c3ccccc3)CC2)C(F)(F)F)CC1 ZINC001462144950 1068014600 /nfs/dbraw/zinc/01/46/00/1068014600.db2.gz FPFQIDVCCGGOKA-CBNMVNINSA-N 1 0 455.565 4.786 20 0 JJADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462153817 1068017650 /nfs/dbraw/zinc/01/76/50/1068017650.db2.gz DJJOTCSNXYCLIE-SGTLLEGYSA-N 1 0 458.183 4.918 20 0 JJADRO CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CCC1 ZINC001546129706 1068018312 /nfs/dbraw/zinc/01/83/12/1068018312.db2.gz PQBJYIXXGZMUQZ-KRWDZBQOSA-N 1 0 494.453 4.584 20 0 JJADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462159435 1068019170 /nfs/dbraw/zinc/01/91/70/1068019170.db2.gz WVVOKSWDPWUQEE-KUHUBIRLSA-N 1 0 453.327 4.767 20 0 JJADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)cc1Cl ZINC001462162269 1068019567 /nfs/dbraw/zinc/01/95/67/1068019567.db2.gz JJJJMDHLSTYRSH-MAUKXSAKSA-N 1 0 450.808 4.997 20 0 JJADRO Brc1cccc(N2CC[C@@H]([NH2+][C@@H]3CCc4cc(Br)ccc4C3)C2)c1 ZINC001462165633 1068020241 /nfs/dbraw/zinc/02/02/41/1068020241.db2.gz XFQHWTGTDDUPIU-RTBURBONSA-N 1 0 450.218 4.937 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC[NH2+][C@@H]2CSc3ccc(Br)cc32)CCOCC1 ZINC001462168798 1068020938 /nfs/dbraw/zinc/02/09/38/1068020938.db2.gz HRSNGUXFOJMJTC-MRXNPFEDSA-N 1 0 457.434 4.650 20 0 JJADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462173145 1068022067 /nfs/dbraw/zinc/02/20/67/1068022067.db2.gz AHMFHWMESXDKGO-MRXNPFEDSA-N 1 0 457.334 4.550 20 0 JJADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001462183924 1068024290 /nfs/dbraw/zinc/02/42/90/1068024290.db2.gz NYRSFXMSJVTZAH-VKJFTORMSA-N 1 0 454.409 4.544 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001462187677 1068025273 /nfs/dbraw/zinc/02/52/73/1068025273.db2.gz AZWVNNKNZKIOCQ-UHFFFAOYSA-N 1 0 459.581 4.822 20 0 JJADRO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)CCc2ccc(I)cc2)cc1O ZINC001462189071 1068025314 /nfs/dbraw/zinc/02/53/14/1068025314.db2.gz HWRFOYQQFZLYHD-HOTGVXAUSA-N 1 0 453.364 4.937 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001462226482 1068032803 /nfs/dbraw/zinc/03/28/03/1068032803.db2.gz XVPKPIYBOWXUSL-JMPUJIDWSA-N 1 0 451.652 4.646 20 0 JJADRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC001462237447 1068035216 /nfs/dbraw/zinc/03/52/16/1068035216.db2.gz ZORZHJAEISDKAC-BTYIYWSLSA-N 1 0 456.384 4.740 20 0 JJADRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC001462237483 1068035296 /nfs/dbraw/zinc/03/52/96/1068035296.db2.gz ZORZHJAEISDKAC-YCRPNKLZSA-N 1 0 456.384 4.740 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)(c2ccccc2)C1 ZINC001462239808 1068035881 /nfs/dbraw/zinc/03/58/81/1068035881.db2.gz BUYHEMOAKBADRM-MYIHVTGJSA-N 1 0 455.643 4.525 20 0 JJADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)cc1OC ZINC001462245844 1068037108 /nfs/dbraw/zinc/03/71/08/1068037108.db2.gz FVHDRTWIUMKXHI-BPQIPLTHSA-N 1 0 450.417 4.708 20 0 JJADRO CCSc1ccccc1C[C@@H](C)[NH2+]CC1(N2CCN(c3ccccc3)CC2)CCOCC1 ZINC001462247103 1068037441 /nfs/dbraw/zinc/03/74/41/1068037441.db2.gz HUCROVAHKDMFIW-HSZRJFAPSA-N 1 0 453.696 4.691 20 0 JJADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)c1ccc(N2CCOC2=O)cc1 ZINC001462260956 1068040783 /nfs/dbraw/zinc/04/07/83/1068040783.db2.gz AULKQURSEFBFJW-QGZVFWFLSA-N 1 0 458.400 4.721 20 0 JJADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)c1ccc(N2CCOC2=O)cc1 ZINC001462260950 1068040808 /nfs/dbraw/zinc/04/08/08/1068040808.db2.gz AULKQURSEFBFJW-KRWDZBQOSA-N 1 0 458.400 4.721 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC001462278356 1068042640 /nfs/dbraw/zinc/04/26/40/1068042640.db2.gz LBERRDKLTGOWDN-ZJSXRUAMSA-N 1 0 456.558 4.566 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1cccc(I)c1)CC2 ZINC001462279909 1068042793 /nfs/dbraw/zinc/04/27/93/1068042793.db2.gz DIFCDTBABPCUKC-UHFFFAOYSA-N 1 0 456.368 4.514 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC001462284230 1068043587 /nfs/dbraw/zinc/04/35/87/1068043587.db2.gz QAPCKAZCGQHMMP-DEOSSOPVSA-N 1 0 454.412 4.760 20 0 JJADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC001462282922 1068043654 /nfs/dbraw/zinc/04/36/54/1068043654.db2.gz IIPXLBDAJHSSSU-IMJJTQAJSA-N 1 0 455.304 4.822 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 ZINC001462294483 1068046012 /nfs/dbraw/zinc/04/60/12/1068046012.db2.gz AEYYYTPDUWKQEK-KRWDZBQOSA-N 1 0 454.493 4.721 20 0 JJADRO Cc1cc(Cl)ccc1N(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCO[C@@H]1C ZINC001462297486 1068046563 /nfs/dbraw/zinc/04/65/63/1068046563.db2.gz OROQWAJVMUIWAH-BWKNWUBXSA-N 1 0 456.030 4.761 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OCC(F)F)CC1 ZINC001462310549 1068048831 /nfs/dbraw/zinc/04/88/31/1068048831.db2.gz BZTVOOMIYRWZST-SIKLNZKXSA-N 1 0 454.558 4.615 20 0 JJADRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001462337842 1068054192 /nfs/dbraw/zinc/05/41/92/1068054192.db2.gz WWENPQGORJDCNQ-QGZVFWFLSA-N 1 0 455.401 4.907 20 0 JJADRO COc1ccc(OC)c2sc(NC(=O)c3ccccc3OCC[N@@H+]3CCCC[C@H]3C)nc21 ZINC001462359990 1068059327 /nfs/dbraw/zinc/05/93/27/1068059327.db2.gz GQLUGACHSUQXID-MRXNPFEDSA-N 1 0 455.580 4.819 20 0 JJADRO COc1cc(NC(=O)C[NH2+]Cc2ccc(-c3ccccc3Br)cc2)cc(OC)c1 ZINC001462360847 1068059576 /nfs/dbraw/zinc/05/95/76/1068059576.db2.gz JBXGWNCXGVIVKP-UHFFFAOYSA-N 1 0 455.352 4.862 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001462363792 1068060513 /nfs/dbraw/zinc/06/05/13/1068060513.db2.gz CXMZEXFXUOSNCO-QSUVIHHLSA-N 1 0 451.652 4.980 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)C1(C)C ZINC001462363484 1068060570 /nfs/dbraw/zinc/06/05/70/1068060570.db2.gz ASDPWTXCDZMXJH-SWBPCFCJSA-N 1 0 451.652 4.836 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001462380194 1068063533 /nfs/dbraw/zinc/06/35/33/1068063533.db2.gz GAVHWWDWTMXSKX-HSALFYBXSA-N 1 0 466.569 4.688 20 0 JJADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c(OC)c1 ZINC001462398368 1068065582 /nfs/dbraw/zinc/06/55/82/1068065582.db2.gz AMOAKTSIHLGOAO-SAWYMBPVSA-N 1 0 454.567 4.581 20 0 JJADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400339 1068066125 /nfs/dbraw/zinc/06/61/25/1068066125.db2.gz XTLPIYRMDYNXDU-PGRDOPGGSA-N 1 0 459.631 4.857 20 0 JJADRO CNC(=O)[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406070 1068067198 /nfs/dbraw/zinc/06/71/98/1068067198.db2.gz AWQQHHGOLDFTPF-BGWNEDDSSA-N 1 0 459.556 4.568 20 0 JJADRO C[NH+](C)CCN1CCN(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2Cl)CC1=O ZINC001462409491 1068067516 /nfs/dbraw/zinc/06/75/16/1068067516.db2.gz JKOXAJDSAIQLTE-UHFFFAOYSA-N 1 0 456.801 4.645 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)C1 ZINC001462409581 1068067567 /nfs/dbraw/zinc/06/75/67/1068067567.db2.gz VKDUKHSYTRQZGT-DFQSSKMNSA-N 1 0 453.421 4.733 20 0 JJADRO COC(=O)c1ccc(COc2ccc(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)cc2OC)o1 ZINC001462415181 1068070033 /nfs/dbraw/zinc/07/00/33/1068070033.db2.gz OPMXBAXKBSPEDD-XMMPIXPASA-N 1 0 453.560 4.944 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CC2Cc3ccccc3C2)cc1F ZINC001462428278 1068072537 /nfs/dbraw/zinc/07/25/37/1068072537.db2.gz QEIGDUHJAAAYHV-UPVQGACJSA-N 1 0 454.586 4.932 20 0 JJADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]CC2(Cc3ccc(Br)cc3)CC2)COC1(C)C ZINC001462442944 1068075297 /nfs/dbraw/zinc/07/52/97/1068075297.db2.gz PXAHFJPAMMRCBQ-GOSISDBHSA-N 1 0 453.421 4.733 20 0 JJADRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC2(Cc3ccc(Br)cc3)CC2)c1 ZINC001462446171 1068075671 /nfs/dbraw/zinc/07/56/71/1068075671.db2.gz VPKDYPJHHAWXAK-INIZCTEOSA-N 1 0 459.384 4.565 20 0 JJADRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462460301 1068079266 /nfs/dbraw/zinc/07/92/66/1068079266.db2.gz RUAQGDWXSOCCMP-YWZLYKJASA-N 1 0 453.371 4.972 20 0 JJADRO CC(C)(C)OC(=O)NCc1cccc(C[NH+]2CCC(NC(=O)OCc3ccccc3)CC2)c1 ZINC001462516424 1068089504 /nfs/dbraw/zinc/08/95/04/1068089504.db2.gz QRXIBPSFFUCDIF-UHFFFAOYSA-N 1 0 453.583 4.602 20 0 JJADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC001462517517 1068089679 /nfs/dbraw/zinc/08/96/79/1068089679.db2.gz SZSNQCIPLSJJMF-QMMLZNLJSA-N 1 0 470.635 4.961 20 0 JJADRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1 ZINC001462524032 1068091260 /nfs/dbraw/zinc/09/12/60/1068091260.db2.gz RISJHILSOBSSNW-HSZRJFAPSA-N 1 0 453.627 4.510 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)Cc3c(F)cc(Br)cc3F)cc2)C[C@H](C)O1 ZINC001462528396 1068092311 /nfs/dbraw/zinc/09/23/11/1068092311.db2.gz OEDMFMWEGOFFQZ-IYBDPMFKSA-N 1 0 453.371 4.969 20 0 JJADRO CCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC001462549337 1068096653 /nfs/dbraw/zinc/09/66/53/1068096653.db2.gz ZYCCKMIYIVIQEB-UHFFFAOYSA-N 1 0 455.599 4.939 20 0 JJADRO Cn1ncc(CNC(=O)OC(C)(C)C)c1C[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC001462571932 1068100863 /nfs/dbraw/zinc/10/08/63/1068100863.db2.gz CIDVPRKKBYESCE-UHFFFAOYSA-N 1 0 459.388 4.650 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC001462573655 1068100936 /nfs/dbraw/zinc/10/09/36/1068100936.db2.gz JYJBLYDVYMEJHZ-PGRDOPGGSA-N 1 0 450.505 4.784 20 0 JJADRO CC(C)(C)OC(=O)NCC[N@H+](Cc1cccc(Cl)c1)CC(C)(C)NC(=O)OC(C)(C)C ZINC001462590384 1068106490 /nfs/dbraw/zinc/10/64/90/1068106490.db2.gz ZCOCLFJAIKYOBS-UHFFFAOYSA-N 1 0 456.027 4.970 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 ZINC001462595450 1068107605 /nfs/dbraw/zinc/10/76/05/1068107605.db2.gz NFAZKSWZGOKTRI-ZDFPQIBNSA-N 1 0 459.631 4.625 20 0 JJADRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)C1 ZINC001462592633 1068107650 /nfs/dbraw/zinc/10/76/50/1068107650.db2.gz NDWHCLPDCLAOGV-XGHQBKJUSA-N 1 0 450.542 4.810 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@@H]2C1 ZINC001462623270 1068114998 /nfs/dbraw/zinc/11/49/98/1068114998.db2.gz LKYWWUXHLSBVFI-WOJBJXKFSA-N 1 0 464.532 4.639 20 0 JJADRO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC001462634857 1068119381 /nfs/dbraw/zinc/11/93/81/1068119381.db2.gz TXNAHHRZHWUKIW-QGZVFWFLSA-N 1 0 454.368 4.857 20 0 JJADRO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cc1 ZINC001462639244 1068120880 /nfs/dbraw/zinc/12/08/80/1068120880.db2.gz SWWNZBCMIRBKOF-KKSFZXQISA-N 1 0 458.400 4.663 20 0 JJADRO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 ZINC001462639223 1068120890 /nfs/dbraw/zinc/12/08/90/1068120890.db2.gz SWWNZBCMIRBKOF-HRAATJIYSA-N 1 0 458.400 4.663 20 0 JJADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC001462642952 1068122581 /nfs/dbraw/zinc/12/25/81/1068122581.db2.gz HFBRJZLPCQXBNZ-SWIMNWDESA-N 1 0 456.549 4.637 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H](OCC2CCCC2)c2ccccc2)CCOCC1 ZINC001462646935 1068123095 /nfs/dbraw/zinc/12/30/95/1068123095.db2.gz ZQEDJROSCKACLV-SANMLTNESA-N 1 0 450.623 4.732 20 0 JJADRO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)CC1 ZINC001462657161 1068125926 /nfs/dbraw/zinc/12/59/26/1068125926.db2.gz XOQWAMDQECDRFD-HSZRJFAPSA-N 1 0 453.631 4.742 20 0 JJADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C1 ZINC001462671106 1068127932 /nfs/dbraw/zinc/12/79/32/1068127932.db2.gz DUXSNRJYDQDNTN-HSZRJFAPSA-N 1 0 454.611 4.864 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC001462675600 1068128411 /nfs/dbraw/zinc/12/84/11/1068128411.db2.gz KPAQAOVUNISWPN-OAHLLOKOSA-N 1 0 454.402 4.701 20 0 JJADRO CCOC(=O)c1ccc(-c2ccc(CN3CCO[C@H](c4ccc(OC)c(OC)c4)C3)o2)cc1 ZINC001462681904 1068130600 /nfs/dbraw/zinc/13/06/00/1068130600.db2.gz ZPSGZDFSKRQTHK-VWLOTQADSA-N 1 0 451.519 4.714 20 0 JJADRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(Br)c1 ZINC001462704794 1068136948 /nfs/dbraw/zinc/13/69/48/1068136948.db2.gz AHVDKLJIQOXFPM-GOSISDBHSA-N 1 0 457.821 4.526 20 0 JJADRO COCc1c(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)cnn1-c1ccccc1 ZINC001462728769 1068145978 /nfs/dbraw/zinc/14/59/78/1068145978.db2.gz KQDAPNVAIKMBLU-UHFFFAOYSA-N 1 0 458.484 4.886 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)COCCc2ccc(Br)cc2)cc1C(F)(F)F ZINC001462730064 1068146427 /nfs/dbraw/zinc/14/64/27/1068146427.db2.gz PMLNPZVOWFTSRV-UHFFFAOYSA-N 1 0 459.306 4.727 20 0 JJADRO Cc1ccc(C2(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)CCCCC2)c(Br)c1 ZINC001462749617 1068154235 /nfs/dbraw/zinc/15/42/35/1068154235.db2.gz QFWDDFFPAKRQJD-WOJBJXKFSA-N 1 0 451.474 4.655 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2c3ncsc3ccc2Cl)cc1 ZINC001462828603 1068180868 /nfs/dbraw/zinc/18/08/68/1068180868.db2.gz AYEWPAALXJDAIF-OAHLLOKOSA-N 1 0 450.029 4.803 20 0 JJADRO Cc1sc(Br)cc1S(=O)(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001462832018 1068182592 /nfs/dbraw/zinc/18/25/92/1068182592.db2.gz LCOUSAGSLVPHCT-AWEZNQCLSA-N 1 0 457.459 4.672 20 0 JJADRO CCOc1ccc(CCCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OCC ZINC001462837353 1068185064 /nfs/dbraw/zinc/18/50/64/1068185064.db2.gz SKMIPWGZNJQSEL-RPBOFIJWSA-N 1 0 450.623 4.787 20 0 JJADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc2c1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC001462922772 1068215535 /nfs/dbraw/zinc/21/55/35/1068215535.db2.gz IYLJPMLFGDHNGN-OAQYLSRUSA-N 1 0 454.558 4.946 20 0 JJADRO Cc1cc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc(C)c1OCc1ccccc1 ZINC001462930122 1068218060 /nfs/dbraw/zinc/21/80/60/1068218060.db2.gz ONWOXMSIYTZNTK-UHFFFAOYSA-N 1 0 456.652 4.769 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1c(C)sc(C)c1Br ZINC001462947899 1068225061 /nfs/dbraw/zinc/22/50/61/1068225061.db2.gz UZDOBBHZNLHNKN-UHFFFAOYSA-N 1 0 459.475 4.660 20 0 JJADRO Cc1ccc([C@H](CNS(=O)(=O)c2c(Cl)cccc2Br)[NH+]2CCCC2)cc1 ZINC001462952982 1068227536 /nfs/dbraw/zinc/22/75/36/1068227536.db2.gz HBTMLJCUROAJIF-SFHVURJKSA-N 1 0 457.821 4.526 20 0 JJADRO Cc1csc([C@H](C)NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC001463002505 1068245672 /nfs/dbraw/zinc/24/56/72/1068245672.db2.gz GTTIYPPFTXRLTL-BULFRSBZSA-N 1 0 476.067 4.754 20 0 JJADRO COc1ccc(Oc2ccc(S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)cc2)cc1 ZINC001463017403 1068253296 /nfs/dbraw/zinc/25/32/96/1068253296.db2.gz MBKVJSWDMKMTDS-LJQANCHMSA-N 1 0 454.592 4.895 20 0 JJADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC001463023098 1068255205 /nfs/dbraw/zinc/25/52/05/1068255205.db2.gz JGGFODWBAIRRMG-UHFFFAOYSA-N 1 0 459.837 4.516 20 0 JJADRO C[C@H]([NH2+]C1(CNS(=O)(=O)Cc2ccsc2Br)CCCC1)c1ccccc1 ZINC001463035637 1068258888 /nfs/dbraw/zinc/25/88/88/1068258888.db2.gz MWMLXPKSHAJGAQ-HNNXBMFYSA-N 1 0 457.459 4.594 20 0 JJADRO CCN(C)c1ccccc1CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463046728 1068264498 /nfs/dbraw/zinc/26/44/98/1068264498.db2.gz GXYWOGCNWSRYDF-XTEPFMGCSA-N 1 0 477.674 4.539 20 0 JJADRO CCS[C@H]1CCCCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463062844 1068271713 /nfs/dbraw/zinc/27/17/13/1068271713.db2.gz FZUDSKXRRXOBLK-KKUQBAQOSA-N 1 0 472.720 4.900 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1)CC1CC1 ZINC001546136481 1068284282 /nfs/dbraw/zinc/28/42/82/1068284282.db2.gz HBRTXRAJUOFELV-UHFFFAOYSA-N 1 0 457.840 4.842 20 0 JJADRO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001463136367 1068299136 /nfs/dbraw/zinc/29/91/36/1068299136.db2.gz PEOUKTVQEDCPKP-MQNAVGNWSA-N 1 0 474.026 4.593 20 0 JJADRO C[C@@]1(NC(=O)c2ccc(OCC(F)(F)F)cn2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463145899 1068301935 /nfs/dbraw/zinc/30/19/35/1068301935.db2.gz FNGOFSTWDDQZIL-WIOPSUGQSA-N 1 0 469.507 4.811 20 0 JJADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC001463152155 1068304576 /nfs/dbraw/zinc/30/45/76/1068304576.db2.gz BPFAXPNNIZHSIA-PXAZEXFGSA-N 1 0 452.951 4.782 20 0 JJADRO CO[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1Br ZINC001463176786 1068310125 /nfs/dbraw/zinc/31/01/25/1068310125.db2.gz PTKMRWXLNIFJBI-ICDZXHCJSA-N 1 0 479.418 4.921 20 0 JJADRO CCCOc1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C(C)(C)C ZINC001463186040 1068313438 /nfs/dbraw/zinc/31/34/38/1068313438.db2.gz KQLSTAVKJIELPT-JOCHJYFZSA-N 1 0 458.668 4.916 20 0 JJADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CC[N@@H+]1Cc1ccccc1 ZINC001463231548 1068328926 /nfs/dbraw/zinc/32/89/26/1068328926.db2.gz OFNMIXSYIZJZHT-HKUYNNGSSA-N 1 0 457.665 4.925 20 0 JJADRO O=S(=O)(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc2ncsc2c1 ZINC001463230033 1068328975 /nfs/dbraw/zinc/32/89/75/1068328975.db2.gz HGGWZDYYMMMPIK-UHFFFAOYSA-N 1 0 451.617 4.667 20 0 JJADRO CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001463277041 1068341486 /nfs/dbraw/zinc/34/14/86/1068341486.db2.gz DKGQKMMJAWPFMH-ISKFKSNPSA-N 1 0 454.636 4.591 20 0 JJADRO CCCN(C(=O)c1ccc(-c2ccccc2OC)[nH]c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001463363516 1068372632 /nfs/dbraw/zinc/37/26/32/1068372632.db2.gz HDBSRJITXJVZEG-UHFFFAOYSA-N 1 0 459.590 4.980 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1 ZINC001463423610 1068392253 /nfs/dbraw/zinc/39/22/53/1068392253.db2.gz JAFBZUAKBXSKNP-RUZDIDTESA-N 1 0 455.558 4.690 20 0 JJADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)c(Cl)c3)c3cnccc32)CC1 ZINC001463430601 1068394804 /nfs/dbraw/zinc/39/48/04/1068394804.db2.gz JTLUVGNXKPKDPZ-UHFFFAOYSA-N 1 0 459.775 4.655 20 0 JJADRO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c2ccncc12 ZINC001463430552 1068395004 /nfs/dbraw/zinc/39/50/04/1068395004.db2.gz JGNKGYMWNTUKIW-DEOSSOPVSA-N 1 0 452.986 4.682 20 0 JJADRO COc1ccc([C@H](CNC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC001463562009 1068444158 /nfs/dbraw/zinc/44/41/58/1068444158.db2.gz GQFBLHCNMMFALK-VGSWGCGISA-N 1 0 450.501 4.726 20 0 JJADRO COc1ccc([C@H](CNC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)[NH+]2CCCC2)cc1 ZINC001463567059 1068448252 /nfs/dbraw/zinc/44/82/52/1068448252.db2.gz QQKYZDFXHSQWQM-QHCPKHFHSA-N 1 0 453.583 4.538 20 0 JJADRO COc1ccc([C@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)[NH+]2CCCC2)cc1 ZINC001463570148 1068450486 /nfs/dbraw/zinc/45/04/86/1068450486.db2.gz ZAEVQGAMZSHGEX-NRFANRHFSA-N 1 0 450.476 4.838 20 0 JJADRO CC(C)c1ccc(N2CC[C@@H](C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)C2=O)cc1 ZINC001463573388 1068451720 /nfs/dbraw/zinc/45/17/20/1068451720.db2.gz OAFCEYJKQBEQPN-GOTSBHOMSA-N 1 0 453.652 4.814 20 0 JJADRO COc1ccc([C@@H](CNC(=O)[C@H]2CCCCCN2C(=O)OC(C)(C)C)[NH+]2CCCCC2)cc1 ZINC001463663090 1068487230 /nfs/dbraw/zinc/48/72/30/1068487230.db2.gz XRFLJCUWLDEFOA-DHIUTWEWSA-N 1 0 459.631 4.518 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)CC(C)(C)CC(=O)c3ccc(OC)cc3)c(C)c2)CC1 ZINC001463707869 1068501088 /nfs/dbraw/zinc/50/10/88/1068501088.db2.gz PBOZNBIHTUKDMM-UHFFFAOYSA-N 1 0 451.611 4.773 20 0 JJADRO CCOc1ccc(S(=O)(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC001463743895 1068510236 /nfs/dbraw/zinc/51/02/36/1068510236.db2.gz COZZPZCPHJQPIL-VWLOTQADSA-N 1 0 456.652 4.705 20 0 JJADRO O=C(N[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1)OCc1ccccc1 ZINC001463759236 1068514759 /nfs/dbraw/zinc/51/47/59/1068514759.db2.gz BZGADPMHSIDWAB-CLJLJLNGSA-N 1 0 457.574 4.607 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2Br)[NH+](C)C)cc1 ZINC001463760391 1068515474 /nfs/dbraw/zinc/51/54/74/1068515474.db2.gz HBJIRHMSSDBBLP-OAQYLSRUSA-N 1 0 455.396 4.963 20 0 JJADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1Br ZINC001463761326 1068515875 /nfs/dbraw/zinc/51/58/75/1068515875.db2.gz HKJUDOFBDAGDTK-SFHVURJKSA-N 1 0 457.290 4.915 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)Cc1ccccc1 ZINC001463770388 1068519294 /nfs/dbraw/zinc/51/92/94/1068519294.db2.gz MMDJDWKUZKSSSL-XZOQPEGZSA-N 1 0 453.627 4.568 20 0 JJADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001463772663 1068519770 /nfs/dbraw/zinc/51/97/70/1068519770.db2.gz QJRQAXAEBYOVQM-UHFFFAOYSA-N 1 0 454.368 4.619 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001463773397 1068520366 /nfs/dbraw/zinc/52/03/66/1068520366.db2.gz VCVGJQOOESTVNJ-BJKOFHAPSA-N 1 0 455.643 4.572 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)C1 ZINC001463773258 1068520494 /nfs/dbraw/zinc/52/04/94/1068520494.db2.gz BGVIAZAESCSQQY-IBGZPJMESA-N 1 0 451.394 4.659 20 0 JJADRO C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463786057 1068523584 /nfs/dbraw/zinc/52/35/84/1068523584.db2.gz UXFFRBOEHZKWDK-JTHBVZDNSA-N 1 0 457.659 4.962 20 0 JJADRO Cc1cc([C@@H](C)NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)ccc1F ZINC001463789344 1068524697 /nfs/dbraw/zinc/52/46/97/1068524697.db2.gz CELLPCJMGHJUFE-YZXAJQSBSA-N 1 0 470.585 4.922 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001463812796 1068533881 /nfs/dbraw/zinc/53/38/81/1068533881.db2.gz REDIUZSNXWMKBC-TUACAJSNSA-N 1 0 455.643 4.714 20 0 JJADRO CC(C)(C)n1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(-c2ccc(F)cc2F)n1 ZINC001463829070 1068539984 /nfs/dbraw/zinc/53/99/84/1068539984.db2.gz VBNQHXKQWYXZMC-UHFFFAOYSA-N 1 0 452.549 4.931 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1(C)C ZINC001463838715 1068542873 /nfs/dbraw/zinc/54/28/73/1068542873.db2.gz RNSZEKHLFJYINS-YZGWKJHDSA-N 1 0 450.023 4.533 20 0 JJADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001463839131 1068543728 /nfs/dbraw/zinc/54/37/28/1068543728.db2.gz MIAZISIJQBVYGF-AJSBUHFISA-N 1 0 451.577 4.940 20 0 JJADRO O=C(CC[C@@H]1CCc2ccccc21)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463841841 1068544781 /nfs/dbraw/zinc/54/47/81/1068544781.db2.gz VVHFNRNDGTXKPM-NRFANRHFSA-N 1 0 459.556 4.844 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001463898443 1068559378 /nfs/dbraw/zinc/55/93/78/1068559378.db2.gz XTIVQGNYNRGDMZ-DEOSSOPVSA-N 1 0 451.611 4.793 20 0 JJADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3(CNC(=O)OC(C)(C)C)CCCCC3)CC2)cc1 ZINC001463909783 1068562263 /nfs/dbraw/zinc/56/22/63/1068562263.db2.gz XXTOIGFDOKXCMC-UHFFFAOYSA-N 1 0 457.659 4.895 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](OC)c1ccccc1Br)c1ccccc1Cl ZINC001463912139 1068562843 /nfs/dbraw/zinc/56/28/43/1068562843.db2.gz HETXAAKSIPTLCI-PMACEKPBSA-N 1 0 453.808 4.989 20 0 JJADRO Cc1cccc(CNC(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001463968279 1068577876 /nfs/dbraw/zinc/57/78/76/1068577876.db2.gz LXTMGCLLOMLLSQ-UHFFFAOYSA-N 1 0 451.611 4.561 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[C@H](C4CC4)N3C(=O)OC(C)(C)C)cc2)CC1 ZINC001464016328 1068590065 /nfs/dbraw/zinc/59/00/65/1068590065.db2.gz AUTLADKXYFWELC-RPWUZVMVSA-N 1 0 455.643 4.713 20 0 JJADRO CC[NH+](CC)Cc1cccc(NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)c1 ZINC001464042930 1068597996 /nfs/dbraw/zinc/59/79/96/1068597996.db2.gz DXEJAGYHQBGDQQ-NRFANRHFSA-N 1 0 451.514 4.917 20 0 JJADRO Cc1sc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1-c1ccc(F)cc1 ZINC001464100675 1068615404 /nfs/dbraw/zinc/61/54/04/1068615404.db2.gz VQIJJEWNANEUKY-XMMPIXPASA-N 1 0 451.611 4.971 20 0 JJADRO COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001464105153 1068617405 /nfs/dbraw/zinc/61/74/05/1068617405.db2.gz FYIIYLFIZZUTIW-QHCPKHFHSA-N 1 0 453.583 4.886 20 0 JJADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Cc3ccc(OCc4ccccc4)cc3)cc2)C[C@H](C)O1 ZINC001464120991 1068621783 /nfs/dbraw/zinc/62/17/83/1068621783.db2.gz MAIWLCBARXJRFS-GOTSBHOMSA-N 1 0 458.602 4.734 20 0 JJADRO Cc1ccc(CCC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(Br)c1 ZINC001464121668 1068622420 /nfs/dbraw/zinc/62/24/20/1068622420.db2.gz MVUSWLOBCBEGQO-RTBURBONSA-N 1 0 459.428 4.616 20 0 JJADRO CC(C)COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001464124299 1068623635 /nfs/dbraw/zinc/62/36/35/1068623635.db2.gz IBEGJOMXOBCVHQ-UHFFFAOYSA-N 1 0 457.618 4.974 20 0 JJADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001464132509 1068628432 /nfs/dbraw/zinc/62/84/32/1068628432.db2.gz KBZDRULUJVSYLA-UHFFFAOYSA-N 1 0 455.571 4.920 20 0 JJADRO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1C(F)(F)F ZINC001464163100 1068639092 /nfs/dbraw/zinc/63/90/92/1068639092.db2.gz IKLAXKANTKDDHL-IBGZPJMESA-N 1 0 452.542 4.594 20 0 JJADRO COc1ccc(C2(C(=O)NCc3ccccc3C[NH+]3C[C@@H](C)C[C@H](C)C3)CCC2)cc1OC ZINC001464192081 1068650946 /nfs/dbraw/zinc/65/09/46/1068650946.db2.gz GZGMPAHFTFINOH-SFTDATJTSA-N 1 0 450.623 4.920 20 0 JJADRO C[C@@H](CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)[N@@H+]1CCCC[C@H]1C ZINC001464201022 1068654353 /nfs/dbraw/zinc/65/43/53/1068654353.db2.gz QVYUPXOLIZGDEF-SJORKVTESA-N 1 0 458.400 4.694 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cnn3cccc(Br)c23)C1 ZINC001464205403 1068656258 /nfs/dbraw/zinc/65/62/58/1068656258.db2.gz TWKYAUAZGQPXMQ-CALCHBBNSA-N 1 0 455.400 4.505 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccnc(Cl)c2Br)C1 ZINC001464206138 1068656874 /nfs/dbraw/zinc/65/68/74/1068656874.db2.gz VZXPQNAVYGLGCA-HUUCEWRRSA-N 1 0 450.808 4.905 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Cc3csc(CCC(F)(F)F)n3)cc2)C1 ZINC001464210382 1068659280 /nfs/dbraw/zinc/65/92/80/1068659280.db2.gz KAXXCBLWGXWXFL-CALCHBBNSA-N 1 0 453.574 4.975 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3(OCc4ccccc4)CCOCC3)cc2)C1 ZINC001464213981 1068660477 /nfs/dbraw/zinc/66/04/77/1068660477.db2.gz VBOWNZSEZDDJCO-GOTSBHOMSA-N 1 0 450.623 4.547 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)C1 ZINC001464220212 1068662409 /nfs/dbraw/zinc/66/24/09/1068662409.db2.gz QZANVYYNHQTDLO-HZPDHXFCSA-N 1 0 456.940 4.701 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001464220059 1068662497 /nfs/dbraw/zinc/66/24/97/1068662497.db2.gz SJDZUGCUISTNSJ-SFTDATJTSA-N 1 0 457.659 4.510 20 0 JJADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464230847 1068666989 /nfs/dbraw/zinc/66/69/89/1068666989.db2.gz KLCAWYBTRIXBCY-IAGOWNOFSA-N 1 0 450.764 4.646 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC001464235716 1068668385 /nfs/dbraw/zinc/66/83/85/1068668385.db2.gz SBSBDEMPMFLFTQ-WUFINQPMSA-N 1 0 478.658 4.840 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC001464263782 1068680632 /nfs/dbraw/zinc/68/06/32/1068680632.db2.gz BKBCOSSZUOEJDH-UHFFFAOYSA-N 1 0 455.599 4.993 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC001464266165 1068682007 /nfs/dbraw/zinc/68/20/07/1068682007.db2.gz GWYFQJGOGLFZBG-UHFFFAOYSA-N 1 0 455.002 4.793 20 0 JJADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001464281089 1068689351 /nfs/dbraw/zinc/68/93/51/1068689351.db2.gz KWNGEBBKMDATRZ-UPVQGACJSA-N 1 0 458.021 4.687 20 0 JJADRO O=S(=O)(CCCc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001464298009 1068696335 /nfs/dbraw/zinc/69/63/35/1068696335.db2.gz SRXWIQPMBGKQGF-QFIPXVFZSA-N 1 0 454.558 4.612 20 0 JJADRO CC(C)COc1cccc(NC(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001464300915 1068697690 /nfs/dbraw/zinc/69/76/90/1068697690.db2.gz QORPQRIIEKCLFL-HSZRJFAPSA-N 1 0 455.599 4.685 20 0 JJADRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(I)c(Cl)cc2Cl)CC1 ZINC001464316315 1068702659 /nfs/dbraw/zinc/70/26/59/1068702659.db2.gz CWBZPZVPCUSFAU-UHFFFAOYSA-N 1 0 455.167 4.591 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001464321451 1068705249 /nfs/dbraw/zinc/70/52/49/1068705249.db2.gz JJDBQLXIJBDLAX-MUUNZHRXSA-N 1 0 458.602 4.778 20 0 JJADRO CCC(CC)C(=O)N1CCC(NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)CC1 ZINC001464322887 1068705815 /nfs/dbraw/zinc/70/58/15/1068705815.db2.gz WDNIKZJKCLUCOB-OAQYLSRUSA-N 1 0 455.565 4.632 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)[NH+]1CCCCC1 ZINC001464326861 1068707452 /nfs/dbraw/zinc/70/74/52/1068707452.db2.gz AZJALZIUSMRFNK-SFHVURJKSA-N 1 0 455.546 4.533 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)[C@H](OC)c1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC001464334850 1068710056 /nfs/dbraw/zinc/71/00/56/1068710056.db2.gz OSIQMCCDVPKTPH-IFMALSPDSA-N 1 0 450.501 4.745 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccco1)[NH+]1CCCCC1 ZINC001464337783 1068711295 /nfs/dbraw/zinc/71/12/95/1068711295.db2.gz SDYAYCRGMHCLGO-LJQANCHMSA-N 1 0 453.564 4.559 20 0 JJADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1c(O)cnc2c(Br)cccc21 ZINC001464362406 1068719547 /nfs/dbraw/zinc/71/95/47/1068719547.db2.gz TZZSRRHCUWYWJI-UHFFFAOYSA-N 1 0 454.368 4.984 20 0 JJADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1csc(-c2cc(Br)ccc2OC)n1 ZINC001464369867 1068721095 /nfs/dbraw/zinc/72/10/95/1068721095.db2.gz FXSQMYPFTKTIGM-AWEZNQCLSA-N 1 0 454.434 4.822 20 0 JJADRO CN1CCN(c2cc[nH+]cc2NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC001464383035 1068726299 /nfs/dbraw/zinc/72/62/99/1068726299.db2.gz IPVQBRFIIKIBGG-UHFFFAOYSA-N 1 0 452.643 4.705 20 0 JJADRO C[C@@H]1CCC[C@@](CNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)([NH+](C)C)C1 ZINC001464394705 1068729827 /nfs/dbraw/zinc/72/98/27/1068729827.db2.gz ASRZWDLYPBVMIC-AHCMPFEKSA-N 1 0 452.639 4.952 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)c2ccccc2)CC1 ZINC001464403287 1068734115 /nfs/dbraw/zinc/73/41/15/1068734115.db2.gz RSSHNVTXVFEEMJ-JOCHJYFZSA-N 1 0 454.521 4.881 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c2ccccc2)CC1 ZINC001464404666 1068734700 /nfs/dbraw/zinc/73/47/00/1068734700.db2.gz WQEWHYQIVRXPII-HHHXNRCGSA-N 1 0 456.586 4.886 20 0 JJADRO CC(C)OCc1ccc(NC(=O)[C@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001464422891 1068740437 /nfs/dbraw/zinc/74/04/37/1068740437.db2.gz YCWAWFWLDQOXJZ-QHCPKHFHSA-N 1 0 455.599 4.575 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2csnc2-c2ccccc2)CCCCC1 ZINC001464444092 1068748118 /nfs/dbraw/zinc/74/81/18/1068748118.db2.gz ZEZPVNVFZLJZRF-UHFFFAOYSA-N 1 0 455.649 4.923 20 0 JJADRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC001464466250 1068756702 /nfs/dbraw/zinc/75/67/02/1068756702.db2.gz SZVUGFJFPOOURV-AIIPKAINSA-N 1 0 454.014 4.502 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001464469572 1068758441 /nfs/dbraw/zinc/75/84/41/1068758441.db2.gz QAMUOSDUPFQRNG-VWPQPMDRSA-N 1 0 451.696 4.970 20 0 JJADRO O=C(c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC001464488280 1068763683 /nfs/dbraw/zinc/76/36/83/1068763683.db2.gz MUUDIQGIJKKPMB-UHFFFAOYSA-N 1 0 454.924 4.694 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2cc(F)ccc2[nH]c1=O ZINC001464491779 1068765180 /nfs/dbraw/zinc/76/51/80/1068765180.db2.gz KSJQEZGGGQUHJX-UHFFFAOYSA-N 1 0 450.341 4.568 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)c1c[nH]c2cc(F)ccc21 ZINC001464494752 1068766145 /nfs/dbraw/zinc/76/61/45/1068766145.db2.gz WAXREXKWAAHLDE-UHFFFAOYSA-N 1 0 450.341 4.777 20 0 JJADRO Cc1ccc(SC2CCCC2)c(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC001464507469 1068768705 /nfs/dbraw/zinc/76/87/05/1068768705.db2.gz QVUSASIQRQNCEZ-UHFFFAOYSA-N 1 0 459.700 4.586 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C\COC1CCOCC1)[NH+](C)C ZINC001464544619 1068777820 /nfs/dbraw/zinc/77/78/20/1068777820.db2.gz OCSWRLBKUOKDLZ-LXHZQTKUSA-N 1 0 457.442 4.660 20 0 JJADRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC001464544346 1068777929 /nfs/dbraw/zinc/77/79/29/1068777929.db2.gz YGCFGVXXHKHRNS-HYBUGGRVSA-N 1 0 451.014 4.972 20 0 JJADRO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001464561283 1068782523 /nfs/dbraw/zinc/78/25/23/1068782523.db2.gz RWQJMUZZYIAIEI-UHFFFAOYSA-N 1 0 458.381 4.504 20 0 JJADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001464564846 1068783735 /nfs/dbraw/zinc/78/37/35/1068783735.db2.gz XSMFTWAFLBPXKJ-LJQANCHMSA-N 1 0 450.446 4.886 20 0 JJADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccoc1COc1ccc(C=O)cc1 ZINC001464571598 1068786139 /nfs/dbraw/zinc/78/61/39/1068786139.db2.gz UWUQGBSNYNFIEQ-UHFFFAOYSA-N 1 0 450.560 4.781 20 0 JJADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)C2)CC1 ZINC001464584044 1068791612 /nfs/dbraw/zinc/79/16/12/1068791612.db2.gz ZVTNOHXOLBZLNN-KRWDZBQOSA-N 1 0 452.496 4.614 20 0 JJADRO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC001464603530 1068796929 /nfs/dbraw/zinc/79/69/29/1068796929.db2.gz DKOYFBIMVDLEJY-UHFFFAOYSA-N 1 0 457.640 4.654 20 0 JJADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)CC1 ZINC001464605985 1068797427 /nfs/dbraw/zinc/79/74/27/1068797427.db2.gz BEPCOLUJHQNOQZ-UHFFFAOYSA-N 1 0 454.011 4.890 20 0 JJADRO C[NH+]1CCC(Nc2ccccc2NC(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC001464656822 1068813660 /nfs/dbraw/zinc/81/36/60/1068813660.db2.gz JDSQCYPBBZFXMU-UHFFFAOYSA-N 1 0 458.400 4.947 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)C1CCCCC1 ZINC001464667858 1068818021 /nfs/dbraw/zinc/81/80/21/1068818021.db2.gz OPXTUHLOKPPYOV-XMMPIXPASA-N 1 0 457.659 4.627 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[NH+]2CCCC2)o1 ZINC001464681583 1068823138 /nfs/dbraw/zinc/82/31/38/1068823138.db2.gz HTGCHPZQSKBFIR-FCHUYYIVSA-N 1 0 453.583 4.723 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2cc(Br)cc(Br)c2)[NH+]2CCCC2)o1 ZINC001464687104 1068825902 /nfs/dbraw/zinc/82/59/02/1068825902.db2.gz YYPSAEGLMQWWNZ-MRXNPFEDSA-N 1 0 456.178 4.680 20 0 JJADRO C[C@@]1(NS(=O)(=O)/C=C/c2ccc(F)cc2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464693052 1068826913 /nfs/dbraw/zinc/82/69/13/1068826913.db2.gz VDMTXEALLDAEER-RTJJFHEVSA-N 1 0 450.579 4.774 20 0 JJADRO CSc1nc(-c2ccco2)nc(C)c1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC001464700363 1068829034 /nfs/dbraw/zinc/82/90/34/1068829034.db2.gz CUYJUTOEBFJNTL-UHFFFAOYSA-N 1 0 450.608 4.929 20 0 JJADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001464724716 1068839315 /nfs/dbraw/zinc/83/93/15/1068839315.db2.gz MFHDPIZEVADVBL-FGZHOGPDSA-N 1 0 451.611 4.508 20 0 JJADRO COc1ccc(C(=O)C2CC[NH+](C[C@H](O)COc3cccc4[nH]c5ccccc5c43)CC2)cc1 ZINC000049034898 563198568 /nfs/dbraw/zinc/19/85/68/563198568.db2.gz NRJOGQSIFAHXIH-NRFANRHFSA-N 1 0 458.558 4.664 20 0 JJADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)n1 ZINC001164388210 718815429 /nfs/dbraw/zinc/81/54/29/718815429.db2.gz NJXDXLXDAXDWGV-JOCHJYFZSA-N 1 0 475.584 4.931 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)n1 ZINC001164387893 718815513 /nfs/dbraw/zinc/81/55/13/718815513.db2.gz JNMXCBVZFRPWEC-FQEVSTJZSA-N 1 0 455.594 4.661 20 0 JJADRO FC(F)(F)[C@@H]1N(C(F)(F)c2cc(-c3cccs3)nnc2Cl)CCC12CC[NH2+]CC2 ZINC001164387325 718815578 /nfs/dbraw/zinc/81/55/78/718815578.db2.gz FRTSVSYGEOATCM-OAHLLOKOSA-N 1 0 452.880 4.914 20 0 JJADRO COc1ccccc1-c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c(Cl)nn1 ZINC001164386826 718815992 /nfs/dbraw/zinc/81/59/92/718815992.db2.gz ASXMWQDCVATPMT-GOSISDBHSA-N 1 0 476.877 4.861 20 0 JJADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164413265 718881384 /nfs/dbraw/zinc/88/13/84/718881384.db2.gz GAAFHBWOPNLNCA-GOSISDBHSA-N 1 0 479.616 4.819 20 0 JJADRO F[C@]1(N2CCCCC23CC[NH2+]CC3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164422198 718911341 /nfs/dbraw/zinc/91/13/41/718911341.db2.gz WQBXUVNFVTZIEH-QHCPKHFHSA-N 1 0 464.416 4.530 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164615170 719009335 /nfs/dbraw/zinc/00/93/35/719009335.db2.gz HGHFBRMETVOWBO-JTSKRJEESA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)CC2)CC1 ZINC001164614920 719023485 /nfs/dbraw/zinc/02/34/85/719023485.db2.gz ZXWPGZYVTUKGEM-UHFFFAOYSA-N 1 0 487.378 4.725 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)CC1 ZINC001164614252 719023775 /nfs/dbraw/zinc/02/37/75/719023775.db2.gz QIBYCBJGMHUFFX-UHFFFAOYSA-N 1 0 450.608 4.602 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC2)CC1 ZINC001164613937 719024890 /nfs/dbraw/zinc/02/48/90/719024890.db2.gz KGHQKZMZFVRAPB-UHFFFAOYSA-N 1 0 487.378 4.725 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC2)CC1 ZINC001164618387 719031544 /nfs/dbraw/zinc/03/15/44/719031544.db2.gz VPABDSLXIIJLBT-UHFFFAOYSA-N 1 0 470.775 4.831 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)CC2)CC1 ZINC001164617482 719033522 /nfs/dbraw/zinc/03/35/22/719033522.db2.gz KYNBPVFAHVYVEE-UHFFFAOYSA-N 1 0 483.056 4.920 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC2)CC1 ZINC001164618533 719034035 /nfs/dbraw/zinc/03/40/35/719034035.db2.gz ULUOWDUSFWKETE-UHFFFAOYSA-N 1 0 469.882 4.543 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3cccc(CC)c3)CC2)CC1 ZINC001164618640 719035136 /nfs/dbraw/zinc/03/51/36/719035136.db2.gz WZFMMJZSQNFMMX-UHFFFAOYSA-N 1 0 473.017 4.729 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)CC2)CC1 ZINC001164617193 719036226 /nfs/dbraw/zinc/03/62/26/719036226.db2.gz JPCGKPXQCFIYGS-UHFFFAOYSA-N 1 0 496.961 4.725 20 0 JJADRO c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2nc(CN4CCCCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164621329 719047796 /nfs/dbraw/zinc/04/77/96/719047796.db2.gz IOSXPNQZAUKYGW-DWACAAAGSA-N 1 0 473.690 4.749 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164624794 719049492 /nfs/dbraw/zinc/04/94/92/719049492.db2.gz PBEFNTNHZZHOBI-QPPBQGQZSA-N 1 0 470.951 4.934 20 0 JJADRO COc1ccccc1-c1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c(Cl)nn1 ZINC001164628685 719049655 /nfs/dbraw/zinc/04/96/55/719049655.db2.gz YRPPBCHDNBJYLX-GBXCKJPGSA-N 1 0 470.951 4.934 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164624803 719049679 /nfs/dbraw/zinc/04/96/79/719049679.db2.gz PBEFNTNHZZHOBI-URXFXBBRSA-N 1 0 470.951 4.934 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164630152 719095399 /nfs/dbraw/zinc/09/53/99/719095399.db2.gz VPVMXYCMZBVLMK-WOJBJXKFSA-N 1 0 455.940 4.838 20 0 JJADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cc(-c4ccccc4C(F)(F)F)nnc3Cl)C[C@@H]2CF)CC1 ZINC001164624150 719126164 /nfs/dbraw/zinc/12/61/64/719126164.db2.gz UBFBSALVLDGBLG-XHDPSFHLSA-N 1 0 464.841 4.874 20 0 JJADRO Fc1ccc(CN2CCOCC23CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)cc1 ZINC001164671308 719501876 /nfs/dbraw/zinc/50/18/76/719501876.db2.gz DQPQACHOTFEYPJ-UHFFFAOYSA-N 1 0 486.635 4.650 20 0 JJADRO Cc1nc(CN2C(=O)CCC23CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001164685686 719593431 /nfs/dbraw/zinc/59/34/31/719593431.db2.gz LYBKQGDCYSUIBP-UHFFFAOYSA-N 1 0 487.673 4.566 20 0 JJADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)c2c1CC[NH2+]C2 ZINC001164680596 719645318 /nfs/dbraw/zinc/64/53/18/719645318.db2.gz XQBCIEATVIZBQY-UHFFFAOYSA-N 1 0 463.935 4.821 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3ccnc(Cl)c3F)CC2)c2ccccc21 ZINC001164681391 719658451 /nfs/dbraw/zinc/65/84/51/719658451.db2.gz NLTXRYHXYSZARK-QGZVFWFLSA-N 1 0 494.989 4.512 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4c(F)cccc43)CC2)c2ccccc21 ZINC001164686812 719665626 /nfs/dbraw/zinc/66/56/26/719665626.db2.gz XAOOCIUDUCLQND-GOSISDBHSA-N 1 0 496.030 4.516 20 0 JJADRO Cc1cccc2c(Cl)nnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164687150 719667692 /nfs/dbraw/zinc/66/76/92/719667692.db2.gz ZQOGHJPXZJGQEP-HXUWFJFHSA-N 1 0 492.067 4.685 20 0 JJADRO Cc1sc2nc(C)nc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1C ZINC001164684644 719668292 /nfs/dbraw/zinc/66/82/92/719668292.db2.gz UZDAEPZBVKZWPO-OAQYLSRUSA-N 1 0 491.705 4.710 20 0 JJADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681530 719672027 /nfs/dbraw/zinc/67/20/27/719672027.db2.gz MMIAOFKYCLZZJS-IBGZPJMESA-N 1 0 491.026 4.682 20 0 JJADRO CC(C)c1ccc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164684577 719677701 /nfs/dbraw/zinc/67/77/01/719677701.db2.gz UWBBYDVFEUKLDN-HSZRJFAPSA-N 1 0 485.676 4.847 20 0 JJADRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(-c2ccsc2)n1 ZINC001164681973 719679416 /nfs/dbraw/zinc/67/94/16/719679416.db2.gz ORKAPMZXSZWCAI-QFIPXVFZSA-N 1 0 489.689 4.607 20 0 JJADRO Cc1cccc2ccnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164683037 719680906 /nfs/dbraw/zinc/68/09/06/719680906.db2.gz QQMZXFVGWMWQOT-QHCPKHFHSA-N 1 0 456.634 4.637 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)CC3)cs1 ZINC001164692616 719810461 /nfs/dbraw/zinc/81/04/61/719810461.db2.gz LKOTXWRBMNIJPR-UHFFFAOYSA-N 1 0 462.063 4.663 20 0 JJADRO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692181 719811178 /nfs/dbraw/zinc/81/11/78/719811178.db2.gz NDBROAMZNBNNTM-UHFFFAOYSA-N 1 0 450.608 4.811 20 0 JJADRO COc1ccc(-c2ccc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)nn2)c(OC)c1OC ZINC001164693121 719815595 /nfs/dbraw/zinc/81/55/95/719815595.db2.gz UVRYLUWHLDQSQF-UHFFFAOYSA-N 1 0 495.649 4.569 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)cnc43)CC2)nc1 ZINC001164697387 719830603 /nfs/dbraw/zinc/83/06/03/719830603.db2.gz NXISMNAGGUBOCX-VWLOTQADSA-N 1 0 498.675 4.923 20 0 JJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3nc(C(=O)Nc4cccc(OC)c4)sc3CC2)nc1 ZINC001164715025 720088485 /nfs/dbraw/zinc/08/84/85/720088485.db2.gz XYYDNPZLZLQBEZ-QHCPKHFHSA-N 1 0 491.661 4.951 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164712513 720094771 /nfs/dbraw/zinc/09/47/71/720094771.db2.gz WKXCLCBINWCMAK-IBGZPJMESA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164716888 720110408 /nfs/dbraw/zinc/11/04/08/720110408.db2.gz LEEFJXUNIXEXFT-HXUWFJFHSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164718593 720120123 /nfs/dbraw/zinc/12/01/23/720120123.db2.gz SYDZNENBVOWTBE-QHCPKHFHSA-N 1 0 494.039 4.612 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164812537 720124360 /nfs/dbraw/zinc/12/43/60/720124360.db2.gz PHLIMYYUGJLJMN-BTYIYWSLSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164711227 720131026 /nfs/dbraw/zinc/13/10/26/720131026.db2.gz GFHRWQNMGWHXLX-SFHVURJKSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3F)nc3ccc(C)cc31)C2 ZINC001164806995 720131805 /nfs/dbraw/zinc/13/18/05/720131805.db2.gz ADBFZMCALFBGAM-PIKZIKFNSA-N 1 0 460.597 4.929 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164808224 720137464 /nfs/dbraw/zinc/13/74/64/720137464.db2.gz FAMNTRXKZNJBGR-AUSIDOKSSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164714607 720140067 /nfs/dbraw/zinc/14/00/67/720140067.db2.gz XOXXCJFNNXYFMD-QHCPKHFHSA-N 1 0 480.616 4.594 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164710404 720145026 /nfs/dbraw/zinc/14/50/26/720145026.db2.gz AXKGGTDXZHOPHX-HSZRJFAPSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164711298 720152003 /nfs/dbraw/zinc/15/20/03/720152003.db2.gz HBNGSADLOVLOAA-QFIPXVFZSA-N 1 0 486.645 4.656 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164711389 720157900 /nfs/dbraw/zinc/15/79/00/720157900.db2.gz BKMFSZSJXDOQNX-HXUWFJFHSA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)CC2 ZINC001164716094 720158234 /nfs/dbraw/zinc/15/82/34/720158234.db2.gz XPKMMWFQUKDYNR-FQEVSTJZSA-N 1 0 485.003 4.938 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)C2 ZINC001164816257 720166483 /nfs/dbraw/zinc/16/64/83/720166483.db2.gz KNCBNBNKCBZRLE-CCLHPLFOSA-N 1 0 464.560 4.760 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3scc(-c4cccs4)c31)C2 ZINC001164816904 720170271 /nfs/dbraw/zinc/17/02/71/720170271.db2.gz NPVLIRRFZFHHCF-UUOWRZLLSA-N 1 0 454.665 4.913 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CSC)nc3sc4c(c31)CCCC4)C2 ZINC001164818221 720170943 /nfs/dbraw/zinc/17/09/43/720170943.db2.gz SHIJFJXUMAFORW-CJAUYULYSA-N 1 0 472.724 4.618 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)C2 ZINC001164813658 720193988 /nfs/dbraw/zinc/19/39/88/720193988.db2.gz DDRXPYMBELTDDR-GAJHUEQPSA-N 1 0 465.400 4.774 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)C2 ZINC001164810310 720197925 /nfs/dbraw/zinc/19/79/25/720197925.db2.gz BVSHKPYSXOQUCR-UZUQRXQVSA-N 1 0 463.409 4.760 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)C2 ZINC001164814674 720204054 /nfs/dbraw/zinc/20/40/54/720204054.db2.gz WANOYKZHJLBOIF-RDPSFJRHSA-N 1 0 476.999 4.835 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164814577 720206033 /nfs/dbraw/zinc/20/60/33/720206033.db2.gz UNYJOTWJEPDLMD-JPYJTQIMSA-N 1 0 454.005 4.734 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc(-c4ccc(Cl)cc4)sc31)CCC2 ZINC001164813257 720237397 /nfs/dbraw/zinc/23/73/97/720237397.db2.gz MCQOLDSPQLVWQU-UHFFFAOYSA-N 1 0 495.052 4.819 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)CCC2 ZINC001164814489 720240610 /nfs/dbraw/zinc/24/06/10/720240610.db2.gz VLLQNXACPRAHKI-UHFFFAOYSA-N 1 0 480.616 4.618 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccccc3)nc(-c3cccs3)n1)CCC2 ZINC001164814049 720240868 /nfs/dbraw/zinc/24/08/68/720240868.db2.gz UENDBTBNBWWLOR-UHFFFAOYSA-N 1 0 486.645 4.679 20 0 JJADRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164812227 720242191 /nfs/dbraw/zinc/24/21/91/720242191.db2.gz DIAXXOGUCPTDSM-UHFFFAOYSA-N 1 0 494.643 4.926 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3cc(Cl)c(Cl)cc3nc2Cl)CC1 ZINC001164827947 720307545 /nfs/dbraw/zinc/30/75/45/720307545.db2.gz YPKMIHFYEFKSLB-RTBURBONSA-N 1 0 482.843 4.502 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3cc(Cl)c(Cl)cc3nc2Cl)CC1 ZINC001164827939 720307705 /nfs/dbraw/zinc/30/77/05/720307705.db2.gz YPKMIHFYEFKSLB-MOPGFXCFSA-N 1 0 482.843 4.502 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 ZINC001164820566 720307997 /nfs/dbraw/zinc/30/79/97/720307997.db2.gz HMZWHHFEZQIBAQ-VSGBNLITSA-N 1 0 481.644 4.722 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001164832965 720317065 /nfs/dbraw/zinc/31/70/65/720317065.db2.gz VBTIWVDJFJUDRN-RPBOFIJWSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC001164824702 720325039 /nfs/dbraw/zinc/32/50/39/720325039.db2.gz CTQGMXKGKZWREE-RPBOFIJWSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC001164824699 720325194 /nfs/dbraw/zinc/32/51/94/720325194.db2.gz CTQGMXKGKZWREE-LOSJGSFVSA-N 1 0 490.051 4.862 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164825385 720327293 /nfs/dbraw/zinc/32/72/93/720327293.db2.gz DLAUQSSKWCKIAP-CLJLJLNGSA-N 1 0 469.633 4.517 20 0 JJADRO Cc1sc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1-c1ccccc1 ZINC001164831617 720339392 /nfs/dbraw/zinc/33/93/92/720339392.db2.gz ZFIDEUCCCRHLBQ-FCHUYYIVSA-N 1 0 475.662 4.578 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)s1 ZINC001164829621 720342870 /nfs/dbraw/zinc/34/28/70/720342870.db2.gz SVJHCUQAEVKJOY-PKTZIBPZSA-N 1 0 475.662 4.578 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1 ZINC001164831615 720345744 /nfs/dbraw/zinc/34/57/44/720345744.db2.gz ZBYXTJAAXUIGLC-VSGBNLITSA-N 1 0 481.644 4.722 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)CC1 ZINC001164830606 720348981 /nfs/dbraw/zinc/34/89/81/720348981.db2.gz WCNKZKAEFWYNDD-WUFINQPMSA-N 1 0 497.643 4.847 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC001164829398 720350390 /nfs/dbraw/zinc/35/03/90/720350390.db2.gz SBBHGFRQJXCOBO-UXHICEINSA-N 1 0 492.426 4.501 20 0 JJADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729791 720393316 /nfs/dbraw/zinc/39/33/16/720393316.db2.gz WKMWJUQPGSGZCK-IRXDYDNUSA-N 1 0 450.320 4.730 20 0 JJADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730923 720434791 /nfs/dbraw/zinc/43/47/91/720434791.db2.gz JUBFXCZRUVUPTN-FCHUYYIVSA-N 1 0 468.630 4.880 20 0 JJADRO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CC[N@@H+]4Cc2cccnc2)n1)CCCC3 ZINC001164734814 720439039 /nfs/dbraw/zinc/43/90/39/720439039.db2.gz UWDROGNGWYYASM-OALUTQOASA-N 1 0 451.665 4.681 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC[C@@H]21 ZINC001164833272 720521331 /nfs/dbraw/zinc/52/13/31/720521331.db2.gz CPBYNKUZGCEFKV-GJYPPUQNSA-N 1 0 478.950 4.542 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4scc(-c5ccccc5)c43)CC[C@@H]21 ZINC001164832470 720522957 /nfs/dbraw/zinc/52/29/57/720522957.db2.gz AVWXHCJLVKRGFB-GIWBLDEGSA-N 1 0 458.635 4.933 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4scc(-c5cccs5)c43)CC[C@@H]21 ZINC001164833293 720523334 /nfs/dbraw/zinc/52/33/34/720523334.db2.gz CYENEJKMEKMPIS-HBFSDRIKSA-N 1 0 464.664 4.994 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@@H]21 ZINC001164832389 720523626 /nfs/dbraw/zinc/52/36/26/720523626.db2.gz ANUBNUWFASSRLL-NWSQWKLXSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842040 720538819 /nfs/dbraw/zinc/53/88/19/720538819.db2.gz WEOHCJJCKQGOSY-RIFZZMRRSA-N 1 0 478.950 4.542 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164734695 720545171 /nfs/dbraw/zinc/54/51/71/720545171.db2.gz KOEGVJOQGMLSLV-AWEZNQCLSA-N 1 0 459.368 4.998 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)n1 ZINC001164736442 720546268 /nfs/dbraw/zinc/54/62/68/720546268.db2.gz YGKDZQLBHWUUIY-LJQANCHMSA-N 1 0 459.704 4.666 20 0 JJADRO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733104 720555928 /nfs/dbraw/zinc/55/59/28/720555928.db2.gz JNRRSTNXKBDAET-UHFFFAOYSA-N 1 0 457.956 4.802 20 0 JJADRO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)cc1 ZINC001164733689 720557438 /nfs/dbraw/zinc/55/74/38/720557438.db2.gz OTLCPRLBICUDGB-UHFFFAOYSA-N 1 0 476.987 4.944 20 0 JJADRO CSc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncn2)cc1 ZINC001164835176 720581953 /nfs/dbraw/zinc/58/19/53/720581953.db2.gz AHHMWKRCVTUKHZ-SXWKCWPCSA-N 1 0 464.639 4.565 20 0 JJADRO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cccn6)[N@@H+]5C(C)C)C4)c23)cc1 ZINC001164843515 720600253 /nfs/dbraw/zinc/60/02/53/720600253.db2.gz XOKKSTZAZCMTQT-ZFGGDYGUSA-N 1 0 488.661 4.941 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(F)ccc3Oc3ccc(Cl)nn3)CC[C@@H]21 ZINC001164839745 720603449 /nfs/dbraw/zinc/60/34/49/720603449.db2.gz OGLNHXCWZOMVEA-IHPCNDPISA-N 1 0 470.980 4.636 20 0 JJADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164836142 720604398 /nfs/dbraw/zinc/60/43/98/720604398.db2.gz DVPPBORPQPWQJQ-XPWALMASSA-N 1 0 487.677 4.944 20 0 JJADRO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)c1 ZINC001164836584 720623687 /nfs/dbraw/zinc/62/36/87/720623687.db2.gz FUSROWKLSCJDJQ-QSEAXJEQSA-N 1 0 482.632 4.880 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(F)c3)CC[C@@H]21 ZINC001164838286 720642121 /nfs/dbraw/zinc/64/21/21/720642121.db2.gz KOWCUDXEJCALIN-LMNJBCLMSA-N 1 0 470.980 4.636 20 0 JJADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838815 720651831 /nfs/dbraw/zinc/65/18/31/720651831.db2.gz HRMDSADDELZYQM-BBTUJRGHSA-N 1 0 457.981 4.610 20 0 JJADRO CSc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842649 720664383 /nfs/dbraw/zinc/66/43/83/720664383.db2.gz SXVPPPMUVNCWIK-QGZVFWFLSA-N 1 0 469.001 4.657 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164841057 720678671 /nfs/dbraw/zinc/67/86/71/720678671.db2.gz HIYDTWXGPQZQET-FQEVSTJZSA-N 1 0 456.681 4.605 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164840413 720694470 /nfs/dbraw/zinc/69/44/70/720694470.db2.gz DMVIOVYAAMNVTN-RUZDIDTESA-N 1 0 485.607 4.879 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164841290 720697077 /nfs/dbraw/zinc/69/70/77/720697077.db2.gz ISYDSPSPGJICAE-NRFANRHFSA-N 1 0 471.045 4.523 20 0 JJADRO Cc1nc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)c1C ZINC001164843309 720699064 /nfs/dbraw/zinc/69/90/64/720699064.db2.gz NIPWCKGCVAKIOT-IBGZPJMESA-N 1 0 450.961 4.552 20 0 JJADRO COc1cccc(Oc2cncc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)c1 ZINC001164841786 720703964 /nfs/dbraw/zinc/70/39/64/720703964.db2.gz XAENUMNTWVNLCW-QFIPXVFZSA-N 1 0 460.578 4.537 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164842866 720714488 /nfs/dbraw/zinc/71/44/88/720714488.db2.gz ZOCVWCQFGHRADL-QHCPKHFHSA-N 1 0 483.056 4.621 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164842319 720724313 /nfs/dbraw/zinc/72/43/13/720724313.db2.gz YGFFJOYCSCNDEX-OAQYLSRUSA-N 1 0 472.029 4.950 20 0 JJADRO COc1ccc(Cc2c(C)nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2C)cc1 ZINC001164838183 720724959 /nfs/dbraw/zinc/72/49/59/720724959.db2.gz HAVVYYPJNBTNBS-SANMLTNESA-N 1 0 486.660 4.953 20 0 JJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 ZINC001164836102 720737487 /nfs/dbraw/zinc/73/74/87/720737487.db2.gz AHOYSGXQFBOAAU-UHFFFAOYSA-N 1 0 451.977 4.953 20 0 JJADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838822 720739234 /nfs/dbraw/zinc/73/92/34/720739234.db2.gz YDTGMRQTTRFSQY-UHFFFAOYSA-N 1 0 483.350 4.610 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c(Cl)nn2)c1 ZINC001164845209 720740951 /nfs/dbraw/zinc/74/09/51/720740951.db2.gz XDUBLKLCTIQFHA-UHFFFAOYSA-N 1 0 488.970 4.599 20 0 JJADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745140 720822344 /nfs/dbraw/zinc/82/23/44/720822344.db2.gz WPWFTVWSKLVHGO-PLMTUMEDSA-N 1 0 457.409 4.513 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164745161 720836743 /nfs/dbraw/zinc/83/67/43/720836743.db2.gz MAELMRLXHVLCPK-ONBPZOJHSA-N 1 0 479.632 4.576 20 0 JJADRO COc1ccc2c(c1)nc(N1CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)cc2-c1ccccc1 ZINC001164740524 720847697 /nfs/dbraw/zinc/84/76/97/720847697.db2.gz CFJSUEBFZFXEPT-NDIVSWGXSA-N 1 0 494.643 4.881 20 0 JJADRO c1ncn(C[C@H]2C[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164752617 720852159 /nfs/dbraw/zinc/85/21/59/720852159.db2.gz SZEDINHPHQHKGD-YIKNKFAXSA-N 1 0 491.643 4.782 20 0 JJADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752901 720872860 /nfs/dbraw/zinc/87/28/60/720872860.db2.gz NJMNZAIAMYYYSG-XXBNENTESA-N 1 0 480.962 4.569 20 0 JJADRO CSc1nc2sccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754835 720874123 /nfs/dbraw/zinc/87/41/23/720874123.db2.gz TXHHRKBHZXESMF-CJFMBICVSA-N 1 0 481.691 4.563 20 0 JJADRO Fc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164754593 720875566 /nfs/dbraw/zinc/87/55/66/720875566.db2.gz SBTCTMMHSFHSLW-WMZHIEFXSA-N 1 0 480.962 4.569 20 0 JJADRO c1ccc(-c2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)cc1 ZINC001164748416 720880784 /nfs/dbraw/zinc/88/07/84/720880784.db2.gz DRCONFLDLLWKDM-PXJZQJOASA-N 1 0 454.618 4.899 20 0 JJADRO c1ccc(-c2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cc1 ZINC001164748419 720880868 /nfs/dbraw/zinc/88/08/68/720880868.db2.gz DRCONFLDLLWKDM-YTMVLYRLSA-N 1 0 454.618 4.899 20 0 JJADRO Cc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164751635 720881944 /nfs/dbraw/zinc/88/19/44/720881944.db2.gz DAHMFMBANHZHIZ-NBGIEHNGSA-N 1 0 484.069 4.803 20 0 JJADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756054 720888778 /nfs/dbraw/zinc/88/87/78/720888778.db2.gz OHBVJNUNSFAEQJ-WMZHIEFXSA-N 1 0 480.962 4.569 20 0 JJADRO Clc1ncc(-c2ccccc2)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755364 720890881 /nfs/dbraw/zinc/89/08/81/720890881.db2.gz LLCVUVQUEGCZDJ-RBJSKKJNSA-N 1 0 490.051 4.947 20 0 JJADRO Clc1ccccc1-c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752724 720897143 /nfs/dbraw/zinc/89/71/43/720897143.db2.gz FXPPMOORADCFCS-FIPFOOKPSA-N 1 0 490.051 4.947 20 0 JJADRO Clc1ccccc1-c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752731 720897413 /nfs/dbraw/zinc/89/74/13/720897413.db2.gz FXPPMOORADCFCS-NEKDWFFYSA-N 1 0 490.051 4.947 20 0 JJADRO Fc1cccc(Oc2cncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164756956 720898548 /nfs/dbraw/zinc/89/85/48/720898548.db2.gz SPJKESGYUFOUDB-FIPFOOKPSA-N 1 0 489.595 4.558 20 0 JJADRO Fc1cccc(Oc2cncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164756960 720898593 /nfs/dbraw/zinc/89/85/93/720898593.db2.gz SPJKESGYUFOUDB-QDPGVEIFSA-N 1 0 489.595 4.558 20 0 JJADRO c1ccc(COc2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164753881 720900388 /nfs/dbraw/zinc/90/03/88/720900388.db2.gz HOTQATZODNNQST-FIBWVYCGSA-N 1 0 484.644 4.811 20 0 JJADRO CC(C)(C)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755426 720903669 /nfs/dbraw/zinc/90/36/69/720903669.db2.gz MATNVNZNQGWEPT-RLWLMLJZSA-N 1 0 470.061 4.578 20 0 JJADRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)cc1Cl ZINC001164756247 720904720 /nfs/dbraw/zinc/90/47/20/720904720.db2.gz OTISDQBXQCRAOO-GBXCKJPGSA-N 1 0 461.437 4.847 20 0 JJADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748999 720909876 /nfs/dbraw/zinc/90/98/76/720909876.db2.gz HFEIQHARWYNQTP-AJTFRIOCSA-N 1 0 484.088 4.886 20 0 JJADRO CC(C)c1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164748540 720911935 /nfs/dbraw/zinc/91/19/35/720911935.db2.gz GURXFGIMUSRABH-ABYGYWHVSA-N 1 0 471.649 4.903 20 0 JJADRO Cc1ccc(C)c(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164749129 720916700 /nfs/dbraw/zinc/91/67/00/720916700.db2.gz HWVLUGKFZHARLR-PDDLMNHVSA-N 1 0 483.660 4.911 20 0 JJADRO CCc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164747872 720921511 /nfs/dbraw/zinc/92/15/11/720921511.db2.gz DPHSJAISICEFML-FIBWVYCGSA-N 1 0 483.660 4.856 20 0 JJADRO CCN(c1ccccc1)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164749098 720924842 /nfs/dbraw/zinc/92/48/42/720924842.db2.gz HSGAXAWGICVWQU-VIZCGCQYSA-N 1 0 498.675 4.785 20 0 JJADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747411 720934877 /nfs/dbraw/zinc/93/48/77/720934877.db2.gz CZEAOYVPIPANSK-WNCULLNHSA-N 1 0 482.072 4.856 20 0 JJADRO COc1cc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1F ZINC001164749085 720935270 /nfs/dbraw/zinc/93/52/70/720935270.db2.gz HROGDUJBBKXPJQ-FIPFOOKPSA-N 1 0 476.596 4.533 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)[C@H]2C ZINC001164859760 720991111 /nfs/dbraw/zinc/99/11/11/720991111.db2.gz MLMINDRSOZDSDU-FQEVSTJZSA-N 1 0 461.610 4.802 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164856305 721003883 /nfs/dbraw/zinc/00/38/83/721003883.db2.gz AXGLTFHVVWHFBP-LJQANCHMSA-N 1 0 481.714 4.912 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)[C@H]2C ZINC001164864763 721014255 /nfs/dbraw/zinc/01/42/55/721014255.db2.gz ZIZBOJRFOPFQLX-INIZCTEOSA-N 1 0 460.960 4.960 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3cc(OCc4ccccc4)ccc31)[C@H]2C ZINC001164864826 721018728 /nfs/dbraw/zinc/01/87/28/721018728.db2.gz ZUQMQHPVUJDHJF-FQEVSTJZSA-N 1 0 456.594 4.827 20 0 JJADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866644 721079312 /nfs/dbraw/zinc/07/93/12/721079312.db2.gz UKFIPFWYPBJUTA-ROUUACIJSA-N 1 0 479.358 4.961 20 0 JJADRO Clc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164865684 721085157 /nfs/dbraw/zinc/08/51/57/721085157.db2.gz OGZMMXVLZGBRNW-PKTZIBPZSA-N 1 0 471.992 4.825 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@@H]3C2)cn1 ZINC001164769472 721097328 /nfs/dbraw/zinc/09/73/28/721097328.db2.gz ORECQLRQYWQGEV-SFTDATJTSA-N 1 0 457.956 4.639 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164763651 721101322 /nfs/dbraw/zinc/10/13/22/721101322.db2.gz GMPIXMRIOLKMNO-DQEYMECFSA-N 1 0 450.590 4.502 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@@H]3C2)cn1 ZINC001164763381 721153694 /nfs/dbraw/zinc/15/36/94/721153694.db2.gz FJEJLZFHFIZNQR-UXHICEINSA-N 1 0 476.987 4.781 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@H]3C2)cn1 ZINC001164769075 721156115 /nfs/dbraw/zinc/15/61/15/721156115.db2.gz PHYMBTHHVFFANH-LOSJGSFVSA-N 1 0 453.590 4.506 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164773668 721157045 /nfs/dbraw/zinc/15/70/45/721157045.db2.gz YNYYZERBUJXQOM-RTWAWAEBSA-N 1 0 458.997 4.642 20 0 JJADRO c1ccc(-c2ccc(-c3ccc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164876368 721162174 /nfs/dbraw/zinc/16/21/74/721162174.db2.gz LVUDVJZOHIXLLY-SXOMAYOGSA-N 1 0 463.585 4.685 20 0 JJADRO Fc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164879919 721169003 /nfs/dbraw/zinc/16/90/03/721169003.db2.gz VJWBITNNGUARRD-VXKWHMMOSA-N 1 0 488.941 4.961 20 0 JJADRO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164881006 721169307 /nfs/dbraw/zinc/16/93/07/721169307.db2.gz YTTRMDRGJSPZHU-WOJBJXKFSA-N 1 0 488.941 4.961 20 0 JJADRO c1ccc(Oc2ccc(-c3ccc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164881092 721171401 /nfs/dbraw/zinc/17/14/01/721171401.db2.gz ZAAVGBHCQKQJOO-RPLLCQBOSA-N 1 0 479.584 4.811 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164764985 721195856 /nfs/dbraw/zinc/19/58/56/721195856.db2.gz HJYXHVHCABCTJV-NHCUHLMSSA-N 1 0 458.997 4.642 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164761326 721218219 /nfs/dbraw/zinc/21/82/19/721218219.db2.gz AMAYJGBDJOTCEO-UIOOFZCWSA-N 1 0 450.590 4.502 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164763269 721220686 /nfs/dbraw/zinc/22/06/86/721220686.db2.gz FBKLSJTUVXMNJQ-YADHBBJMSA-N 1 0 470.646 4.928 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@@H]3C2)cn1 ZINC001164770797 721224368 /nfs/dbraw/zinc/22/43/68/721224368.db2.gz OMBPSBFESVQETO-MOPGFXCFSA-N 1 0 475.946 4.778 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164762579 721226431 /nfs/dbraw/zinc/22/64/31/721226431.db2.gz LFIBMMZJXMRNFL-RPWUZVMVSA-N 1 0 466.589 4.628 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164762491 721246907 /nfs/dbraw/zinc/24/69/07/721246907.db2.gz LARDITWKIAHVEP-NHCUHLMSSA-N 1 0 471.983 4.947 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)cnc2Cl)c1 ZINC001164762498 721247234 /nfs/dbraw/zinc/24/72/34/721247234.db2.gz LARDITWKIAHVEP-SFTDATJTSA-N 1 0 471.983 4.947 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cnc2Cl)c1 ZINC001164763891 721247676 /nfs/dbraw/zinc/24/76/76/721247676.db2.gz NVXPTJVMCCTMTO-UXHICEINSA-N 1 0 487.982 4.647 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164763892 721247877 /nfs/dbraw/zinc/24/78/77/721247877.db2.gz NVXPTJVMCCTMTO-VQTJNVASSA-N 1 0 487.982 4.647 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164879781 721259593 /nfs/dbraw/zinc/25/95/93/721259593.db2.gz YXPVPXKZOPTIBC-BXTSTYNKSA-N 1 0 462.638 4.577 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164777705 721327436 /nfs/dbraw/zinc/32/74/36/721327436.db2.gz PJHAURXSJIDONU-JTHBVZDNSA-N 1 0 454.590 4.760 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164777704 721327683 /nfs/dbraw/zinc/32/76/83/721327683.db2.gz PJHAURXSJIDONU-GMAHTHKFSA-N 1 0 454.590 4.760 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ccnn3C[C@H](COCc3csc(C)n3)C2)nc1 ZINC001164876313 721332319 /nfs/dbraw/zinc/33/23/19/721332319.db2.gz NYGKOXSREBHISU-PXDATVDWSA-N 1 0 480.682 4.833 20 0 JJADRO COc1cccc2c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc(Cl)nc12 ZINC001164776435 721332441 /nfs/dbraw/zinc/33/24/41/721332441.db2.gz FKAZRLPRRQHXKK-RUZDIDTESA-N 1 0 471.001 4.621 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccnc(Cl)c4)ccn3)C2)C1 ZINC001164777361 721342050 /nfs/dbraw/zinc/34/20/50/721342050.db2.gz GLIBMTAGNLRPDY-VWLOTQADSA-N 1 0 468.001 4.521 20 0 JJADRO COc1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c2cc(Cl)ccc12 ZINC001164777724 721350238 /nfs/dbraw/zinc/35/02/38/721350238.db2.gz HPMYQZREAMYQTQ-VWLOTQADSA-N 1 0 471.001 4.621 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3-c3ccccc3)C2)C1 ZINC001164779763 721351250 /nfs/dbraw/zinc/35/12/50/721351250.db2.gz VXOAPIWJOCVWIH-RUZDIDTESA-N 1 0 468.001 4.521 20 0 JJADRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)C)n3)C2)C1 ZINC001164786189 721370127 /nfs/dbraw/zinc/37/01/27/721370127.db2.gz WSKDNAWKPDCMHA-SANMLTNESA-N 1 0 455.647 4.621 20 0 JJADRO COc1cc2cnc(Cl)cc2cc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164786178 721376929 /nfs/dbraw/zinc/37/69/29/721376929.db2.gz UFIJEKJPCAANQM-RUZDIDTESA-N 1 0 471.001 4.621 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C3)O2)CC1 ZINC001164890499 721396182 /nfs/dbraw/zinc/39/61/82/721396182.db2.gz NQTPZXGHEBGFCX-UKILVPOCSA-N 1 0 491.026 4.712 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164886791 721398539 /nfs/dbraw/zinc/39/85/39/721398539.db2.gz GIBPXZDIGQBJBJ-PDDLMNHVSA-N 1 0 483.660 4.576 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164892472 721409369 /nfs/dbraw/zinc/40/93/69/721409369.db2.gz YJBMYLCWTJJNJK-QDPGVEIFSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893734 721425550 /nfs/dbraw/zinc/42/55/50/721425550.db2.gz KDWFFYNPHVSOCJ-FQRUVTKNSA-N 1 0 498.096 4.777 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)C3)O2)CC1 ZINC001164899169 721432319 /nfs/dbraw/zinc/43/23/19/721432319.db2.gz YAAZWXULUYYXPW-PWUYWRBVSA-N 1 0 456.634 4.667 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c3ccccc32)cc1C ZINC001164890249 721434282 /nfs/dbraw/zinc/43/42/82/721434282.db2.gz CSMJMXNTEQUHPQ-QCDSWUKFSA-N 1 0 485.676 4.679 20 0 JJADRO COc1ccc2c(c1)nc(N1CC[C@@]3(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O3)cc2-c1ccccc1 ZINC001164898358 721434730 /nfs/dbraw/zinc/43/47/30/721434730.db2.gz VTJKIZXKHANZFB-SETSBSEESA-N 1 0 486.660 4.676 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1C ZINC001164898658 721434882 /nfs/dbraw/zinc/43/48/82/721434882.db2.gz WINMSNYVUOKIIF-FNZWTVRRSA-N 1 0 497.734 4.802 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C3)O2)CC1 ZINC001164897370 721440865 /nfs/dbraw/zinc/44/08/65/721440865.db2.gz TWSBSZJGEXAZEA-LXFBAYGMSA-N 1 0 489.689 4.638 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164890729 721441564 /nfs/dbraw/zinc/44/15/64/721441564.db2.gz DPYQSYAUDKNMDC-FIBWVYCGSA-N 1 0 483.660 4.576 20 0 JJADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898772 721442534 /nfs/dbraw/zinc/44/25/34/721442534.db2.gz WYGPKPUVXONFHF-QCENPCRXSA-N 1 0 497.687 4.884 20 0 JJADRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898770 721443004 /nfs/dbraw/zinc/44/30/04/721443004.db2.gz WYGPKPUVXONFHF-MVSFAKPFSA-N 1 0 497.687 4.884 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164785932 721453543 /nfs/dbraw/zinc/45/35/43/721453543.db2.gz ITNSCIFHDIZMHA-HXUWFJFHSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164785299 721456127 /nfs/dbraw/zinc/45/61/27/721456127.db2.gz IIJVSCATFHWQHF-SFHVURJKSA-N 1 0 450.048 4.684 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164789855 721458563 /nfs/dbraw/zinc/45/85/63/721458563.db2.gz XSLXOVOFVUTWLQ-SFHVURJKSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164784707 721459520 /nfs/dbraw/zinc/45/95/20/721459520.db2.gz JSACXCXWPFYLTN-KRWDZBQOSA-N 1 0 478.411 4.667 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164789972 721467449 /nfs/dbraw/zinc/46/74/49/721467449.db2.gz PRAFMTKXXKQQOA-HSZRJFAPSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164788839 721468461 /nfs/dbraw/zinc/46/84/61/721468461.db2.gz LQWSANBSSIBFLU-QFIPXVFZSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164787481 721469535 /nfs/dbraw/zinc/46/95/35/721469535.db2.gz GCKQMZYFRFSJEE-NRFANRHFSA-N 1 0 489.035 4.670 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164787122 721473902 /nfs/dbraw/zinc/47/39/02/721473902.db2.gz CMYCOVMRPBDOAB-OAQYLSRUSA-N 1 0 484.031 4.589 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164787117 721474024 /nfs/dbraw/zinc/47/40/24/721474024.db2.gz CMYCOVMRPBDOAB-NRFANRHFSA-N 1 0 484.031 4.589 20 0 JJADRO CNC(=O)N[C@@H]1CC2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)c2ccc(C)cc21 ZINC001164900390 721492227 /nfs/dbraw/zinc/49/22/27/721492227.db2.gz OVDPGPPLLREMCM-MUUNZHRXSA-N 1 0 495.671 4.860 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164792999 721495945 /nfs/dbraw/zinc/49/59/45/721495945.db2.gz YDQSFGPBWNNKMT-UHFFFAOYSA-N 1 0 464.013 4.985 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164796699 721498643 /nfs/dbraw/zinc/49/86/43/721498643.db2.gz VOYQFYVWCBBJOG-UHFFFAOYSA-N 1 0 456.368 4.690 20 0 JJADRO COc1ccc(Cn2cc3[nH]c(N4CCC5(CC([N@H+](C)Cc6ccncc6)C5)CC4)ccc-3c2=O)cc1 ZINC001164795936 721499301 /nfs/dbraw/zinc/49/93/01/721499301.db2.gz NPIRCGQYAXFDBT-UHFFFAOYSA-N 1 0 497.643 4.522 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164799362 721579928 /nfs/dbraw/zinc/57/99/28/721579928.db2.gz AZDFUEPYWXJBGJ-VXNXHJTFSA-N 1 0 457.603 4.622 20 0 JJADRO Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C ZINC001164811498 721585387 /nfs/dbraw/zinc/58/53/87/721585387.db2.gz XUBIPKIWRIHLOX-SGNDLWITSA-N 1 0 464.013 4.677 20 0 JJADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908491 721692782 /nfs/dbraw/zinc/69/27/82/721692782.db2.gz ZLQQFYBICZJDCY-NRFANRHFSA-N 1 0 479.909 4.961 20 0 JJADRO FC1(F)CCN(c2cc(Cl)nc(Cc3ccccc3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906650 721698771 /nfs/dbraw/zinc/69/87/71/721698771.db2.gz NZFJKTKIPWRDSM-DEOSSOPVSA-N 1 0 469.967 4.854 20 0 JJADRO FC1(F)CCN(c2nccc(-c3c[nH]c4ccccc34)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906660 721702849 /nfs/dbraw/zinc/70/28/49/721702849.db2.gz OEHCOQOPSYPMCR-RUZDIDTESA-N 1 0 460.532 4.758 20 0 JJADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908598 721712406 /nfs/dbraw/zinc/71/24/06/721712406.db2.gz YGVSTFSDSAIGHY-QHCPKHFHSA-N 1 0 478.971 4.823 20 0 JJADRO FC1(F)CCN(c2ccc(-c3ccccc3Cl)nn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904368 721713657 /nfs/dbraw/zinc/71/36/57/721713657.db2.gz CKHYXSVJGOPIAY-HSZRJFAPSA-N 1 0 455.940 4.930 20 0 JJADRO Fc1cccc(Oc2cncc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164904908 721715595 /nfs/dbraw/zinc/71/55/95/721715595.db2.gz FLDJYOSHOGOLKX-HSZRJFAPSA-N 1 0 455.484 4.541 20 0 JJADRO FC1(F)CCN(c2cccc(OCc3ccccc3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907285 721717931 /nfs/dbraw/zinc/71/79/31/721717931.db2.gz QKWOMYXQSVBGRW-VWLOTQADSA-N 1 0 450.533 4.793 20 0 JJADRO CC(C)(C)c1noc(-c2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2)n1 ZINC001164908904 721720226 /nfs/dbraw/zinc/72/02/26/721720226.db2.gz ZKJUQBWKLIPYOI-DEOSSOPVSA-N 1 0 468.552 4.562 20 0 JJADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906479 721720266 /nfs/dbraw/zinc/72/02/66/721720266.db2.gz MHYNGSUQWOQNKB-JOCHJYFZSA-N 1 0 460.960 4.798 20 0 JJADRO Fc1ccc(Oc2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164910554 721728829 /nfs/dbraw/zinc/72/88/29/721728829.db2.gz FXNUVAIPKQCIEB-QHCPKHFHSA-N 1 0 455.484 4.541 20 0 JJADRO Fc1cccc(F)c1-c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164913732 721730111 /nfs/dbraw/zinc/73/01/11/721730111.db2.gz XDDRNBMSTBVWPG-HSZRJFAPSA-N 1 0 457.475 4.555 20 0 JJADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccc(F)cc3)nc3ccc(Cl)cc32)CC1 ZINC001165010175 721734168 /nfs/dbraw/zinc/73/41/68/721734168.db2.gz DUAAPWVXARYEGO-UHFFFAOYSA-N 1 0 482.003 4.612 20 0 JJADRO CC(C)(C)OC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164913067 721734930 /nfs/dbraw/zinc/73/49/30/721734930.db2.gz RWHKDKJLZABWSD-QHCPKHFHSA-N 1 0 478.971 4.823 20 0 JJADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164911783 721735593 /nfs/dbraw/zinc/73/55/93/721735593.db2.gz KJDUGVMXDBTXFX-DEOSSOPVSA-N 1 0 453.512 4.724 20 0 JJADRO FC1(F)CCN(c2c(Cl)nc(Cl)nc2C2CC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909101 721737016 /nfs/dbraw/zinc/73/70/16/721737016.db2.gz BGLTYIJWVQBECV-HXUWFJFHSA-N 1 0 454.352 4.794 20 0 JJADRO FC1(F)CCN(c2c(Cl)nnc(Cl)c2N2CCCCC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912919 721739181 /nfs/dbraw/zinc/73/91/81/721739181.db2.gz RFDJPBCEWOWDFV-JOCHJYFZSA-N 1 0 497.421 4.906 20 0 JJADRO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165013956 721767164 /nfs/dbraw/zinc/76/71/64/721767164.db2.gz BUEBQURJHGLBOY-UHFFFAOYSA-N 1 0 452.852 4.735 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@H]21 ZINC001165019537 721801950 /nfs/dbraw/zinc/80/19/50/721801950.db2.gz CWPRSWNJBGATQC-LDQXTDLNSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@H]21 ZINC001165018821 721805384 /nfs/dbraw/zinc/80/53/84/721805384.db2.gz CKBXYFVIUIHVAN-ZWDAVXSWSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@H]21 ZINC001165026960 721805387 /nfs/dbraw/zinc/80/53/87/721805387.db2.gz SYDGXKIHUSFJFJ-FTBPSBKWSA-N 1 0 490.051 4.797 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@@H]21 ZINC001165026961 721805516 /nfs/dbraw/zinc/80/55/16/721805516.db2.gz SYDGXKIHUSFJFJ-GVXSCFBNSA-N 1 0 490.051 4.797 20 0 JJADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026442 721809287 /nfs/dbraw/zinc/80/92/87/721809287.db2.gz QIKQIYKLAXUDNF-VLCRHTCISA-N 1 0 477.634 4.514 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@H]21 ZINC001165022559 721814460 /nfs/dbraw/zinc/81/44/60/721814460.db2.gz FZCFNUBTIOAEFG-LPPUWEFUSA-N 1 0 470.596 4.751 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@H]21 ZINC001165025959 721816621 /nfs/dbraw/zinc/81/66/21/721816621.db2.gz OMUGZPXQEQDZDG-UCNVEGJOSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C[C@@H]21 ZINC001165018825 721818097 /nfs/dbraw/zinc/81/80/97/721818097.db2.gz AOIJOWQRGIGYQP-TYCQWZJGSA-N 1 0 468.964 4.588 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@H]21 ZINC001165026731 721825558 /nfs/dbraw/zinc/82/55/58/721825558.db2.gz PWLWYZKOQDORAS-LDQXTDLNSA-N 1 0 457.956 4.960 20 0 JJADRO COc1ccc2nc(C(F)(F)N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc(Cl)c2c1 ZINC001165026757 721825991 /nfs/dbraw/zinc/82/59/91/721825991.db2.gz QAUCNCRGQLDMRH-SAWYMBPVSA-N 1 0 487.982 4.969 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)nc4sccc43)C[C@H]21 ZINC001165027083 721828815 /nfs/dbraw/zinc/82/88/15/721828815.db2.gz RUGCMWYNVGFDJB-WWPVKYPJSA-N 1 0 456.619 4.885 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@@H]21 ZINC001165028227 721830213 /nfs/dbraw/zinc/83/02/13/721830213.db2.gz UYXRHOYFFAASPN-IMFGXOCKSA-N 1 0 479.959 4.504 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001165021228 721841690 /nfs/dbraw/zinc/84/16/90/721841690.db2.gz IQFUZKWSYCOMRI-UHFFFAOYSA-N 1 0 489.595 4.737 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc(Oc3ccc(F)cc3)n2)CC1 ZINC001165022704 721842047 /nfs/dbraw/zinc/84/20/47/721842047.db2.gz SJBBPZQGDYNBGN-UHFFFAOYSA-N 1 0 487.963 4.574 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934410 721879754 /nfs/dbraw/zinc/87/97/54/721879754.db2.gz RLNLGODVTXKLMM-NHCUHLMSSA-N 1 0 479.719 4.687 20 0 JJADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164931143 721890333 /nfs/dbraw/zinc/89/03/33/721890333.db2.gz DBYBLFPKFVNCOB-OALUTQOASA-N 1 0 489.920 4.575 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccnc4C4SCCCS4)CC3)C2)cc1 ZINC001164938936 721924222 /nfs/dbraw/zinc/92/42/22/721924222.db2.gz CINMCRNNHQWDER-UHFFFAOYSA-N 1 0 456.681 4.525 20 0 JJADRO CCOc1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nn2)cc1 ZINC001164939666 721931997 /nfs/dbraw/zinc/93/19/97/721931997.db2.gz NUAFVMKFJUONPQ-UHFFFAOYSA-N 1 0 458.606 4.722 20 0 JJADRO CCOC(=O)c1sc2nc(Cc3ccccc3OC)nc(N3CCC(C[NH+](C)C)CC3)c2c1C ZINC001165044548 721949384 /nfs/dbraw/zinc/94/93/84/721949384.db2.gz DUOJRXPXQUOLOG-UHFFFAOYSA-N 1 0 482.650 4.554 20 0 JJADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164962721 722022828 /nfs/dbraw/zinc/02/28/28/722022828.db2.gz RNHKAKVRQQEEOA-XMMPIXPASA-N 1 0 467.976 4.812 20 0 JJADRO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nc(-c4cnccn4)nc4sc5c(c42)CCCC5)CC3)c1 ZINC001164964177 722023294 /nfs/dbraw/zinc/02/32/94/722023294.db2.gz VSEHFPWXSDVMNJ-UHFFFAOYSA-N 1 0 497.672 4.915 20 0 JJADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164959940 722024502 /nfs/dbraw/zinc/02/45/02/722024502.db2.gz JUHIPAUXYZMTAR-UHFFFAOYSA-N 1 0 453.949 4.949 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)nc1 ZINC001164963586 722038761 /nfs/dbraw/zinc/03/87/61/722038761.db2.gz QOEHEDZMSPBKJR-AFLFNGORSA-N 1 0 452.668 4.511 20 0 JJADRO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961745 722059969 /nfs/dbraw/zinc/05/99/69/722059969.db2.gz OSEJWYIYPNYJFI-QHCPKHFHSA-N 1 0 486.664 4.523 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(COCc4cncc(C)c4)cnc3[C@H]2C)nc1 ZINC001164965028 722063428 /nfs/dbraw/zinc/06/34/28/722063428.db2.gz IDFHEYPJQSAJIF-PXDATVDWSA-N 1 0 460.626 4.826 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980445 722125829 /nfs/dbraw/zinc/12/58/29/722125829.db2.gz REWDLKSZGNYJJL-AJTFRIOCSA-N 1 0 483.591 4.867 20 0 JJADRO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975193 722131006 /nfs/dbraw/zinc/13/10/06/722131006.db2.gz FKCAVJHFHPOTAZ-UGKGYDQZSA-N 1 0 458.940 4.555 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164973215 722141516 /nfs/dbraw/zinc/14/15/16/722141516.db2.gz BNVAKLATDQXLAJ-CTNGQTDRSA-N 1 0 477.659 4.851 20 0 JJADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976032 722143416 /nfs/dbraw/zinc/14/34/16/722143416.db2.gz GRIIOCHNLCRHOA-FXAWDEMLSA-N 1 0 491.995 4.526 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)s1 ZINC001164984258 722145979 /nfs/dbraw/zinc/14/59/79/722145979.db2.gz XATMAUYURSOCBL-ZJSXRUAMSA-N 1 0 471.630 4.789 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164984950 722147268 /nfs/dbraw/zinc/14/72/68/722147268.db2.gz YLOFOTDLRQEFJS-UKILVPOCSA-N 1 0 483.641 4.994 20 0 JJADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973980 722155661 /nfs/dbraw/zinc/15/56/61/722155661.db2.gz NUYBPVHSNNGFMV-QPPBQGQZSA-N 1 0 480.012 4.607 20 0 JJADRO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)CC[C@H]32)cs1 ZINC001164992704 722183431 /nfs/dbraw/zinc/18/34/31/722183431.db2.gz SZMDBLRNPJSGLX-FTJBHMTQSA-N 1 0 473.646 4.719 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1 ZINC001164992375 722186310 /nfs/dbraw/zinc/18/63/10/722186310.db2.gz WECIGBLAMSKCLR-DSITVLBTSA-N 1 0 469.699 4.653 20 0 JJADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995962 722204814 /nfs/dbraw/zinc/20/48/14/722204814.db2.gz QMRCDGSOKQAWGU-MHZLTWQESA-N 1 0 484.616 4.742 20 0 JJADRO COc1ccc(Cn2cc3[nH]c(N4CCC[C@@]5(CC[N@@H+]5Cc5cccc(F)c5)C4)ccc-3c2=O)cc1 ZINC001164997297 722207300 /nfs/dbraw/zinc/20/73/00/722207300.db2.gz YVFILQFHLJILLQ-GDLZYMKVSA-N 1 0 486.591 4.630 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccc(F)cc3)nc3cc(Cl)ccc31)CCC2 ZINC001165002722 722254648 /nfs/dbraw/zinc/25/46/48/722254648.db2.gz UDEXOYCBOZEBRC-UHFFFAOYSA-N 1 0 495.002 4.774 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1C ZINC001165003404 722256426 /nfs/dbraw/zinc/25/64/26/722256426.db2.gz CBVIGDPSKCAGQV-UHFFFAOYSA-N 1 0 482.679 4.722 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](OCc4csc(C)n4)CO3)CC2)nc1 ZINC001165009041 722273227 /nfs/dbraw/zinc/27/32/27/722273227.db2.gz NIXCOXRSQSEIDU-XZOQPEGZSA-N 1 0 456.656 4.738 20 0 JJADRO CC(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359712487 1064261040 /nfs/dbraw/zinc/26/10/40/1064261040.db2.gz VCKGXHIVJDSZJD-IFMALSPDSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001359712574 1064261579 /nfs/dbraw/zinc/26/15/79/1064261579.db2.gz YXBSQPFPWJLSEK-UHFFFAOYSA-N 1 0 478.607 4.510 20 0 JJADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850853 1064261622 /nfs/dbraw/zinc/26/16/22/1064261622.db2.gz SAXUWBMZFTZMMJ-PXDATVDWSA-N 1 0 450.966 4.745 20 0 JJADRO CC(C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359714850 1064262758 /nfs/dbraw/zinc/26/27/58/1064262758.db2.gz JJRQGIAGHWYOEO-QHCPKHFHSA-N 1 0 482.673 4.515 20 0 JJADRO CC(C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359714849 1064262865 /nfs/dbraw/zinc/26/28/65/1064262865.db2.gz JJRQGIAGHWYOEO-HSZRJFAPSA-N 1 0 482.673 4.515 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001545855528 1064264595 /nfs/dbraw/zinc/26/45/95/1064264595.db2.gz XHBGHNVYVHLBKW-VWNXMTODSA-N 1 0 480.701 4.701 20 0 JJADRO CC(C)c1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001359715931 1064264767 /nfs/dbraw/zinc/26/47/67/1064264767.db2.gz PRCDTAGYZCEDLF-UHFFFAOYSA-N 1 0 482.982 4.662 20 0 JJADRO CC(C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359716535 1064265252 /nfs/dbraw/zinc/26/52/52/1064265252.db2.gz KSBIPWCHGZKOFN-OAQYLSRUSA-N 1 0 478.607 4.867 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001545857023 1064265400 /nfs/dbraw/zinc/26/54/00/1064265400.db2.gz NCOUGORGMNBUKJ-NHCUHLMSSA-N 1 0 466.674 4.932 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001545857022 1064265431 /nfs/dbraw/zinc/26/54/31/1064265431.db2.gz NCOUGORGMNBUKJ-LEWJYISDSA-N 1 0 466.674 4.932 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCSCc1ccccc1 ZINC001359720056 1064267445 /nfs/dbraw/zinc/26/74/45/1064267445.db2.gz GQKNXCCKOQQERY-UHFFFAOYSA-N 1 0 455.697 4.761 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001545858972 1064267616 /nfs/dbraw/zinc/26/76/16/1064267616.db2.gz AOYXYGFQSYYJKV-XRVDZLCPSA-N 1 0 472.722 4.866 20 0 JJADRO CC(C)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001359723016 1064269790 /nfs/dbraw/zinc/26/97/90/1064269790.db2.gz IKMIDMBTRNDFKW-NRFANRHFSA-N 1 0 477.600 4.845 20 0 JJADRO CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359723218 1064270214 /nfs/dbraw/zinc/27/02/14/1064270214.db2.gz MQFCWRPZFAWWJL-CTNGQTDRSA-N 1 0 461.969 4.668 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001545862701 1064270840 /nfs/dbraw/zinc/27/08/40/1064270840.db2.gz QEUMGRROFHSNFJ-TZIWHRDSSA-N 1 0 472.703 4.577 20 0 JJADRO CCOc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1OCC ZINC001545865093 1064272570 /nfs/dbraw/zinc/27/25/70/1064272570.db2.gz OBVGETIBECQPBY-IBGZPJMESA-N 1 0 452.595 4.517 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545865409 1064272846 /nfs/dbraw/zinc/27/28/46/1064272846.db2.gz AKQJEYSWOBMCOV-YWEHKCAJSA-N 1 0 480.701 4.660 20 0 JJADRO CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359727102 1064273434 /nfs/dbraw/zinc/27/34/34/1064273434.db2.gz IVNMFQVTTAGEAW-FSSWDIPSSA-N 1 0 474.694 4.502 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001545865575 1064273820 /nfs/dbraw/zinc/27/38/20/1064273820.db2.gz GFEJARNOWPPHRN-UHFFFAOYSA-N 1 0 480.701 4.735 20 0 JJADRO CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359727343 1064274264 /nfs/dbraw/zinc/27/42/64/1064274264.db2.gz QJOLHPNXYKWOMF-FKBYEOEOSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001359728661 1064276468 /nfs/dbraw/zinc/27/64/68/1064276468.db2.gz IHUNWYOYZWICON-HXUWFJFHSA-N 1 0 490.490 4.691 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545870052 1064282024 /nfs/dbraw/zinc/28/20/24/1064282024.db2.gz FOFYHLWPFGCJOQ-GOTSBHOMSA-N 1 0 494.728 4.949 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001545870231 1064282895 /nfs/dbraw/zinc/28/28/95/1064282895.db2.gz JHETYALOQGEZKX-VXKWHMMOSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001545870699 1064285226 /nfs/dbraw/zinc/28/52/26/1064285226.db2.gz TZRZHBQUJDHYKB-XZOQPEGZSA-N 1 0 480.701 4.763 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001545870839 1064285995 /nfs/dbraw/zinc/28/59/95/1064285995.db2.gz XZBJFWYZGSOQRA-QPPBQGQZSA-N 1 0 484.664 4.594 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001359732494 1064287130 /nfs/dbraw/zinc/28/71/30/1064287130.db2.gz GAJAXDCIHNHRRA-HSZRJFAPSA-N 1 0 497.728 4.874 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001545872295 1064287828 /nfs/dbraw/zinc/28/78/28/1064287828.db2.gz MAAHPMZTFUMNRL-FQEVSTJZSA-N 1 0 486.730 4.762 20 0 JJADRO CC(C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001359732890 1064288426 /nfs/dbraw/zinc/28/84/26/1064288426.db2.gz NBUPDCGJJPISLF-ILBGXUMGSA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001359734167 1064292492 /nfs/dbraw/zinc/29/24/92/1064292492.db2.gz NRULPWGKZWXBBZ-OAQYLSRUSA-N 1 0 490.490 4.568 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001545875818 1064292664 /nfs/dbraw/zinc/29/26/64/1064292664.db2.gz HLNDORMJMWKVRK-WWNPGLIZSA-N 1 0 490.712 4.816 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCCCC1 ZINC001359734222 1064293121 /nfs/dbraw/zinc/29/31/21/1064293121.db2.gz OPQGFIGUPPGMTG-IBGZPJMESA-N 1 0 463.468 4.925 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1nn(-c2ccccc2Cl)cc1C ZINC001545879855 1064295323 /nfs/dbraw/zinc/29/53/23/1064295323.db2.gz HZCMESFXNZPUTJ-FQEVSTJZSA-N 1 0 452.986 4.666 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC001545879864 1064295376 /nfs/dbraw/zinc/29/53/76/1064295376.db2.gz IHYICXYBOLBHOV-HXUWFJFHSA-N 1 0 453.583 4.705 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC001545880301 1064296675 /nfs/dbraw/zinc/29/66/75/1064296675.db2.gz WOAGXPFOQKZHRO-PGRDOPGGSA-N 1 0 459.428 4.846 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001359737807 1064300253 /nfs/dbraw/zinc/30/02/53/1064300253.db2.gz GVKRVIVRMGZNHY-RUZDIDTESA-N 1 0 496.744 4.805 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C[NH+](C)C ZINC001359737930 1064301040 /nfs/dbraw/zinc/30/10/40/1064301040.db2.gz JLIMAKDYAHPYCH-UXHICEINSA-N 1 0 462.683 4.563 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001545884963 1064302022 /nfs/dbraw/zinc/30/20/22/1064302022.db2.gz JJIOCCRQPLJKQE-XMMPIXPASA-N 1 0 480.701 4.968 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001359739278 1064306474 /nfs/dbraw/zinc/30/64/74/1064306474.db2.gz PEHLQOZSJNZTQQ-LSDHHAIUSA-N 1 0 452.466 4.734 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001359739509 1064307360 /nfs/dbraw/zinc/30/73/60/1064307360.db2.gz VWHYIOOOQAWXTM-DENIHFKCSA-N 1 0 485.474 4.831 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001359739516 1064307851 /nfs/dbraw/zinc/30/78/51/1064307851.db2.gz VWYURFSHAUECOH-SFHVURJKSA-N 1 0 477.495 4.650 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001359739515 1064307917 /nfs/dbraw/zinc/30/79/17/1064307917.db2.gz VWYURFSHAUECOH-GOSISDBHSA-N 1 0 477.495 4.650 20 0 JJADRO CC(C)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359739696 1064308377 /nfs/dbraw/zinc/30/83/77/1064308377.db2.gz BCDITOMYIVQXGF-UHFFFAOYSA-N 1 0 455.647 4.708 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001359740115 1064309126 /nfs/dbraw/zinc/30/91/26/1064309126.db2.gz MOTARBZFGSABTJ-OXQOHEQNSA-N 1 0 464.427 4.669 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCCCC2)C1 ZINC001359743027 1064312671 /nfs/dbraw/zinc/31/26/71/1064312671.db2.gz ZKWVJEOUABEHOG-QHCPKHFHSA-N 1 0 488.721 4.751 20 0 JJADRO CC(C)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001359743541 1064314206 /nfs/dbraw/zinc/31/42/06/1064314206.db2.gz MMOUUOOPXYUYLI-UHFFFAOYSA-N 1 0 487.136 4.668 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001359744218 1064315760 /nfs/dbraw/zinc/31/57/60/1064315760.db2.gz BTCDWGYGOXTICC-OFNKIYASSA-N 1 0 453.656 4.746 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001359744219 1064315824 /nfs/dbraw/zinc/31/58/24/1064315824.db2.gz BTCDWGYGOXTICC-REWPJTCUSA-N 1 0 453.656 4.746 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3sccc3C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001545887156 1064323835 /nfs/dbraw/zinc/32/38/35/1064323835.db2.gz XEILWURWWSJXDN-UHFFFAOYSA-N 1 0 494.709 4.709 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCS1 ZINC001359747476 1064328060 /nfs/dbraw/zinc/32/80/60/1064328060.db2.gz CJMHSLGWGYUOCG-KNQAVFIVSA-N 1 0 496.096 4.552 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001359747553 1064328995 /nfs/dbraw/zinc/32/89/95/1064328995.db2.gz DOLZSHPXGLABHP-CTNGQTDRSA-N 1 0 461.054 4.509 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](C)[NH+]2CCCCC2)CCS1 ZINC001359747583 1064329729 /nfs/dbraw/zinc/32/97/29/1064329729.db2.gz DZCNYAUIWQQPDV-QUCCMNQESA-N 1 0 463.095 4.836 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCC2)CCS1 ZINC001359748151 1064332825 /nfs/dbraw/zinc/33/28/25/1064332825.db2.gz PIAZPODRMUCIPP-IBGZPJMESA-N 1 0 482.467 4.520 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC001359748461 1064334869 /nfs/dbraw/zinc/33/48/69/1064334869.db2.gz WDIMCPNUKFKRIP-NRFANRHFSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001359748630 1064336384 /nfs/dbraw/zinc/33/63/84/1064336384.db2.gz ARMWCFSYFPNANA-VWLOTQADSA-N 1 0 466.674 4.807 20 0 JJADRO CC(C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCS[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001359752795 1064341575 /nfs/dbraw/zinc/34/15/75/1064341575.db2.gz XZVDROWBDXLXRU-DHIUTWEWSA-N 1 0 477.669 4.845 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[C@@H](C)[NH+]2CCCCC2)CCS1 ZINC001359755134 1064347270 /nfs/dbraw/zinc/34/72/70/1064347270.db2.gz SYJZGZSRCWOCPL-VWNXMTODSA-N 1 0 471.715 4.742 20 0 JJADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC(C)(C)NC(=O)OCc1ccccc1 ZINC001434921023 1064349085 /nfs/dbraw/zinc/34/90/85/1064349085.db2.gz VRXKXUNPNYUJPH-UHFFFAOYSA-N 1 0 455.624 4.577 20 0 JJADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001434922996 1064351427 /nfs/dbraw/zinc/35/14/27/1064351427.db2.gz WEWRCFBLERJBKS-UHFFFAOYSA-N 1 0 459.615 4.829 20 0 JJADRO O=C(Nc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1)OCC(F)(F)F ZINC001434923565 1064352111 /nfs/dbraw/zinc/35/21/11/1064352111.db2.gz ZOJIMTUPARMWNY-UHFFFAOYSA-N 1 0 453.486 4.599 20 0 JJADRO CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359756372 1064353260 /nfs/dbraw/zinc/35/32/60/1064353260.db2.gz QGNDNWBYXWYYMZ-UNMCSNQZSA-N 1 0 490.490 4.689 20 0 JJADRO CC(C)C[C@@H](Cn1c(C(C)C)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1)[NH+](C)C ZINC001359764563 1064384388 /nfs/dbraw/zinc/38/43/88/1064384388.db2.gz DSSDBPWFCWNMCS-QHCPKHFHSA-N 1 0 456.654 4.548 20 0 JJADRO CC(C)CC(=O)Nc1cccc(Cn2c(CC3CCCC3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001359764786 1064385420 /nfs/dbraw/zinc/38/54/20/1064385420.db2.gz JKMGESMJGYOBLI-UHFFFAOYSA-N 1 0 466.674 4.574 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2oncc2C1)[NH+](C)C ZINC001359764941 1064385991 /nfs/dbraw/zinc/38/59/91/1064385991.db2.gz MOHCBJUMSXAKHZ-FXAWDEMLSA-N 1 0 473.021 4.599 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(C1)CCOCC2)[NH+](C)C ZINC001359765761 1064388803 /nfs/dbraw/zinc/38/88/03/1064388803.db2.gz BDVHQCAPGAFBHJ-FQEVSTJZSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001359765658 1064388958 /nfs/dbraw/zinc/38/89/58/1064388958.db2.gz AAXPCRRJXDIPPP-HXUWFJFHSA-N 1 0 477.600 4.672 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cscn1)[NH+](C)C ZINC001359765867 1064389466 /nfs/dbraw/zinc/38/94/66/1064389466.db2.gz DGLGRKITLQCCDX-HNNXBMFYSA-N 1 0 483.505 4.838 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001359766414 1064391994 /nfs/dbraw/zinc/39/19/94/1064391994.db2.gz NJRDIGUQFOUWQY-YBZFOXLFSA-N 1 0 483.701 4.603 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+](C)C ZINC001359766598 1064393622 /nfs/dbraw/zinc/39/36/22/1064393622.db2.gz QCCULBDTWSEKKZ-YLJYHZDGSA-N 1 0 487.014 4.648 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccccc1F)[NH+](C)C ZINC001359766633 1064393632 /nfs/dbraw/zinc/39/36/32/1064393632.db2.gz QSHXEPLBUDJRSK-IBGZPJMESA-N 1 0 491.453 4.830 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001359766763 1064393662 /nfs/dbraw/zinc/39/36/62/1064393662.db2.gz UCDVRGZTAAISMI-RUZDIDTESA-N 1 0 494.728 4.668 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001359766764 1064394463 /nfs/dbraw/zinc/39/44/63/1064394463.db2.gz UCDVRGZTAAISMI-VWLOTQADSA-N 1 0 494.728 4.668 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001359766796 1064394555 /nfs/dbraw/zinc/39/45/55/1064394555.db2.gz URDFHZWTPSPMJV-DVECYGJZSA-N 1 0 463.070 4.611 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)[NH+](C)C ZINC001359767038 1064395299 /nfs/dbraw/zinc/39/52/99/1064395299.db2.gz ZMSXZSFTQAZFQJ-FBBABVLZSA-N 1 0 490.574 4.626 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)[NH+](C)C ZINC001359767202 1064396215 /nfs/dbraw/zinc/39/62/15/1064396215.db2.gz CLEVYLKPJDWZEW-XMSQKQJNSA-N 1 0 475.012 4.620 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)[NH+](C)C ZINC001359767200 1064396257 /nfs/dbraw/zinc/39/62/57/1064396257.db2.gz CLEVYLKPJDWZEW-GCJKJVERSA-N 1 0 475.012 4.620 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+](C)C ZINC001359768133 1064397129 /nfs/dbraw/zinc/39/71/29/1064397129.db2.gz UWWUXZHDPWZWRT-QPPBQGQZSA-N 1 0 463.674 4.980 20 0 JJADRO CC[C@H](C)c1nc(C)c(CC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c(C)n1 ZINC001434980608 1064397269 /nfs/dbraw/zinc/39/72/69/1064397269.db2.gz BWSVTORETCFLHO-SFHVURJKSA-N 1 0 451.615 4.603 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2ccc(SC(F)(F)F)nc2)c1 ZINC001434980943 1064397998 /nfs/dbraw/zinc/39/79/98/1064397998.db2.gz KFZOLKBDGUEUSG-UHFFFAOYSA-N 1 0 452.502 4.760 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCC1)[NH+](C)C ZINC001359768920 1064398874 /nfs/dbraw/zinc/39/88/74/1064398874.db2.gz HOHWGOQPNFFIRV-QFIPXVFZSA-N 1 0 476.710 4.605 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1F)C1CC1)[NH+](C)C ZINC001359769143 1064399155 /nfs/dbraw/zinc/39/91/55/1064399155.db2.gz LAKLVXCZPNSCMZ-SIKLNZKXSA-N 1 0 461.601 4.596 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001359769530 1064400115 /nfs/dbraw/zinc/40/01/15/1064400115.db2.gz QSAXBSFPXIPQRB-JKSUJKDBSA-N 1 0 485.517 4.817 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1)[NH+](C)C ZINC001359769847 1064400181 /nfs/dbraw/zinc/40/01/81/1064400181.db2.gz VRLMIUVJKVFYDW-JRRMTSHWSA-N 1 0 494.700 4.553 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)[NH+](C)C ZINC001359770223 1064400777 /nfs/dbraw/zinc/40/07/77/1064400777.db2.gz BITACEWKLKOCLZ-LVCYWYKZSA-N 1 0 470.514 4.927 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC001359770497 1064401935 /nfs/dbraw/zinc/40/19/35/1064401935.db2.gz GQDUCJMGFZCXIF-FQEVSTJZSA-N 1 0 459.013 4.669 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1)[NH+](C)C ZINC001359770757 1064402633 /nfs/dbraw/zinc/40/26/33/1064402633.db2.gz LIBCDUWHPCCAGZ-QUCCMNQESA-N 1 0 481.582 4.995 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1)[NH+](C)C ZINC001359770667 1064402658 /nfs/dbraw/zinc/40/26/58/1064402658.db2.gz JSMHLDLNPDHCPG-FQEVSTJZSA-N 1 0 471.024 4.595 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001359771028 1064403505 /nfs/dbraw/zinc/40/35/05/1064403505.db2.gz PJCGUVXJNJEOBP-NHCUHLMSSA-N 1 0 485.702 4.797 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001359771027 1064403613 /nfs/dbraw/zinc/40/36/13/1064403613.db2.gz PJCGUVXJNJEOBP-LEWJYISDSA-N 1 0 485.702 4.797 20 0 JJADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359771355 1064404273 /nfs/dbraw/zinc/40/42/73/1064404273.db2.gz VGBJQYBTXPPAAS-VXKWHMMOSA-N 1 0 492.753 4.926 20 0 JJADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359771353 1064404324 /nfs/dbraw/zinc/40/43/24/1064404324.db2.gz VGBJQYBTXPPAAS-FCHUYYIVSA-N 1 0 492.753 4.926 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1)[NH+](C)C ZINC001359771511 1064405171 /nfs/dbraw/zinc/40/51/71/1064405171.db2.gz YRXBKVVLXMQBGM-FCHUYYIVSA-N 1 0 483.060 4.551 20 0 JJADRO CC(C)C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1cccc(F)c1)[NH+](C)C ZINC001359771657 1064406062 /nfs/dbraw/zinc/40/60/62/1064406062.db2.gz ASDUFQRHKGRTOC-FCHUYYIVSA-N 1 0 498.672 4.727 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001359771816 1064406812 /nfs/dbraw/zinc/40/68/12/1064406812.db2.gz DWNJOQPHHMBMIA-GMAHTHKFSA-N 1 0 486.064 4.562 20 0 JJADRO Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001434990649 1064406817 /nfs/dbraw/zinc/40/68/17/1064406817.db2.gz WOIGKKWDUBSIHF-JWQCQUIFSA-N 1 0 480.674 4.884 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001359772247 1064407185 /nfs/dbraw/zinc/40/71/85/1064407185.db2.gz MAHMBKRHDTZYBL-IEBWSBKVSA-N 1 0 471.543 4.751 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1)[NH+](C)C ZINC001359772345 1064408189 /nfs/dbraw/zinc/40/81/89/1064408189.db2.gz NUUVTTOMYKGUJX-FYYLOGMGSA-N 1 0 490.092 4.740 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC001359772363 1064408213 /nfs/dbraw/zinc/40/82/13/1064408213.db2.gz OAQVJRCNXIQXPV-MBDNFAEBSA-N 1 0 476.710 4.809 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)C)C1)[NH+](C)C ZINC001359772384 1064408340 /nfs/dbraw/zinc/40/83/40/1064408340.db2.gz OPROTKYLQHRBSK-NOZRDPDXSA-N 1 0 485.717 4.992 20 0 JJADRO CC(C)C[C@H](Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1)[NH+](C)C ZINC001359772532 1064409030 /nfs/dbraw/zinc/40/90/30/1064409030.db2.gz RGXVAOIYRMHMLO-OAQYLSRUSA-N 1 0 493.618 4.618 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccccc1F)[NH+](C)C ZINC001359772710 1064409048 /nfs/dbraw/zinc/40/90/48/1064409048.db2.gz UULANBSCIVOJBL-CQOQZXRMSA-N 1 0 473.681 4.991 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C)[NH+](C)C ZINC001359772812 1064409919 /nfs/dbraw/zinc/40/99/19/1064409919.db2.gz WQECYRZNCJOZDT-FSSWDIPSSA-N 1 0 476.710 4.951 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359775132 1064417031 /nfs/dbraw/zinc/41/70/31/1064417031.db2.gz JEJOREFZRSRTAB-QXOCJUHTSA-N 1 0 459.704 4.532 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359776354 1064419798 /nfs/dbraw/zinc/41/97/98/1064419798.db2.gz IIOAWTFWDCVXFG-SIKLNZKXSA-N 1 0 498.510 4.823 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC(F)(F)Br ZINC001359777286 1064420501 /nfs/dbraw/zinc/42/05/01/1064420501.db2.gz FXMCQRSYZMYNSX-PKOBYXMFSA-N 1 0 484.433 4.954 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001359777404 1064421242 /nfs/dbraw/zinc/42/12/42/1064421242.db2.gz JGEUKUAQSLEVTP-TZBSWOFLSA-N 1 0 453.675 4.781 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359777434 1064421388 /nfs/dbraw/zinc/42/13/88/1064421388.db2.gz JYMFQZXXMQEMHM-UKILVPOCSA-N 1 0 452.691 4.704 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359780203 1064428654 /nfs/dbraw/zinc/42/86/54/1064428654.db2.gz NLGYBRJQEGSHSH-QZTJIDSGSA-N 1 0 485.570 4.770 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001359786322 1064439685 /nfs/dbraw/zinc/43/96/85/1064439685.db2.gz SSCATAFUFQLPNO-QFIPXVFZSA-N 1 0 467.702 4.887 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001359788957 1064444930 /nfs/dbraw/zinc/44/49/30/1064444930.db2.gz KOXONXFVFSNKAK-TUSQITKMSA-N 1 0 453.675 4.675 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359792751 1064449993 /nfs/dbraw/zinc/44/99/93/1064449993.db2.gz PBRFBVFCAHUICZ-PIATZUFCSA-N 1 0 453.675 4.747 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359794388 1064452490 /nfs/dbraw/zinc/45/24/90/1064452490.db2.gz WTWZYTFNMLCACG-ACIOBRDBSA-N 1 0 493.618 4.935 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001545888336 1064452493 /nfs/dbraw/zinc/45/24/93/1064452493.db2.gz IBBKRFQPECJVMN-UHFFFAOYSA-N 1 0 487.092 4.677 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359805698 1064475253 /nfs/dbraw/zinc/47/52/53/1064475253.db2.gz QCFPMHOXEFCPMQ-UHFFFAOYSA-N 1 0 455.594 4.765 20 0 JJADRO CC(C)c1nccn1Cc1cccc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c1 ZINC001435057775 1064476206 /nfs/dbraw/zinc/47/62/06/1064476206.db2.gz VRSMWYLMVJYGSW-UHFFFAOYSA-N 1 0 456.594 4.732 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001359807664 1064478217 /nfs/dbraw/zinc/47/82/17/1064478217.db2.gz AQGDVNLQYZUNIG-NDEPHWFRSA-N 1 0 467.702 4.766 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC[C@@](C)(O)c1ccccc1 ZINC001359808214 1064479896 /nfs/dbraw/zinc/47/98/96/1064479896.db2.gz JZLQOYUZMXFZEZ-MUUNZHRXSA-N 1 0 467.702 4.867 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359808571 1064480894 /nfs/dbraw/zinc/48/08/94/1064480894.db2.gz PNYGRIGPKKMNGS-FPOVZHCZSA-N 1 0 490.718 4.534 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001359808882 1064481762 /nfs/dbraw/zinc/48/17/62/1064481762.db2.gz ZFEKSVYTMIXKHJ-UHFFFAOYSA-N 1 0 490.737 4.824 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001435064360 1064483478 /nfs/dbraw/zinc/48/34/78/1064483478.db2.gz NZKUMEHPWJYRRW-LJQANCHMSA-N 1 0 452.039 4.658 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C/C=C/c1ccccc1 ZINC001359809411 1064483515 /nfs/dbraw/zinc/48/35/15/1064483515.db2.gz PDDABXYPQKRKJX-VOHXMDJUSA-N 1 0 451.659 4.516 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1ccc(Cl)cc1F ZINC001359809358 1064483536 /nfs/dbraw/zinc/48/35/36/1064483536.db2.gz NXCFWGFXUUIYBL-KDURUIRLSA-N 1 0 478.056 4.643 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435065651 1064485189 /nfs/dbraw/zinc/48/51/89/1064485189.db2.gz PNJRWKOMYKBLDI-HSZRJFAPSA-N 1 0 456.030 4.563 20 0 JJADRO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359811126 1064485984 /nfs/dbraw/zinc/48/59/84/1064485984.db2.gz DXYFQYCOMWMPIA-BGYRXZFFSA-N 1 0 462.086 4.536 20 0 JJADRO CN(C)c1cc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc(Cl)n1 ZINC001435067616 1064488377 /nfs/dbraw/zinc/48/83/77/1064488377.db2.gz WROAEPHAYRBZKY-UHFFFAOYSA-N 1 0 455.817 4.846 20 0 JJADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359812576 1064489338 /nfs/dbraw/zinc/48/93/38/1064489338.db2.gz OIWIZPWQFWULAN-OAQYLSRUSA-N 1 0 498.691 4.525 20 0 JJADRO CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001359814532 1064491900 /nfs/dbraw/zinc/49/19/00/1064491900.db2.gz JFBBDADIQACYBS-UHFFFAOYSA-N 1 0 499.679 4.671 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359817830 1064500496 /nfs/dbraw/zinc/50/04/96/1064500496.db2.gz LTHNGANOQYCXED-QHCPKHFHSA-N 1 0 451.615 4.558 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359830138 1064511940 /nfs/dbraw/zinc/51/19/40/1064511940.db2.gz COHREOUYSWJOJR-GMAHTHKFSA-N 1 0 463.674 4.724 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359830048 1064511957 /nfs/dbraw/zinc/51/19/57/1064511957.db2.gz CIFFBGCSKJGHFA-FCHUYYIVSA-N 1 0 471.694 4.878 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359830049 1064512059 /nfs/dbraw/zinc/51/20/59/1064512059.db2.gz CIFFBGCSKJGHFA-FGZHOGPDSA-N 1 0 471.694 4.878 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359830137 1064512145 /nfs/dbraw/zinc/51/21/45/1064512145.db2.gz COHREOUYSWJOJR-GGAORHGYSA-N 1 0 463.674 4.724 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001359832184 1064515419 /nfs/dbraw/zinc/51/54/19/1064515419.db2.gz GJSKWGGSAODGPX-PRVBGKCFSA-N 1 0 467.702 4.865 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001359832702 1064516372 /nfs/dbraw/zinc/51/63/72/1064516372.db2.gz NSBZBFGRKBOLTI-LEWJYISDSA-N 1 0 489.590 4.836 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359832979 1064517236 /nfs/dbraw/zinc/51/72/36/1064517236.db2.gz RQFCALBJQLHYTG-FCHUYYIVSA-N 1 0 476.710 4.577 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359834322 1064520042 /nfs/dbraw/zinc/52/00/42/1064520042.db2.gz APTJHMRKUJPXTF-UFYCRDLUSA-N 1 0 473.628 4.781 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359834320 1064520258 /nfs/dbraw/zinc/52/02/58/1064520258.db2.gz APTJHMRKUJPXTF-AQNXPRMDSA-N 1 0 473.628 4.781 20 0 JJADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359840856 1064527445 /nfs/dbraw/zinc/52/74/45/1064527445.db2.gz SRNLRGAYZCAXBQ-UHFFFAOYSA-N 1 0 498.691 4.623 20 0 JJADRO COc1cc(C)c([C@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1OC ZINC001435123073 1064529088 /nfs/dbraw/zinc/52/90/88/1064529088.db2.gz MFXBSAFKAFYHFD-VLCRHTCISA-N 1 0 465.619 4.562 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC001435127250 1064532821 /nfs/dbraw/zinc/53/28/21/1064532821.db2.gz POXRJXNFRSMILB-KRWDZBQOSA-N 1 0 450.501 4.561 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC001435130572 1064535574 /nfs/dbraw/zinc/53/55/74/1064535574.db2.gz BCTWTZCGSIFLNQ-REWPJTCUSA-N 1 0 452.599 4.506 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359849840 1064536059 /nfs/dbraw/zinc/53/60/59/1064536059.db2.gz OVODQOGJCJKINE-OYRHEFFESA-N 1 0 488.671 4.838 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)[C@H](C)C1 ZINC001435134464 1064538203 /nfs/dbraw/zinc/53/82/03/1064538203.db2.gz OZSIEDKFLJKZLP-WZONZLPQSA-N 1 0 459.034 4.578 20 0 JJADRO CCCCc1ccc(N2C[C@@H](C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)CC2=O)cc1 ZINC001359851219 1064538500 /nfs/dbraw/zinc/53/85/00/1064538500.db2.gz HXYQFRDKGRTHOG-QFIPXVFZSA-N 1 0 456.030 4.626 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359851815 1064538885 /nfs/dbraw/zinc/53/88/85/1064538885.db2.gz FZUCVNUHZUPXFX-NHCUHLMSSA-N 1 0 492.634 4.942 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359852889 1064540591 /nfs/dbraw/zinc/54/05/91/1064540591.db2.gz YUNJAGCNJGHEEM-WMZHIEFXSA-N 1 0 470.662 4.695 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359852887 1064540656 /nfs/dbraw/zinc/54/06/56/1064540656.db2.gz YUNJAGCNJGHEEM-AUSIDOKSSA-N 1 0 470.662 4.695 20 0 JJADRO CN1C(=O)C[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@@H]1c1cccc(Cl)c1 ZINC001435140941 1064541619 /nfs/dbraw/zinc/54/16/19/1064541619.db2.gz YJDWEGMBWYWBGC-ZCYQVOJMSA-N 1 0 454.014 4.552 20 0 JJADRO C[S@@](=O)c1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1F ZINC001435142235 1064542405 /nfs/dbraw/zinc/54/24/05/1064542405.db2.gz MSCXSFZUSGKSDB-CWCNGCKHSA-N 1 0 450.579 4.592 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001359855563 1064543160 /nfs/dbraw/zinc/54/31/60/1064543160.db2.gz QBBAUYWNIRAFKC-UHFFFAOYSA-N 1 0 494.515 4.991 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359859515 1064548239 /nfs/dbraw/zinc/54/82/39/1064548239.db2.gz DTCAYARBKPZTGJ-UHFFFAOYSA-N 1 0 496.622 4.614 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359861311 1064551015 /nfs/dbraw/zinc/55/10/15/1064551015.db2.gz QYFFJEMZEOMVBW-JTHBVZDNSA-N 1 0 475.628 4.548 20 0 JJADRO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359861377 1064552241 /nfs/dbraw/zinc/55/22/41/1064552241.db2.gz TVTPFGAOAYRXCB-DHIUTWEWSA-N 1 0 487.136 4.820 20 0 JJADRO Cc1c2occ(CC(=O)Nc3ccc(NC(=O)NC4CC[NH+](C)CC4)cc3)c2ccc1Cl ZINC001435155550 1064553131 /nfs/dbraw/zinc/55/31/31/1064553131.db2.gz WQXDETQFDLSRTR-UHFFFAOYSA-N 1 0 454.958 4.792 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359865400 1064555223 /nfs/dbraw/zinc/55/52/23/1064555223.db2.gz DVCPXCWODCSKDR-FGZHOGPDSA-N 1 0 492.506 4.793 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001359866297 1064556899 /nfs/dbraw/zinc/55/68/99/1064556899.db2.gz OUXPAZVQJXUFPD-KNQAVFIVSA-N 1 0 490.490 4.549 20 0 JJADRO C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001435162746 1064558942 /nfs/dbraw/zinc/55/89/42/1064558942.db2.gz HIPZEBCEPXHWJB-NHCUHLMSSA-N 1 0 451.611 4.789 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359866814 1064559086 /nfs/dbraw/zinc/55/90/86/1064559086.db2.gz ZZRHNWAMOHJBHI-QTEQDKRBSA-N 1 0 491.627 4.776 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359869262 1064561677 /nfs/dbraw/zinc/56/16/77/1064561677.db2.gz VJAJYXKTKSADBU-HXUWFJFHSA-N 1 0 488.746 4.931 20 0 JJADRO CC(C)Cc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359872337 1064563753 /nfs/dbraw/zinc/56/37/53/1064563753.db2.gz BNPLFCKMISTYOP-UXHICEINSA-N 1 0 451.750 4.559 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001435168802 1064564848 /nfs/dbraw/zinc/56/48/48/1064564848.db2.gz CHPUOXQYGZBELW-PQNGQFLHSA-N 1 0 475.555 4.828 20 0 JJADRO CC1CCC([NH+]2CCN(C(=O)c3cc(COc4c(Cl)cccc4Cl)on3)CC2)CC1 ZINC001435170927 1064565764 /nfs/dbraw/zinc/56/57/64/1064565764.db2.gz UIYGJRWDOOSFCS-UHFFFAOYSA-N 1 0 452.382 4.897 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001359879076 1064570680 /nfs/dbraw/zinc/57/06/80/1064570680.db2.gz OYKKQSJDLNPTJW-CLCZQPDDSA-N 1 0 475.722 4.559 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359879360 1064572387 /nfs/dbraw/zinc/57/23/87/1064572387.db2.gz UOSHJMUTSYXBEL-LLGBQNBKSA-N 1 0 475.722 4.702 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359879358 1064572473 /nfs/dbraw/zinc/57/24/73/1064572473.db2.gz UOSHJMUTSYXBEL-CAKYRVLISA-N 1 0 475.722 4.702 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)C1 ZINC001359885439 1064580144 /nfs/dbraw/zinc/58/01/44/1064580144.db2.gz ARYKEOLDQAUZKP-IBGZPJMESA-N 1 0 478.479 4.832 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001359886599 1064582373 /nfs/dbraw/zinc/58/23/73/1064582373.db2.gz NUMKUAUNBWYGNN-OAQYLSRUSA-N 1 0 490.092 4.618 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001359887036 1064582884 /nfs/dbraw/zinc/58/28/84/1064582884.db2.gz RURDIXAMMPJOHC-FCHUYYIVSA-N 1 0 457.638 4.991 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001435196276 1064584583 /nfs/dbraw/zinc/58/45/83/1064584583.db2.gz RCUHJJMIBNDTQQ-RBUKOAKNSA-N 1 0 457.537 4.604 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001435196275 1064584732 /nfs/dbraw/zinc/58/47/32/1064584732.db2.gz RCUHJJMIBNDTQQ-OALUTQOASA-N 1 0 457.537 4.604 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359889211 1064587349 /nfs/dbraw/zinc/58/73/49/1064587349.db2.gz MWFOUJMNAOPZGV-DEOSSOPVSA-N 1 0 492.506 4.815 20 0 JJADRO CC(C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001359901775 1064611327 /nfs/dbraw/zinc/61/13/27/1064611327.db2.gz CSSNJQGFERTMMO-DEOSSOPVSA-N 1 0 453.675 4.980 20 0 JJADRO CC(C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001359901776 1064611345 /nfs/dbraw/zinc/61/13/45/1064611345.db2.gz CSSNJQGFERTMMO-XMMPIXPASA-N 1 0 453.675 4.980 20 0 JJADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001359903605 1064618018 /nfs/dbraw/zinc/61/80/18/1064618018.db2.gz FWISWCRIHMKALX-JWQCQUIFSA-N 1 0 475.658 4.714 20 0 JJADRO C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc21 ZINC001435238487 1064617974 /nfs/dbraw/zinc/61/79/74/1064617974.db2.gz QJLAKIPSJROAGS-QFIPXVFZSA-N 1 0 450.583 4.798 20 0 JJADRO CC(C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001359907613 1064623959 /nfs/dbraw/zinc/62/39/59/1064623959.db2.gz IYNMDCGPDHSDJZ-JOCHJYFZSA-N 1 0 474.694 4.503 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)[C@@H](C)C1 ZINC001435249706 1064626654 /nfs/dbraw/zinc/62/66/54/1064626654.db2.gz XVTFTPCPHZPQSH-HRAATJIYSA-N 1 0 458.400 4.504 20 0 JJADRO COC(=O)Nc1ccc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001435253232 1064630254 /nfs/dbraw/zinc/63/02/54/1064630254.db2.gz NDRQGQPRYGBGKI-RRPNLBNLSA-N 1 0 471.601 4.748 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+](C)C1CCCCC1 ZINC001359914975 1064635596 /nfs/dbraw/zinc/63/55/96/1064635596.db2.gz SDJQSKHEGHEDFW-UHFFFAOYSA-N 1 0 451.457 4.783 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359917720 1064640032 /nfs/dbraw/zinc/64/00/32/1064640032.db2.gz LQASHIBKMUZDNK-SFTDATJTSA-N 1 0 479.673 4.834 20 0 JJADRO CC(C)CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC[NH+]1CCCCC1 ZINC001359921771 1064648721 /nfs/dbraw/zinc/64/87/21/1064648721.db2.gz UICQMVHZVQSVBW-UHFFFAOYSA-N 1 0 464.452 4.588 20 0 JJADRO O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001435301272 1064676076 /nfs/dbraw/zinc/67/60/76/1064676076.db2.gz MARNTPZKXICWTM-IAGOWNOFSA-N 1 0 465.566 4.798 20 0 JJADRO CCOC(=O)N1[C@H](C(=O)N2CC[NH+]([C@H](CC)c3ccccc3)CC2)CC[C@H]1c1ccc(C)o1 ZINC001435308993 1064683413 /nfs/dbraw/zinc/68/34/13/1064683413.db2.gz FXWCLLLLGJTZTR-VJBWXMMDSA-N 1 0 453.583 4.546 20 0 JJADRO Cc1nc(CC2CC2)sc1C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435315820 1064688510 /nfs/dbraw/zinc/68/85/10/1064688510.db2.gz JMCQROHZTPZHKX-LJQANCHMSA-N 1 0 451.558 4.931 20 0 JJADRO COc1cccc(CC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1Cl ZINC001435316463 1064689133 /nfs/dbraw/zinc/68/91/33/1064689133.db2.gz OBCQZBUFPJQATP-SFHVURJKSA-N 1 0 454.920 4.804 20 0 JJADRO COc1cccc(CC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1Cl ZINC001435316461 1064689182 /nfs/dbraw/zinc/68/91/82/1064689182.db2.gz OBCQZBUFPJQATP-GOSISDBHSA-N 1 0 454.920 4.804 20 0 JJADRO CC(C)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)C1CCC(C)CC1 ZINC001359944480 1064691615 /nfs/dbraw/zinc/69/16/15/1064691615.db2.gz UWVGCDRNBJIXHN-UHFFFAOYSA-N 1 0 452.691 4.704 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001359947512 1064696595 /nfs/dbraw/zinc/69/65/95/1064696595.db2.gz AJIVMBDHZRJKHQ-HMXCVIKNSA-N 1 0 471.612 4.565 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001359947796 1064697801 /nfs/dbraw/zinc/69/78/01/1064697801.db2.gz DLDPKTSGGFXGEM-QHCPKHFHSA-N 1 0 490.737 4.680 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccn3C)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001359947916 1064698658 /nfs/dbraw/zinc/69/86/58/1064698658.db2.gz GSQAHDNXQXKYCJ-UHFFFAOYSA-N 1 0 464.580 4.741 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001359948288 1064699322 /nfs/dbraw/zinc/69/93/22/1064699322.db2.gz UAZYAJCKRSSMIS-IRLDBZIGSA-N 1 0 476.710 4.509 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccnc3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001359948338 1064700098 /nfs/dbraw/zinc/70/00/98/1064700098.db2.gz LXEMQCNHJFZORV-UHFFFAOYSA-N 1 0 464.633 4.916 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CCOc3ccccc3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001359948329 1064700305 /nfs/dbraw/zinc/70/03/05/1064700305.db2.gz LUPCQNRFUVWHDV-GOTSBHOMSA-N 1 0 485.742 4.988 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001359949073 1064702296 /nfs/dbraw/zinc/70/22/96/1064702296.db2.gz WMOVJSXPUASOJA-HXUWFJFHSA-N 1 0 467.637 4.773 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N3CCN(c4cccc(F)c4F)CC3)nnc2C(C)(C)C)CC1 ZINC001359950479 1064704842 /nfs/dbraw/zinc/70/48/42/1064704842.db2.gz JITOACPEBKNUMK-UHFFFAOYSA-N 1 0 488.671 4.939 20 0 JJADRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC001435337015 1064707906 /nfs/dbraw/zinc/70/79/06/1064707906.db2.gz CAHHMKLEZNABIP-KSFYIVLOSA-N 1 0 452.396 4.946 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001359951214 1064708643 /nfs/dbraw/zinc/70/86/43/1064708643.db2.gz UFYRTSJNDCPCSE-QFIPXVFZSA-N 1 0 455.672 4.574 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001435339315 1064709631 /nfs/dbraw/zinc/70/96/31/1064709631.db2.gz MZNAQRXZWVGSHP-UZLBHIALSA-N 1 0 454.368 4.745 20 0 JJADRO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC001435348192 1064715033 /nfs/dbraw/zinc/71/50/33/1064715033.db2.gz ZADCIMITIMADQN-QFIPXVFZSA-N 1 0 451.636 4.720 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001359954002 1064717684 /nfs/dbraw/zinc/71/76/84/1064717684.db2.gz AGVNCGXHPNKTFN-DHLKQENFSA-N 1 0 469.674 4.716 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001435357260 1064721688 /nfs/dbraw/zinc/72/16/88/1064721688.db2.gz OFPLXKUILPSBIE-HXUWFJFHSA-N 1 0 452.595 4.825 20 0 JJADRO O=C(Cc1cc(Br)ccc1F)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001359957415 1064725809 /nfs/dbraw/zinc/72/58/09/1064725809.db2.gz SJPPMLMSANVGBV-LJQANCHMSA-N 1 0 453.783 4.955 20 0 JJADRO Cc1nc(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)nn1-c1ccc(F)cc1 ZINC001435372013 1064728321 /nfs/dbraw/zinc/72/83/21/1064728321.db2.gz ILQOKFPIPRVZAP-UHFFFAOYSA-N 1 0 457.553 4.537 20 0 JJADRO CC(C)CCOCCCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001359958913 1064730151 /nfs/dbraw/zinc/73/01/51/1064730151.db2.gz LRVBPQFBJPGATC-QFIPXVFZSA-N 1 0 490.490 4.835 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001435379782 1064731303 /nfs/dbraw/zinc/73/13/03/1064731303.db2.gz TZVSKFZLEZJIBT-JXFKEZNVSA-N 1 0 454.368 4.887 20 0 JJADRO C[NH+]1CCC(OCC(=O)Nc2cc(Br)ccc2Oc2ccc(Cl)cc2)CC1 ZINC001435383365 1064732441 /nfs/dbraw/zinc/73/24/41/1064732441.db2.gz BRXXIHBVCYFQSA-UHFFFAOYSA-N 1 0 453.764 4.944 20 0 JJADRO CC(C)CCOCCCn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359962421 1064735972 /nfs/dbraw/zinc/73/59/72/1064735972.db2.gz XQJNIAULJWBGNA-UHFFFAOYSA-N 1 0 459.654 4.771 20 0 JJADRO CC(C)CCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359964323 1064738302 /nfs/dbraw/zinc/73/83/02/1064738302.db2.gz RTXJBVVDTMGZHK-UHFFFAOYSA-N 1 0 497.728 4.854 20 0 JJADRO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC001435417488 1064747484 /nfs/dbraw/zinc/74/74/84/1064747484.db2.gz TVWACLNAXBCMMM-UHFFFAOYSA-N 1 0 458.537 4.549 20 0 JJADRO C[C@H](CCNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC001435421707 1064749843 /nfs/dbraw/zinc/74/98/43/1064749843.db2.gz GAAQEGFQBKYJRK-CQSZACIVSA-N 1 0 459.306 4.988 20 0 JJADRO C[C@H](CCNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)[N@H+](C)Cc1ccccc1 ZINC001435421703 1064749896 /nfs/dbraw/zinc/74/98/96/1064749896.db2.gz FZIQYACEUJKNIX-HXUWFJFHSA-N 1 0 451.611 4.620 20 0 JJADRO CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001359982613 1064758242 /nfs/dbraw/zinc/75/82/42/1064758242.db2.gz HGAQQHAOPAYAJK-ISJGIBHGSA-N 1 0 467.702 4.854 20 0 JJADRO CC(C)CN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccs1)[NH+](C)C)C1CCCC1 ZINC001359982946 1064758764 /nfs/dbraw/zinc/75/87/64/1064758764.db2.gz HGKSKNFPJXYSTR-FQEVSTJZSA-N 1 0 481.670 4.695 20 0 JJADRO CC(C)CN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](c1ccco1)[NH+](C)C)C(C)C ZINC001359987209 1064768095 /nfs/dbraw/zinc/76/80/95/1064768095.db2.gz MXWDGFBZOFUSDJ-QHCPKHFHSA-N 1 0 461.614 4.898 20 0 JJADRO CC(C)CN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1([NH+](C)C)CCSC1)C(C)C ZINC001359987761 1064768693 /nfs/dbraw/zinc/76/86/93/1064768693.db2.gz WJXSMIVEIOGASA-RUZDIDTESA-N 1 0 454.688 4.745 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COc1ccccc1OCc1ccccc1 ZINC001435458964 1064769154 /nfs/dbraw/zinc/76/91/54/1064769154.db2.gz HPOOIUQCYFOMSO-HVUMLAPRSA-N 1 0 458.602 4.917 20 0 JJADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC001435460497 1064770346 /nfs/dbraw/zinc/77/03/46/1064770346.db2.gz LGMUORKNXSIVHR-SKGAXEKPSA-N 1 0 453.671 4.515 20 0 JJADRO CC(C)CN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCC1)C(C)C ZINC001359989489 1064770826 /nfs/dbraw/zinc/77/08/26/1064770826.db2.gz MVYCWMZSVKMGLX-UHFFFAOYSA-N 1 0 476.710 4.749 20 0 JJADRO COc1ccc(Cl)c(-c2cc(C(=O)NC3[C@H](C)C[NH+](Cc4ccccc4)C[C@H]3C)on2)c1 ZINC001435462149 1064771910 /nfs/dbraw/zinc/77/19/10/1064771910.db2.gz UGAVMPVVSWGXTJ-IAGOWNOFSA-N 1 0 453.970 4.890 20 0 JJADRO Cc1nc(SC2CCCC2)sc1CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001435478328 1064781071 /nfs/dbraw/zinc/78/10/71/1064781071.db2.gz WVTXXXAWUPIFSV-UHFFFAOYSA-N 1 0 459.685 4.593 20 0 JJADRO CC(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001360005974 1064792939 /nfs/dbraw/zinc/79/29/39/1064792939.db2.gz IWNFWDDGPXFUFY-GMAHTHKFSA-N 1 0 482.673 4.717 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360007237 1064794496 /nfs/dbraw/zinc/79/44/96/1064794496.db2.gz ARADLRBBDIFYKC-REWPJTCUSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCC(O)(c3c(F)cccc3F)CC2)C1 ZINC001360007627 1064795194 /nfs/dbraw/zinc/79/51/94/1064795194.db2.gz FNBQHFJDDVQWAF-HXUWFJFHSA-N 1 0 475.628 4.536 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCC[C@@H](c3noc(C(C)C)n3)C2)C1 ZINC001360008328 1064797426 /nfs/dbraw/zinc/79/74/26/1064797426.db2.gz PLAITASXSNUNNO-NHCUHLMSSA-N 1 0 457.667 4.660 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)Cc2nsc3ccccc32)cc1Cl ZINC001435510754 1064797772 /nfs/dbraw/zinc/79/77/72/1064797772.db2.gz ZLRCXLBESPZPQU-UHFFFAOYSA-N 1 0 459.015 4.593 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360009418 1064798918 /nfs/dbraw/zinc/79/89/18/1064798918.db2.gz BCHGIWOFVUJCPF-VABKMULXSA-N 1 0 461.695 4.672 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCc2ccccn2)C1 ZINC001360009416 1064799153 /nfs/dbraw/zinc/79/91/53/1064799153.db2.gz AZPJKCQREOUEIC-OAQYLSRUSA-N 1 0 482.076 4.826 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccccc2Cl)C1 ZINC001360009739 1064799577 /nfs/dbraw/zinc/79/95/77/1064799577.db2.gz DUPLQAGFWMDANL-NRFANRHFSA-N 1 0 467.061 4.922 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@H](C)C2)C1 ZINC001360009903 1064799941 /nfs/dbraw/zinc/79/99/41/1064799941.db2.gz HIKCWYDPEACOMG-WOJBJXKFSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001360010103 1064800961 /nfs/dbraw/zinc/80/09/61/1064800961.db2.gz KNPJVEJJQMXRCJ-FGZHOGPDSA-N 1 0 490.092 4.709 20 0 JJADRO CN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435517526 1064800968 /nfs/dbraw/zinc/80/09/68/1064800968.db2.gz GNNSDHFGYQRSIX-FQEVSTJZSA-N 1 0 458.002 4.962 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360010573 1064802368 /nfs/dbraw/zinc/80/23/68/1064802368.db2.gz RVZQZUMVRJKUME-QZTJIDSGSA-N 1 0 496.519 4.610 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C(C)C)C2)C1 ZINC001360010529 1064802411 /nfs/dbraw/zinc/80/24/11/1064802411.db2.gz RFSWKHXUYYLMTO-CVDCTZTESA-N 1 0 478.056 4.967 20 0 JJADRO CN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435520654 1064803421 /nfs/dbraw/zinc/80/34/21/1064803421.db2.gz YWJKSCCMLZIXEW-QGZVFWFLSA-N 1 0 458.331 4.590 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCOC(C)(C)C)C1 ZINC001360010986 1064805529 /nfs/dbraw/zinc/80/55/29/1064805529.db2.gz ZKLTWCUSUBPNKF-HSZRJFAPSA-N 1 0 493.700 4.750 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360012018 1064807038 /nfs/dbraw/zinc/80/70/38/1064807038.db2.gz KQXWNVIIYKAHDV-RTWAWAEBSA-N 1 0 486.730 4.510 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)Cc2ccccc2)C1 ZINC001360012063 1064807459 /nfs/dbraw/zinc/80/74/59/1064807459.db2.gz LTFFSRYYBGOCFW-JIMJEQGWSA-N 1 0 497.728 4.564 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360012393 1064809190 /nfs/dbraw/zinc/80/91/90/1064809190.db2.gz RAEIDRFDDBJLOT-NRFANRHFSA-N 1 0 491.602 4.966 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N(C)[C@H](C)c3cccs3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001360012356 1064809213 /nfs/dbraw/zinc/80/92/13/1064809213.db2.gz QFNMNWQOZCRATF-TVZXLZGTSA-N 1 0 489.730 4.946 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@@H]2C)C1 ZINC001360012731 1064810190 /nfs/dbraw/zinc/81/01/90/1064810190.db2.gz VGJPXACMKXRNJO-VQTJNVASSA-N 1 0 478.106 4.820 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@H]2C)C1 ZINC001360012733 1064810311 /nfs/dbraw/zinc/81/03/11/1064810311.db2.gz VGJPXACMKXRNJO-WOJBJXKFSA-N 1 0 478.106 4.820 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C(C)(C)C)C2)C1 ZINC001360012999 1064810896 /nfs/dbraw/zinc/81/08/96/1064810896.db2.gz ZYRQTJVGGYYNHU-OLKYXYMISA-N 1 0 489.749 4.816 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001360015044 1064813913 /nfs/dbraw/zinc/81/39/13/1064813913.db2.gz MSPARZVHBFBOBT-YLJYHZDGSA-N 1 0 464.427 4.624 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCC(F)(F)F)CC1 ZINC001360017032 1064816229 /nfs/dbraw/zinc/81/62/29/1064816229.db2.gz BCRUSDDVHRQDPP-UHFFFAOYSA-N 1 0 480.398 4.890 20 0 JJADRO CCS[C@@H](C)c1noc(CN(C)C(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)n1 ZINC001435541521 1064819119 /nfs/dbraw/zinc/81/91/19/1064819119.db2.gz ALFZPLVRBXUDBZ-KBXCAEBGSA-N 1 0 458.550 4.944 20 0 JJADRO CCS[C@H](C)c1noc(CN(C)C(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)n1 ZINC001435541530 1064819193 /nfs/dbraw/zinc/81/91/93/1064819193.db2.gz ALFZPLVRBXUDBZ-RDTXWAMCSA-N 1 0 458.550 4.944 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360018083 1064819297 /nfs/dbraw/zinc/81/92/97/1064819297.db2.gz MIWHFNQSMBAXRY-ROUUACIJSA-N 1 0 496.519 4.752 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(C)CCCO2)CC1 ZINC001360018358 1064819491 /nfs/dbraw/zinc/81/94/91/1064819491.db2.gz NYEAHDIALUCDSC-QFIPXVFZSA-N 1 0 496.881 4.708 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2ccccc2F)CC1 ZINC001360018105 1064819541 /nfs/dbraw/zinc/81/95/41/1064819541.db2.gz MOAHLPIBXVEVBC-UHFFFAOYSA-N 1 0 492.462 4.929 20 0 JJADRO Cc1nn(Cc2ccccc2)c2sc(C(=O)N(CC[NH+](C)C)Cc3ccccc3F)cc12 ZINC001360019194 1064821904 /nfs/dbraw/zinc/82/19/04/1064821904.db2.gz FWIGEOUWZCNKLO-UHFFFAOYSA-N 1 0 450.583 4.798 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)c1 ZINC001435547692 1064821999 /nfs/dbraw/zinc/82/19/99/1064821999.db2.gz VOXFDYIGIRMEBT-UHFFFAOYSA-N 1 0 454.473 4.579 20 0 JJADRO COCCSc1ccc([C@@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001360020228 1064823570 /nfs/dbraw/zinc/82/35/70/1064823570.db2.gz RXDJNVCTQGEXSI-CTUHWIOQSA-N 1 0 481.687 4.975 20 0 JJADRO Cn1cnc(-c2ccc(C(=O)N(CC[NH+]3CCCC3)Cc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC001360028283 1064830469 /nfs/dbraw/zinc/83/04/69/1064830469.db2.gz AIGVBJUICCUNCV-UHFFFAOYSA-N 1 0 458.393 4.527 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001435561454 1064832745 /nfs/dbraw/zinc/83/27/45/1064832745.db2.gz DWQSJHFFOKGWIY-AZSVPQILSA-N 1 0 455.602 4.669 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360031369 1064833729 /nfs/dbraw/zinc/83/37/29/1064833729.db2.gz FRMIGRTVQNDVDK-UHFFFAOYSA-N 1 0 467.702 4.825 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001360031517 1064833780 /nfs/dbraw/zinc/83/37/80/1064833780.db2.gz JUUVFGWXPDCVGC-ILBGXUMGSA-N 1 0 497.728 4.907 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001360032773 1064835281 /nfs/dbraw/zinc/83/52/81/1064835281.db2.gz YJBGMKXERYSZLT-NRFANRHFSA-N 1 0 461.601 4.503 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCSc1ccc(Br)cc1 ZINC001360033010 1064835355 /nfs/dbraw/zinc/83/53/55/1064835355.db2.gz VQYAHJNSACBSFN-UHFFFAOYSA-N 1 0 457.384 4.800 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cscc2C(F)(F)F)CC1 ZINC001360033913 1064837078 /nfs/dbraw/zinc/83/70/78/1064837078.db2.gz NBGWEUHCAIIKKX-UHFFFAOYSA-N 1 0 497.562 4.903 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 ZINC001360033942 1064837242 /nfs/dbraw/zinc/83/72/42/1064837242.db2.gz ANJJRHFJIYALFZ-DPLHUUCSSA-N 1 0 487.664 4.786 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC2CCCC2)CC1 ZINC001360033815 1064837316 /nfs/dbraw/zinc/83/73/16/1064837316.db2.gz LMVGEVXKULJXIX-ZRZAMGCNSA-N 1 0 488.721 4.797 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccsc2)C1 ZINC001360034166 1064837866 /nfs/dbraw/zinc/83/78/66/1064837866.db2.gz BUQRXCNJBQQAHW-TZIWHRDSSA-N 1 0 487.645 4.612 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](C)CC2)C1 ZINC001360034135 1064838047 /nfs/dbraw/zinc/83/80/47/1064838047.db2.gz BNVHVHSUVISDAR-LGVFNWMJSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCCC[C@@H](C)C2)C1 ZINC001360035711 1064841518 /nfs/dbraw/zinc/84/15/18/1064841518.db2.gz PPSVEXKHOKPDLT-DENIHFKCSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](C)C2)C1 ZINC001360035923 1064842510 /nfs/dbraw/zinc/84/25/10/1064842510.db2.gz RCHOPLMKVMLFHX-MJGOQNOKSA-N 1 0 466.457 4.845 20 0 JJADRO C[C@@H]1C[C@@H](CCNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC001435584700 1064849549 /nfs/dbraw/zinc/84/95/49/1064849549.db2.gz IDRFREWHAMOZDU-NFBKMPQASA-N 1 0 451.611 4.742 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)Cc2noc3ccc(Br)cc32)C[N@@H+]1Cc1ccccc1 ZINC001435585595 1064850156 /nfs/dbraw/zinc/85/01/56/1064850156.db2.gz KGTXJCZYFIAPOM-WMZOPIPTSA-N 1 0 456.384 4.550 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC(C)CC2)C1 ZINC001360038678 1064850258 /nfs/dbraw/zinc/85/02/58/1064850258.db2.gz ILRRUZFOCOMKGE-HXUWFJFHSA-N 1 0 496.483 4.757 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(N(C)C[C@@H]3CCCO[C@@H]3c3ccccc3)nnc2C(C)(C)C)C1 ZINC001360038765 1064850403 /nfs/dbraw/zinc/85/04/03/1064850403.db2.gz JKPAXDKJIGPFEW-CCDWMCETSA-N 1 0 483.701 4.537 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001360039184 1064852181 /nfs/dbraw/zinc/85/21/81/1064852181.db2.gz JLIJSAJNBDRIKS-GOSISDBHSA-N 1 0 498.535 4.684 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC001435588022 1064852953 /nfs/dbraw/zinc/85/29/53/1064852953.db2.gz USPZEDPNWZRLKZ-WBVHZDCISA-N 1 0 454.464 4.920 20 0 JJADRO CC(C)CN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)C1CCCC1 ZINC001360041087 1064857006 /nfs/dbraw/zinc/85/70/06/1064857006.db2.gz WEZMHBVZIRRNGF-RUZDIDTESA-N 1 0 471.665 4.770 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001360042016 1064858167 /nfs/dbraw/zinc/85/81/67/1064858167.db2.gz NYBBYFYXTZNZRJ-QHCPKHFHSA-N 1 0 496.700 4.760 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(CC(C)C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001360043120 1064859454 /nfs/dbraw/zinc/85/94/54/1064859454.db2.gz FUFJSLKPDGUCIW-QHCPKHFHSA-N 1 0 498.716 4.911 20 0 JJADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(Br)c(C)c1 ZINC001435600841 1064864817 /nfs/dbraw/zinc/86/48/17/1064864817.db2.gz NHUIORQBUXBFBS-FQEVSTJZSA-N 1 0 453.384 4.962 20 0 JJADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(Br)c(C)c1 ZINC001435600844 1064864991 /nfs/dbraw/zinc/86/49/91/1064864991.db2.gz NHUIORQBUXBFBS-HXUWFJFHSA-N 1 0 453.384 4.962 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1OC ZINC001435603719 1064867314 /nfs/dbraw/zinc/86/73/14/1064867314.db2.gz JLDWHOKEDLRHIH-LOSJGSFVSA-N 1 0 459.590 4.662 20 0 JJADRO CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(C3CCCC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001360048926 1064870104 /nfs/dbraw/zinc/87/01/04/1064870104.db2.gz KUWBFVHECNNVOJ-CTNGQTDRSA-N 1 0 487.693 4.809 20 0 JJADRO CC(C)COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001360050602 1064876017 /nfs/dbraw/zinc/87/60/17/1064876017.db2.gz XMJNPQYWWRPRJM-UHFFFAOYSA-N 1 0 490.696 4.905 20 0 JJADRO COc1cccc(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1OC(F)F ZINC001435614004 1064876615 /nfs/dbraw/zinc/87/66/15/1064876615.db2.gz QADNVOPSXNCEMA-GOSISDBHSA-N 1 0 456.493 4.501 20 0 JJADRO Cc1cc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)cc1Br ZINC001435616530 1064878500 /nfs/dbraw/zinc/87/85/00/1064878500.db2.gz DLRDGZPIISLJAO-IBGZPJMESA-N 1 0 453.384 4.962 20 0 JJADRO CC(C)COc1cccc(Cn2c(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)nnc2C(C)(C)C)c1 ZINC001360051709 1064879377 /nfs/dbraw/zinc/87/93/77/1064879377.db2.gz FVAPFKFHLUPJBM-OAQYLSRUSA-N 1 0 453.675 4.969 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC001360055409 1064884969 /nfs/dbraw/zinc/88/49/69/1064884969.db2.gz SRRLBHGISIGKRB-SJBKTWHCSA-N 1 0 459.704 4.972 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001360058715 1064896128 /nfs/dbraw/zinc/89/61/28/1064896128.db2.gz UTHAZJILMCKZAX-QHCPKHFHSA-N 1 0 464.658 4.863 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001360061771 1064900968 /nfs/dbraw/zinc/90/09/68/1064900968.db2.gz BNYRORIMFJDPJL-NHCUHLMSSA-N 1 0 475.628 4.663 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC001360063429 1064903957 /nfs/dbraw/zinc/90/39/57/1064903957.db2.gz PSHWVFZXIZTYIF-VWLOTQADSA-N 1 0 453.675 4.762 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)C1 ZINC001360067351 1064912122 /nfs/dbraw/zinc/91/21/22/1064912122.db2.gz VVVFYSVANPDKIP-HXUWFJFHSA-N 1 0 496.483 4.901 20 0 JJADRO C[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001435658310 1064913395 /nfs/dbraw/zinc/91/33/95/1064913395.db2.gz YIXGNIGPSDOEQV-LLMJNHHCSA-N 1 0 457.412 4.633 20 0 JJADRO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001435658473 1064913670 /nfs/dbraw/zinc/91/36/70/1064913670.db2.gz ZKQDYOKZIWFACQ-MZGVDSNGSA-N 1 0 457.412 4.633 20 0 JJADRO CC(C)CSCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001360076113 1064923598 /nfs/dbraw/zinc/92/35/98/1064923598.db2.gz FSPFSFFPMGTFHC-JOCHJYFZSA-N 1 0 481.714 4.559 20 0 JJADRO CCC[C@@H]1CN(C(=O)c2ccccc2SCc2nc(C)no2)CC[N@@H+]1Cc1ccccc1 ZINC001435671807 1064925020 /nfs/dbraw/zinc/92/50/20/1064925020.db2.gz CGNYWFXUDXCVKV-OAQYLSRUSA-N 1 0 450.608 4.797 20 0 JJADRO CCC[C@@H]1CN(C(=O)COc2ccccc2OCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001435672566 1064925854 /nfs/dbraw/zinc/92/58/54/1064925854.db2.gz HVYDFTRGAQEKJF-HXUWFJFHSA-N 1 0 450.501 4.520 20 0 JJADRO CC(C)CSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360083407 1064945432 /nfs/dbraw/zinc/94/54/32/1064945432.db2.gz GATSVMDPDXERQU-UHFFFAOYSA-N 1 0 454.688 4.747 20 0 JJADRO C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435702227 1064946863 /nfs/dbraw/zinc/94/68/63/1064946863.db2.gz IYPUBNNCAIECOL-QFBILLFUSA-N 1 0 456.999 4.509 20 0 JJADRO CC(C)CSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001360086013 1064949233 /nfs/dbraw/zinc/94/92/33/1064949233.db2.gz OAKWPKAWRVUXHP-QTJGBDASSA-N 1 0 471.715 4.661 20 0 JJADRO CC(C)CSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001360086533 1064950995 /nfs/dbraw/zinc/95/09/95/1064950995.db2.gz AKHXNTDBHDIELU-UHFFFAOYSA-N 1 0 454.688 4.517 20 0 JJADRO Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC001360087835 1064953224 /nfs/dbraw/zinc/95/32/24/1064953224.db2.gz REIZQOCFXSINOE-NRFANRHFSA-N 1 0 453.652 4.748 20 0 JJADRO CCOc1ccc(C(C)(C)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1OCC ZINC001435724150 1064956279 /nfs/dbraw/zinc/95/62/79/1064956279.db2.gz AIYPHVIVTXLVDA-UHFFFAOYSA-N 1 0 453.627 4.931 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccc([C@H]4CCCOC4)cc3)cc2)C[C@H]1C ZINC001435723546 1064956463 /nfs/dbraw/zinc/95/64/63/1064956463.db2.gz JPGNTACCZVUKBO-VRUMLPLGSA-N 1 0 450.623 4.520 20 0 JJADRO Cc1cccc(-c2ccc(C(=O)NCCc3ccc(OCC[N@H+]4C[C@H](C)[C@H](C)C4)cc3)n2C)c1 ZINC001435724414 1064957008 /nfs/dbraw/zinc/95/70/08/1064957008.db2.gz PWQLGZNJWPTFOK-ZRZAMGCNSA-N 1 0 459.634 4.940 20 0 JJADRO Cc1cc(C(=O)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)nn1C1CCCCC1 ZINC001435725728 1064957404 /nfs/dbraw/zinc/95/74/04/1064957404.db2.gz VEMJRCKAFRSEQT-NHCUHLMSSA-N 1 0 452.643 4.636 20 0 JJADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccn(-c4ccc(Cl)cc4Cl)n3)cc2)CC1 ZINC001435727712 1064959561 /nfs/dbraw/zinc/95/95/61/1064959561.db2.gz LXFJNVOSJZBXEB-UHFFFAOYSA-N 1 0 458.393 4.962 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360092365 1064960523 /nfs/dbraw/zinc/96/05/23/1064960523.db2.gz CGNKQGGXGBZNLK-DEOSSOPVSA-N 1 0 496.700 4.928 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360092320 1064960584 /nfs/dbraw/zinc/96/05/84/1064960584.db2.gz ASLCPJRCNGJFPW-QFIPXVFZSA-N 1 0 479.591 4.839 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001435729142 1064960700 /nfs/dbraw/zinc/96/07/00/1064960700.db2.gz MCQHNEZBBYHRLU-UHFFFAOYSA-N 1 0 458.393 4.720 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001360092489 1064961414 /nfs/dbraw/zinc/96/14/14/1064961414.db2.gz HIKXBCJISLCWIA-UUWRZZSWSA-N 1 0 485.742 4.710 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001360092480 1064961545 /nfs/dbraw/zinc/96/15/45/1064961545.db2.gz HEPBIZFGMMILFE-UHFFFAOYSA-N 1 0 480.657 4.853 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360092845 1064964643 /nfs/dbraw/zinc/96/46/43/1064964643.db2.gz UZWZCKYZKLSDIQ-QHCPKHFHSA-N 1 0 482.673 4.538 20 0 JJADRO COc1ccc(-c2nnc(NC(=O)c3ccccc3OCC[N@@H+]3CCCC[C@H]3C)s2)cc1 ZINC001435736577 1064964976 /nfs/dbraw/zinc/96/49/76/1064964976.db2.gz KRHHRUHKHXZJDS-QGZVFWFLSA-N 1 0 452.580 4.719 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3Br)n2[C@@H]2C[C@H]2CF)CC1 ZINC001360094540 1064966010 /nfs/dbraw/zinc/96/60/10/1064966010.db2.gz CYUJMPDGXHDOAG-FXAWDEMLSA-N 1 0 464.427 4.795 20 0 JJADRO Cc1cc2c(cc1Br)N(C(=O)c1ccc(N3CC[NH+](C(C)C)CC3)cc1)CCC2 ZINC001435739837 1064966312 /nfs/dbraw/zinc/96/63/12/1064966312.db2.gz NCDRBXSPQXJZCI-UHFFFAOYSA-N 1 0 456.428 4.881 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CCCSc2ccccc2)CC1 ZINC001360094807 1064966548 /nfs/dbraw/zinc/96/65/48/1064966548.db2.gz MKDIFRPLYIFDIV-JOCHJYFZSA-N 1 0 457.688 4.521 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001360094655 1064966678 /nfs/dbraw/zinc/96/66/78/1064966678.db2.gz HZHVJMWCFCMXCI-UHFFFAOYSA-N 1 0 483.730 4.837 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(Cl)cc2)CC1 ZINC001360094976 1064967366 /nfs/dbraw/zinc/96/73/66/1064967366.db2.gz RRBJQXNQCIJCAD-HSZRJFAPSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360094952 1064967484 /nfs/dbraw/zinc/96/74/84/1064967484.db2.gz QZJDJHGYQMGPHF-FQEVSTJZSA-N 1 0 496.597 4.525 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCCCCC2)CC1 ZINC001360095350 1064969057 /nfs/dbraw/zinc/96/90/57/1064969057.db2.gz GPVGSQPCXXTAAS-UHFFFAOYSA-N 1 0 487.664 4.638 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCOc3ccccc32)CC1 ZINC001360095276 1064969150 /nfs/dbraw/zinc/96/91/50/1064969150.db2.gz CVODKLOQPPWIAP-QFIPXVFZSA-N 1 0 453.675 4.990 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360095382 1064969421 /nfs/dbraw/zinc/96/94/21/1064969421.db2.gz HKKDVMXSPXMAJG-AOYPEHQESA-N 1 0 482.717 4.662 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(F)cccc2Cl)CC1 ZINC001360095648 1064970006 /nfs/dbraw/zinc/97/00/06/1064970006.db2.gz MSOFXTJIJYCBHF-OAQYLSRUSA-N 1 0 450.002 4.527 20 0 JJADRO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749353 1064972135 /nfs/dbraw/zinc/97/21/35/1064972135.db2.gz MOPJGCZEYRLCQJ-JIGPKXGUSA-N 1 0 457.981 4.926 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001360097457 1064974599 /nfs/dbraw/zinc/97/45/99/1064974599.db2.gz IDFRSKDOAMNFGX-KRWDZBQOSA-N 1 0 465.484 4.649 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3cscn3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435750531 1064975539 /nfs/dbraw/zinc/97/55/39/1064975539.db2.gz RLRWGAWRVSTVGQ-JTSKRJEESA-N 1 0 459.974 4.937 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccccc1F ZINC001360097621 1064975674 /nfs/dbraw/zinc/97/56/74/1064975674.db2.gz NTTOEQIZRKBDQI-UHFFFAOYSA-N 1 0 477.426 4.584 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(F)(F)CC1 ZINC001360097558 1064975794 /nfs/dbraw/zinc/97/57/94/1064975794.db2.gz LGPWRZDICGFTOI-UHFFFAOYSA-N 1 0 456.379 4.673 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360097607 1064975824 /nfs/dbraw/zinc/97/58/24/1064975824.db2.gz NFFGHFYOTJZOGH-KRWDZBQOSA-N 1 0 457.516 4.758 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360097882 1064976174 /nfs/dbraw/zinc/97/61/74/1064976174.db2.gz SSSUDHATGVCDOB-UHFFFAOYSA-N 1 0 471.955 4.677 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001360097926 1064977369 /nfs/dbraw/zinc/97/73/69/1064977369.db2.gz FJFFFZRJAGQGOC-LADGPHEKSA-N 1 0 450.631 4.608 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001360098515 1064977963 /nfs/dbraw/zinc/97/79/63/1064977963.db2.gz VXHMHAFZMGTNMP-UHFFFAOYSA-N 1 0 486.045 4.676 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccco1 ZINC001360100450 1064980252 /nfs/dbraw/zinc/98/02/52/1064980252.db2.gz MUODJUBLXLTQJF-RTWAWAEBSA-N 1 0 488.677 4.913 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 ZINC001360100966 1064980933 /nfs/dbraw/zinc/98/09/33/1064980933.db2.gz ZXEQUYPTXADKTB-KRWDZBQOSA-N 1 0 470.481 4.710 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001360101433 1064981846 /nfs/dbraw/zinc/98/18/46/1064981846.db2.gz OWDKHVWPKAKBLP-UHFFFAOYSA-N 1 0 460.548 4.649 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001360103186 1064982379 /nfs/dbraw/zinc/98/23/79/1064982379.db2.gz BKPGULHXHSYALZ-FDFHNCONSA-N 1 0 488.721 4.796 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C ZINC001360103770 1064983938 /nfs/dbraw/zinc/98/39/38/1064983938.db2.gz XHTFFXKPFLPSIJ-QGZVFWFLSA-N 1 0 454.109 4.896 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001360103797 1064983960 /nfs/dbraw/zinc/98/39/60/1064983960.db2.gz YCISTUQDJVZUAA-WXFUMESZSA-N 1 0 487.664 4.644 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360103904 1064984119 /nfs/dbraw/zinc/98/41/19/1064984119.db2.gz CGZBYZXRRGCWHB-UHFFFAOYSA-N 1 0 461.479 4.665 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCC2)C1 ZINC001360103608 1064984290 /nfs/dbraw/zinc/98/42/90/1064984290.db2.gz RHCYRKDMNUUILQ-UHFFFAOYSA-N 1 0 469.674 4.644 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360104002 1064984984 /nfs/dbraw/zinc/98/49/84/1064984984.db2.gz GVFMGRIOLGWNES-INIZCTEOSA-N 1 0 456.379 4.529 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N(Cc1ccco1)C[C@H]1CCCO1 ZINC001360106432 1064987322 /nfs/dbraw/zinc/98/73/22/1064987322.db2.gz CNPWKDCYQRJVBO-HXUWFJFHSA-N 1 0 475.996 4.856 20 0 JJADRO Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC001435783615 1064990395 /nfs/dbraw/zinc/99/03/95/1064990395.db2.gz OBURXHGZGQQXAW-UHFFFAOYSA-N 1 0 451.434 4.516 20 0 JJADRO Cc1ccc(CCC(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)cc1Cl ZINC001435784017 1064990878 /nfs/dbraw/zinc/99/08/78/1064990878.db2.gz SSOOMEBIGCREHM-UHFFFAOYSA-N 1 0 450.808 4.734 20 0 JJADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC1CC1)C1CCC1 ZINC001360109839 1064991372 /nfs/dbraw/zinc/99/13/72/1064991372.db2.gz JOUFCYIIVANHSA-UHFFFAOYSA-N 1 0 474.694 4.502 20 0 JJADRO CC(C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 ZINC001360110236 1064991563 /nfs/dbraw/zinc/99/15/63/1064991563.db2.gz MDLMIGBXYZDKCS-UHFFFAOYSA-N 1 0 476.669 4.592 20 0 JJADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360110313 1064991597 /nfs/dbraw/zinc/99/15/97/1064991597.db2.gz PCSMPUMJKZHGLO-IBGZPJMESA-N 1 0 490.718 4.992 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCC(c2nccs2)CC1 ZINC001360112487 1064993918 /nfs/dbraw/zinc/99/39/18/1064993918.db2.gz FSJGYKWHJQBPPW-UHFFFAOYSA-N 1 0 452.672 4.634 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2ccccc2[C@H]1C ZINC001360113612 1064995624 /nfs/dbraw/zinc/99/56/24/1064995624.db2.gz ILWBKSQZTHDFPO-FCEUIQTBSA-N 1 0 482.673 4.513 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(Br)o1 ZINC001360113721 1064995840 /nfs/dbraw/zinc/99/58/40/1064995840.db2.gz MBDLBKZBZGUAIN-IEBWSBKVSA-N 1 0 482.467 4.529 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001360113924 1064996153 /nfs/dbraw/zinc/99/61/53/1064996153.db2.gz SUIGXGASKSLXKA-AGILITTLSA-N 1 0 471.690 4.700 20 0 JJADRO Cc1ccc(NC(=O)CCCOc2cccc(Cl)c2Cl)cc1NC(=O)CC[NH+](C)C ZINC001435802216 1064998740 /nfs/dbraw/zinc/99/87/40/1064998740.db2.gz MNDYJSVCFYHMQU-UHFFFAOYSA-N 1 0 452.382 4.990 20 0 JJADRO Cc1ccc(NC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)cc1NC(=O)CC[NH+](C)C ZINC001435803179 1065000007 /nfs/dbraw/zinc/00/00/07/1065000007.db2.gz WMRMOHDHQJOOPX-UHFFFAOYSA-N 1 0 451.611 4.980 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360118639 1065005022 /nfs/dbraw/zinc/00/50/22/1065005022.db2.gz MSBUEPRWQMKFEE-DEOSSOPVSA-N 1 0 464.633 4.938 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)C1)C(C)C ZINC001360123551 1065014839 /nfs/dbraw/zinc/01/48/39/1065014839.db2.gz JGRKGHLSHXKTTE-UHFFFAOYSA-N 1 0 478.479 4.832 20 0 JJADRO CC(C)[NH+](CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC=C(c2ccccc2)C1)C(C)C ZINC001360124054 1065016186 /nfs/dbraw/zinc/01/61/86/1065016186.db2.gz UEQZXUFNSSOQEK-UHFFFAOYSA-N 1 0 487.652 4.728 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)C(C)C ZINC001360125201 1065017105 /nfs/dbraw/zinc/01/71/05/1065017105.db2.gz CBKWILGGJUWBAI-UHFFFAOYSA-N 1 0 472.722 4.674 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1)C(C)C ZINC001360125233 1065017189 /nfs/dbraw/zinc/01/71/89/1065017189.db2.gz CZPRWOAOIWRIFN-UHFFFAOYSA-N 1 0 480.701 4.843 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CCCC2)nnc1N1CCN(Cc2ccsc2)CC1)C(C)C ZINC001360125258 1065017208 /nfs/dbraw/zinc/01/72/08/1065017208.db2.gz DJFHMIAEEHDSHP-UHFFFAOYSA-N 1 0 458.720 4.828 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CCC(OC2CCCC2)CC1)C(C)C ZINC001360125284 1065017695 /nfs/dbraw/zinc/01/76/95/1065017695.db2.gz FLHWREIGKUQYBF-UHFFFAOYSA-N 1 0 454.663 4.777 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N1CCC(c2ccc(O)cc2)CC1)C(C)C ZINC001360125346 1065017788 /nfs/dbraw/zinc/01/77/88/1065017788.db2.gz HITUDIDAHLCNHJ-UHFFFAOYSA-N 1 0 462.642 4.939 20 0 JJADRO CC(C)[NH+](CCCn1c(CCc2ccccc2)nnc1N1CCSC2(CCOCC2)C1)C(C)C ZINC001360126302 1065019745 /nfs/dbraw/zinc/01/97/45/1065019745.db2.gz MYOAMDXXCOPDCH-UHFFFAOYSA-N 1 0 485.742 4.675 20 0 JJADRO CC(C)[NH+](CCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2nccs2)C1)C(C)C ZINC001360126503 1065020888 /nfs/dbraw/zinc/02/08/88/1065020888.db2.gz STEFHZHCQNVXJU-OAQYLSRUSA-N 1 0 460.692 4.554 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCOC1)C(C)C ZINC001360128406 1065022430 /nfs/dbraw/zinc/02/24/30/1065022430.db2.gz IABZODYQQFVXBI-GOSISDBHSA-N 1 0 452.018 4.719 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)C ZINC001360128335 1065022634 /nfs/dbraw/zinc/02/26/34/1065022634.db2.gz GJLOQKVBVCHUDD-SFHVURJKSA-N 1 0 487.014 4.790 20 0 JJADRO C[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435851096 1065023037 /nfs/dbraw/zinc/02/30/37/1065023037.db2.gz FRVTWKFCYZTPMC-HUUCEWRRSA-N 1 0 452.382 4.943 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)C(C)C ZINC001360128705 1065023208 /nfs/dbraw/zinc/02/32/08/1065023208.db2.gz MEQSLVUBJYJSSX-QFIPXVFZSA-N 1 0 460.066 4.849 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)c2ccsc2)CC1)C(C)C ZINC001360128924 1065024365 /nfs/dbraw/zinc/02/43/65/1065024365.db2.gz PCQOIZGSMDHGEU-UHFFFAOYSA-N 1 0 498.672 4.663 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2CCC[C@H]21)C(C)C ZINC001360129258 1065024847 /nfs/dbraw/zinc/02/48/47/1065024847.db2.gz TWDHAVKIZZEVRM-PKOBYXMFSA-N 1 0 463.468 4.544 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)C(C)C ZINC001360129476 1065025314 /nfs/dbraw/zinc/02/53/14/1065025314.db2.gz RDTAVUWOJWUTGG-QFIPXVFZSA-N 1 0 457.022 4.623 20 0 JJADRO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC001435854288 1065025715 /nfs/dbraw/zinc/02/57/15/1065025715.db2.gz ZRJFMXVOAHRHCW-UONOGXRCSA-N 1 0 458.238 4.903 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)C(C)C ZINC001360132251 1065027081 /nfs/dbraw/zinc/02/70/81/1065027081.db2.gz HNLJEJQKCXPMPS-CTNGQTDRSA-N 1 0 496.469 4.810 20 0 JJADRO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1 ZINC001435855801 1065027262 /nfs/dbraw/zinc/02/72/62/1065027262.db2.gz PHXICKXWGYHDMV-MFSJNOQSSA-N 1 0 458.549 4.817 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1)C(C)C ZINC001360132066 1065027176 /nfs/dbraw/zinc/02/71/76/1065027176.db2.gz FUYFBHMIQIRDLX-UHFFFAOYSA-N 1 0 450.096 4.973 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCC(c2ccsc2)CC1)C(C)C ZINC001360131932 1065027302 /nfs/dbraw/zinc/02/73/02/1065027302.db2.gz DTVDTIKDJQYMBC-UHFFFAOYSA-N 1 0 452.672 4.828 20 0 JJADRO CC(C)([C@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001435856581 1065027630 /nfs/dbraw/zinc/02/76/30/1065027630.db2.gz UEGKYDWLHPXMMT-HSZRJFAPSA-N 1 0 452.505 4.893 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1)C(C)C ZINC001360132791 1065027700 /nfs/dbraw/zinc/02/77/00/1065027700.db2.gz MEBGBXJAARZJND-UBFVSLLYSA-N 1 0 469.674 4.505 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C2CC2)C1)C(C)C ZINC001360133414 1065028717 /nfs/dbraw/zinc/02/87/17/1065028717.db2.gz RPEPMVLYJFWYQA-XZOQPEGZSA-N 1 0 488.721 4.748 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCc2ccccc2)CC1)C(C)C ZINC001360133306 1065028751 /nfs/dbraw/zinc/02/87/51/1065028751.db2.gz QYWKXHRJPMVJFC-VWLOTQADSA-N 1 0 469.674 4.824 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001360133727 1065029320 /nfs/dbraw/zinc/02/93/20/1065029320.db2.gz YZLGKWNAXOVOMA-QHCPKHFHSA-N 1 0 485.648 4.529 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)C(C)C ZINC001360134008 1065029510 /nfs/dbraw/zinc/02/95/10/1065029510.db2.gz BMASARWZVCVWIR-LNRXMEIDSA-N 1 0 474.694 4.704 20 0 JJADRO O=C(NCCc1ccc(Br)cc1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001360134089 1065030122 /nfs/dbraw/zinc/03/01/22/1065030122.db2.gz JGWDLYFXOURWGC-FQEVSTJZSA-N 1 0 455.318 4.562 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C(C)C ZINC001360134102 1065030183 /nfs/dbraw/zinc/03/01/83/1065030183.db2.gz DHZBCNHCFZSBNS-QFIPXVFZSA-N 1 0 487.636 4.579 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccs1)C(C)C ZINC001360134306 1065030223 /nfs/dbraw/zinc/03/02/23/1065030223.db2.gz JIBUNYLQYFHSRL-BGYRXZFFSA-N 1 0 490.718 4.866 20 0 JJADRO CC(C)[NH+](CCn1c(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nnc1C(C)(C)C)C(C)C ZINC001360134909 1065031022 /nfs/dbraw/zinc/03/10/22/1065031022.db2.gz PPTILOWJYAFNSX-HXUWFJFHSA-N 1 0 451.663 4.955 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001360136018 1065031989 /nfs/dbraw/zinc/03/19/89/1065031989.db2.gz DXUOIIWAJCWXLC-UHFFFAOYSA-N 1 0 487.639 4.565 20 0 JJADRO CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435864722 1065032223 /nfs/dbraw/zinc/03/22/23/1065032223.db2.gz GMXDQGGJCQGAHW-YDLSIGKMSA-N 1 0 452.470 4.893 20 0 JJADRO CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435864720 1065032380 /nfs/dbraw/zinc/03/23/80/1065032380.db2.gz GMXDQGGJCQGAHW-JFSTXAPLSA-N 1 0 452.470 4.893 20 0 JJADRO Cc1ccc(-c2ncc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CCN(C)CC3)s2)c(C)c1 ZINC001435864874 1065032427 /nfs/dbraw/zinc/03/24/27/1065032427.db2.gz GWPITCHMPOMTIS-GOTSBHOMSA-N 1 0 454.684 4.836 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C2CCCCC2)CC1 ZINC001360137103 1065032982 /nfs/dbraw/zinc/03/29/82/1065032982.db2.gz UALQRPKVFHOXLI-UHFFFAOYSA-N 1 0 460.066 4.527 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001360137435 1065033019 /nfs/dbraw/zinc/03/30/19/1065033019.db2.gz SEBXZOGSABQUFC-UHFFFAOYSA-N 1 0 485.742 4.810 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001360137292 1065033199 /nfs/dbraw/zinc/03/31/99/1065033199.db2.gz PXBGHGIHVYUGHE-FQEVSTJZSA-N 1 0 490.092 4.618 20 0 JJADRO CN(C(=O)CCCOc1cccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435865654 1065033197 /nfs/dbraw/zinc/03/31/97/1065033197.db2.gz NVQPXGOPUIOYPV-IZZNHLLZSA-N 1 0 451.655 4.794 20 0 JJADRO CN(C(=O)CCCOc1cccc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435865653 1065033260 /nfs/dbraw/zinc/03/32/60/1065033260.db2.gz NVQPXGOPUIOYPV-FTJBHMTQSA-N 1 0 451.655 4.794 20 0 JJADRO CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001435865429 1065033514 /nfs/dbraw/zinc/03/35/14/1065033514.db2.gz MJDZDYGIRDCFGK-JWQCQUIFSA-N 1 0 455.046 4.811 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001360137616 1065033438 /nfs/dbraw/zinc/03/34/38/1065033438.db2.gz ZIEYSIDVNCUENT-GOSISDBHSA-N 1 0 463.617 4.578 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360138299 1065034116 /nfs/dbraw/zinc/03/41/16/1065034116.db2.gz CWHJNTAXFKCGDX-WOJBJXKFSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360138297 1065034206 /nfs/dbraw/zinc/03/42/06/1065034206.db2.gz CWHJNTAXFKCGDX-VQTJNVASSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2C(F)(F)F)C1 ZINC001360139048 1065035658 /nfs/dbraw/zinc/03/56/58/1065035658.db2.gz NHCSGWLHRUJVEZ-SFHVURJKSA-N 1 0 473.547 4.511 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2ccccc2F)C1 ZINC001360140457 1065037388 /nfs/dbraw/zinc/03/73/88/1065037388.db2.gz DONHWWDRGZEZMA-SFTDATJTSA-N 1 0 450.606 4.721 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001360140862 1065039094 /nfs/dbraw/zinc/03/90/94/1065039094.db2.gz JVARWGCRUAIJNA-IBGZPJMESA-N 1 0 487.023 4.801 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)C1 ZINC001360141297 1065039546 /nfs/dbraw/zinc/03/95/46/1065039546.db2.gz NVQAEYSSKMIFCA-GOSISDBHSA-N 1 0 475.062 4.724 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001360141420 1065040239 /nfs/dbraw/zinc/04/02/39/1065040239.db2.gz OWTXHQXISJKFPS-OAQYLSRUSA-N 1 0 490.737 4.823 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)s2)C1 ZINC001360142153 1065041908 /nfs/dbraw/zinc/04/19/08/1065041908.db2.gz UNKZHEIFWWNCSP-IBGZPJMESA-N 1 0 459.063 4.736 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@](O)(Cc3cccc(Cl)c3)C2)C1 ZINC001360142232 1065042000 /nfs/dbraw/zinc/04/20/00/1065042000.db2.gz VOTWSVOOPZPGPK-CUNXSJBXSA-N 1 0 488.120 4.824 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)C1 ZINC001360142440 1065042561 /nfs/dbraw/zinc/04/25/61/1065042561.db2.gz WJWGSLZZQJXKGS-HSZRJFAPSA-N 1 0 467.061 4.717 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2CC=CCO2)CC1 ZINC001360144181 1065045242 /nfs/dbraw/zinc/04/52/42/1065045242.db2.gz WFCGESADEHHVBT-SFHVURJKSA-N 1 0 494.865 4.627 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(Cl)cc2)CC1 ZINC001360143936 1065045270 /nfs/dbraw/zinc/04/52/70/1065045270.db2.gz QFSALEHAOXHKTQ-UHFFFAOYSA-N 1 0 477.838 4.658 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC=CCC2)CC1 ZINC001360144294 1065046345 /nfs/dbraw/zinc/04/63/45/1065046345.db2.gz YMYZJPJOFGPFAE-IBGZPJMESA-N 1 0 458.448 4.984 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001545893972 1065049097 /nfs/dbraw/zinc/04/90/97/1065049097.db2.gz LTTJTIYUNRVJGR-MOPGFXCFSA-N 1 0 486.627 4.630 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)c2cccs2)CC1 ZINC001360149161 1065051748 /nfs/dbraw/zinc/05/17/48/1065051748.db2.gz CMDHGVSOVPOMLM-UHFFFAOYSA-N 1 0 477.476 4.605 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCOC2CCCC2)CC1 ZINC001360149286 1065052249 /nfs/dbraw/zinc/05/22/49/1065052249.db2.gz JDUPFGNHVMAIKY-UHFFFAOYSA-N 1 0 494.453 4.726 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2OCCC2(C)C)CC1 ZINC001360149290 1065052307 /nfs/dbraw/zinc/05/23/07/1065052307.db2.gz JETZKGTXWDHYBA-LJQANCHMSA-N 1 0 496.881 4.707 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[C@@H]2CCCCO2)CC1 ZINC001360149255 1065052477 /nfs/dbraw/zinc/05/24/77/1065052477.db2.gz HQLVQRYDRYQYFW-SFHVURJKSA-N 1 0 496.881 4.851 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360149719 1065053644 /nfs/dbraw/zinc/05/36/44/1065053644.db2.gz ZURSOWXTBBURMZ-KRWDZBQOSA-N 1 0 495.043 4.523 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001360150556 1065054275 /nfs/dbraw/zinc/05/42/75/1065054275.db2.gz GFNUPVRYFBFNID-BEFAXECRSA-N 1 0 453.505 4.536 20 0 JJADRO C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360150476 1065054444 /nfs/dbraw/zinc/05/44/44/1065054444.db2.gz DBJODTXBMIFPBT-CTNGQTDRSA-N 1 0 451.474 4.595 20 0 JJADRO Cc1c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435903543 1065054482 /nfs/dbraw/zinc/05/44/82/1065054482.db2.gz NNSODDXJACMWRV-UHFFFAOYSA-N 1 0 457.500 4.892 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@@H](C)C1 ZINC001360150597 1065054620 /nfs/dbraw/zinc/05/46/20/1065054620.db2.gz HASMUDJKJKKEIQ-DOTOQJQBSA-N 1 0 457.562 4.501 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001360152101 1065055362 /nfs/dbraw/zinc/05/53/62/1065055362.db2.gz ARBPTCGLIDACII-UHFFFAOYSA-N 1 0 455.981 4.700 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(Br)cs2)CC1 ZINC001360155657 1065057541 /nfs/dbraw/zinc/05/75/41/1065057541.db2.gz DIKIEJSZHZCELH-RTBURBONSA-N 1 0 496.519 4.599 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCCCC(F)(F)C3)CC2)CC1 ZINC001360156226 1065057873 /nfs/dbraw/zinc/05/78/73/1065057873.db2.gz VDXOVXXPUOEMHS-NRFANRHFSA-N 1 0 480.692 4.786 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001360156191 1065057960 /nfs/dbraw/zinc/05/79/60/1065057960.db2.gz UBRIABHFFZLYRM-PMACEKPBSA-N 1 0 496.647 4.706 20 0 JJADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(Br)cc1Br)[NH+](C)C ZINC001435922276 1065064892 /nfs/dbraw/zinc/06/48/92/1065064892.db2.gz IGUSGKQJHUTBKU-FZKQIMNGSA-N 1 0 454.206 4.941 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)[NH+](C)C ZINC001435923287 1065065910 /nfs/dbraw/zinc/06/59/10/1065065910.db2.gz VULOLWNBYGPSFR-KMRXNPHXSA-N 1 0 456.590 4.731 20 0 JJADRO C[NH+](C)CCn1ncc(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)c1-c1ccccc1 ZINC001435946918 1065076638 /nfs/dbraw/zinc/07/66/38/1065076638.db2.gz KZNNEVXXVODACS-UHFFFAOYSA-N 1 0 452.549 4.632 20 0 JJADRO O=C(Nc1ccc(Br)c(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001360220365 1065085770 /nfs/dbraw/zinc/08/57/70/1065085770.db2.gz FPFDVIWAPSCMQA-VQTJNVASSA-N 1 0 454.343 4.838 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360222257 1065087225 /nfs/dbraw/zinc/08/72/25/1065087225.db2.gz NFYQIJXOVGIMLA-FGZHOGPDSA-N 1 0 498.691 4.624 20 0 JJADRO CC(C)COc1ncc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1Cl ZINC001360248313 1065098194 /nfs/dbraw/zinc/09/81/94/1065098194.db2.gz KSEBJPKFWLEUCP-UHFFFAOYSA-N 1 0 458.990 4.837 20 0 JJADRO CSc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1-c1ccc(F)cc1 ZINC001436015105 1065113744 /nfs/dbraw/zinc/11/37/44/1065113744.db2.gz LKCYJTYGCOAOCQ-QFIPXVFZSA-N 1 0 452.599 4.764 20 0 JJADRO CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001436017429 1065115763 /nfs/dbraw/zinc/11/57/63/1065115763.db2.gz LXOKBHMUTNGHAC-HSZRJFAPSA-N 1 0 451.611 4.993 20 0 JJADRO Cc1cc(-c2noc(CCC(=O)NCc3ccccc3C[NH+]3CCCCCC3)n2)ccc1F ZINC001360283596 1065123532 /nfs/dbraw/zinc/12/35/32/1065123532.db2.gz UGZYHALPZZKNII-UHFFFAOYSA-N 1 0 450.558 4.809 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001360283168 1065123633 /nfs/dbraw/zinc/12/36/33/1065123633.db2.gz IYYJZAUAUAAKKY-HXUWFJFHSA-N 1 0 457.977 4.524 20 0 JJADRO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)NC1CCCCC1 ZINC001360288609 1065126798 /nfs/dbraw/zinc/12/67/98/1065126798.db2.gz YVEUKBOIXNYMEW-BJKOFHAPSA-N 1 0 454.998 4.548 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)c2ccccc2)CC1 ZINC001360305462 1065140642 /nfs/dbraw/zinc/14/06/42/1065140642.db2.gz QRIYAMXHCIZGCZ-GOSISDBHSA-N 1 0 485.474 4.817 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(F)(F)F)CC1 ZINC001360305548 1065140802 /nfs/dbraw/zinc/14/08/02/1065140802.db2.gz VAYNTXLDLKCEMS-UHFFFAOYSA-N 1 0 480.760 4.890 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001360309378 1065145260 /nfs/dbraw/zinc/14/52/60/1065145260.db2.gz CKZKBJASPNLDRD-GOSISDBHSA-N 1 0 457.619 4.504 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC001360309614 1065146048 /nfs/dbraw/zinc/14/60/48/1065146048.db2.gz ZFVHZQLCHNTSDG-UHFFFAOYSA-N 1 0 478.641 4.727 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2ccccc2Cl)CC1 ZINC001360309878 1065146508 /nfs/dbraw/zinc/14/65/08/1065146508.db2.gz QIIBNXNZIGRJLM-NFBKMPQASA-N 1 0 490.092 4.896 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001360309962 1065146541 /nfs/dbraw/zinc/14/65/41/1065146541.db2.gz TYWNFFPBOBCUCJ-JOCHJYFZSA-N 1 0 491.627 4.546 20 0 JJADRO CCCc1c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)nnn1-c1cccc(Cl)c1 ZINC001360314767 1065149330 /nfs/dbraw/zinc/14/93/30/1065149330.db2.gz SYZPUAQGZHEKGI-SFHVURJKSA-N 1 0 452.002 4.829 20 0 JJADRO COc1ccc(SCCC(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cc1OC ZINC001436061026 1065152699 /nfs/dbraw/zinc/15/26/99/1065152699.db2.gz YZEUGUHENVIMBG-UHFFFAOYSA-N 1 0 457.640 4.603 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320409 1065156215 /nfs/dbraw/zinc/15/62/15/1065156215.db2.gz XLDIIWSBWYEQPV-AJTFRIOCSA-N 1 0 469.674 4.638 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CC[N@H+](C)C2CCCC2)CCOC1 ZINC001360325009 1065165654 /nfs/dbraw/zinc/16/56/54/1065165654.db2.gz WHCUSXQLWURVBS-RUZDIDTESA-N 1 0 494.055 4.622 20 0 JJADRO Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC001360328007 1065170631 /nfs/dbraw/zinc/17/06/31/1065170631.db2.gz XAJJUZFMEADENR-GGAORHGYSA-N 1 0 453.602 4.786 20 0 JJADRO Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001360328008 1065170666 /nfs/dbraw/zinc/17/06/66/1065170666.db2.gz XAJJUZFMEADENR-GMAHTHKFSA-N 1 0 453.602 4.786 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC[NH+]2CCCCC2)CCOC1 ZINC001360329622 1065172278 /nfs/dbraw/zinc/17/22/78/1065172278.db2.gz ASQYNILNSIVXEO-BKMJKUGQSA-N 1 0 461.695 4.600 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC[NH+]2CCCCCC2)CCOC1 ZINC001360331479 1065175661 /nfs/dbraw/zinc/17/56/61/1065175661.db2.gz VFTCNVPQBKYXGT-BKMJKUGQSA-N 1 0 461.695 4.600 20 0 JJADRO C[C@@]1(CNC(=O)COc2ccc(Br)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001436094429 1065176381 /nfs/dbraw/zinc/17/63/81/1065176381.db2.gz AZRVTVMYYUALFF-NRFANRHFSA-N 1 0 451.792 4.510 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)NC[C@]3(C)CC[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC001436095040 1065176467 /nfs/dbraw/zinc/17/64/67/1065176467.db2.gz HOANTFAYPQGGSP-LJAQVGFWSA-N 1 0 455.602 4.567 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCOC1 ZINC001360332638 1065177761 /nfs/dbraw/zinc/17/77/61/1065177761.db2.gz BDBBJMBPNZJMEB-VMODYCNZSA-N 1 0 475.722 4.846 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC(C(C)C)CC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001360335570 1065182649 /nfs/dbraw/zinc/18/26/49/1065182649.db2.gz GITJAEDODRVGHB-QDPGVEIFSA-N 1 0 483.701 4.712 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2CCC(C)(F)F)CCOC1 ZINC001360338287 1065187003 /nfs/dbraw/zinc/18/70/03/1065187003.db2.gz ATKGQNWKPWGJFG-HFZDXXHNSA-N 1 0 497.675 4.845 20 0 JJADRO CC(C)(CNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)C[NH+]1CCCC1 ZINC001436115172 1065189622 /nfs/dbraw/zinc/18/96/22/1065189622.db2.gz JBVVQQVDDCBGDM-UHFFFAOYSA-N 1 0 458.400 4.553 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(I)c(Cl)c2)c1 ZINC001360340629 1065190244 /nfs/dbraw/zinc/19/02/44/1065190244.db2.gz WBAJYYZNQIONOW-UHFFFAOYSA-N 1 0 458.727 4.527 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCCCCCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CCOC1 ZINC001360345703 1065194364 /nfs/dbraw/zinc/19/43/64/1065194364.db2.gz MTNYQHGXFRMALG-BVAGGSTKSA-N 1 0 473.637 4.531 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)CCOC1 ZINC001360352601 1065200037 /nfs/dbraw/zinc/20/00/37/1065200037.db2.gz UIPCMNRXDVSGCR-IMSXRSKXSA-N 1 0 485.664 4.555 20 0 JJADRO CC(C)Oc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)cn1 ZINC001360357166 1065208385 /nfs/dbraw/zinc/20/83/85/1065208385.db2.gz DIVYJVYVYJVMKD-UHFFFAOYSA-N 1 0 499.059 4.662 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001360360000 1065212458 /nfs/dbraw/zinc/21/24/58/1065212458.db2.gz NPPNITHOMYXUAR-SZPZYZBQSA-N 1 0 492.668 4.652 20 0 JJADRO CC(C)Oc1ccccc1Cn1c(N2CC[NH+](CCc3cccs3)CC2)nnc1C(C)(C)C ZINC001360362624 1065218187 /nfs/dbraw/zinc/21/81/87/1065218187.db2.gz VEMXBZPDGOBTQM-UHFFFAOYSA-N 1 0 467.683 4.837 20 0 JJADRO CC1CC[NH+](Cc2ccccc2CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001436160484 1065222099 /nfs/dbraw/zinc/22/20/99/1065222099.db2.gz BDBWADGTARVOMU-UHFFFAOYSA-N 1 0 452.599 4.519 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCCC2)CC1 ZINC001360364734 1065222201 /nfs/dbraw/zinc/22/22/01/1065222201.db2.gz QYKXXRLFWFULRD-UHFFFAOYSA-N 1 0 482.492 4.649 20 0 JJADRO CC(C)OC1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001360366453 1065225021 /nfs/dbraw/zinc/22/50/21/1065225021.db2.gz CBXOGRPKOPTMRJ-ZEQRLZLVSA-N 1 0 497.728 4.735 20 0 JJADRO CC(C)OC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001360367793 1065227314 /nfs/dbraw/zinc/22/73/14/1065227314.db2.gz MJFSKHPKHBLENR-QFIPXVFZSA-N 1 0 488.032 4.800 20 0 JJADRO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001360370452 1065229457 /nfs/dbraw/zinc/22/94/57/1065229457.db2.gz LFMLCHTURZKATB-XMMPIXPASA-N 1 0 483.701 4.747 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545895913 1065231277 /nfs/dbraw/zinc/23/12/77/1065231277.db2.gz HYJZMIQDMQQTSU-OFVILXPXSA-N 1 0 480.701 4.660 20 0 JJADRO CC(C)OCCCCn1c(-c2ccccc2Br)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360379467 1065240391 /nfs/dbraw/zinc/24/03/91/1065240391.db2.gz YDXPDJQBJYFWDY-UHFFFAOYSA-N 1 0 478.479 4.833 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c1 ZINC001436197125 1065244618 /nfs/dbraw/zinc/24/46/18/1065244618.db2.gz VMYHUKFJTASCLG-UHFFFAOYSA-N 1 0 459.518 4.839 20 0 JJADRO CC(C)OCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001360383336 1065245838 /nfs/dbraw/zinc/24/58/38/1065245838.db2.gz QIYYUJLEQQMCHZ-UNMCSNQZSA-N 1 0 476.065 4.951 20 0 JJADRO CCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(Cl)cc1 ZINC001436201169 1065247282 /nfs/dbraw/zinc/24/72/82/1065247282.db2.gz JECSVWKXGPXZQC-HKBOAZHASA-N 1 0 480.834 4.774 20 0 JJADRO CC(C)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001360385750 1065249254 /nfs/dbraw/zinc/24/92/54/1065249254.db2.gz JVJSJWPAHWTXOB-HXUWFJFHSA-N 1 0 469.033 4.519 20 0 JJADRO CC(C)OCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001360386214 1065250131 /nfs/dbraw/zinc/25/01/31/1065250131.db2.gz UWAJIGBCGSXEDK-QHCPKHFHSA-N 1 0 483.701 4.606 20 0 JJADRO CCCc1sc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1Br ZINC001436205864 1065250507 /nfs/dbraw/zinc/25/05/07/1065250507.db2.gz PKFVFNNFQLRFCB-UHFFFAOYSA-N 1 0 451.430 4.866 20 0 JJADRO CC(C)OCCCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360386902 1065251091 /nfs/dbraw/zinc/25/10/91/1065251091.db2.gz SRANMFWMLBMTAK-UHFFFAOYSA-N 1 0 450.631 4.619 20 0 JJADRO CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC001360387122 1065251851 /nfs/dbraw/zinc/25/18/51/1065251851.db2.gz AEZFXPNEFPEIAT-ZEQRLZLVSA-N 1 0 453.652 4.749 20 0 JJADRO CC(C)OCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001360396902 1065261186 /nfs/dbraw/zinc/26/11/86/1065261186.db2.gz BIOLBBKLZVUOSN-UHFFFAOYSA-N 1 0 484.508 4.751 20 0 JJADRO CC(C)OCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001360396964 1065261769 /nfs/dbraw/zinc/26/17/69/1065261769.db2.gz CJSUGASUOKZNFY-UHFFFAOYSA-N 1 0 476.463 4.587 20 0 JJADRO Cc1cc(Cl)cc(Br)c1OC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC001436233821 1065270271 /nfs/dbraw/zinc/27/02/71/1065270271.db2.gz GDOXLPKIYJZSKT-IAGOWNOFSA-N 1 0 454.796 4.564 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(F)(F)F)CC1 ZINC001360409516 1065273203 /nfs/dbraw/zinc/27/32/03/1065273203.db2.gz KJUUMSVPOHQTGK-UHFFFAOYSA-N 1 0 487.979 4.923 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001360409753 1065273801 /nfs/dbraw/zinc/27/38/01/1065273801.db2.gz SDZSGMLHXPONJD-VQTJNVASSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)C(C)C)CC1 ZINC001360410769 1065274687 /nfs/dbraw/zinc/27/46/87/1065274687.db2.gz UPANKACWYZUOJC-UHFFFAOYSA-N 1 0 480.657 4.829 20 0 JJADRO COCCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c(Cl)c1 ZINC001436255958 1065276810 /nfs/dbraw/zinc/27/68/10/1065276810.db2.gz WIKUQGYWQPWHPE-UHFFFAOYSA-N 1 0 453.366 4.744 20 0 JJADRO CCCN(C)c1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001436258961 1065278062 /nfs/dbraw/zinc/27/80/62/1065278062.db2.gz MWRWZRNPRKCPGF-KRWDZBQOSA-N 1 0 459.432 4.688 20 0 JJADRO CC(C)SCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001360416759 1065279882 /nfs/dbraw/zinc/27/98/82/1065279882.db2.gz KVQLMUXFIDORNB-IBGZPJMESA-N 1 0 465.614 4.753 20 0 JJADRO CC(C)SCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001360417048 1065280835 /nfs/dbraw/zinc/28/08/35/1065280835.db2.gz QCVNBTNSARJGNY-UHFFFAOYSA-N 1 0 488.105 4.537 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545896539 1065281282 /nfs/dbraw/zinc/28/12/82/1065281282.db2.gz VBGBEDXFUUMMSW-OFNKIYASSA-N 1 0 458.695 4.620 20 0 JJADRO CC(C)SCCn1c(Cc2ccsc2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001360422633 1065288953 /nfs/dbraw/zinc/28/89/53/1065288953.db2.gz GGJJSOFDYWYTRM-JOCHJYFZSA-N 1 0 455.697 4.783 20 0 JJADRO COc1ccc(Br)cc1C1(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001436363715 1065302587 /nfs/dbraw/zinc/30/25/87/1065302587.db2.gz BWZBHMFNWUXVIQ-UHFFFAOYSA-N 1 0 457.412 4.660 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@]1(C)CCCS1 ZINC001545897493 1065305703 /nfs/dbraw/zinc/30/57/03/1065305703.db2.gz AJLPPZCLCMRCDO-UZINWLIJSA-N 1 0 490.762 4.573 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@@]1(C)CCCS1 ZINC001545897491 1065305821 /nfs/dbraw/zinc/30/58/21/1065305821.db2.gz AJLPPZCLCMRCDO-IPVFLDMMSA-N 1 0 490.762 4.573 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCc1ccc(C)cc1 ZINC001545897756 1065310199 /nfs/dbraw/zinc/31/01/99/1065310199.db2.gz GCLIBTYBBIRISA-NOZRDPDXSA-N 1 0 494.728 4.838 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCc1ccc(C)cc1 ZINC001545897758 1065310273 /nfs/dbraw/zinc/31/02/73/1065310273.db2.gz GCLIBTYBBIRISA-ZCYQVOJMSA-N 1 0 494.728 4.838 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1CC=CCC1 ZINC001545897956 1065314037 /nfs/dbraw/zinc/31/40/37/1065314037.db2.gz JYIWYLHCMGDDIH-GOTSBHOMSA-N 1 0 470.706 4.501 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360437168 1065317062 /nfs/dbraw/zinc/31/70/62/1065317062.db2.gz DWQFECJTARUGBE-DUWWHKKTSA-N 1 0 489.705 4.971 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)C(C)C ZINC001360437098 1065317284 /nfs/dbraw/zinc/31/72/84/1065317284.db2.gz COQKSQXTZYTNKV-NRFANRHFSA-N 1 0 497.638 4.620 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N(C)c1nnc(Cc2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360437300 1065317808 /nfs/dbraw/zinc/31/78/08/1065317808.db2.gz HBVIYLSFQHXTPN-FQEVSTJZSA-N 1 0 450.606 4.722 20 0 JJADRO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C)c1cccs1 ZINC001436435752 1065318900 /nfs/dbraw/zinc/31/89/00/1065318900.db2.gz YYEIWUPWKHWJRD-ZEQRLZLVSA-N 1 0 455.668 4.507 20 0 JJADRO C[C@H](c1ccc(F)cc1F)N1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001360438380 1065319764 /nfs/dbraw/zinc/31/97/64/1065319764.db2.gz XXXUXAGHJDLJRJ-HXUWFJFHSA-N 1 0 474.644 4.514 20 0 JJADRO C[C@@H](c1ccc(F)cc1)N(C)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCCCC1 ZINC001360438331 1065319815 /nfs/dbraw/zinc/31/98/15/1065319815.db2.gz XQJTZIZNPNLWMW-FQEVSTJZSA-N 1 0 450.606 4.865 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC001360439335 1065321821 /nfs/dbraw/zinc/32/18/21/1065321821.db2.gz HYMCIRUVKMVHAW-HXUWFJFHSA-N 1 0 475.703 4.655 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360440493 1065324440 /nfs/dbraw/zinc/32/44/40/1065324440.db2.gz SMUJLOYENSBOOX-MVJGVESJSA-N 1 0 494.690 4.639 20 0 JJADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360442755 1065328071 /nfs/dbraw/zinc/32/80/71/1065328071.db2.gz RWEJHQPMGCUANO-HDCDIIAKSA-N 1 0 487.714 4.577 20 0 JJADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCCC1 ZINC001360444009 1065330632 /nfs/dbraw/zinc/33/06/32/1065330632.db2.gz LFVQLSKQUNIDRQ-FQEVSTJZSA-N 1 0 482.673 4.895 20 0 JJADRO C[C@@H](c1ccccc1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360451237 1065343658 /nfs/dbraw/zinc/34/36/58/1065343658.db2.gz XWYQADUPZVBUEE-GBXCKJPGSA-N 1 0 496.700 4.930 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360451242 1065343698 /nfs/dbraw/zinc/34/36/98/1065343698.db2.gz XWYQADUPZVBUEE-YKSBVNFPSA-N 1 0 496.700 4.930 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)C2=Cc3cc(Br)ccc3OC2)[NH+](CC)CC)cc1 ZINC001436540448 1065351447 /nfs/dbraw/zinc/35/14/47/1065351447.db2.gz AXYLXEGQNWMBHZ-JOCHJYFZSA-N 1 0 457.412 4.987 20 0 JJADRO C[C@@H](c1ccccc1F)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360454716 1065352746 /nfs/dbraw/zinc/35/27/46/1065352746.db2.gz PSKZIRYFUSPQFX-IBGZPJMESA-N 1 0 498.672 4.871 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001360458893 1065358963 /nfs/dbraw/zinc/35/89/63/1065358963.db2.gz BBADMKFREREECB-YIXXDRMTSA-N 1 0 455.602 4.845 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(COc2ccccc2F)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360460538 1065362568 /nfs/dbraw/zinc/36/25/68/1065362568.db2.gz BKJKAWAVYIJVJA-LJQANCHMSA-N 1 0 455.578 4.909 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001360462732 1065371359 /nfs/dbraw/zinc/37/13/59/1065371359.db2.gz KZGCEXUQGRXOET-WOJBJXKFSA-N 1 0 488.702 4.747 20 0 JJADRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC001436601461 1065394138 /nfs/dbraw/zinc/39/41/38/1065394138.db2.gz WWOSMMBMMKEZNH-ZRZAMGCNSA-N 1 0 457.659 4.583 20 0 JJADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001436602069 1065394743 /nfs/dbraw/zinc/39/47/43/1065394743.db2.gz XCIJEWINCWSKNK-SFHVURJKSA-N 1 0 458.484 4.788 20 0 JJADRO CCOC(=O)c1cc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]c1C ZINC001436619475 1065400958 /nfs/dbraw/zinc/40/09/58/1065400958.db2.gz SXBRYMWYQVZPGB-VWLOTQADSA-N 1 0 451.611 4.797 20 0 JJADRO CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC=CC1 ZINC001436631801 1065408225 /nfs/dbraw/zinc/40/82/25/1065408225.db2.gz NOIZTSOLLHHTKR-BJKOFHAPSA-N 1 0 464.581 4.588 20 0 JJADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001436634796 1065409822 /nfs/dbraw/zinc/40/98/22/1065409822.db2.gz KVXSKCXBOLBVIW-SFHVURJKSA-N 1 0 455.400 4.849 20 0 JJADRO C[C@H](Cc1cccs1)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360499473 1065420680 /nfs/dbraw/zinc/42/06/80/1065420680.db2.gz FZGQFUVWFQDYME-HXUWFJFHSA-N 1 0 454.688 4.782 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360503428 1065431388 /nfs/dbraw/zinc/43/13/88/1065431388.db2.gz LCUFBCVWUZTQRH-YKSBVNFPSA-N 1 0 464.658 4.567 20 0 JJADRO C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1cccs1)[N@H+](C)Cc1ccccc1 ZINC001360504786 1065436556 /nfs/dbraw/zinc/43/65/56/1065436556.db2.gz BXIBPDMGMRJRTK-RTWAWAEBSA-N 1 0 480.682 4.684 20 0 JJADRO C[C@@H](CCn1c(-c2ccccc2F)nnc1N1CCC=C(Br)C1)[NH+]1CCCCC1 ZINC001360504863 1065437719 /nfs/dbraw/zinc/43/77/19/1065437719.db2.gz CTVSQHXKWNBAIC-KRWDZBQOSA-N 1 0 462.411 4.838 20 0 JJADRO C[C@H](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCOCC1)[NH+]1CCCCC1 ZINC001360504876 1065438125 /nfs/dbraw/zinc/43/81/25/1065438125.db2.gz CWWKBZUBXIGAOF-QGZVFWFLSA-N 1 0 452.430 4.743 20 0 JJADRO C[C@@H](CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccccn1)[NH+]1CCCCC1 ZINC001360505073 1065439203 /nfs/dbraw/zinc/43/92/03/1065439203.db2.gz HLDIWVXEKLSINP-IBGZPJMESA-N 1 0 470.568 4.842 20 0 JJADRO C[C@H](CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC(C)(C)C1)[NH+]1CCCCC1 ZINC001360505298 1065439927 /nfs/dbraw/zinc/43/99/27/1065439927.db2.gz LORZQKAWHBECPI-HXUWFJFHSA-N 1 0 487.092 4.752 20 0 JJADRO C[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC001360505490 1065441440 /nfs/dbraw/zinc/44/14/40/1065441440.db2.gz PFXHGNLVAYPODR-ZWKOTPCHSA-N 1 0 471.447 4.935 20 0 JJADRO C[C@@H](CCn1c(-c2ccccc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360505700 1065442386 /nfs/dbraw/zinc/44/23/86/1065442386.db2.gz SPFVJUCZCJMALQ-GOTSBHOMSA-N 1 0 496.700 4.903 20 0 JJADRO CC(C)n1nc(-c2nnc(N(C)CC(C)(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001360508337 1065447071 /nfs/dbraw/zinc/44/70/71/1065447071.db2.gz AFYMHOJSICCOQP-OAQYLSRUSA-N 1 0 493.700 4.983 20 0 JJADRO C[C@H](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360508582 1065447086 /nfs/dbraw/zinc/44/70/86/1065447086.db2.gz FORDHJPDCGTFMV-FYYLOGMGSA-N 1 0 464.658 4.968 20 0 JJADRO C[C@@H](CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001360508821 1065447977 /nfs/dbraw/zinc/44/79/77/1065447977.db2.gz JGEUIUJELIFKKX-ZCNNSNEGSA-N 1 0 456.585 4.911 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC001360508844 1065449052 /nfs/dbraw/zinc/44/90/52/1065449052.db2.gz JMUWGDDYVORZDZ-FCEUIQTBSA-N 1 0 461.601 4.912 20 0 JJADRO C[C@H](CCn1c([C@H]2CCOC2)nnc1N1CC=C(C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360509369 1065449649 /nfs/dbraw/zinc/44/96/49/1065449649.db2.gz RBTUDBNLTUIRNY-GGAORHGYSA-N 1 0 451.659 4.875 20 0 JJADRO C[C@@H](CCn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509418 1065449660 /nfs/dbraw/zinc/44/96/60/1065449660.db2.gz RQNNSLBPIHYQJP-XUZZJYLKSA-N 1 0 496.700 4.950 20 0 JJADRO C[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCC(OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360510167 1065452640 /nfs/dbraw/zinc/45/26/40/1065452640.db2.gz FMEZLLZDRWDJEB-QHCPKHFHSA-N 1 0 490.696 4.958 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)[NH+]1CCCCC1 ZINC001360510345 1065453371 /nfs/dbraw/zinc/45/33/71/1065453371.db2.gz IQMBEULSRBBLMB-XXBNENTESA-N 1 0 475.628 4.987 20 0 JJADRO Cc1nn(-c2ccc(C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)cc2)c(C)c1Br ZINC001360511714 1065457305 /nfs/dbraw/zinc/45/73/05/1065457305.db2.gz UHAYHBAHTDYQDK-INIZCTEOSA-N 1 0 455.400 4.502 20 0 JJADRO C[C@@H](CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360511601 1065457357 /nfs/dbraw/zinc/45/73/57/1065457357.db2.gz YUVBVQGHABHETJ-QHCPKHFHSA-N 1 0 494.728 4.616 20 0 JJADRO C[C@H](CCn1c(CCOc2ccccc2)nnc1N1CCC=C(Br)C1)[NH+]1CCCCC1 ZINC001360511747 1065458143 /nfs/dbraw/zinc/45/81/43/1065458143.db2.gz ZNXNLFGOLWKKGB-HXUWFJFHSA-N 1 0 488.474 4.653 20 0 JJADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001360515399 1065473297 /nfs/dbraw/zinc/47/32/97/1065473297.db2.gz HSOIXKJGSVUXOG-FCHUYYIVSA-N 1 0 488.721 4.751 20 0 JJADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001360516213 1065476746 /nfs/dbraw/zinc/47/67/46/1065476746.db2.gz OWCNODDSSJHGIL-VXKWHMMOSA-N 1 0 490.737 4.682 20 0 JJADRO CCCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001436969900 1065483842 /nfs/dbraw/zinc/48/38/42/1065483842.db2.gz SDXFZROLTRRSFD-XMMPIXPASA-N 1 0 451.636 4.706 20 0 JJADRO CCCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001436969891 1065483850 /nfs/dbraw/zinc/48/38/50/1065483850.db2.gz SDXFZROLTRRSFD-DEOSSOPVSA-N 1 0 451.636 4.706 20 0 JJADRO C[C@H](CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCC[C@@H]1C)c1nccs1 ZINC001360519288 1065485214 /nfs/dbraw/zinc/48/52/14/1065485214.db2.gz KKEYTXINBJIARR-SJORKVTESA-N 1 0 476.597 4.727 20 0 JJADRO C[C@@H](CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCCC1)c1nccs1 ZINC001360519691 1065488424 /nfs/dbraw/zinc/48/84/24/1065488424.db2.gz RNCGGRUIOQAFLT-HNNXBMFYSA-N 1 0 493.450 4.639 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1CC[N@H+](C)C1CCCCC1 ZINC001545903809 1065491937 /nfs/dbraw/zinc/49/19/37/1065491937.db2.gz INBJDEHAAYBUJE-NRFANRHFSA-N 1 0 472.703 4.864 20 0 JJADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1cc(N2CCNC2=O)ccc1Cl ZINC001437005013 1065492722 /nfs/dbraw/zinc/49/27/22/1065492722.db2.gz FQLTZUCNXKHFCY-UHFFFAOYSA-N 1 0 459.015 4.700 20 0 JJADRO COc1ccc(CC[C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001360524216 1065499092 /nfs/dbraw/zinc/49/90/92/1065499092.db2.gz WCJQOISFBDQPDD-JWQCQUIFSA-N 1 0 450.623 4.930 20 0 JJADRO C[C@@H](CN(C)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+](C)C)CCCC1)c1nccs1 ZINC001360525830 1065502781 /nfs/dbraw/zinc/50/27/81/1065502781.db2.gz ACJZIOORZOYXOH-KRWDZBQOSA-N 1 0 474.625 4.718 20 0 JJADRO C[C@H](CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccccc1)[NH+](C)C)c1nccs1 ZINC001360526417 1065504833 /nfs/dbraw/zinc/50/48/33/1065504833.db2.gz LGSWIFIEYZNVHA-NQIIRXRSSA-N 1 0 466.680 4.930 20 0 JJADRO C[C@@H](CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccccc1)[NH+](C)C)c1nccs1 ZINC001360526416 1065504884 /nfs/dbraw/zinc/50/48/84/1065504884.db2.gz LGSWIFIEYZNVHA-GHTZIAJQSA-N 1 0 466.680 4.930 20 0 JJADRO C[C@@H](CN(C)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCc2ccccc2C1)c1nccs1 ZINC001360526840 1065506023 /nfs/dbraw/zinc/50/60/23/1065506023.db2.gz URTHHURQUKLQFF-IBGZPJMESA-N 1 0 452.672 4.621 20 0 JJADRO C[NH+](C)CCn1ncc(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c1-c1ccccc1 ZINC001437091820 1065509137 /nfs/dbraw/zinc/50/91/37/1065509137.db2.gz QDZMIDCSVPHDKO-UHFFFAOYSA-N 1 0 452.864 4.916 20 0 JJADRO C[C@@H](CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001360530270 1065510456 /nfs/dbraw/zinc/51/04/56/1065510456.db2.gz WAJOUUGKGKIHJV-LSUHJGNXSA-N 1 0 496.700 4.629 20 0 JJADRO C[C@H](CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001360530271 1065510555 /nfs/dbraw/zinc/51/05/55/1065510555.db2.gz WAJOUUGKGKIHJV-OUJCMCIWSA-N 1 0 496.700 4.629 20 0 JJADRO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001437176777 1065516726 /nfs/dbraw/zinc/51/67/26/1065516726.db2.gz AWVZNPKSUQXXRY-SOUVJXGZSA-N 1 0 454.398 4.999 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCc1cccs1)[N@H+](C)C1CC1 ZINC001360540278 1065524899 /nfs/dbraw/zinc/52/48/99/1065524899.db2.gz FYCKCCVGVXJBBE-INIZCTEOSA-N 1 0 474.472 4.931 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CCCC1)[NH+](C)C ZINC001360540292 1065524999 /nfs/dbraw/zinc/52/49/99/1065524999.db2.gz GDBBRPFDKQDTTP-AWEZNQCLSA-N 1 0 454.844 4.938 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC001360541132 1065527533 /nfs/dbraw/zinc/52/75/33/1065527533.db2.gz IFCAAMJUWGUGTO-UONOGXRCSA-N 1 0 459.919 4.999 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)NCCc1ccc2c(c1)OC(F)(F)O2)c1cccc(C(F)(F)F)c1 ZINC001437271840 1065527889 /nfs/dbraw/zinc/52/78/89/1065527889.db2.gz WLGNFAXFJBXWCW-LJQANCHMSA-N 1 0 458.427 4.769 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001360541303 1065527890 /nfs/dbraw/zinc/52/78/90/1065527890.db2.gz OHGBOXZDSDGOAI-LALPHHSUSA-N 1 0 494.787 4.946 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1Cc1cccs1)[NH+](C)C ZINC001360541545 1065528564 /nfs/dbraw/zinc/52/85/64/1065528564.db2.gz QVOIRXLOVZRMPA-HUUCEWRRSA-N 1 0 480.501 4.992 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cccs2)CC1)[NH+](C)C ZINC001360541512 1065528631 /nfs/dbraw/zinc/52/86/31/1065528631.db2.gz QGPVRSUFNXGFOB-OAHLLOKOSA-N 1 0 465.454 4.590 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1)[NH+](C)C ZINC001360541701 1065529197 /nfs/dbraw/zinc/52/91/97/1065529197.db2.gz SDSMSGIOYDRKLB-INIZCTEOSA-N 1 0 458.031 4.709 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1)[NH+](C)C ZINC001360541702 1065529309 /nfs/dbraw/zinc/52/93/09/1065529309.db2.gz SDSMSGIOYDRKLB-MRXNPFEDSA-N 1 0 458.031 4.709 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC001360542627 1065532041 /nfs/dbraw/zinc/53/20/41/1065532041.db2.gz ZVEJPWJZTLTWDM-INIZCTEOSA-N 1 0 460.960 4.532 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(F)F)C1)[N@H+](C)C1CC1 ZINC001360544421 1065533961 /nfs/dbraw/zinc/53/39/61/1065533961.db2.gz IVZXKBIKEQPAEC-HUUCEWRRSA-N 1 0 468.390 4.672 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[N@H+](C)C1CC1 ZINC001360544782 1065534829 /nfs/dbraw/zinc/53/48/29/1065534829.db2.gz PTASESHDZCBIMZ-CQSZACIVSA-N 1 0 450.534 4.540 20 0 JJADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccc(F)cc1 ZINC001360545610 1065536549 /nfs/dbraw/zinc/53/65/49/1065536549.db2.gz HDZARMURIFRRMN-HXUWFJFHSA-N 1 0 452.622 4.785 20 0 JJADRO CC(C)c1nc(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)nn1-c1ccccc1F ZINC001437322170 1065537682 /nfs/dbraw/zinc/53/76/82/1065537682.db2.gz VHNJPHUVESLQQZ-UHFFFAOYSA-N 1 0 453.587 4.970 20 0 JJADRO C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC001360549790 1065541897 /nfs/dbraw/zinc/54/18/97/1065541897.db2.gz ZDDHFOHCMBSMEB-HRAATJIYSA-N 1 0 487.421 4.732 20 0 JJADRO C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[NH+](C)C ZINC001360552899 1065543844 /nfs/dbraw/zinc/54/38/44/1065543844.db2.gz DKIFXCOSDYPGGA-CQSZACIVSA-N 1 0 491.543 4.662 20 0 JJADRO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001437380516 1065545298 /nfs/dbraw/zinc/54/52/98/1065545298.db2.gz FBOQXDYFSVYUTB-JOCHJYFZSA-N 1 0 453.627 4.541 20 0 JJADRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360558964 1065548620 /nfs/dbraw/zinc/54/86/20/1065548620.db2.gz VXKUULVOTBJYDA-YADHBBJMSA-N 1 0 488.721 4.893 20 0 JJADRO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(C1)CCCCC2)[NH+](C)C ZINC001360563427 1065553001 /nfs/dbraw/zinc/55/30/01/1065553001.db2.gz KJNOSFJXBKKFND-FQEVSTJZSA-N 1 0 474.694 4.503 20 0 JJADRO C[C@H](c1ccccc1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001360562759 1065553106 /nfs/dbraw/zinc/55/31/06/1065553106.db2.gz FRTKUBFIXRMZHA-VQTJNVASSA-N 1 0 470.662 4.540 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1)[N@H+](C)Cc1ccccc1 ZINC001360564015 1065554942 /nfs/dbraw/zinc/55/49/42/1065554942.db2.gz NJTGGQBJLZYWBS-IEBWSBKVSA-N 1 0 464.441 4.592 20 0 JJADRO CC[NH+](CC)CCN(C(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001437469582 1065557084 /nfs/dbraw/zinc/55/70/84/1065557084.db2.gz XPTHRXPMYCVOBY-WIYYLYMNSA-N 1 0 453.023 4.542 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1)[N@H+](C)Cc1ccccc1 ZINC001360568953 1065561421 /nfs/dbraw/zinc/56/14/21/1065561421.db2.gz HLTOVXMSZDPJGN-GMAHTHKFSA-N 1 0 463.674 4.505 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001545907289 1065562382 /nfs/dbraw/zinc/56/23/82/1065562382.db2.gz FLCRNZGPWJPIPW-LEWJYISDSA-N 1 0 468.690 4.952 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)N(C)c1ccccc1 ZINC001360571525 1065565248 /nfs/dbraw/zinc/56/52/48/1065565248.db2.gz XHMLTWWHORIPFH-GOTSBHOMSA-N 1 0 452.691 4.704 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](SC)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001545907394 1065565474 /nfs/dbraw/zinc/56/54/74/1065565474.db2.gz HSVGUSKVHHLWJB-RPWUZVMVSA-N 1 0 498.741 4.583 20 0 JJADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC001360573236 1065567236 /nfs/dbraw/zinc/56/72/36/1065567236.db2.gz IATZQRPQJVZSMD-INIZCTEOSA-N 1 0 476.522 4.541 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001437554722 1065573526 /nfs/dbraw/zinc/57/35/26/1065573526.db2.gz XMMUFWTVYGFMBB-JIMJEQGWSA-N 1 0 477.649 4.808 20 0 JJADRO C[C@@H](Cn1c(CC2CCCC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001360578467 1065573989 /nfs/dbraw/zinc/57/39/89/1065573989.db2.gz JJUFBOPQTGDQPZ-JXFKEZNVSA-N 1 0 466.443 4.870 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CC=C(C(C)(C)C)CC1)[NH+](C)C ZINC001360583699 1065581957 /nfs/dbraw/zinc/58/19/57/1065581957.db2.gz HVMLWGUWDBRLEQ-KRWDZBQOSA-N 1 0 476.463 4.752 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360583923 1065583081 /nfs/dbraw/zinc/58/30/81/1065583081.db2.gz NOZLTASRVNUIGF-HRAATJIYSA-N 1 0 496.483 4.898 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CC(F)(F)C1)[NH+](C)C ZINC001360583903 1065583226 /nfs/dbraw/zinc/58/32/26/1065583226.db2.gz MXNJVVDRENVQDU-CYBMUJFWSA-N 1 0 462.372 4.596 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)[N@H+](C)C1CC1 ZINC001360584547 1065584381 /nfs/dbraw/zinc/58/43/81/1065584381.db2.gz XQYYNVLMYVDYNZ-PMACEKPBSA-N 1 0 469.674 4.641 20 0 JJADRO C[C@H](Cn1c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C)c1nccs1 ZINC001360587762 1065589851 /nfs/dbraw/zinc/58/98/51/1065589851.db2.gz TXGDOULQWDAFTK-GOSISDBHSA-N 1 0 456.635 4.687 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1)[NH+](C)C ZINC001360590323 1065594963 /nfs/dbraw/zinc/59/49/63/1065594963.db2.gz HJRZEHSCPRJFBB-NQHRYMMQSA-N 1 0 483.701 4.580 20 0 JJADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001437733298 1065597057 /nfs/dbraw/zinc/59/70/57/1065597057.db2.gz ZOBDRJBAWOYLQT-DHIUTWEWSA-N 1 0 459.675 4.931 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+](C)C ZINC001360591067 1065597814 /nfs/dbraw/zinc/59/78/14/1065597814.db2.gz WDYFONNXJVCISB-QUCCMNQESA-N 1 0 476.691 4.777 20 0 JJADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001360591359 1065598512 /nfs/dbraw/zinc/59/85/12/1065598512.db2.gz BSKPVTGCTMBCST-QFIPXVFZSA-N 1 0 494.728 4.716 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCCC1(C)C)C[NH+]1CCCC1 ZINC001360591493 1065598909 /nfs/dbraw/zinc/59/89/09/1065598909.db2.gz DMZLUMRZVNMMGM-OAHLLOKOSA-N 1 0 452.466 4.880 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360591729 1065599083 /nfs/dbraw/zinc/59/90/83/1065599083.db2.gz IPYZOTGVVDILSU-IAGOWNOFSA-N 1 0 463.468 4.640 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360592077 1065599490 /nfs/dbraw/zinc/59/94/90/1065599490.db2.gz OZKSRTMENIMKAD-NQIIRXRSSA-N 1 0 490.490 4.691 20 0 JJADRO C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC001360592540 1065601754 /nfs/dbraw/zinc/60/17/54/1065601754.db2.gz XJVTVGCANYFFRQ-QWFCFKBJSA-N 1 0 464.079 4.745 20 0 JJADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593435 1065603228 /nfs/dbraw/zinc/60/32/28/1065603228.db2.gz GYPNVVOSWIQVGN-NZQKXSOJSA-N 1 0 473.637 4.512 20 0 JJADRO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCCCCC1)C[NH+]1CCCC1 ZINC001360593600 1065603397 /nfs/dbraw/zinc/60/33/97/1065603397.db2.gz IGGYRAOFVUYVRK-FDFHNCONSA-N 1 0 474.694 4.551 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001360593965 1065603958 /nfs/dbraw/zinc/60/39/58/1065603958.db2.gz MQEQJILDXZMWJD-AVRDEDQJSA-N 1 0 496.483 4.757 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593925 1065604202 /nfs/dbraw/zinc/60/42/02/1065604202.db2.gz KOULRZCWLQWQCO-WIYYLYMNSA-N 1 0 490.490 4.691 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC001360594440 1065604932 /nfs/dbraw/zinc/60/49/32/1065604932.db2.gz OAYBAUCWLYLSOS-INIZCTEOSA-N 1 0 468.390 4.675 20 0 JJADRO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cc(Cl)ccn1)C[NH+]1CCCC1 ZINC001360594723 1065605625 /nfs/dbraw/zinc/60/56/25/1065605625.db2.gz UCVUNRLYCSDXCE-QGZVFWFLSA-N 1 0 474.987 4.564 20 0 JJADRO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC(C)(C)C1)C[NH+]1CCCC1 ZINC001360594960 1065605648 /nfs/dbraw/zinc/60/56/48/1065605648.db2.gz WMXNHJHDMVCGLJ-MYGLTJDJSA-N 1 0 488.721 4.653 20 0 JJADRO C[C@@H](Cn1c(COc2ccccc2F)nnc1N(C)[C@H](C)c1cccs1)C[NH+]1CCCC1 ZINC001360595395 1065606635 /nfs/dbraw/zinc/60/66/35/1065606635.db2.gz ZWLBCRWCTWQBPX-RTBURBONSA-N 1 0 457.619 4.987 20 0 JJADRO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC001360596547 1065609232 /nfs/dbraw/zinc/60/92/32/1065609232.db2.gz BZVZCGXMUCBWRK-OALUTQOASA-N 1 0 454.569 4.938 20 0 JJADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC001360596549 1065609720 /nfs/dbraw/zinc/60/97/20/1065609720.db2.gz BZVZCGXMUCBWRK-RTBURBONSA-N 1 0 454.569 4.938 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1CCSC1)C[NH+]1CCCCC1 ZINC001360596582 1065609878 /nfs/dbraw/zinc/60/98/78/1065609878.db2.gz COSGKKREOCBUOJ-XLIONFOSSA-N 1 0 478.504 4.771 20 0 JJADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360596750 1065610551 /nfs/dbraw/zinc/61/05/51/1065610551.db2.gz GONZVUOQXQTISV-SIKLNZKXSA-N 1 0 477.600 4.674 20 0 JJADRO CC(C)c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360596800 1065611235 /nfs/dbraw/zinc/61/12/35/1065611235.db2.gz HMUAWMJJOPJEQD-MDNUFGMLSA-N 1 0 488.721 4.653 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)C1CCC1)C[NH+]1CCCCC1 ZINC001360596829 1065611245 /nfs/dbraw/zinc/61/12/45/1065611245.db2.gz HYZNEACAAWTMNC-OAHLLOKOSA-N 1 0 452.466 4.880 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC001360597586 1065614566 /nfs/dbraw/zinc/61/45/66/1065614566.db2.gz PWBNSPCFPRDXLS-VQTJNVASSA-N 1 0 490.490 4.692 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597963 1065616037 /nfs/dbraw/zinc/61/60/37/1065616037.db2.gz UAVUFKWSPWKENQ-IBVKSMDESA-N 1 0 457.638 4.848 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)S[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360597972 1065616794 /nfs/dbraw/zinc/61/67/94/1065616794.db2.gz UCEGIVYLTCRPHN-QYZOEREBSA-N 1 0 479.641 4.999 20 0 JJADRO CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360598473 1065618438 /nfs/dbraw/zinc/61/84/38/1065618438.db2.gz YCNXUFSGSCONDG-QZTJIDSGSA-N 1 0 452.068 4.816 20 0 JJADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC001360598429 1065618454 /nfs/dbraw/zinc/61/84/54/1065618454.db2.gz BCSQHNMCPFQZCO-NHCUHLMSSA-N 1 0 450.606 4.722 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(F)c1)C[NH+]1CCCCC1 ZINC001360598492 1065618480 /nfs/dbraw/zinc/61/84/80/1065618480.db2.gz YLCFPBQLLUKLEZ-GOSISDBHSA-N 1 0 456.997 4.891 20 0 JJADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001360598563 1065618973 /nfs/dbraw/zinc/61/89/73/1065618973.db2.gz ZNNUUZRUJJIKIH-HXUWFJFHSA-N 1 0 453.034 4.794 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)C[NH+]1CCCCC1 ZINC001360598686 1065619010 /nfs/dbraw/zinc/61/90/10/1065619010.db2.gz DDGZFULYMFPKSV-VXKWHMMOSA-N 1 0 470.681 4.843 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001360601475 1065624080 /nfs/dbraw/zinc/62/40/80/1065624080.db2.gz AFWKXQJCAILAFR-DVECYGJZSA-N 1 0 496.121 4.792 20 0 JJADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360601607 1065624684 /nfs/dbraw/zinc/62/46/84/1065624684.db2.gz CVHBUOFTLPYMHQ-WZONZLPQSA-N 1 0 499.647 4.582 20 0 JJADRO C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360601965 1065625391 /nfs/dbraw/zinc/62/53/91/1065625391.db2.gz KEJYPRRIBSDZTM-VWNXMTODSA-N 1 0 486.749 4.512 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(Nc2ccn(C)n2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360601913 1065625470 /nfs/dbraw/zinc/62/54/70/1065625470.db2.gz JEHLEBXAHRAGAJ-ZWKOTPCHSA-N 1 0 458.010 4.671 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(F)(F)C1)C[NH+]1CCCCC1 ZINC001360601975 1065625538 /nfs/dbraw/zinc/62/55/38/1065625538.db2.gz KHZVNKNBDZAMDC-QGZVFWFLSA-N 1 0 498.416 4.587 20 0 JJADRO C[C@@H](Cn1c(N(Cc2ccccc2)C[C@@H]2CCCO2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360602657 1065627048 /nfs/dbraw/zinc/62/70/48/1065627048.db2.gz QAELYHIEOVBNLC-VWNXMTODSA-N 1 0 453.675 4.883 20 0 JJADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H](C)c1cccs1)C[NH+]1CCOCC1 ZINC001360602882 1065628119 /nfs/dbraw/zinc/62/81/19/1065628119.db2.gz DMHDZKIZBHPQBQ-ROUUACIJSA-N 1 0 491.608 4.774 20 0 JJADRO C[C@H](Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360603605 1065628659 /nfs/dbraw/zinc/62/86/59/1065628659.db2.gz VTFQYULEQHLPNW-IPMKNSEASA-N 1 0 483.554 4.753 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC001360603789 1065628815 /nfs/dbraw/zinc/62/88/15/1065628815.db2.gz JNMCQWJCEIKBCD-UXHICEINSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001360603967 1065629556 /nfs/dbraw/zinc/62/95/56/1065629556.db2.gz XWQLSJRNSHASHV-QHCPKHFHSA-N 1 0 453.675 4.894 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC001360603981 1065629695 /nfs/dbraw/zinc/62/96/95/1065629695.db2.gz YDNMPFRRJCMIHH-GOTSBHOMSA-N 1 0 483.701 4.749 20 0 JJADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC001360607490 1065634412 /nfs/dbraw/zinc/63/44/12/1065634412.db2.gz XYWCYERBSQVLLU-RTWAWAEBSA-N 1 0 474.093 4.896 20 0 JJADRO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001360609419 1065640603 /nfs/dbraw/zinc/64/06/03/1065640603.db2.gz FJAGDWFMMFICKE-NRFANRHFSA-N 1 0 488.721 4.799 20 0 JJADRO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360611996 1065650979 /nfs/dbraw/zinc/65/09/79/1065650979.db2.gz WFTUMJNUZLLUSZ-ZJSXRUAMSA-N 1 0 496.700 4.807 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)/C=C\c2ccnc3ccccc23)C1 ZINC001438032367 1065655871 /nfs/dbraw/zinc/65/58/71/1065655871.db2.gz JCFAKWIESJMDMC-VUBAQRPUSA-N 1 0 450.380 4.920 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)/C=C/c2ccnc3ccccc23)C1 ZINC001438032365 1065656013 /nfs/dbraw/zinc/65/60/13/1065656013.db2.gz JCFAKWIESJMDMC-GPVYEGESSA-N 1 0 450.380 4.920 20 0 JJADRO C[C@H](COCc1ccccc1)Cn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360613826 1065658566 /nfs/dbraw/zinc/65/85/66/1065658566.db2.gz IAOZQAQQFORXED-LADGPHEKSA-N 1 0 469.674 4.683 20 0 JJADRO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001438056687 1065660280 /nfs/dbraw/zinc/66/02/80/1065660280.db2.gz ITWSAAQEHXUFCU-HXUWFJFHSA-N 1 0 451.586 4.842 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1C(F)(F)F ZINC001360620090 1065666486 /nfs/dbraw/zinc/66/64/86/1065666486.db2.gz NBVCNZHYCGAIHM-UHFFFAOYSA-N 1 0 455.484 4.968 20 0 JJADRO Cc1c(C(=O)Nc2cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc(Cl)c2Cl)ccn1C ZINC001438094533 1065669311 /nfs/dbraw/zinc/66/93/11/1065669311.db2.gz JVJCIBXWZXZZHL-MRXNPFEDSA-N 1 0 453.414 4.599 20 0 JJADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccncc2)c1 ZINC001438094023 1065669322 /nfs/dbraw/zinc/66/93/22/1065669322.db2.gz DVOFMKXEUXXFRH-GBESFXJTSA-N 1 0 477.436 4.837 20 0 JJADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)/C=C/c2ccco2)c1 ZINC001438095041 1065669998 /nfs/dbraw/zinc/66/99/98/1065669998.db2.gz OANOZKRWTRDLDD-WAVCKPEOSA-N 1 0 452.382 4.944 20 0 JJADRO C[C@H](N1CCN(c2nnc(-c3ccccc3)n2CCCCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001360631917 1065682378 /nfs/dbraw/zinc/68/23/78/1065682378.db2.gz DOLKNPNJJJMPMR-NRFANRHFSA-N 1 0 478.607 4.674 20 0 JJADRO C[C@@H](N1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1)C(F)(F)F ZINC001360632379 1065684761 /nfs/dbraw/zinc/68/47/61/1065684761.db2.gz ODMDGODBTDIQFI-GCJKJVERSA-N 1 0 496.597 4.668 20 0 JJADRO C[C@H](N1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1)C(F)(F)F ZINC001360636270 1065692329 /nfs/dbraw/zinc/69/23/29/1065692329.db2.gz CYJYJQDBRSRSGT-RXVVDRJESA-N 1 0 498.663 4.514 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001360636958 1065696924 /nfs/dbraw/zinc/69/69/24/1065696924.db2.gz OJJZMLYXYPKTAP-UPVQGACJSA-N 1 0 496.700 4.951 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001360638746 1065704231 /nfs/dbraw/zinc/70/42/31/1065704231.db2.gz IFZROKOPTFMTLV-IRLDBZIGSA-N 1 0 488.721 4.625 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC3CC3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001360638747 1065704617 /nfs/dbraw/zinc/70/46/17/1065704617.db2.gz IFZROKOPTFMTLV-RBBKRZOGSA-N 1 0 488.721 4.625 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccccc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001360638869 1065705282 /nfs/dbraw/zinc/70/52/82/1065705282.db2.gz KFCSSPQNTHQBJR-NRFANRHFSA-N 1 0 496.700 4.949 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)C(F)(F)c2ccccc2C)cc1 ZINC001438331932 1065710441 /nfs/dbraw/zinc/71/04/41/1065710441.db2.gz JYGXTELEXZABEC-UKILVPOCSA-N 1 0 450.529 4.880 20 0 JJADRO COc1ccc(C[C@H](C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001438335158 1065711198 /nfs/dbraw/zinc/71/11/98/1065711198.db2.gz OCGFPVOQBNLFRR-YNOBPPCASA-N 1 0 458.602 4.667 20 0 JJADRO COc1ccc(C[C@@H](C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001438335153 1065711256 /nfs/dbraw/zinc/71/12/56/1065711256.db2.gz OCGFPVOQBNLFRR-AOLGGSBGSA-N 1 0 458.602 4.667 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC001438334593 1065711631 /nfs/dbraw/zinc/71/16/31/1065711631.db2.gz MGDLYNSQUUSVFF-CJRSTVEYSA-N 1 0 476.539 4.527 20 0 JJADRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC001438338419 1065711982 /nfs/dbraw/zinc/71/19/82/1065711982.db2.gz WTHWDVKFLWTPOD-LPHOPBHVSA-N 1 0 452.396 4.804 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@]2(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001438345515 1065713505 /nfs/dbraw/zinc/71/35/05/1065713505.db2.gz ZPEVLLSGOQNCEP-IRYADYCUSA-N 1 0 478.633 4.537 20 0 JJADRO C[C@H](Cn1c(C2CCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360641779 1065714565 /nfs/dbraw/zinc/71/45/65/1065714565.db2.gz NDMWTCLFJAYUJT-DPLHUUCSSA-N 1 0 496.700 4.806 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC=C(Br)C1)c1ccccc1 ZINC001360644542 1065718775 /nfs/dbraw/zinc/71/87/75/1065718775.db2.gz AMXMEXRYSSYYCP-SFHVURJKSA-N 1 0 481.442 4.958 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 ZINC001360644753 1065719628 /nfs/dbraw/zinc/71/96/28/1065719628.db2.gz CETLELRTWCLWFN-IFMALSPDSA-N 1 0 469.674 4.695 20 0 JJADRO CC(C)N(C)C(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001360646222 1065721664 /nfs/dbraw/zinc/72/16/64/1065721664.db2.gz OIXSLGDHQKFICE-NRFANRHFSA-N 1 0 482.717 4.788 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)C(C)(C)C1)c1ccccc1 ZINC001360645950 1065721727 /nfs/dbraw/zinc/72/17/27/1065721727.db2.gz MNJQZOCTIPMYMH-SFTDATJTSA-N 1 0 466.674 4.516 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCCCc2ccc(I)cc2)[C@@H](C)C1 ZINC001360648524 1065724051 /nfs/dbraw/zinc/72/40/51/1065724051.db2.gz ROEDRTFJEZHBPA-FXAWDEMLSA-N 1 0 456.412 4.583 20 0 JJADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCCCc2ccc(I)cc2)[C@@H](C)C1 ZINC001360648525 1065724236 /nfs/dbraw/zinc/72/42/36/1065724236.db2.gz ROEDRTFJEZHBPA-PXNSSMCTSA-N 1 0 456.412 4.583 20 0 JJADRO CC[NH+](CC)CCOc1ccc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cc1 ZINC001360653433 1065725876 /nfs/dbraw/zinc/72/58/76/1065725876.db2.gz YKYCFFZOKYHFDA-UHFFFAOYSA-N 1 0 459.428 4.974 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)/C=C\c2ccsc2C(F)(F)F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001360658706 1065727797 /nfs/dbraw/zinc/72/77/97/1065727797.db2.gz OAQRNNLEMHBARL-VOCYLRNQSA-N 1 0 451.514 4.585 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)/C=C/c2ccsc2C(F)(F)F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001360658703 1065727945 /nfs/dbraw/zinc/72/79/45/1065727945.db2.gz OAQRNNLEMHBARL-HKMNZKMDSA-N 1 0 451.514 4.585 20 0 JJADRO CCc1cc2c(CC(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@H+](C)C4)cc3)csc2s1 ZINC001360658270 1065727983 /nfs/dbraw/zinc/72/79/83/1065727983.db2.gz JRMAZWUFZACEAQ-LJQANCHMSA-N 1 0 455.649 4.873 20 0 JJADRO CCc1nc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)nn1-c1c(Cl)cccc1Cl ZINC001438578101 1065733231 /nfs/dbraw/zinc/73/32/31/1065733231.db2.gz IZVVUGYIENMEKD-MRXNPFEDSA-N 1 0 450.414 4.663 20 0 JJADRO C[C@@H](CC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC001360677367 1065733439 /nfs/dbraw/zinc/73/34/39/1065733439.db2.gz DKZGAHCMIUZGBA-KRWDZBQOSA-N 1 0 458.528 4.749 20 0 JJADRO C/C(=C\C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccccc1Cl ZINC001360678539 1065733986 /nfs/dbraw/zinc/73/39/86/1065733986.db2.gz RNCOERRPAJMBMZ-DTQAZKPQSA-N 1 0 451.920 4.830 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Br)c3F)cc2F)CC1 ZINC001438748955 1065748951 /nfs/dbraw/zinc/74/89/51/1065748951.db2.gz PUCVGJABWHZVKH-UHFFFAOYSA-N 1 0 458.734 4.775 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3OC(F)(F)F)cc2F)CC1 ZINC001438747359 1065749000 /nfs/dbraw/zinc/74/90/00/1065749000.db2.gz NXVGETYZLUUKLT-ROUUACIJSA-N 1 0 451.464 4.608 20 0 JJADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC001438752050 1065749351 /nfs/dbraw/zinc/74/93/51/1065749351.db2.gz ZGQMEUNVTRTZDN-UHFFFAOYSA-N 1 0 455.603 4.575 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001360733582 1065762022 /nfs/dbraw/zinc/76/20/22/1065762022.db2.gz YMXDYUSSFRENQK-NRFANRHFSA-N 1 0 453.675 4.669 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)NC(=O)OCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001360735237 1065763265 /nfs/dbraw/zinc/76/32/65/1065763265.db2.gz PIGHPEOAMLKEOD-QPPBQGQZSA-N 1 0 451.611 4.593 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001360735925 1065764458 /nfs/dbraw/zinc/76/44/58/1065764458.db2.gz ZPWXLENXCVOINC-YKSBVNFPSA-N 1 0 451.611 4.836 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccc(Cl)s2)n1CC[NH+]1CCSCC1 ZINC001360736887 1065766394 /nfs/dbraw/zinc/76/63/94/1065766394.db2.gz JKRXJTMWTCVSGP-MRXNPFEDSA-N 1 0 496.077 4.957 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001439003750 1065776461 /nfs/dbraw/zinc/77/64/61/1065776461.db2.gz XMXYZTJXMKRXFD-QGZVFWFLSA-N 1 0 455.505 4.803 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCSC(F)(F)F ZINC001360743656 1065779825 /nfs/dbraw/zinc/77/98/25/1065779825.db2.gz HJKHAYRBADGEDS-FUHWJXTLSA-N 1 0 487.567 4.875 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC=C(Br)C2)n1CCC[NH+]1CCCC1 ZINC001360744799 1065783183 /nfs/dbraw/zinc/78/31/83/1065783183.db2.gz AUARSWBMNMVKDH-KRWDZBQOSA-N 1 0 478.410 4.532 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2COc3ccc(Br)cc32)CCCCC1 ZINC001439096809 1065784730 /nfs/dbraw/zinc/78/47/30/1065784730.db2.gz MDOLEEAKOKXPKI-OAQYLSRUSA-N 1 0 457.412 4.876 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@H]1CCCCO1 ZINC001360745748 1065786434 /nfs/dbraw/zinc/78/64/34/1065786434.db2.gz PAIOFKXOQDHUGU-RBBKRZOGSA-N 1 0 473.637 4.827 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001360746136 1065787441 /nfs/dbraw/zinc/78/74/41/1065787441.db2.gz UBQKBCIGPHDHRU-NZQKXSOJSA-N 1 0 473.637 4.827 20 0 JJADRO CCC(CC)(C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(OC)c(OC)c1 ZINC001439110801 1065788001 /nfs/dbraw/zinc/78/80/01/1065788001.db2.gz LXQWVZAWIHZYAT-KCWPFWIISA-N 1 0 450.623 4.742 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC001360748274 1065789876 /nfs/dbraw/zinc/78/98/76/1065789876.db2.gz UZJHNFZHXXEWJU-DEOSSOPVSA-N 1 0 458.602 4.810 20 0 JJADRO C[C@@H](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCCCC1 ZINC001360749483 1065792076 /nfs/dbraw/zinc/79/20/76/1065792076.db2.gz DWIJRSFXONFWHQ-PCCBWWKXSA-N 1 0 473.637 4.825 20 0 JJADRO CC(C)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCCC1 ZINC001360749897 1065793662 /nfs/dbraw/zinc/79/36/62/1065793662.db2.gz IYDUYLFHFZKMPH-JTAQYXEDSA-N 1 0 473.637 4.681 20 0 JJADRO CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CCS1 ZINC001360750879 1065796660 /nfs/dbraw/zinc/79/66/60/1065796660.db2.gz RCGDPJVGKIOUNL-VNZMSGEBSA-N 1 0 493.718 4.572 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360751174 1065797454 /nfs/dbraw/zinc/79/74/54/1065797454.db2.gz VXTJWKZHPOJXGM-QNLWLWTNSA-N 1 0 461.601 4.862 20 0 JJADRO O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001360751715 1065797903 /nfs/dbraw/zinc/79/79/03/1065797903.db2.gz HIPNRKNDGXDHFN-KRWDZBQOSA-N 1 0 451.398 4.843 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)cc1C(F)(F)F ZINC001439225499 1065801531 /nfs/dbraw/zinc/80/15/31/1065801531.db2.gz PGYLIBNLYBENJV-UHFFFAOYSA-N 1 0 457.880 4.626 20 0 JJADRO C[C@H](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCOC1)[NH+]1CCCCC1 ZINC001360754510 1065805903 /nfs/dbraw/zinc/80/59/03/1065805903.db2.gz VYCMWEVYDFCHGI-QHAWAJNXSA-N 1 0 476.065 4.809 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001360755222 1065808106 /nfs/dbraw/zinc/80/81/06/1065808106.db2.gz AUNNZYBPFFZRPZ-ACRUOGEOSA-N 1 0 476.065 4.665 20 0 JJADRO CC(C)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001360756065 1065813088 /nfs/dbraw/zinc/81/30/88/1065813088.db2.gz NYOULICIPZTMMF-FQEVSTJZSA-N 1 0 490.092 4.791 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(C)(C)O)CC1 ZINC001360757511 1065819482 /nfs/dbraw/zinc/81/94/82/1065819482.db2.gz CPQTZAYNQDTZSP-IBGZPJMESA-N 1 0 478.081 4.789 20 0 JJADRO COC(=O)c1cc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1SC ZINC001439397632 1065824148 /nfs/dbraw/zinc/82/41/48/1065824148.db2.gz FZUBOBWVFYHARK-OAQYLSRUSA-N 1 0 452.498 4.588 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1nccs1 ZINC001360758393 1065824769 /nfs/dbraw/zinc/82/47/69/1065824769.db2.gz RLFYCUZUNFHQQU-KRWDZBQOSA-N 1 0 475.062 4.887 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360758647 1065825690 /nfs/dbraw/zinc/82/56/90/1065825690.db2.gz ULCCRHQLLDZZAL-XQBPLPMBSA-N 1 0 476.065 4.807 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCCCCC2)n1CCCC[NH+]1CCOCC1 ZINC001360758974 1065827041 /nfs/dbraw/zinc/82/70/41/1065827041.db2.gz WRNSSORSUFSXIU-HXUWFJFHSA-N 1 0 462.038 4.564 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCOCC[NH+](C)C ZINC001360759064 1065827149 /nfs/dbraw/zinc/82/71/49/1065827149.db2.gz XOSUSHHCQQKWAE-RLWLMLJZSA-N 1 0 488.076 4.976 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCOC(F)F)CC1 ZINC001360759073 1065827913 /nfs/dbraw/zinc/82/79/13/1065827913.db2.gz XUEGCHOJWWSPLX-KRWDZBQOSA-N 1 0 471.980 4.621 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC[N@H+]1CC=CCC1 ZINC001360759193 1065828363 /nfs/dbraw/zinc/82/83/63/1065828363.db2.gz YWKBTFXQULIRLL-MSOLQXFVSA-N 1 0 465.976 4.815 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC(C)(C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001360759213 1065828769 /nfs/dbraw/zinc/82/87/69/1065828769.db2.gz YWYRHSIWHGAKFN-PZJWPPBQSA-N 1 0 476.065 4.545 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC(C)(C)O ZINC001360760630 1065833037 /nfs/dbraw/zinc/83/30/37/1065833037.db2.gz QAZKYNSZUHRQTQ-IBGZPJMESA-N 1 0 476.065 4.545 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC2(CCCCC2)C1)[NH+](C)C ZINC001360760614 1065833347 /nfs/dbraw/zinc/83/33/47/1065833347.db2.gz PQVCVFLRKPBSGP-MOPGFXCFSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360760855 1065834596 /nfs/dbraw/zinc/83/45/96/1065834596.db2.gz UKUUIZWFBSSMPV-KGVIQGDOSA-N 1 0 476.065 4.806 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[NH+]1CCCC1 ZINC001360760827 1065834937 /nfs/dbraw/zinc/83/49/37/1065834937.db2.gz UAIKMXBNMCJSGZ-RTBURBONSA-N 1 0 462.038 4.561 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCCC(F)(F)F ZINC001360760942 1065835488 /nfs/dbraw/zinc/83/54/88/1065835488.db2.gz VNXMXYVFKYEYMD-INIZCTEOSA-N 1 0 471.955 4.946 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)c2cccs2)n1CC1([NH+](C)C)CCOCC1 ZINC001360763028 1065842047 /nfs/dbraw/zinc/84/20/47/1065842047.db2.gz OSBVZSVFJLJXHP-RBUKOAKNSA-N 1 0 487.645 4.927 20 0 JJADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601971 1065847065 /nfs/dbraw/zinc/84/70/65/1065847065.db2.gz WHVBABQOCUBHMY-YADHBBJMSA-N 1 0 453.384 4.524 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2CC(F)(F)C2)n1CC1([NH+](C)C)CCCC1 ZINC001360765161 1065848273 /nfs/dbraw/zinc/84/82/73/1065848273.db2.gz LVTBENHJLYSUIG-QGZVFWFLSA-N 1 0 465.564 4.913 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360765292 1065849097 /nfs/dbraw/zinc/84/90/97/1065849097.db2.gz OQXWGVUFORYYAO-RCZSKKKRSA-N 1 0 487.645 4.927 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001360765330 1065849890 /nfs/dbraw/zinc/84/98/90/1065849890.db2.gz PJFCIXWIIWSWKE-RTWAWAEBSA-N 1 0 466.605 4.853 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[NH+]1CCCCC1 ZINC001360765352 1065849914 /nfs/dbraw/zinc/84/99/14/1065849914.db2.gz PSYYUQFGJSKYME-GOSISDBHSA-N 1 0 472.996 4.728 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[NH+]1CCCCCC1 ZINC001360767514 1065856725 /nfs/dbraw/zinc/85/67/25/1065856725.db2.gz QFCLZWZLZXMNDT-FQEVSTJZSA-N 1 0 473.637 4.827 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)C(F)(F)F)CC1 ZINC001360774189 1065873227 /nfs/dbraw/zinc/87/32/27/1065873227.db2.gz OJVAYNNTSKKZID-MRXNPFEDSA-N 1 0 457.516 4.676 20 0 JJADRO Cc1ccc(Br)nc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439817671 1065881256 /nfs/dbraw/zinc/88/12/56/1065881256.db2.gz FVFLHLQLUAFSHD-LEWJYISDSA-N 1 0 450.380 4.551 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001360777708 1065882515 /nfs/dbraw/zinc/88/25/15/1065882515.db2.gz DKFQRBAJNFIDJV-ZCNNSNEGSA-N 1 0 461.651 4.763 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(Nc2cnn(C)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360780051 1065888128 /nfs/dbraw/zinc/88/81/28/1065888128.db2.gz DSYUODGCCICKGH-DYESRHJHSA-N 1 0 455.582 4.545 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(Nc2cnn(C)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360780053 1065888263 /nfs/dbraw/zinc/88/82/63/1065888263.db2.gz DSYUODGCCICKGH-UTKZUKDTSA-N 1 0 455.582 4.545 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)C1 ZINC001360808720 1065922313 /nfs/dbraw/zinc/92/23/13/1065922313.db2.gz SFVYICZQJSXKRB-UHFFFAOYSA-N 1 0 492.437 4.607 20 0 JJADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360808912 1065922646 /nfs/dbraw/zinc/92/26/46/1065922646.db2.gz WQLJXUJIFUTLIV-XJGOYTCSSA-N 1 0 489.749 4.960 20 0 JJADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360808910 1065922702 /nfs/dbraw/zinc/92/27/02/1065922702.db2.gz WQLJXUJIFUTLIV-DQCZWYHMSA-N 1 0 489.749 4.960 20 0 JJADRO CC1(C)CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CCCC[NH+]1CCOCC1 ZINC001360811332 1065924200 /nfs/dbraw/zinc/92/42/00/1065924200.db2.gz OHAOIUZXOFYCQQ-UHFFFAOYSA-N 1 0 496.881 4.852 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1cc2c([nH]1)c(C)ccc2Br)[NH+]1CCCC1 ZINC001440389250 1065936866 /nfs/dbraw/zinc/93/68/66/1065936866.db2.gz NKDLZKMCAOMMIL-HXUWFJFHSA-N 1 0 456.384 4.814 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001440509928 1065945536 /nfs/dbraw/zinc/94/55/36/1065945536.db2.gz OEGZDLKCSOLPEH-XWGVYQGASA-N 1 0 455.643 4.583 20 0 JJADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001440539875 1065948497 /nfs/dbraw/zinc/94/84/97/1065948497.db2.gz QZERYSAAKRZODV-DNVCBOLYSA-N 1 0 451.792 4.823 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)c(C)c2)CC1 ZINC001440612251 1065954278 /nfs/dbraw/zinc/95/42/78/1065954278.db2.gz GUDRMIFJUNJFFR-QHCPKHFHSA-N 1 0 458.647 4.549 20 0 JJADRO Cc1sc(C)c(Cn2c(C(C)C)nnc2N2CC[NH+](C3CCC3)CC2)c1Br ZINC001360848629 1065956903 /nfs/dbraw/zinc/95/69/03/1065956903.db2.gz ADRIWEHCEAQBAK-UHFFFAOYSA-N 1 0 452.466 4.565 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001360850417 1065960598 /nfs/dbraw/zinc/96/05/98/1065960598.db2.gz CTKNRMCXPGYCNL-ZWKOTPCHSA-N 1 0 492.437 4.921 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001360850415 1065960623 /nfs/dbraw/zinc/96/06/23/1065960623.db2.gz CTKNRMCXPGYCNL-QZTJIDSGSA-N 1 0 492.437 4.921 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccc(Br)cc2)o1)Cc1ccccc1 ZINC001440665642 1065960990 /nfs/dbraw/zinc/96/09/90/1065960990.db2.gz IKQZVHPKJMFYJQ-LJQANCHMSA-N 1 0 457.368 4.524 20 0 JJADRO Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001440673957 1065961936 /nfs/dbraw/zinc/96/19/36/1065961936.db2.gz GVSRFARAZBNOAF-KRWDZBQOSA-N 1 0 455.546 4.532 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)c1cccc(F)c1 ZINC001440674921 1065962410 /nfs/dbraw/zinc/96/24/10/1065962410.db2.gz LOMUKORJMNWZNK-LJQANCHMSA-N 1 0 451.489 4.925 20 0 JJADRO CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c21 ZINC001440677214 1065963871 /nfs/dbraw/zinc/96/38/71/1065963871.db2.gz CULQLXUYWMQXCA-UHFFFAOYSA-N 1 0 455.002 4.836 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3cccn3C)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001360851703 1065965382 /nfs/dbraw/zinc/96/53/82/1065965382.db2.gz PSAZFLWBQFWVGZ-UHFFFAOYSA-N 1 0 463.468 4.672 20 0 JJADRO CC(C)C[C@@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)NC(=O)OC(C)(C)C ZINC001440682932 1065965751 /nfs/dbraw/zinc/96/57/51/1065965751.db2.gz WSTVOEXTVVKYSQ-NRFANRHFSA-N 1 0 452.039 4.750 20 0 JJADRO Cc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001360853149 1065968371 /nfs/dbraw/zinc/96/83/71/1065968371.db2.gz FKHMJQKVLMUHDH-IBGZPJMESA-N 1 0 473.463 4.648 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001360853269 1065968829 /nfs/dbraw/zinc/96/88/29/1065968829.db2.gz ILEDSRUESMJFFY-OAQYLSRUSA-N 1 0 480.495 4.911 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001440709995 1065969499 /nfs/dbraw/zinc/96/94/99/1065969499.db2.gz ZZKLCKIHRHFLJD-HXUWFJFHSA-N 1 0 457.405 4.729 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001360853720 1065970660 /nfs/dbraw/zinc/97/06/60/1065970660.db2.gz IQZMGGHYTSTIMU-LJQANCHMSA-N 1 0 493.519 4.633 20 0 JJADRO O=C(CCc1cc2ccccc2[nH]c1=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440722713 1065971005 /nfs/dbraw/zinc/97/10/05/1065971005.db2.gz NNHYKJMGUYEWGN-UHFFFAOYSA-N 1 0 457.496 4.626 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3ccsc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360853843 1065971272 /nfs/dbraw/zinc/97/12/72/1065971272.db2.gz LCLKWCHSSHDZJV-LJQANCHMSA-N 1 0 478.504 4.930 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001360853913 1065971692 /nfs/dbraw/zinc/97/16/92/1065971692.db2.gz QCPBIZJXCVSSLG-LYHRCORUSA-N 1 0 480.495 4.562 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001360853912 1065971825 /nfs/dbraw/zinc/97/18/25/1065971825.db2.gz QCPBIZJXCVSSLG-GWJPWWOOSA-N 1 0 480.495 4.562 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)Cc1ccccc1 ZINC001440739737 1065973821 /nfs/dbraw/zinc/97/38/21/1065973821.db2.gz QLFODIXXRINTQO-OAQYLSRUSA-N 1 0 450.604 4.869 20 0 JJADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(Cc2ccccc2)CCC1 ZINC001440744150 1065974957 /nfs/dbraw/zinc/97/49/57/1065974957.db2.gz DJKUXNCHLKSTHB-UHFFFAOYSA-N 1 0 459.556 4.747 20 0 JJADRO Cc1ccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001360857570 1065975439 /nfs/dbraw/zinc/97/54/39/1065975439.db2.gz DZNLCLDBVQELCM-UHFFFAOYSA-N 1 0 488.474 4.921 20 0 JJADRO O=C(CCc1ccc(Cl)s1)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440748730 1065975539 /nfs/dbraw/zinc/97/55/39/1065975539.db2.gz SCNZHDXWAWJYRN-UHFFFAOYSA-N 1 0 459.965 4.681 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1C ZINC001360862283 1065980375 /nfs/dbraw/zinc/98/03/75/1065980375.db2.gz LNVIGPUOEHPNGC-MMTVBGGISA-N 1 0 489.668 4.542 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC001360862208 1065980417 /nfs/dbraw/zinc/98/04/17/1065980417.db2.gz IPXSGLKBJMIPLZ-UHFFFAOYSA-N 1 0 489.668 4.579 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)c1C ZINC001360862347 1065980719 /nfs/dbraw/zinc/98/07/19/1065980719.db2.gz NPTDOGGOJCVLIG-QFIPXVFZSA-N 1 0 464.614 4.523 20 0 JJADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C[C@H](C)O1 ZINC001440826757 1065981771 /nfs/dbraw/zinc/98/17/71/1065981771.db2.gz NNXACICWTYIYSC-JKSBSHDWSA-N 1 0 451.007 4.928 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)c1C ZINC001360864988 1065983754 /nfs/dbraw/zinc/98/37/54/1065983754.db2.gz NSWUONISWOMVRB-HSZRJFAPSA-N 1 0 492.668 4.989 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1C ZINC001360865383 1065984334 /nfs/dbraw/zinc/98/43/34/1065984334.db2.gz ANEVLCGKQRKMGL-GMAHTHKFSA-N 1 0 498.716 4.506 20 0 JJADRO Cc1noc(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360865748 1065985598 /nfs/dbraw/zinc/98/55/98/1065985598.db2.gz IAEYOKFJSXOYQK-LVXARBLLSA-N 1 0 498.697 4.713 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360865820 1065985750 /nfs/dbraw/zinc/98/57/50/1065985750.db2.gz JAFBEOWIKRJODG-WMZHIEFXSA-N 1 0 479.673 4.506 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1)c1cccc(OC)c1 ZINC001440876360 1065987501 /nfs/dbraw/zinc/98/75/01/1065987501.db2.gz JVNRLIIVVSOHHS-CQOQZXRMSA-N 1 0 459.428 4.935 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(C)(C)C)n2C[C@]2([NH+](C)C)CCSC2)c1C ZINC001360866157 1065987587 /nfs/dbraw/zinc/98/75/87/1065987587.db2.gz NMRFOWRDXXTGFV-CJFMBICVSA-N 1 0 459.704 4.955 20 0 JJADRO CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001440883869 1065989228 /nfs/dbraw/zinc/98/92/28/1065989228.db2.gz USYIVYVCBHOJDW-JOCHJYFZSA-N 1 0 455.986 4.740 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)C1(Cc2ccccc2Br)CC1)c1cccc(OC)c1 ZINC001440884613 1065989669 /nfs/dbraw/zinc/98/96/69/1065989669.db2.gz XVNKFAVQGBBPQW-JOCHJYFZSA-N 1 0 459.428 4.980 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC3CCOCC3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360868633 1065992738 /nfs/dbraw/zinc/99/27/38/1065992738.db2.gz JGIIIPAOAJOXAZ-GGAORHGYSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccco3)n2C[C@H](C)C[NH+]2CCCC2)c1C ZINC001360868623 1065992787 /nfs/dbraw/zinc/99/27/87/1065992787.db2.gz JBQHJXIPOMJION-KNQAVFIVSA-N 1 0 451.615 4.996 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2CC[N@H+](C)C2CCCCC2)c1C ZINC001360868769 1065993877 /nfs/dbraw/zinc/99/38/77/1065993877.db2.gz JTDGCWJRAFPSEA-OAQYLSRUSA-N 1 0 466.630 4.924 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCOC3)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360868829 1065994317 /nfs/dbraw/zinc/99/43/17/1065994317.db2.gz KLPDHZVOTZDAJG-PKTZIBPZSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1C ZINC001360868998 1065995388 /nfs/dbraw/zinc/99/53/88/1065995388.db2.gz LSHMJAGTOGQINK-GMKZXUHWSA-N 1 0 469.674 4.628 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001360869265 1065997214 /nfs/dbraw/zinc/99/72/14/1065997214.db2.gz NMLKJZVSJDXSHQ-FCHUYYIVSA-N 1 0 466.630 4.780 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1ccsc1 ZINC001441009977 1065999944 /nfs/dbraw/zinc/99/99/44/1065999944.db2.gz WBIISEKZJMARKR-DENIHFKCSA-N 1 0 457.640 4.725 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1C ZINC001360869909 1066000116 /nfs/dbraw/zinc/00/01/16/1066000116.db2.gz RZFIZEQVYIRRCL-RCZVLFRGSA-N 1 0 491.684 4.972 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCOCCC(C)C)c1C ZINC001360870020 1066000824 /nfs/dbraw/zinc/00/08/24/1066000824.db2.gz LYAKDBBABPHZQQ-GMKZXUHWSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCC[NH+]2CCC(O)CC2)c1C ZINC001360870389 1066002072 /nfs/dbraw/zinc/00/20/72/1066002072.db2.gz OUEPTSNFQOLUIT-GOTSBHOMSA-N 1 0 483.701 4.754 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)CC1 ZINC001441063987 1066005237 /nfs/dbraw/zinc/00/52/37/1066005237.db2.gz XEIMQDAPEVBVEL-QHCPKHFHSA-N 1 0 455.643 4.572 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1C ZINC001360873561 1066009334 /nfs/dbraw/zinc/00/93/34/1066009334.db2.gz FPDCOGNSNPHOEP-DNQXCXABSA-N 1 0 469.674 4.652 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)c1C ZINC001360873815 1066010833 /nfs/dbraw/zinc/01/08/33/1066010833.db2.gz IGBPNTOKUXIXTR-QTJGBDASSA-N 1 0 469.674 4.628 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC001360874416 1066013525 /nfs/dbraw/zinc/01/35/25/1066013525.db2.gz MSCFSPQVMUCJFW-QPPBQGQZSA-N 1 0 483.701 4.897 20 0 JJADRO O=C(/C=C/c1ccccc1OCc1ccccc1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001441199972 1066015047 /nfs/dbraw/zinc/01/50/47/1066015047.db2.gz LYEJSRCEDAEZBD-WUKNDPDISA-N 1 0 455.602 4.607 20 0 JJADRO COc1ccccc1/C=C(/C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC001441213450 1066015731 /nfs/dbraw/zinc/01/57/31/1066015731.db2.gz ZMMUCNHUJRIXDM-SLEBQGDGSA-N 1 0 455.602 4.564 20 0 JJADRO COc1ccccc1/C=C(\C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC001441213453 1066015760 /nfs/dbraw/zinc/01/57/60/1066015760.db2.gz ZMMUCNHUJRIXDM-VYIQYICTSA-N 1 0 455.602 4.564 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCCC1 ZINC001441220166 1066016420 /nfs/dbraw/zinc/01/64/20/1066016420.db2.gz BMEVUYKMWUPFQS-RPWUZVMVSA-N 1 0 457.659 4.879 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@](C)(O)c2ccco2)c1C ZINC001360875440 1066017935 /nfs/dbraw/zinc/01/79/35/1066017935.db2.gz ZVOBLGFLYLNISC-KDYSTLNUSA-N 1 0 481.641 4.502 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCCOC(C)C)c1C ZINC001360876842 1066021656 /nfs/dbraw/zinc/02/16/56/1066021656.db2.gz BWYADIHDZACORL-QHCPKHFHSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)n2CC(C)C)c1C ZINC001360877095 1066021866 /nfs/dbraw/zinc/02/18/66/1066021866.db2.gz HUNOFMZZMGTSKM-SONWIMMPSA-N 1 0 482.717 4.686 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC(C)C)c1C ZINC001360877094 1066021940 /nfs/dbraw/zinc/02/19/40/1066021940.db2.gz HUNOFMZZMGTSKM-GIFXNVAJSA-N 1 0 482.717 4.686 20 0 JJADRO Cc1ccc(C)c(OCCC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001441307560 1066024162 /nfs/dbraw/zinc/02/41/62/1066024162.db2.gz FXUVGMBRHLBTGP-UHFFFAOYSA-N 1 0 457.618 4.711 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cn(-c4ccc(C)cc4)nc3C(C)(C)C)cc2)CC1 ZINC001441312083 1066024925 /nfs/dbraw/zinc/02/49/25/1066024925.db2.gz PSVOAMJQMLAHEJ-UHFFFAOYSA-N 1 0 459.638 4.868 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1C ZINC001360878062 1066024993 /nfs/dbraw/zinc/02/49/93/1066024993.db2.gz QVJBKBYNKKFUQU-GIFXNVAJSA-N 1 0 469.674 4.626 20 0 JJADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)CCCc3ccccc3Br)cc2)C[C@H](C)O1 ZINC001441317414 1066026802 /nfs/dbraw/zinc/02/68/02/1066026802.db2.gz GHNGGNSLOHUPMJ-OALUTQOASA-N 1 0 459.428 4.697 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cc(OCc4ccccc4)cs3)cc2)C[C@H](C)O1 ZINC001441317348 1066026862 /nfs/dbraw/zinc/02/68/62/1066026862.db2.gz GCTXAYQUDAFWBV-BGYRXZFFSA-N 1 0 450.604 4.866 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@@H]3C)n2CC2([NH+](C)C)CCCC2)c1C ZINC001360878811 1066027285 /nfs/dbraw/zinc/02/72/85/1066027285.db2.gz AQOVLSIEVYZOIC-PZJWPPBQSA-N 1 0 457.688 4.851 20 0 JJADRO CC(C)C[C@@H](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC001441336348 1066029988 /nfs/dbraw/zinc/02/99/88/1066029988.db2.gz BTZHCUVEFRMKJA-LEWJYISDSA-N 1 0 452.039 4.923 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@]4(CCOC4)C3)n2CCC[NH+](C(C)C)C(C)C)c1C ZINC001360879432 1066030257 /nfs/dbraw/zinc/03/02/57/1066030257.db2.gz KZXLUFWNRRGJJM-RBJSKKJNSA-N 1 0 499.700 4.540 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@]4(CCOC4)C3)n2CCC[NH+](C(C)C)C(C)C)c1C ZINC001360879433 1066030380 /nfs/dbraw/zinc/03/03/80/1066030380.db2.gz KZXLUFWNRRGJJM-UFHPHHKVSA-N 1 0 499.700 4.540 20 0 JJADRO CC[C@@]1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441343493 1066030906 /nfs/dbraw/zinc/03/09/06/1066030906.db2.gz RAEUWVMKMUHOLN-GBXCKJPGSA-N 1 0 450.023 4.630 20 0 JJADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1 ZINC001441352384 1066032207 /nfs/dbraw/zinc/03/22/07/1066032207.db2.gz MJTZIFBTQDNWBU-INIZCTEOSA-N 1 0 453.384 4.521 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001441353735 1066032581 /nfs/dbraw/zinc/03/25/81/1066032581.db2.gz JEXWMPNTZPWOBC-REWPJTCUSA-N 1 0 455.643 4.714 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(Nc3ccn(C)n3)n2CC2([NH+](C)C)CCCCC2)c1C ZINC001360882028 1066035280 /nfs/dbraw/zinc/03/52/80/1066035280.db2.gz VHJCMYIZUYSXMN-HXUWFJFHSA-N 1 0 451.619 4.777 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(Nc3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)c1C ZINC001360882041 1066035324 /nfs/dbraw/zinc/03/53/24/1066035324.db2.gz VNLDMXVGOFIDIL-RXVVDRJESA-N 1 0 451.619 4.634 20 0 JJADRO O=C(NCCc1ccc(N2CCCCC2)cc1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001441371353 1066036002 /nfs/dbraw/zinc/03/60/02/1066036002.db2.gz NBJNGVLPLFLPGI-VWLOTQADSA-N 1 0 459.556 4.790 20 0 JJADRO CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360883644 1066037549 /nfs/dbraw/zinc/03/75/49/1066037549.db2.gz VZAWNEKRKKRKGK-UHFFFAOYSA-N 1 0 461.452 4.847 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C)=C(C)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1Br ZINC001360884853 1066039249 /nfs/dbraw/zinc/03/92/49/1066039249.db2.gz JGAUPOWGOZLCDG-NRFANRHFSA-N 1 0 458.448 4.903 20 0 JJADRO CC1=C(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001360888511 1066041443 /nfs/dbraw/zinc/04/14/43/1066041443.db2.gz YIQWIDXILPRUEN-YADHBBJMSA-N 1 0 498.672 4.835 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001441444888 1066041838 /nfs/dbraw/zinc/04/18/38/1066041838.db2.gz KOVDVSUSWWFHQF-HXUWFJFHSA-N 1 0 453.583 4.885 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2c3ccccc3nc2C(F)(F)F)C1 ZINC001441451010 1066041991 /nfs/dbraw/zinc/04/19/91/1066041991.db2.gz SQURXDXDILRIAD-ROUUACIJSA-N 1 0 458.528 4.849 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)cc2)C1 ZINC001441461498 1066043230 /nfs/dbraw/zinc/04/32/30/1066043230.db2.gz JFPXDNHHTRBADO-OALUTQOASA-N 1 0 455.599 4.712 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)C1 ZINC001441467941 1066043584 /nfs/dbraw/zinc/04/35/84/1066043584.db2.gz UCNVYOWWCGVTRB-TXTKFYIRSA-N 1 0 457.659 4.816 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CSc3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001441463865 1066043704 /nfs/dbraw/zinc/04/37/04/1066043704.db2.gz NICOWUVWDGFLHD-CALCHBBNSA-N 1 0 451.558 4.987 20 0 JJADRO COc1ccc(C2(C(=O)NCc3ccc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCC2)cc1OC ZINC001441475649 1066044798 /nfs/dbraw/zinc/04/47/98/1066044798.db2.gz ANKSZLMVDVZFDR-OYRHEFFESA-N 1 0 450.623 4.920 20 0 JJADRO CC1=C(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001360892985 1066045147 /nfs/dbraw/zinc/04/51/47/1066045147.db2.gz UCJIDOFLJWIVDV-KNQAVFIVSA-N 1 0 472.678 4.629 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001441512788 1066047583 /nfs/dbraw/zinc/04/75/83/1066047583.db2.gz POLBZPHFVNAMKZ-TVZXLZGTSA-N 1 0 452.639 4.809 20 0 JJADRO Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2)cc1 ZINC001441525850 1066048457 /nfs/dbraw/zinc/04/84/57/1066048457.db2.gz UBLGCRKMSZHCBQ-ISKFKSNPSA-N 1 0 451.611 4.529 20 0 JJADRO Cc1nc([C@@H]2CCCN(c3nnc([C@H]4CCCCO4)n3CC(C)(C)C[NH+](C)C)C2)sc1C ZINC001360896145 1066049635 /nfs/dbraw/zinc/04/96/35/1066049635.db2.gz VHVGPQGAUWNGOO-WOJBJXKFSA-N 1 0 460.692 4.565 20 0 JJADRO Cc1nc([C@@H]2CCCN(c3nnc([C@@H]4CCCCO4)n3CC(C)(C)C[NH+](C)C)C2)sc1C ZINC001360896143 1066049672 /nfs/dbraw/zinc/04/96/72/1066049672.db2.gz VHVGPQGAUWNGOO-UXHICEINSA-N 1 0 460.692 4.565 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1 ZINC001441561662 1066051209 /nfs/dbraw/zinc/05/12/09/1066051209.db2.gz OJFUUUMZAAENAZ-MSPRMREJSA-N 1 0 454.574 4.866 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001545942853 1066051952 /nfs/dbraw/zinc/05/19/52/1066051952.db2.gz JMEDTMKKMMLKKB-CGHRXAFASA-N 1 0 466.674 4.577 20 0 JJADRO Cc1nc(CCn2c(CC(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)sc1C ZINC001360900057 1066053400 /nfs/dbraw/zinc/05/34/00/1066053400.db2.gz XCEZDLRIVJZPRB-UHFFFAOYSA-N 1 0 458.720 4.885 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001545943195 1066054111 /nfs/dbraw/zinc/05/41/11/1066054111.db2.gz WLASEFWXIBOYGA-DNVJHFABSA-N 1 0 498.672 4.503 20 0 JJADRO COc1cccc(-c2noc(SCC(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)n2)c1 ZINC001441614262 1066054135 /nfs/dbraw/zinc/05/41/35/1066054135.db2.gz UJXOQLCOUIQTOS-UHFFFAOYSA-N 1 0 452.580 4.708 20 0 JJADRO Cc1nc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)sc1C ZINC001360901156 1066054671 /nfs/dbraw/zinc/05/46/71/1066054671.db2.gz HDIFGYOOOUKHTI-UHFFFAOYSA-N 1 0 490.624 4.979 20 0 JJADRO O=C(Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1ccc(C[NH+]2CCCC2)o1 ZINC001441624851 1066055483 /nfs/dbraw/zinc/05/54/83/1066055483.db2.gz QBIDEHHQDIGALS-UHFFFAOYSA-N 1 0 455.917 4.850 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001441623194 1066055519 /nfs/dbraw/zinc/05/55/19/1066055519.db2.gz NYDSSCYHEPORCN-XMMPIXPASA-N 1 0 451.611 4.679 20 0 JJADRO Cc1sc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1-c1ccc(F)cc1 ZINC001441656409 1066057911 /nfs/dbraw/zinc/05/79/11/1066057911.db2.gz FLCYIPPDSIOKTK-UHFFFAOYSA-N 1 0 451.567 4.812 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C ZINC001441658093 1066058648 /nfs/dbraw/zinc/05/86/48/1066058648.db2.gz LVJDFGWIEZGILA-UHFFFAOYSA-N 1 0 455.599 4.993 20 0 JJADRO CC[C@@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC001441708594 1066063272 /nfs/dbraw/zinc/06/32/72/1066063272.db2.gz FTWWHAWVZPYVNZ-HSZRJFAPSA-N 1 0 458.444 4.661 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001360908291 1066063603 /nfs/dbraw/zinc/06/36/03/1066063603.db2.gz CCXIZFCDBJAAHW-GOSISDBHSA-N 1 0 454.368 4.698 20 0 JJADRO CC[NH+](CC)CCSCC(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 ZINC001441734415 1066065224 /nfs/dbraw/zinc/06/52/24/1066065224.db2.gz ISTCHPABTBKYOW-UHFFFAOYSA-N 1 0 456.475 4.818 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@@H+](C)C(C)C ZINC001360910402 1066066286 /nfs/dbraw/zinc/06/62/86/1066066286.db2.gz FPYCXBCDXOCZOO-KDURUIRLSA-N 1 0 468.671 4.721 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC[N@@H+](C)C(C)C ZINC001360910403 1066066316 /nfs/dbraw/zinc/06/63/16/1066066316.db2.gz FPYCXBCDXOCZOO-OALUTQOASA-N 1 0 468.671 4.721 20 0 JJADRO COc1cc([C@H](C)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1OCc1ccccc1 ZINC001441864967 1066075874 /nfs/dbraw/zinc/07/58/74/1066075874.db2.gz LYWYOPFRDYKQJC-WMZHIEFXSA-N 1 0 454.636 4.669 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)Cc1ccc(OCc2ccccn2)cc1)[NH+]1CCCCC1 ZINC001441887107 1066078192 /nfs/dbraw/zinc/07/81/92/1066078192.db2.gz QNONJPPNQJHBSG-AREMUKBSSA-N 1 0 459.590 4.555 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001360929316 1066084729 /nfs/dbraw/zinc/08/47/29/1066084729.db2.gz BLVBHCLDSJMTFU-FPOVZHCZSA-N 1 0 485.604 4.596 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001360929453 1066085154 /nfs/dbraw/zinc/08/51/54/1066085154.db2.gz FXRGAHGEYQAYLN-MRXNPFEDSA-N 1 0 489.487 4.841 20 0 JJADRO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)nnn1-c1ccc(F)c(Cl)c1 ZINC001442067797 1066089254 /nfs/dbraw/zinc/08/92/54/1066089254.db2.gz DCTQUXDHQJDPAR-JOCHJYFZSA-N 1 0 455.965 4.571 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1([NH+](C)C)CCC1 ZINC001360932470 1066090100 /nfs/dbraw/zinc/09/01/00/1066090100.db2.gz NMFDUXNVAUCWPX-UHFFFAOYSA-N 1 0 476.394 4.869 20 0 JJADRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)([NH+](C)C)C1 ZINC001442076877 1066090220 /nfs/dbraw/zinc/09/02/20/1066090220.db2.gz BGJIPGIFKMKVAP-YCRPNKLZSA-N 1 0 456.940 4.844 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)C2=Cc3cc(Br)ccc3OC2)c2ccccc2)CC1 ZINC001442079916 1066090704 /nfs/dbraw/zinc/09/07/04/1066090704.db2.gz VROMHRIKTAOFND-JOCHJYFZSA-N 1 0 455.396 4.814 20 0 JJADRO CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001442078445 1066090720 /nfs/dbraw/zinc/09/07/20/1066090720.db2.gz SLMINMKPTMVHFO-CVDCTZTESA-N 1 0 452.599 4.655 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001442082217 1066091256 /nfs/dbraw/zinc/09/12/56/1066091256.db2.gz XZNNNVASIJAVBR-WNCULLNHSA-N 1 0 455.643 4.714 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001442110176 1066094670 /nfs/dbraw/zinc/09/46/70/1066094670.db2.gz AHSOSORZLFKGIU-BJKOFHAPSA-N 1 0 457.659 4.879 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccccc2Br)n1CC[NH+]1CCCCCC1 ZINC001360935356 1066095070 /nfs/dbraw/zinc/09/50/70/1066095070.db2.gz HJYXAGZDPKSYQE-UHFFFAOYSA-N 1 0 489.487 4.985 20 0 JJADRO Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001442111103 1066095303 /nfs/dbraw/zinc/09/53/03/1066095303.db2.gz LFIIIRZGVZQRNX-DEOSSOPVSA-N 1 0 451.611 4.589 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001360944921 1066099710 /nfs/dbraw/zinc/09/97/10/1066099710.db2.gz NZSHFINQQSSHED-ROUUACIJSA-N 1 0 487.595 4.573 20 0 JJADRO Cc1occc1CN(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001360944972 1066100189 /nfs/dbraw/zinc/10/01/89/1066100189.db2.gz PTBQYWJLJJXBKM-FQEVSTJZSA-N 1 0 458.610 4.931 20 0 JJADRO Cc1sc(CNC(=O)CCc2ccc(OCC[NH+](C)C)cc2)nc1-c1ccc(Cl)cc1 ZINC001442218268 1066103143 /nfs/dbraw/zinc/10/31/43/1066103143.db2.gz CRSCPJQITJRCEV-UHFFFAOYSA-N 1 0 458.027 4.961 20 0 JJADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001442227070 1066104331 /nfs/dbraw/zinc/10/43/31/1066104331.db2.gz SSKCLXBQXGOTAP-BWKNWUBXSA-N 1 0 452.639 4.952 20 0 JJADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001442227072 1066104383 /nfs/dbraw/zinc/10/43/83/1066104383.db2.gz SSKCLXBQXGOTAP-OFVILXPXSA-N 1 0 452.639 4.952 20 0 JJADRO Cc1occc1CN(C)c1nnc(COc2ccc(F)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001360949480 1066104882 /nfs/dbraw/zinc/10/48/82/1066104882.db2.gz IBYYEQHRDKPAKR-UHFFFAOYSA-N 1 0 455.578 4.799 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)CN(C)c3nc4ccccc4s3)cc2Cl)CC1 ZINC001442250364 1066108431 /nfs/dbraw/zinc/10/84/31/1066108431.db2.gz SVYMXDVWHPZZKU-UHFFFAOYSA-N 1 0 458.031 4.557 20 0 JJADRO CCOc1ncc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1Cl ZINC001360951907 1066108456 /nfs/dbraw/zinc/10/84/56/1066108456.db2.gz MTYOXGLXNJSHJM-QGZVFWFLSA-N 1 0 455.908 4.660 20 0 JJADRO C[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442264372 1066110174 /nfs/dbraw/zinc/11/01/74/1066110174.db2.gz MOPHDNDEEOBCCE-UWXQAFAOSA-N 1 0 451.611 4.840 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001442304306 1066114562 /nfs/dbraw/zinc/11/45/62/1066114562.db2.gz HVILOVCMXPJBRJ-RCCFBDPRSA-N 1 0 454.455 4.952 20 0 JJADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442331408 1066116969 /nfs/dbraw/zinc/11/69/69/1066116969.db2.gz RSMWDGMYUYIUGT-UXHICEINSA-N 1 0 451.014 4.972 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)Cc1cc(C(C)=O)ccc1OC)c1ccc(C(F)(F)F)cc1 ZINC001442330480 1066116986 /nfs/dbraw/zinc/11/69/86/1066116986.db2.gz TXMYQQJRHWGSEN-OAQYLSRUSA-N 1 0 450.501 4.658 20 0 JJADRO C[N@H+](CCNC(=O)c1cccnc1Oc1ccc(F)cc1Br)C1CCCCC1 ZINC001442336436 1066117578 /nfs/dbraw/zinc/11/75/78/1066117578.db2.gz KEPWPGDSLAXAPV-UHFFFAOYSA-N 1 0 450.352 4.770 20 0 JJADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001442374698 1066121341 /nfs/dbraw/zinc/12/13/41/1066121341.db2.gz FNZZXANGHFHIQV-UHFFFAOYSA-N 1 0 459.562 4.623 20 0 JJADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545948648 1066121374 /nfs/dbraw/zinc/12/13/74/1066121374.db2.gz VJSIDCJQZNZKFE-HSZRJFAPSA-N 1 0 496.700 4.806 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC001360962164 1066121687 /nfs/dbraw/zinc/12/16/87/1066121687.db2.gz YVZRJVRDYJWCPF-LAUBAEHRSA-N 1 0 450.549 4.536 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC001360962165 1066121764 /nfs/dbraw/zinc/12/17/64/1066121764.db2.gz YVZRJVRDYJWCPF-UTKZUKDTSA-N 1 0 450.549 4.536 20 0 JJADRO O=C(N[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1)c1ccccc1 ZINC001442392685 1066123066 /nfs/dbraw/zinc/12/30/66/1066123066.db2.gz MGJXRQPQCMXNDF-HHHXNRCGSA-N 1 0 455.602 4.850 20 0 JJADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001442394577 1066123688 /nfs/dbraw/zinc/12/36/88/1066123688.db2.gz PVOYWYKKHJWEMZ-UHFFFAOYSA-N 1 0 457.500 4.592 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(C=O)c1)[NH+](C)C ZINC001442464356 1066127955 /nfs/dbraw/zinc/12/79/55/1066127955.db2.gz KZWDCZKRQXHPHA-QFIPXVFZSA-N 1 0 451.394 4.800 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC(=O)c1ccccn1)[NH+](C)C ZINC001442474674 1066129741 /nfs/dbraw/zinc/12/97/41/1066129741.db2.gz ZIBNXGCLICNMEY-NRFANRHFSA-N 1 0 450.410 4.966 20 0 JJADRO Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)[NH+](C)C)cc1 ZINC001442478156 1066130871 /nfs/dbraw/zinc/13/08/71/1066130871.db2.gz UNHDSUTYKOSUIL-NGYIFUPDSA-N 1 0 459.993 4.505 20 0 JJADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC001442518796 1066131960 /nfs/dbraw/zinc/13/19/60/1066131960.db2.gz DPQFPUMJAQLCKP-LJQANCHMSA-N 1 0 454.640 4.659 20 0 JJADRO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC001442573814 1066140206 /nfs/dbraw/zinc/14/02/06/1066140206.db2.gz TYGAYRLYHKZSJN-HSZRJFAPSA-N 1 0 450.627 4.763 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2cc(Br)ccc2OC(F)F)[NH+]2CCCC2)cc1 ZINC001442594353 1066142262 /nfs/dbraw/zinc/14/22/62/1066142262.db2.gz PXAMBPWPQDKSLK-SFHVURJKSA-N 1 0 453.327 4.926 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[NH+]2CCCC2)cc1 ZINC001442596353 1066142899 /nfs/dbraw/zinc/14/28/99/1066142899.db2.gz WCISGDZLIUBFOA-XMMPIXPASA-N 1 0 451.611 4.629 20 0 JJADRO COc1ccc(Br)c2[nH]c(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)cc21 ZINC001442596282 1066142905 /nfs/dbraw/zinc/14/29/05/1066142905.db2.gz VLICBWNGLGJUML-HXUWFJFHSA-N 1 0 456.384 4.814 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545950378 1066143268 /nfs/dbraw/zinc/14/32/68/1066143268.db2.gz PKANYMWFQJRUIR-MDNUFGMLSA-N 1 0 484.689 4.806 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360985485 1066147117 /nfs/dbraw/zinc/14/71/17/1066147117.db2.gz BVNXKLVZWMKKJR-FGZHOGPDSA-N 1 0 496.681 4.576 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001360985437 1066147256 /nfs/dbraw/zinc/14/72/56/1066147256.db2.gz APYUTQAAJQXKGX-HXUWFJFHSA-N 1 0 482.698 4.923 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc[nH]2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001360985537 1066147890 /nfs/dbraw/zinc/14/78/90/1066147890.db2.gz DMKHUFWFSRQQQJ-SFTDATJTSA-N 1 0 491.684 4.723 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001360985875 1066149025 /nfs/dbraw/zinc/14/90/25/1066149025.db2.gz NOTATDLVPIOWFZ-OAQYLSRUSA-N 1 0 452.647 4.502 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@@H+](C)C(C)C ZINC001360986493 1066152655 /nfs/dbraw/zinc/15/26/55/1066152655.db2.gz FFUABAKDYFWYBP-RCZVLFRGSA-N 1 0 498.716 4.619 20 0 JJADRO C[C@H]1CCCC[C@@H]1CNC(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001442755273 1066157029 /nfs/dbraw/zinc/15/70/29/1066157029.db2.gz ZCMJZJOAOOZYHA-JTHBVZDNSA-N 1 0 457.659 4.879 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001360989230 1066159811 /nfs/dbraw/zinc/15/98/11/1066159811.db2.gz BCZPZJMQILIAIL-WOJBJXKFSA-N 1 0 476.065 4.524 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001360989377 1066160467 /nfs/dbraw/zinc/16/04/67/1066160467.db2.gz DGZUHKIWUHCTLG-APWZRJJASA-N 1 0 464.079 4.583 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001360989298 1066160471 /nfs/dbraw/zinc/16/04/71/1066160471.db2.gz CGUVVNUJKVLQHS-JMUQELJHSA-N 1 0 490.092 4.771 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)C2)n1CC[NH+]1CCSCC1 ZINC001360989354 1066160658 /nfs/dbraw/zinc/16/06/58/1066160658.db2.gz CVYQZNNQULIXHF-QGZVFWFLSA-N 1 0 486.032 4.583 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001360989380 1066161188 /nfs/dbraw/zinc/16/11/88/1066161188.db2.gz DGZUHKIWUHCTLG-VQIMIIECSA-N 1 0 464.079 4.583 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCCCCO ZINC001360990265 1066167018 /nfs/dbraw/zinc/16/70/18/1066167018.db2.gz RWPSMOFGCUBVSW-XJUOHMSHSA-N 1 0 490.092 4.914 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCOC1 ZINC001360990364 1066167576 /nfs/dbraw/zinc/16/75/76/1066167576.db2.gz ULWRWVFVYWIQGA-WOJBJXKFSA-N 1 0 476.065 4.692 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001360991434 1066169777 /nfs/dbraw/zinc/16/97/77/1066169777.db2.gz CHANWPMFFQGSMX-NHCUHLMSSA-N 1 0 476.065 4.789 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCC1(O)CCC1 ZINC001360992010 1066171038 /nfs/dbraw/zinc/17/10/38/1066171038.db2.gz IKYWFIHUVOTQGA-OAQYLSRUSA-N 1 0 490.092 4.771 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)[C@H]1c1cccs1 ZINC001360996942 1066175433 /nfs/dbraw/zinc/17/54/33/1066175433.db2.gz XAWVZZCJAPIKLU-BAGYTPMASA-N 1 0 457.640 4.588 20 0 JJADRO Cc1cc(C)c(Cn2c(CC(C)(C)C)nnc2N(C)C2CC[NH+](CCn3cccn3)CC2)c(C)c1 ZINC001361011440 1066194746 /nfs/dbraw/zinc/19/47/46/1066194746.db2.gz SFGZKROTXHMAJX-UHFFFAOYSA-N 1 0 477.701 4.638 20 0 JJADRO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1NC(=O)c1ccc(Br)cc1 ZINC001361013918 1066198772 /nfs/dbraw/zinc/19/87/72/1066198772.db2.gz ZSEIFJDJOBKLMZ-VQTJNVASSA-N 1 0 458.400 4.612 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2([NH+](C)C)CCCC2)c(C)c1 ZINC001361015080 1066202711 /nfs/dbraw/zinc/20/27/11/1066202711.db2.gz YWTDKCNXLHZWPK-UHFFFAOYSA-N 1 0 480.701 4.885 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361017977 1066207451 /nfs/dbraw/zinc/20/74/51/1066207451.db2.gz HEPZGQPFFGLVEQ-RJGXRXQPSA-N 1 0 471.715 4.784 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccoc3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001361020789 1066211011 /nfs/dbraw/zinc/21/10/11/1066211011.db2.gz HWLSUMKZIZQGRP-JOCHJYFZSA-N 1 0 451.615 4.968 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361021173 1066213684 /nfs/dbraw/zinc/21/36/84/1066213684.db2.gz SGUVNFJJMUTEJV-GHTZIAJQSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001361021379 1066214454 /nfs/dbraw/zinc/21/44/54/1066214454.db2.gz WCOUDGUOLYGHKL-FQEVSTJZSA-N 1 0 477.531 4.903 20 0 JJADRO CC[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC(C)C)CC1)[NH+]1CCCC1 ZINC001545951840 1066222651 /nfs/dbraw/zinc/22/26/51/1066222651.db2.gz CWSDVGSQIUZEDZ-IRLDBZIGSA-N 1 0 473.637 4.825 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545952030 1066224208 /nfs/dbraw/zinc/22/42/08/1066224208.db2.gz GWTLYTLTOCXLDU-VNMGMYBJSA-N 1 0 473.637 4.683 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cscn1)[NH+]1CCCC1 ZINC001545952037 1066224589 /nfs/dbraw/zinc/22/45/89/1066224589.db2.gz GYZBNYVPLREQLW-FXAWDEMLSA-N 1 0 458.607 4.525 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC=CCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361028592 1066233912 /nfs/dbraw/zinc/23/39/12/1066233912.db2.gz MEOIEKQLTDDIDP-ZRZAMGCNSA-N 1 0 451.659 4.997 20 0 JJADRO CCCN(C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442869052 1066234305 /nfs/dbraw/zinc/23/43/05/1066234305.db2.gz JFQLKOOCVFMOFW-NZQKXSOJSA-N 1 0 452.517 4.631 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3c(Cl)cccc3OCC3CC3)C2)ccn1 ZINC001454015073 1066235069 /nfs/dbraw/zinc/23/50/69/1066235069.db2.gz QNAKRZJCYIZRCJ-NRFANRHFSA-N 1 0 458.002 4.658 20 0 JJADRO CCSc1ccc(CC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c(Br)c1 ZINC001442877897 1066236014 /nfs/dbraw/zinc/23/60/14/1066236014.db2.gz KOYVQANZJWLAQW-IBGZPJMESA-N 1 0 451.430 4.958 20 0 JJADRO CCCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442879719 1066236506 /nfs/dbraw/zinc/23/65/06/1066236506.db2.gz QVUSEFYTBHEWGL-GOTSBHOMSA-N 1 0 457.659 4.783 20 0 JJADRO CC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)OC ZINC001545952572 1066237646 /nfs/dbraw/zinc/23/76/46/1066237646.db2.gz MICAIASLKNIFIL-YTFSRNRJSA-N 1 0 455.647 4.525 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)OC ZINC001545952569 1066237899 /nfs/dbraw/zinc/23/78/99/1066237899.db2.gz MICAIASLKNIFIL-DNVJHFABSA-N 1 0 455.647 4.525 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001361031448 1066241656 /nfs/dbraw/zinc/24/16/56/1066241656.db2.gz RNAUQFKTYOJXNS-XMMPIXPASA-N 1 0 483.701 4.990 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361032651 1066246848 /nfs/dbraw/zinc/24/68/48/1066246848.db2.gz SYJRZPKJZOFTML-PKTZIBPZSA-N 1 0 469.674 4.742 20 0 JJADRO CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCCC[C@@H]3[C@H](C)C[NH+](C)C)c2)cc1 ZINC001454118464 1066247626 /nfs/dbraw/zinc/24/76/26/1066247626.db2.gz GMFQMOOAFVRKQM-JIPXPUAJSA-N 1 0 450.623 4.980 20 0 JJADRO Cc1ccc([C@](O)(CC(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)C(F)(F)F)o1 ZINC001454123752 1066248807 /nfs/dbraw/zinc/24/88/07/1066248807.db2.gz YBAWRHYEQQQNFI-HSZRJFAPSA-N 1 0 452.517 4.630 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3Cc3cccs3)n2C[C@H](C)[NH+](C)C)c1 ZINC001361035021 1066252493 /nfs/dbraw/zinc/25/24/93/1066252493.db2.gz MZFCVOZKQYEAQF-SFTDATJTSA-N 1 0 453.656 4.697 20 0 JJADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001443010865 1066252729 /nfs/dbraw/zinc/25/27/29/1066252729.db2.gz JCHPVUBSJXQDFR-HXUWFJFHSA-N 1 0 458.444 4.578 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361035190 1066253067 /nfs/dbraw/zinc/25/30/67/1066253067.db2.gz AKCOYNHCBHWLNM-UHFFFAOYSA-N 1 0 467.580 4.840 20 0 JJADRO CCC[NH+]1CCC(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)CC1 ZINC001443015475 1066253508 /nfs/dbraw/zinc/25/35/08/1066253508.db2.gz IYXSPSOGUXDUPD-LJQANCHMSA-N 1 0 457.537 4.509 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCC[NH+]2CCCCC2)c1 ZINC001361038706 1066257833 /nfs/dbraw/zinc/25/78/33/1066257833.db2.gz NBNHDVKMCRLTPA-DEOSSOPVSA-N 1 0 469.674 4.601 20 0 JJADRO Cc1ccccc1C1(C(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CCCC1 ZINC001443049531 1066258285 /nfs/dbraw/zinc/25/82/85/1066258285.db2.gz KFFIXXGNHXUOET-UHFFFAOYSA-N 1 0 450.623 4.613 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361038803 1066258304 /nfs/dbraw/zinc/25/83/04/1066258304.db2.gz PKLVDGTVGYXLQP-NDEPHWFRSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1cc2scc(CC(=O)NCc3cccc(OCC[N@@H+](C)C4CCOCC4)c3)c2s1 ZINC001443054130 1066259825 /nfs/dbraw/zinc/25/98/25/1066259825.db2.gz UFCFCEVJAFUSIM-UHFFFAOYSA-N 1 0 458.649 4.620 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSCC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001361039888 1066262318 /nfs/dbraw/zinc/26/23/18/1066262318.db2.gz YHRFBAXLSGQDPA-KBMIEXCESA-N 1 0 457.688 4.538 20 0 JJADRO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098387 1066267487 /nfs/dbraw/zinc/26/74/87/1066267487.db2.gz PFOXGEMOXBPMFW-AVRDEDQJSA-N 1 0 451.369 4.945 20 0 JJADRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098400 1066267522 /nfs/dbraw/zinc/26/75/22/1066267522.db2.gz PFOXGEMOXBPMFW-XMSQKQJNSA-N 1 0 451.369 4.945 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001443102028 1066268909 /nfs/dbraw/zinc/26/89/09/1066268909.db2.gz KJDHSUZPPLEBSZ-UHFFFAOYSA-N 1 0 451.611 4.947 20 0 JJADRO Cc1cc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC[NH+](C(C)C)C(C)C)c2ccccc2n1 ZINC001361045567 1066270348 /nfs/dbraw/zinc/27/03/48/1066270348.db2.gz BUMBPZXDIIXZJR-JOCHJYFZSA-N 1 0 464.658 4.783 20 0 JJADRO Cc1cc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361045535 1066270453 /nfs/dbraw/zinc/27/04/53/1066270453.db2.gz ALVSPFINECGEPI-YADHBBJMSA-N 1 0 464.658 4.783 20 0 JJADRO CC[N@H+](CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1CC1 ZINC001443129192 1066271538 /nfs/dbraw/zinc/27/15/38/1066271538.db2.gz BPVMHHFJOTYUGH-UHFFFAOYSA-N 1 0 453.384 4.516 20 0 JJADRO Cc1cc(-c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC001361046158 1066274525 /nfs/dbraw/zinc/27/45/25/1066274525.db2.gz XNDZZUFBCJDWNN-FGZHOGPDSA-N 1 0 464.658 4.641 20 0 JJADRO C[NH+](C)CCCN(C(=O)c1cnc(C2CCCC2)nc1N)C(c1ccccc1)c1ccccc1 ZINC001443155004 1066275353 /nfs/dbraw/zinc/27/53/53/1066275353.db2.gz RNVKBEFHIAPIMW-UHFFFAOYSA-N 1 0 457.622 4.900 20 0 JJADRO CCCc1nc(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)nn1-c1ccccc1Cl ZINC001443166249 1066276582 /nfs/dbraw/zinc/27/65/82/1066276582.db2.gz OROMGYAPMIHBFH-OAQYLSRUSA-N 1 0 452.002 4.830 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001361048661 1066278492 /nfs/dbraw/zinc/27/84/92/1066278492.db2.gz ZVIHBXYUNFBZSY-FGCOXFRFSA-N 1 0 457.659 4.877 20 0 JJADRO CCCc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC001454406837 1066279105 /nfs/dbraw/zinc/27/91/05/1066279105.db2.gz POSJULCROYNULV-XMSQKQJNSA-N 1 0 452.002 4.514 20 0 JJADRO CCCc1c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)nnn1-c1cccc(Cl)c1 ZINC001454406820 1066279276 /nfs/dbraw/zinc/27/92/76/1066279276.db2.gz POSJULCROYNULV-AVRDEDQJSA-N 1 0 452.002 4.514 20 0 JJADRO CC[C@H](Cn1c(C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001545955573 1066280207 /nfs/dbraw/zinc/28/02/07/1066280207.db2.gz XTMPZQLBTQKXRU-RUZDIDTESA-N 1 0 496.700 4.507 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001454407788 1066280295 /nfs/dbraw/zinc/28/02/95/1066280295.db2.gz RQTMLKIBLDVNBU-IFXJQAMLSA-N 1 0 451.792 4.752 20 0 JJADRO Cc1cc(-c2nnc(N(C)CCOC(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2n1 ZINC001361049217 1066280791 /nfs/dbraw/zinc/28/07/91/1066280791.db2.gz WOZQNWHPMRXKLA-JOCHJYFZSA-N 1 0 494.684 4.554 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546061580 1066281576 /nfs/dbraw/zinc/28/15/76/1066281576.db2.gz BZILEZGXMLIHRI-HJJDGDTKSA-N 1 0 473.637 4.683 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCSC(C)(C)C1)[NH+]1CCCC1 ZINC001545955442 1066283593 /nfs/dbraw/zinc/28/35/93/1066283593.db2.gz VEYVPMDOZATNGP-RTBURBONSA-N 1 0 461.651 4.763 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@H](SC)C1)[NH+]1CCCC1 ZINC001545956689 1066289818 /nfs/dbraw/zinc/28/98/18/1066289818.db2.gz HJBJFMHRQSLLST-OALUTQOASA-N 1 0 495.535 4.642 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(F)(F)F)[NH+]1CCCC1 ZINC001545956722 1066290701 /nfs/dbraw/zinc/29/07/01/1066290701.db2.gz HXDZRPOBOWEPQX-INIZCTEOSA-N 1 0 460.342 4.581 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3csc(NC4(C)CCCC4)n3)cc2F)CC1 ZINC001443293872 1066291164 /nfs/dbraw/zinc/29/11/64/1066291164.db2.gz ISFPCKXAMSNGMM-UHFFFAOYSA-N 1 0 459.635 4.738 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)no1 ZINC001361054858 1066291258 /nfs/dbraw/zinc/29/12/58/1066291258.db2.gz IXNTUQCDPOJECY-GJZGRUSLSA-N 1 0 493.475 4.822 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1)OC ZINC001545956738 1066291380 /nfs/dbraw/zinc/29/13/80/1066291380.db2.gz IFXGXKDHSIBHFP-JOCHJYFZSA-N 1 0 490.490 4.835 20 0 JJADRO CC(C)C[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC001443298867 1066291895 /nfs/dbraw/zinc/29/18/95/1066291895.db2.gz DAFGBEYYFQICNL-LJQANCHMSA-N 1 0 457.537 4.508 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)no1 ZINC001361055070 1066293167 /nfs/dbraw/zinc/29/31/67/1066293167.db2.gz QRLNWNVMCQZXHI-KRWDZBQOSA-N 1 0 487.446 4.761 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(CC)C1)[NH+]1CCCC1 ZINC001545957103 1066296417 /nfs/dbraw/zinc/29/64/17/1066296417.db2.gz OYSGLUWUOYTKBE-XMSQKQJNSA-N 1 0 463.468 4.547 20 0 JJADRO O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001443352463 1066298593 /nfs/dbraw/zinc/29/85/93/1066298593.db2.gz BCIOIFONBPHNNL-UHFFFAOYSA-N 1 0 457.014 4.613 20 0 JJADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001443352692 1066299367 /nfs/dbraw/zinc/29/93/67/1066299367.db2.gz BRSSIGOOOXCZCT-UHFFFAOYSA-N 1 0 452.382 4.722 20 0 JJADRO CC(C)NC(=O)Nc1cccc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC001443358238 1066301485 /nfs/dbraw/zinc/30/14/85/1066301485.db2.gz NJUCLBIOYPADOM-UHFFFAOYSA-N 1 0 450.627 4.681 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545957464 1066301813 /nfs/dbraw/zinc/30/18/13/1066301813.db2.gz WQOHUMSEOCVZTI-MJGOQNOKSA-N 1 0 477.495 4.793 20 0 JJADRO C[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001546063299 1066302292 /nfs/dbraw/zinc/30/22/92/1066302292.db2.gz MTEVZEMXYNPEKR-HXUWFJFHSA-N 1 0 459.556 4.697 20 0 JJADRO Cc1cccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CC=CCC2)c1 ZINC001361066418 1066305991 /nfs/dbraw/zinc/30/59/91/1066305991.db2.gz JSBPFPGTCBMFAF-QHCPKHFHSA-N 1 0 480.657 4.557 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC001361066908 1066307307 /nfs/dbraw/zinc/30/73/07/1066307307.db2.gz XLWYGDZGUGQJRI-DAVBRLECSA-N 1 0 486.705 4.886 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC001361066909 1066307487 /nfs/dbraw/zinc/30/74/87/1066307487.db2.gz XLWYGDZGUGQJRI-IYRWYFENSA-N 1 0 486.705 4.886 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)no1 ZINC001361066879 1066307577 /nfs/dbraw/zinc/30/75/77/1066307577.db2.gz WOCOOMSIGXWIFV-QHCPKHFHSA-N 1 0 487.048 4.954 20 0 JJADRO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc1 ZINC001454604638 1066308505 /nfs/dbraw/zinc/30/85/05/1066308505.db2.gz MNHNXFDUAMVHNL-UHFFFAOYSA-N 1 0 451.636 4.674 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001545958353 1066308867 /nfs/dbraw/zinc/30/88/67/1066308867.db2.gz BKCXTPYPPBBYQI-IBGZPJMESA-N 1 0 477.600 4.815 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545959080 1066316117 /nfs/dbraw/zinc/31/61/17/1066316117.db2.gz PLLAXFBXQBWFKI-SFHVURJKSA-N 1 0 493.494 4.694 20 0 JJADRO CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C2CCCCC2)CC1)OC ZINC001545959078 1066316346 /nfs/dbraw/zinc/31/63/46/1066316346.db2.gz PLHITXZVPCYVMC-LJQANCHMSA-N 1 0 494.453 4.726 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+]1CCCC1 ZINC001545959233 1066318545 /nfs/dbraw/zinc/31/85/45/1066318545.db2.gz SEIZGCUTLCBBRI-ZHALLVOQSA-N 1 0 465.614 4.751 20 0 JJADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)CC1 ZINC001443501528 1066319406 /nfs/dbraw/zinc/31/94/06/1066319406.db2.gz VZIDABZDZCSFCU-OAHLLOKOSA-N 1 0 453.414 4.528 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+]1CCCC1 ZINC001545959380 1066321226 /nfs/dbraw/zinc/32/12/26/1066321226.db2.gz VDJPHMWHGZLZRK-FPOVZHCZSA-N 1 0 485.673 4.718 20 0 JJADRO CC[C@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545959575 1066322929 /nfs/dbraw/zinc/32/29/29/1066322929.db2.gz YSJGCLJZPWLDCS-LEWJYISDSA-N 1 0 485.673 4.718 20 0 JJADRO Nc1c(Br)cc(F)cc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001443543051 1066327636 /nfs/dbraw/zinc/32/76/36/1066327636.db2.gz XLXLPPYJCDVRFE-UHFFFAOYSA-N 1 0 454.771 4.562 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001361087971 1066328313 /nfs/dbraw/zinc/32/83/13/1066328313.db2.gz DKKWPOAVGNKIOG-UNMCSNQZSA-N 1 0 490.092 4.599 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001443551702 1066328803 /nfs/dbraw/zinc/32/88/03/1066328803.db2.gz OZWHTPYRYWWWIH-DHIUTWEWSA-N 1 0 457.659 4.973 20 0 JJADRO Cc1cc(C)c(C(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)cc1I ZINC001454746294 1066330498 /nfs/dbraw/zinc/33/04/98/1066330498.db2.gz LSBIYSWAILUTCF-GOSISDBHSA-N 1 0 454.396 4.635 20 0 JJADRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001454744640 1066330600 /nfs/dbraw/zinc/33/06/00/1066330600.db2.gz IXXSCJBCKNPEQB-ZEQRLZLVSA-N 1 0 457.659 4.626 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001454749405 1066330979 /nfs/dbraw/zinc/33/09/79/1066330979.db2.gz ZDCYQNKOFXJDAT-ZFJSRUIDSA-N 1 0 479.448 4.740 20 0 JJADRO CN(CCCCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C(=O)OC(C)(C)C ZINC001443583740 1066332540 /nfs/dbraw/zinc/33/25/40/1066332540.db2.gz XPWBLORPOXGAMN-UHFFFAOYSA-N 1 0 452.039 4.705 20 0 JJADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3nn(-c4ccc(F)cc4)cc3Br)c2C1 ZINC001546065217 1066332947 /nfs/dbraw/zinc/33/29/47/1066332947.db2.gz IPVVYOXAERKPQB-UHFFFAOYSA-N 1 0 457.347 4.998 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001361089007 1066333705 /nfs/dbraw/zinc/33/37/05/1066333705.db2.gz OUHZRMJQNDBGMA-BVSLBCMMSA-N 1 0 490.092 4.597 20 0 JJADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@]3(C)Cc3ccc(F)c(Cl)c3)CC2)c1 ZINC001454784002 1066334196 /nfs/dbraw/zinc/33/41/96/1066334196.db2.gz FMSWYPKEOZIYCJ-AREMUKBSSA-N 1 0 458.021 4.923 20 0 JJADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ncc(Br)cc3Br)c2C1 ZINC001546065602 1066335486 /nfs/dbraw/zinc/33/54/86/1066335486.db2.gz TWQMHXTVUCBAGM-UHFFFAOYSA-N 1 0 453.178 4.831 20 0 JJADRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)C1 ZINC001443615592 1066337763 /nfs/dbraw/zinc/33/77/63/1066337763.db2.gz BWOGGWFHCVTFLQ-QLBJFCOMSA-N 1 0 454.659 4.822 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001546065940 1066337984 /nfs/dbraw/zinc/33/79/84/1066337984.db2.gz CMIHVCFQLWTRSM-AREMUKBSSA-N 1 0 455.647 4.852 20 0 JJADRO CCCN(C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443623580 1066338672 /nfs/dbraw/zinc/33/86/72/1066338672.db2.gz KIWPVAYYTKQCLM-QPPBQGQZSA-N 1 0 457.659 4.578 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC(C)(C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001361090771 1066339384 /nfs/dbraw/zinc/33/93/84/1066339384.db2.gz JPPBNQUEKQVYST-HXUWFJFHSA-N 1 0 490.092 4.599 20 0 JJADRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443628240 1066339810 /nfs/dbraw/zinc/33/98/10/1066339810.db2.gz BKRSFZXOQNYKGA-FQEVSTJZSA-N 1 0 451.998 4.589 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001546066489 1066341251 /nfs/dbraw/zinc/34/12/51/1066341251.db2.gz OUDMECCAKFYRAK-XXBNENTESA-N 1 0 476.463 4.683 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001546066487 1066341398 /nfs/dbraw/zinc/34/13/98/1066341398.db2.gz OUDMECCAKFYRAK-CVDCTZTESA-N 1 0 476.463 4.683 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CC[NH+]1CCCCC1 ZINC001361091873 1066342407 /nfs/dbraw/zinc/34/24/07/1066342407.db2.gz WJHYZZLVQSQCJI-CTNGQTDRSA-N 1 0 464.029 4.532 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1CC(F)(F)F ZINC001361091858 1066342698 /nfs/dbraw/zinc/34/26/98/1066342698.db2.gz VYRXSXPWMIPSCX-UHFFFAOYSA-N 1 0 485.982 4.878 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001546066626 1066343079 /nfs/dbraw/zinc/34/30/79/1066343079.db2.gz RMYPJSDRFUMKFU-RUZDIDTESA-N 1 0 455.647 4.853 20 0 JJADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001443649172 1066344742 /nfs/dbraw/zinc/34/47/42/1066344742.db2.gz VURZXKQLLISHBN-DEOSSOPVSA-N 1 0 453.627 4.669 20 0 JJADRO CC[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC001545960922 1066346631 /nfs/dbraw/zinc/34/66/31/1066346631.db2.gz LXZHZUXLWGKQAY-MRXNPFEDSA-N 1 0 498.416 4.826 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001546066961 1066347207 /nfs/dbraw/zinc/34/72/07/1066347207.db2.gz YPXVEEOCZFQVTA-FQRUVTKNSA-N 1 0 455.647 4.711 20 0 JJADRO Cc1cccc(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001361099196 1066349311 /nfs/dbraw/zinc/34/93/11/1066349311.db2.gz CFQBRQUJBIUCJW-ICTDUYRTSA-N 1 0 469.674 4.906 20 0 JJADRO Cc1cccc(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001361099197 1066349324 /nfs/dbraw/zinc/34/93/24/1066349324.db2.gz CFQBRQUJBIUCJW-XCRWMPKNSA-N 1 0 469.674 4.906 20 0 JJADRO Cc1cccc(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361099777 1066349846 /nfs/dbraw/zinc/34/98/46/1066349846.db2.gz LDPBYPNYFDXLQO-HDICACEKSA-N 1 0 487.446 4.611 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCC1 ZINC001545961124 1066350522 /nfs/dbraw/zinc/35/05/22/1066350522.db2.gz PBITXOIRUQUNGY-HXUWFJFHSA-N 1 0 478.479 4.833 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)c3cccc(C)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001361102838 1066352106 /nfs/dbraw/zinc/35/21/06/1066352106.db2.gz HLSMAZKOIQAKQG-FGZHOGPDSA-N 1 0 463.674 4.974 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)c3cccc(C)c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001361102839 1066352259 /nfs/dbraw/zinc/35/22/59/1066352259.db2.gz HLSMAZKOIQAKQG-SZPZYZBQSA-N 1 0 463.674 4.974 20 0 JJADRO Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001361103134 1066352674 /nfs/dbraw/zinc/35/26/74/1066352674.db2.gz SQKSBZRLRYEJJC-UHFFFAOYSA-N 1 0 480.682 4.858 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012608 1066353275 /nfs/dbraw/zinc/35/32/75/1066353275.db2.gz PVHASTWWMYLSJM-QDSKXPNFSA-N 1 0 451.611 4.588 20 0 JJADRO Cc1cccc(O[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001361106421 1066355557 /nfs/dbraw/zinc/35/55/57/1066355557.db2.gz FMDRFBUILPBESM-QFIPXVFZSA-N 1 0 462.642 4.674 20 0 JJADRO Cc1cccc(O[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001361108239 1066357003 /nfs/dbraw/zinc/35/70/03/1066357003.db2.gz UYQPPIHOTCSTPM-OAQYLSRUSA-N 1 0 450.631 4.606 20 0 JJADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001455096817 1066359983 /nfs/dbraw/zinc/35/99/83/1066359983.db2.gz INAGCXCGWBHGBY-SANMLTNESA-N 1 0 457.615 4.898 20 0 JJADRO Cc1cccc(OCCN(C)c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001361110927 1066360460 /nfs/dbraw/zinc/36/04/60/1066360460.db2.gz UEOGUXJWPVAXGS-JOCHJYFZSA-N 1 0 451.615 4.829 20 0 JJADRO Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361112478 1066363424 /nfs/dbraw/zinc/36/34/24/1066363424.db2.gz XWRQZYXXKZGJKU-WXFUMESZSA-N 1 0 483.701 4.752 20 0 JJADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001443770026 1066365408 /nfs/dbraw/zinc/36/54/08/1066365408.db2.gz GTMFWBMLDISOJB-ASDGIDEWSA-N 1 0 455.687 4.557 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC001443804767 1066370218 /nfs/dbraw/zinc/37/02/18/1066370218.db2.gz SCQYHRJVXMIJER-QHCPKHFHSA-N 1 0 452.002 4.664 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CCC[NH+]2CCCC2)c1 ZINC001361123436 1066373396 /nfs/dbraw/zinc/37/33/96/1066373396.db2.gz AVHZFKKCOPLYEG-NRFANRHFSA-N 1 0 457.688 4.717 20 0 JJADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC2CCCCC2)cc1 ZINC001455237022 1066374066 /nfs/dbraw/zinc/37/40/66/1066374066.db2.gz LPLVBNAEKWOFIS-UHFFFAOYSA-N 1 0 450.623 4.793 20 0 JJADRO CCn1c(SCC(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)nnc1-c1ccccc1C ZINC001455250698 1066375137 /nfs/dbraw/zinc/37/51/37/1066375137.db2.gz CTZUGUVVSJTPJK-UHFFFAOYSA-N 1 0 455.672 4.623 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1cnccn1)[NH+]1CCCC1 ZINC001545962756 1066375169 /nfs/dbraw/zinc/37/51/69/1066375169.db2.gz JLBOZYGAUVUTRK-XMMPIXPASA-N 1 0 461.658 4.586 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361124061 1066376529 /nfs/dbraw/zinc/37/65/29/1066376529.db2.gz VUBOOABLBCWTOT-BJKOFHAPSA-N 1 0 483.701 4.882 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)c2)n1 ZINC001455296397 1066381632 /nfs/dbraw/zinc/38/16/32/1066381632.db2.gz VTVWGEGPTAAYEC-QHCPKHFHSA-N 1 0 459.594 4.669 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001361126010 1066381735 /nfs/dbraw/zinc/38/17/35/1066381735.db2.gz IYAVUUOJJVTTGE-HJMQJNHMSA-N 1 0 497.728 4.862 20 0 JJADRO O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001455312958 1066382551 /nfs/dbraw/zinc/38/25/51/1066382551.db2.gz YYNDHPFPQWITNH-ZRZWOPFXSA-N 1 0 456.533 4.588 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361126264 1066382888 /nfs/dbraw/zinc/38/28/88/1066382888.db2.gz PDVJBGPGAYSQEA-FGZHOGPDSA-N 1 0 469.674 4.777 20 0 JJADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)C1 ZINC001443897529 1066383040 /nfs/dbraw/zinc/38/30/40/1066383040.db2.gz QDQINUZVWZVUJD-XUZZJYLKSA-N 1 0 451.611 4.671 20 0 JJADRO CN(C(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC001443909159 1066384382 /nfs/dbraw/zinc/38/43/82/1066384382.db2.gz ORWFRICDEWGSGO-UHFFFAOYSA-N 1 0 455.558 4.626 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001361126562 1066385348 /nfs/dbraw/zinc/38/53/48/1066385348.db2.gz UYCRSMHGSIVJOO-TZRRMPRUSA-N 1 0 483.701 4.618 20 0 JJADRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CCOCC1)c1ccccc1 ZINC001443933073 1066386158 /nfs/dbraw/zinc/38/61/58/1066386158.db2.gz XPTFBVYBSRWFGL-LJQANCHMSA-N 1 0 453.583 4.663 20 0 JJADRO Cc1ccc(Br)c2[nH]c(C(=O)NCC3([NH+]4CCSCC4)CCCCC3)cc21 ZINC001443929482 1066386413 /nfs/dbraw/zinc/38/64/13/1066386413.db2.gz RPCMFXYWYCBYSD-UHFFFAOYSA-N 1 0 450.446 4.720 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001546072623 1066389601 /nfs/dbraw/zinc/38/96/01/1066389601.db2.gz HXENLDWJQNJIAV-SANMLTNESA-N 1 0 475.628 4.663 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361128308 1066391525 /nfs/dbraw/zinc/39/15/25/1066391525.db2.gz WJCFHASFPMWBQO-UHFFFAOYSA-N 1 0 492.668 4.683 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CCC(C)C)c1 ZINC001361128512 1066392049 /nfs/dbraw/zinc/39/20/49/1066392049.db2.gz YGCMXGTWXZQSMR-RUZDIDTESA-N 1 0 496.744 4.940 20 0 JJADRO CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456009 1066392486 /nfs/dbraw/zinc/39/24/86/1066392486.db2.gz MXPNIBSDIOBXKJ-ZEQRLZLVSA-N 1 0 459.556 4.578 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](CC4CC4)CC3)n2CCC(C)(F)F)c1 ZINC001361130047 1066394374 /nfs/dbraw/zinc/39/43/74/1066394374.db2.gz HLPSOJIYBJMLFV-UHFFFAOYSA-N 1 0 461.601 4.866 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)CCCCC1 ZINC001455495699 1066397655 /nfs/dbraw/zinc/39/76/55/1066397655.db2.gz KTOYZJDLTFVXBC-JOCHJYFZSA-N 1 0 457.659 4.973 20 0 JJADRO CCC(CC)(CNC(=O)c1nnn(-c2ccc3ncccc3c2)c1C)[NH2+][C@@H](C)c1ccccc1 ZINC001444088635 1066403932 /nfs/dbraw/zinc/40/39/32/1066403932.db2.gz LYEROEDOBOMPEG-IBGZPJMESA-N 1 0 456.594 4.763 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1)OC ZINC001545964607 1066410823 /nfs/dbraw/zinc/41/08/23/1066410823.db2.gz HLPXYMJPMUKGJP-QHCPKHFHSA-N 1 0 483.060 4.767 20 0 JJADRO O=C(Cc1cc(Br)ccc1F)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444134380 1066411697 /nfs/dbraw/zinc/41/16/97/1066411697.db2.gz LKMQWYIDIAYVBN-QGZVFWFLSA-N 1 0 459.281 4.540 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1)OC ZINC001545964613 1066411874 /nfs/dbraw/zinc/41/18/74/1066411874.db2.gz HRAVVJIUVQKWEQ-LJQANCHMSA-N 1 0 450.002 4.617 20 0 JJADRO Cc1ccc([C@H](Cn2c(C3CC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361139081 1066414452 /nfs/dbraw/zinc/41/44/52/1066414452.db2.gz FUKQGEGFPBHZNK-GOTSBHOMSA-N 1 0 482.673 4.603 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC([C@@H]3CCOC3)CC2)[NH+](C)C)cc1 ZINC001361139397 1066415005 /nfs/dbraw/zinc/41/50/05/1066415005.db2.gz JESJRHGWSGMZPY-DNQXCXABSA-N 1 0 453.675 4.731 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@H]3CC3(F)F)c2)[NH+](C)C)cc1 ZINC001361139451 1066415053 /nfs/dbraw/zinc/41/50/53/1066415053.db2.gz JXLDFQFTUYAIJF-UXHICEINSA-N 1 0 457.573 4.998 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@H]3CC3(F)F)c2)[NH+](C)C)cc1 ZINC001361139450 1066415094 /nfs/dbraw/zinc/41/50/94/1066415094.db2.gz JXLDFQFTUYAIJF-PMACEKPBSA-N 1 0 457.573 4.998 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)[NH+]2CCCC2)cc1 ZINC001361139445 1066415112 /nfs/dbraw/zinc/41/51/12/1066415112.db2.gz JVMVJTCDXDCVOS-BVSLBCMMSA-N 1 0 479.591 4.778 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)[NH+]2CCCC2)cc1 ZINC001361139444 1066415153 /nfs/dbraw/zinc/41/51/53/1066415153.db2.gz JVMVJTCDXDCVOS-BAGYTPMASA-N 1 0 479.591 4.778 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCCC2)CC1)OC ZINC001545964930 1066415530 /nfs/dbraw/zinc/41/55/30/1066415530.db2.gz MPGUPUOESYRXOR-IBGZPJMESA-N 1 0 450.002 4.617 20 0 JJADRO Cc1ccc([C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC001361139734 1066415897 /nfs/dbraw/zinc/41/58/97/1066415897.db2.gz OMOKDUNQRQZMJT-LEWJYISDSA-N 1 0 465.564 4.706 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cc(Cl)ccn2)[NH+](C)C)cc1 ZINC001361140348 1066417075 /nfs/dbraw/zinc/41/70/75/1066417075.db2.gz ZDCOVCXJZVGWRT-DEOSSOPVSA-N 1 0 476.028 4.945 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC001361140532 1066418135 /nfs/dbraw/zinc/41/81/35/1066418135.db2.gz CKZJIDPYQSCMGL-DEOSSOPVSA-N 1 0 451.663 4.622 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC001545965203 1066420013 /nfs/dbraw/zinc/42/00/13/1066420013.db2.gz RQNUULQDKCVDJV-HXUWFJFHSA-N 1 0 485.032 4.522 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+]1CCCC1 ZINC001545965254 1066420244 /nfs/dbraw/zinc/42/02/44/1066420244.db2.gz TXYYACSCYSZJBF-ZHALLVOQSA-N 1 0 464.079 4.812 20 0 JJADRO Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC001361141154 1066420240 /nfs/dbraw/zinc/42/02/40/1066420240.db2.gz KPDOHQJAFWRJTQ-NRFANRHFSA-N 1 0 470.712 4.577 20 0 JJADRO Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1I ZINC001444163067 1066422503 /nfs/dbraw/zinc/42/25/03/1066422503.db2.gz FJCFOLPSMUNKMO-ZWKOTPCHSA-N 1 0 454.396 4.635 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001546075285 1066426135 /nfs/dbraw/zinc/42/61/35/1066426135.db2.gz LGZFVJDIMXQHNS-RUZDIDTESA-N 1 0 452.672 4.782 20 0 JJADRO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001455752942 1066428063 /nfs/dbraw/zinc/42/80/63/1066428063.db2.gz BAAIOCHBCOZYFT-DLBZAZTESA-N 1 0 454.562 4.642 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361145667 1066429457 /nfs/dbraw/zinc/42/94/57/1066429457.db2.gz FOVHPUCAMUAFNN-UNMCSNQZSA-N 1 0 471.715 4.926 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361145697 1066429552 /nfs/dbraw/zinc/42/95/52/1066429552.db2.gz GODIYOCSWMHIML-HXUWFJFHSA-N 1 0 467.580 4.983 20 0 JJADRO COc1ccc(C(=O)C(=O)Nc2ccc(C[N@H+](C)CCOc3ccccc3)cc2)cc1Cl ZINC001455811579 1066435635 /nfs/dbraw/zinc/43/56/35/1066435635.db2.gz OSIIKZYWUNNQHA-UHFFFAOYSA-N 1 0 452.938 4.681 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001361148843 1066437476 /nfs/dbraw/zinc/43/74/76/1066437476.db2.gz ZAIQCEOJXLMPRX-RPBOFIJWSA-N 1 0 483.701 4.847 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001455821262 1066438302 /nfs/dbraw/zinc/43/83/02/1066438302.db2.gz DOIKFPOTEXDNKS-HHHXNRCGSA-N 1 0 455.643 4.538 20 0 JJADRO CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001455828124 1066439559 /nfs/dbraw/zinc/43/95/59/1066439559.db2.gz MWRNRLJYRAHYDA-JTMVAAEOSA-N 1 0 450.623 4.695 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001361151187 1066442000 /nfs/dbraw/zinc/44/20/00/1066442000.db2.gz DOFWWQMCKSIIEA-QHCPKHFHSA-N 1 0 471.690 4.987 20 0 JJADRO C[C@@H](NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC001444279369 1066442600 /nfs/dbraw/zinc/44/26/00/1066442600.db2.gz LGDQMBGSLQLBHI-GFCCVEGCSA-N 1 0 450.427 4.616 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001361151345 1066442632 /nfs/dbraw/zinc/44/26/32/1066442632.db2.gz HMIWFZLCPOAGQA-RBBKRZOGSA-N 1 0 483.682 4.842 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361151377 1066442665 /nfs/dbraw/zinc/44/26/65/1066442665.db2.gz IFZZBJPIDGYRNW-DHIUTWEWSA-N 1 0 469.674 4.598 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361151621 1066443256 /nfs/dbraw/zinc/44/32/56/1066443256.db2.gz CCXLETAGCMNIEE-LJQANCHMSA-N 1 0 465.564 4.737 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361151708 1066443831 /nfs/dbraw/zinc/44/38/31/1066443831.db2.gz DWLTYNYJBMORKB-TZRRMPRUSA-N 1 0 483.701 4.846 20 0 JJADRO COc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)ccc1OCc1ccc(Cl)cc1Cl ZINC001444287824 1066444012 /nfs/dbraw/zinc/44/40/12/1066444012.db2.gz ZCTVLEHIHPMUFP-INIZCTEOSA-N 1 0 451.394 4.995 20 0 JJADRO COc1ccc(N(CCc2ccccc2)C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC001444321283 1066448793 /nfs/dbraw/zinc/44/87/93/1066448793.db2.gz HGNABYGFVWOOJG-UHFFFAOYSA-N 1 0 457.618 4.792 20 0 JJADRO Cc1cc(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)ccc1OCC[NH+]1CCCC1 ZINC001444345722 1066452549 /nfs/dbraw/zinc/45/25/49/1066452549.db2.gz GMHQPGYILAVPIX-WNCULLNHSA-N 1 0 471.642 4.978 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361155018 1066452544 /nfs/dbraw/zinc/45/25/44/1066452544.db2.gz IZMSXRGHHGKRAK-RPBOFIJWSA-N 1 0 483.701 4.846 20 0 JJADRO C[NH+]1CCN(C[C@H](NC(=O)CC(Cc2ccccc2)Cc2ccccc2)c2ccccc2)CC1 ZINC001455934361 1066454472 /nfs/dbraw/zinc/45/44/72/1066454472.db2.gz RVZDQDQRSOCYSV-LJAQVGFWSA-N 1 0 455.646 4.583 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCC(C)(C)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361156034 1066456764 /nfs/dbraw/zinc/45/67/64/1066456764.db2.gz LKDMWTMTHSLWFY-GOTSBHOMSA-N 1 0 469.674 4.600 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1 ZINC001455950181 1066458242 /nfs/dbraw/zinc/45/82/42/1066458242.db2.gz GZGQJAOKMGMEHK-QFIPXVFZSA-N 1 0 457.537 4.590 20 0 JJADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1 ZINC001455956683 1066459907 /nfs/dbraw/zinc/45/99/07/1066459907.db2.gz BBQIZLDKUPIDOI-UHFFFAOYSA-N 1 0 451.611 4.887 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCC4(CCOCC4)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001361158441 1066461347 /nfs/dbraw/zinc/46/13/47/1066461347.db2.gz AWADDJDXVJWVSM-UHFFFAOYSA-N 1 0 483.701 4.990 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361159080 1066463073 /nfs/dbraw/zinc/46/30/73/1066463073.db2.gz OAPXICAGAWXTPD-QPTUXGOLSA-N 1 0 469.674 4.600 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@H]1CC=CCC1)[NH+]1CCCC1 ZINC001545967266 1066463360 /nfs/dbraw/zinc/46/33/60/1066463360.db2.gz UCBSKDVVSZYKBU-RBBKRZOGSA-N 1 0 453.631 4.629 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccc(Cl)nc2)c1 ZINC001361159185 1066463845 /nfs/dbraw/zinc/46/38/45/1066463845.db2.gz REYOWLPXANKBPV-UHFFFAOYSA-N 1 0 483.060 4.881 20 0 JJADRO Cc1nc(C)c(CCn2c(COc3cc(C)ccc3C)nnc2N2CC[NH+](CC(C)C)CC2)s1 ZINC001361159553 1066464357 /nfs/dbraw/zinc/46/43/57/1066464357.db2.gz BYCFPKPDTMHMPU-UHFFFAOYSA-N 1 0 482.698 4.568 20 0 JJADRO CN(C)C(=O)Nc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(Cl)c1 ZINC001361160030 1066466504 /nfs/dbraw/zinc/46/65/04/1066466504.db2.gz ACWQSSNGUTXDHY-VWLOTQADSA-N 1 0 455.002 4.562 20 0 JJADRO COc1cc(CN(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(SC)cc1OC ZINC001444490634 1066466792 /nfs/dbraw/zinc/46/67/92/1066466792.db2.gz SGTJFHLITMTBHI-OAQYLSRUSA-N 1 0 454.636 4.686 20 0 JJADRO O=C(CC1CCN(CC(F)(F)F)CC1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001444500370 1066468843 /nfs/dbraw/zinc/46/88/43/1066468843.db2.gz GOUUATITTRBOJA-UHFFFAOYSA-N 1 0 451.577 4.698 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361162085 1066469028 /nfs/dbraw/zinc/46/90/28/1066469028.db2.gz HKRZKIVNVYJBFR-UPVQGACJSA-N 1 0 483.701 4.988 20 0 JJADRO C[NH+](C)CCCN(C(=O)c1ccnc(-c2ccccn2)n1)C(c1ccccc1)c1ccccc1 ZINC001455997534 1066469817 /nfs/dbraw/zinc/46/98/17/1066469817.db2.gz LNBTZMOXWDYDFE-UHFFFAOYSA-N 1 0 451.574 4.722 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001361162998 1066471499 /nfs/dbraw/zinc/47/14/99/1066471499.db2.gz JNHNYMDGUBDQBS-VXKWHMMOSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1ccc(C(=O)CC(C)(C)CC(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1 ZINC001444541380 1066473521 /nfs/dbraw/zinc/47/35/21/1066473521.db2.gz NVWHSJSUDPKFIL-UHFFFAOYSA-N 1 0 454.586 4.783 20 0 JJADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001444537251 1066473537 /nfs/dbraw/zinc/47/35/37/1066473537.db2.gz AXQGBIBHQQNHAJ-MRXNPFEDSA-N 1 0 459.612 4.576 20 0 JJADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1cnc(-c2ccccc2Cl)s1 ZINC001444541597 1066473556 /nfs/dbraw/zinc/47/35/56/1066473556.db2.gz PBHQSODVZMYJCM-UHFFFAOYSA-N 1 0 459.974 4.876 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC001444551423 1066474282 /nfs/dbraw/zinc/47/42/82/1066474282.db2.gz LWHRXFLHJZFKPY-LJQANCHMSA-N 1 0 454.521 4.662 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361164084 1066474974 /nfs/dbraw/zinc/47/49/74/1066474974.db2.gz UZOBPQCXWBLGOV-ROKPMTFOSA-N 1 0 493.668 4.639 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(Nc3cnn(C)c3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001361165887 1066477234 /nfs/dbraw/zinc/47/72/34/1066477234.db2.gz MWVCJUXWQSKQSH-UHFFFAOYSA-N 1 0 451.619 4.606 20 0 JJADRO Cc1ccc(-c2nc(CCn3c(CC(C)C)nnc3N3CCC[N@@H+](C(C)(C)C)CC3)co2)cc1 ZINC001361167306 1066479959 /nfs/dbraw/zinc/47/99/59/1066479959.db2.gz MSCOFTYZWXENSY-UHFFFAOYSA-N 1 0 464.658 4.993 20 0 JJADRO CC(C)[NH+]1CCN(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)CC1 ZINC001444609984 1066482160 /nfs/dbraw/zinc/48/21/60/1066482160.db2.gz CKZUWYSVNUEIKW-UHFFFAOYSA-N 1 0 457.484 4.714 20 0 JJADRO O=C(N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br)C12CC[NH+](CC1)C2 ZINC001444612514 1066482775 /nfs/dbraw/zinc/48/27/75/1066482775.db2.gz IWFCTRKBBHATSJ-IBGZPJMESA-N 1 0 451.767 4.737 20 0 JJADRO O=C(N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br)C12CC[NH+](CC1)C2 ZINC001444612517 1066482852 /nfs/dbraw/zinc/48/28/52/1066482852.db2.gz IWFCTRKBBHATSJ-LJQANCHMSA-N 1 0 451.767 4.737 20 0 JJADRO CC(C)(C)OC(=O)NCC1(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC001456033109 1066484057 /nfs/dbraw/zinc/48/40/57/1066484057.db2.gz YGSLGXPUSSPFFW-FQEVSTJZSA-N 1 0 450.023 4.506 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C[C@H]1C ZINC001444618912 1066484889 /nfs/dbraw/zinc/48/48/89/1066484889.db2.gz QSAJSBSTININAI-UKRRQHHQSA-N 1 0 456.427 4.514 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)o1 ZINC001361171504 1066487108 /nfs/dbraw/zinc/48/71/08/1066487108.db2.gz VMPHCRPFCPHCNV-FCHUYYIVSA-N 1 0 451.615 4.589 20 0 JJADRO O=C(/C=C/CCc1ccccc1)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC001444648447 1066487892 /nfs/dbraw/zinc/48/78/92/1066487892.db2.gz KFKIITPZPYPXBQ-WEVVVXLNSA-N 1 0 457.412 4.598 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)CC2)c1C ZINC001456041792 1066488761 /nfs/dbraw/zinc/48/87/61/1066488761.db2.gz WYSRFPKCQIEQOI-HFRGRHLUSA-N 1 0 459.675 4.607 20 0 JJADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)[C@@H](F)CC1CCCCC1 ZINC001444651950 1066488935 /nfs/dbraw/zinc/48/89/35/1066488935.db2.gz QVEVYUVANQBZMZ-NRFANRHFSA-N 1 0 455.412 4.717 20 0 JJADRO Cc1ccc(/C=C/CC(=O)NC2CC[NH+](CCOc3ccc(Br)cc3)CC2)cc1 ZINC001444651581 1066488955 /nfs/dbraw/zinc/48/89/55/1066488955.db2.gz PKPGQNIHAPTYSI-NSCUHMNNSA-N 1 0 457.412 4.820 20 0 JJADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660400 1066489290 /nfs/dbraw/zinc/48/92/90/1066489290.db2.gz DXVPDAGYRACGQO-ZJSXRUAMSA-N 1 0 454.586 4.756 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](CC(C)C)[NH+](C)C)cc1Br ZINC001361175433 1066492659 /nfs/dbraw/zinc/49/26/59/1066492659.db2.gz NCBBFUGDNXQYPS-INIZCTEOSA-N 1 0 476.385 4.991 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361175997 1066494554 /nfs/dbraw/zinc/49/45/54/1066494554.db2.gz ZWDGAYRYZJLPHY-ILWGZMRPSA-N 1 0 451.615 4.586 20 0 JJADRO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001456053324 1066494629 /nfs/dbraw/zinc/49/46/29/1066494629.db2.gz FQEXPBPDLRFZOF-FQEVSTJZSA-N 1 0 452.545 4.913 20 0 JJADRO Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc1 ZINC001456055398 1066495857 /nfs/dbraw/zinc/49/58/57/1066495857.db2.gz YDRRGZWWNFNDPR-VWLOTQADSA-N 1 0 459.615 4.781 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2CC2CC[NH+](CCN(C)C)CC2)o1 ZINC001361177435 1066495870 /nfs/dbraw/zinc/49/58/70/1066495870.db2.gz DNKGXNBBTPLCPN-UHFFFAOYSA-N 1 0 489.039 4.549 20 0 JJADRO COc1ccc(-c2nc(C)sc2CC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC001456055883 1066496090 /nfs/dbraw/zinc/49/60/90/1066496090.db2.gz JKUOJAWYKRJCEN-UHFFFAOYSA-N 1 0 458.027 4.913 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC001361177624 1066496541 /nfs/dbraw/zinc/49/65/41/1066496541.db2.gz KUOIALADGLNRMP-LJQANCHMSA-N 1 0 457.022 4.899 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)o1 ZINC001361177768 1066496973 /nfs/dbraw/zinc/49/69/73/1066496973.db2.gz QAJFZHNMYJJNMI-OAHLLOKOSA-N 1 0 458.404 4.728 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC001456058964 1066497960 /nfs/dbraw/zinc/49/79/60/1066497960.db2.gz VZBWZKGPMGJLQP-UHFFFAOYSA-N 1 0 450.892 4.749 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2CCC[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC001361178088 1066498118 /nfs/dbraw/zinc/49/81/18/1066498118.db2.gz ZRMWASOVOXTKTK-SFHVURJKSA-N 1 0 475.996 4.776 20 0 JJADRO O=C(c1cccnc1Br)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001456060656 1066498510 /nfs/dbraw/zinc/49/85/10/1066498510.db2.gz RXZDCRGKDGGKSW-UHFFFAOYSA-N 1 0 457.199 4.889 20 0 JJADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC001456060439 1066498558 /nfs/dbraw/zinc/49/85/58/1066498558.db2.gz VMCNARVDBSAKLC-CQSZACIVSA-N 1 0 457.771 4.599 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)o1 ZINC001361178244 1066498772 /nfs/dbraw/zinc/49/87/72/1066498772.db2.gz JLRJEFJEKSJYJS-LJQANCHMSA-N 1 0 475.996 4.512 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)o1 ZINC001361181297 1066502805 /nfs/dbraw/zinc/50/28/05/1066502805.db2.gz IRNVIEXXDLIUSG-NRFANRHFSA-N 1 0 451.619 4.517 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)o1 ZINC001361181299 1066502851 /nfs/dbraw/zinc/50/28/51/1066502851.db2.gz IRNVIEXXDLIUSG-OAQYLSRUSA-N 1 0 451.619 4.517 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361181338 1066502907 /nfs/dbraw/zinc/50/29/07/1066502907.db2.gz JTMJVAWEJKQGBU-SFHVURJKSA-N 1 0 482.032 4.780 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361181309 1066502968 /nfs/dbraw/zinc/50/29/68/1066502968.db2.gz IZUWTYIZFWVTND-GOSISDBHSA-N 1 0 450.612 4.850 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3Br)n2C[C@@H](C)[N@H+](C)C2CC2)o1 ZINC001361181424 1066503251 /nfs/dbraw/zinc/50/32/51/1066503251.db2.gz VXUWYWSDWTUCAQ-OAHLLOKOSA-N 1 0 458.404 4.728 20 0 JJADRO Cc1cc2c(c(F)c1)C[C@@H](C(=O)NC1CC[NH+](C3CCCCC3)CC1)N2C(=O)OC(C)(C)C ZINC001361182379 1066504650 /nfs/dbraw/zinc/50/46/50/1066504650.db2.gz WEHGMOGQQCYJEC-QHCPKHFHSA-N 1 0 459.606 4.714 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC001361181867 1066504778 /nfs/dbraw/zinc/50/47/78/1066504778.db2.gz ZDEDWMMQYMRUPM-MRXNPFEDSA-N 1 0 489.487 4.841 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H](C)CCSC)[NH+]1CCCC1 ZINC001545969324 1066505190 /nfs/dbraw/zinc/50/51/90/1066505190.db2.gz VYHWABOEUOGRDB-CTNGQTDRSA-N 1 0 452.672 4.946 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC(C)(C)C[NH+](C)C)cc1Br ZINC001361183254 1066505621 /nfs/dbraw/zinc/50/56/21/1066505621.db2.gz HZMJDYRJWLFAGU-LJQANCHMSA-N 1 0 478.479 4.609 20 0 JJADRO O=C(c1sc(N2CCCC2)nc1Cl)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001456080678 1066505540 /nfs/dbraw/zinc/50/55/40/1066505540.db2.gz ZUWGMWUBPOERBA-UHFFFAOYSA-N 1 0 453.439 4.788 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001546079454 1066510326 /nfs/dbraw/zinc/51/03/26/1066510326.db2.gz MSDUCMDLEYBESA-QFQXNSOFSA-N 1 0 455.647 4.613 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC001361187118 1066510940 /nfs/dbraw/zinc/51/09/40/1066510940.db2.gz GEEARTXINSJZSA-NHCUHLMSSA-N 1 0 457.663 4.858 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001361187267 1066511615 /nfs/dbraw/zinc/51/16/15/1066511615.db2.gz LCBWHFDWOOAVEI-HDICACEKSA-N 1 0 456.660 4.738 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC001361187268 1066511664 /nfs/dbraw/zinc/51/16/64/1066511664.db2.gz LCBWHFDWOOAVEI-QZTJIDSGSA-N 1 0 456.660 4.738 20 0 JJADRO COc1ccc(Br)cc1-c1ncc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC001444853125 1066512608 /nfs/dbraw/zinc/51/26/08/1066512608.db2.gz PERCNVHYMFZFAU-OAHLLOKOSA-N 1 0 452.418 4.528 20 0 JJADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC001444854527 1066513745 /nfs/dbraw/zinc/51/37/45/1066513745.db2.gz ZZKMFDKHCAXSMS-RPWUZVMVSA-N 1 0 451.611 4.856 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2CCC[NH+]2CCC(C)CC2)o1 ZINC001361188437 1066514243 /nfs/dbraw/zinc/51/42/43/1066514243.db2.gz SNPJRRJRCIMLJC-UHFFFAOYSA-N 1 0 450.631 4.541 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3C)n2CC[N@H+](C)C2CCCCC2)o1 ZINC001361190207 1066515704 /nfs/dbraw/zinc/51/57/04/1066515704.db2.gz FRFAPSAVNOORNE-UHFFFAOYSA-N 1 0 451.615 4.935 20 0 JJADRO C[C@@H]1CCN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001444902963 1066517518 /nfs/dbraw/zinc/51/75/18/1066517518.db2.gz GYGCNQWHBKAZEN-MRCUYLHHSA-N 1 0 455.643 4.679 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001546079876 1066517768 /nfs/dbraw/zinc/51/77/68/1066517768.db2.gz VYWHLBJROQFIOZ-DQEYMECFSA-N 1 0 457.688 4.538 20 0 JJADRO Cc1ccc(-c2nnc(N(CC3CC3)CC3CCC3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001361191543 1066518795 /nfs/dbraw/zinc/51/87/95/1066518795.db2.gz XLPYPFGFTATVIH-KRWDZBQOSA-N 1 0 460.464 4.983 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1cccc(Br)c1N)Cc1ccccc1 ZINC001444950569 1066521506 /nfs/dbraw/zinc/52/15/06/1066521506.db2.gz KKWVDLACKASBGV-UHFFFAOYSA-N 1 0 452.396 4.806 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](c4ccccc4)C3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001361196041 1066523577 /nfs/dbraw/zinc/52/35/77/1066523577.db2.gz JIPHAPRYWMVOQI-ZJSXRUAMSA-N 1 0 451.615 4.932 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC[N@H+](C)C2CCCCC2)cc1Br ZINC001361196057 1066523616 /nfs/dbraw/zinc/52/36/16/1066523616.db2.gz JMQMDBXIWFDFDJ-RTBURBONSA-N 1 0 490.490 4.894 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001361196232 1066523979 /nfs/dbraw/zinc/52/39/79/1066523979.db2.gz MESZAINUYBGGSS-ZIFCJYIRSA-N 1 0 460.464 4.983 20 0 JJADRO CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCCC1 ZINC001545971301 1066527984 /nfs/dbraw/zinc/52/79/84/1066527984.db2.gz VBZKITIVACYOKK-HXUWFJFHSA-N 1 0 469.431 4.613 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CC[NH+]2CCSCC2)cc1Br ZINC001361200085 1066529495 /nfs/dbraw/zinc/52/94/95/1066529495.db2.gz NEBRKXRLNKYELB-UHFFFAOYSA-N 1 0 492.531 4.937 20 0 JJADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccccc3NC(=O)OC(C)(C)C)cc2)C1 ZINC001445043966 1066532968 /nfs/dbraw/zinc/53/29/68/1066532968.db2.gz IPKMQGXHTWGIFU-LJQANCHMSA-N 1 0 453.583 4.935 20 0 JJADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccccc3NC(=O)OC(C)(C)C)cc2)C1 ZINC001445043950 1066533046 /nfs/dbraw/zinc/53/30/46/1066533046.db2.gz IPKMQGXHTWGIFU-IBGZPJMESA-N 1 0 453.583 4.935 20 0 JJADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc4c(Br)cccc4cn3)cc2)C1 ZINC001445047983 1066533214 /nfs/dbraw/zinc/53/32/14/1066533214.db2.gz NFAXYICGMLTEOR-MRXNPFEDSA-N 1 0 454.368 4.970 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](CC(C)C)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC001361203969 1066534106 /nfs/dbraw/zinc/53/41/06/1066534106.db2.gz HQEKLTZZBVWYAN-QFIPXVFZSA-N 1 0 451.615 4.708 20 0 JJADRO CCc1c(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cnn1-c1ccccc1Cl ZINC001456197280 1066534769 /nfs/dbraw/zinc/53/47/69/1066534769.db2.gz PDIZNQGFFNMXIK-UHFFFAOYSA-N 1 0 459.034 4.632 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001361209406 1066542672 /nfs/dbraw/zinc/54/26/72/1066542672.db2.gz WKAVXOUOEBTOPS-FGZHOGPDSA-N 1 0 455.578 4.540 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361210323 1066543843 /nfs/dbraw/zinc/54/38/43/1066543843.db2.gz HKXGNKFEXCMCAT-FQEVSTJZSA-N 1 0 467.589 4.673 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](C)CC3)n2CC2([NH+](C)C)CCOCC2)cc1Br ZINC001361213482 1066548258 /nfs/dbraw/zinc/54/82/58/1066548258.db2.gz XXWWHPNTFBULMG-GOSISDBHSA-N 1 0 490.490 4.753 20 0 JJADRO CC(C)C1CCC([NH+]2CCN(C(=O)C(C)(C)Oc3ccc(Br)cc3)CC2)CC1 ZINC001445265886 1066550127 /nfs/dbraw/zinc/55/01/27/1066550127.db2.gz ABPZXASNPJCXCH-UHFFFAOYSA-N 1 0 451.449 4.966 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC001361214245 1066550085 /nfs/dbraw/zinc/55/00/85/1066550085.db2.gz LEUBHQGLBFIXBM-GMAHTHKFSA-N 1 0 498.716 4.737 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001361214905 1066552175 /nfs/dbraw/zinc/55/21/75/1066552175.db2.gz ZUBARQBTEQVGIQ-GOSISDBHSA-N 1 0 479.551 4.634 20 0 JJADRO CC(C)(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001445283545 1066552853 /nfs/dbraw/zinc/55/28/53/1066552853.db2.gz AUWUSHAJERFTEJ-AREMUKBSSA-N 1 0 450.623 4.848 20 0 JJADRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)CC1 ZINC001445286731 1066553729 /nfs/dbraw/zinc/55/37/29/1066553729.db2.gz CCJXHERZTVEXQS-UHFFFAOYSA-N 1 0 452.451 4.900 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCOCC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1Br ZINC001361218171 1066554073 /nfs/dbraw/zinc/55/40/73/1066554073.db2.gz OINLXBIPMNWUII-QFIPXVFZSA-N 1 0 490.490 4.753 20 0 JJADRO COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C[NH+](C)C)ccc3C)CC2)c2ccccc12 ZINC001445294602 1066555381 /nfs/dbraw/zinc/55/53/81/1066555381.db2.gz SJGFQRJEYZDYCX-UHFFFAOYSA-N 1 0 459.590 4.709 20 0 JJADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)C1 ZINC001445296254 1066556085 /nfs/dbraw/zinc/55/60/85/1066556085.db2.gz JBOCIELWBKGRRP-FQEVSTJZSA-N 1 0 457.412 4.832 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)[C@@H](C)C1 ZINC001456298158 1066557422 /nfs/dbraw/zinc/55/74/22/1066557422.db2.gz FYBYDWHQPKBXBX-OXJNMPFZSA-N 1 0 454.011 4.554 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@@H](C)C1 ZINC001456300297 1066557844 /nfs/dbraw/zinc/55/78/44/1066557844.db2.gz JTHGLMOOMOVXQC-YOEHRIQHSA-N 1 0 456.439 4.984 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2cc(Br)ccc2F)o1 ZINC001361220798 1066558453 /nfs/dbraw/zinc/55/84/53/1066558453.db2.gz DUDPJIPDZQUYCJ-UHFFFAOYSA-N 1 0 490.421 4.911 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC001361221356 1066560044 /nfs/dbraw/zinc/56/00/44/1066560044.db2.gz WORACSWVFFXTKW-RTBURBONSA-N 1 0 490.490 4.750 20 0 JJADRO Cc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)sc1-c1ccc(F)cc1 ZINC001456314361 1066561128 /nfs/dbraw/zinc/56/11/28/1066561128.db2.gz BXKSUFKKLOAEQJ-UHFFFAOYSA-N 1 0 451.567 4.941 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC(C)(C)C(C)C)o1 ZINC001361225470 1066564084 /nfs/dbraw/zinc/56/40/84/1066564084.db2.gz BHFZXQUPNCJWOK-UHFFFAOYSA-N 1 0 471.568 4.620 20 0 JJADRO CSc1cccc(N(C(=O)Cc2cc(F)ccc2Br)C2CC[NH+](C)CC2)c1 ZINC001456339605 1066565254 /nfs/dbraw/zinc/56/52/54/1066565254.db2.gz OKYGPCPTUPPZJL-UHFFFAOYSA-N 1 0 451.405 4.980 20 0 JJADRO Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CC[NH+]2CCCCCC2)cc1Br ZINC001361227271 1066565630 /nfs/dbraw/zinc/56/56/30/1066565630.db2.gz JMTHOQRKZPCDAQ-UHFFFAOYSA-N 1 0 476.463 4.507 20 0 JJADRO C[S@@](=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001456345414 1066566270 /nfs/dbraw/zinc/56/62/70/1066566270.db2.gz XOYRBKFUOBWRQP-BKZGZDJESA-N 1 0 453.007 4.932 20 0 JJADRO Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@@H](c2cccs2)[NH+](C)C)cc1Br ZINC001361229336 1066568715 /nfs/dbraw/zinc/56/87/15/1066568715.db2.gz PZBTZKQIIKKRHP-LPHOPBHVSA-N 1 0 490.471 4.606 20 0 JJADRO C[NH+](C)[C@@H](CC(=O)N1CC(C)(C)[C@H]1c1nccn1COCC[Si](C)(C)C)c1ccccc1 ZINC001456359810 1066569822 /nfs/dbraw/zinc/56/98/22/1066569822.db2.gz NPPSNNKKOFDDND-JTHBVZDNSA-N 1 0 456.707 4.798 20 0 JJADRO Cc1ccc(-c2nnc(N3CCSCC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1Br ZINC001361230747 1066570100 /nfs/dbraw/zinc/57/01/00/1066570100.db2.gz BGZZUGOCHCMMIB-GOSISDBHSA-N 1 0 466.493 4.546 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCCCC2)cc1Br ZINC001361232815 1066573728 /nfs/dbraw/zinc/57/37/28/1066573728.db2.gz YZDBHRSCZZSMGT-KDURUIRLSA-N 1 0 476.463 4.506 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1Br ZINC001361232803 1066573785 /nfs/dbraw/zinc/57/37/85/1066573785.db2.gz YOWCQTKDHVLOHA-MNEFBYGVSA-N 1 0 476.394 4.706 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001361235282 1066575458 /nfs/dbraw/zinc/57/54/58/1066575458.db2.gz UDHKWONCEBDVMK-JEYPMZLKSA-N 1 0 466.674 4.577 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001361235573 1066575780 /nfs/dbraw/zinc/57/57/80/1066575780.db2.gz XFMPKFCAYFHOKD-PNIUZAESSA-N 1 0 483.701 4.945 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc(COc3ccccc3F)n2CCC[N@@H+](C)C(C)C)o1 ZINC001361236010 1066576168 /nfs/dbraw/zinc/57/61/68/1066576168.db2.gz CFUIXHWEIFJUOC-OAQYLSRUSA-N 1 0 455.578 4.969 20 0 JJADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)cc1 ZINC001445485462 1066576360 /nfs/dbraw/zinc/57/63/60/1066576360.db2.gz SFTFTQSYAXAQFG-UHFFFAOYSA-N 1 0 450.501 4.621 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)Oc1ccccc1F ZINC001545975642 1066576371 /nfs/dbraw/zinc/57/63/71/1066576371.db2.gz WCGZCWFDYVASNR-IBGZPJMESA-N 1 0 454.594 4.581 20 0 JJADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1(c2cc(F)cc(F)c2)CCCC1 ZINC001445511688 1066578585 /nfs/dbraw/zinc/57/85/85/1066578585.db2.gz IHDJUNWPNXTUFU-UHFFFAOYSA-N 1 0 456.577 4.964 20 0 JJADRO COCCc1ccc(OCCCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001445523108 1066580940 /nfs/dbraw/zinc/58/09/40/1066580940.db2.gz JHPWFTOLDCWVOI-AHKZPQOWSA-N 1 0 450.623 4.548 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001445525131 1066581876 /nfs/dbraw/zinc/58/18/76/1066581876.db2.gz OYHGPWDFBYOVBC-RBZQAINGSA-N 1 0 455.643 4.537 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445529653 1066583188 /nfs/dbraw/zinc/58/31/88/1066583188.db2.gz WNOOCEWUHVALCQ-ONTLXTELSA-N 1 0 455.643 4.535 20 0 JJADRO Cc1ccccc1COc1ccccc1C(=O)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001456433081 1066584478 /nfs/dbraw/zinc/58/44/78/1066584478.db2.gz KYLBWAXCQYGMLA-UHFFFAOYSA-N 1 0 458.602 4.939 20 0 JJADRO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001361242895 1066584616 /nfs/dbraw/zinc/58/46/16/1066584616.db2.gz RDYGXAFCEJRLKA-FGZHOGPDSA-N 1 0 477.630 4.703 20 0 JJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 ZINC001456437876 1066585767 /nfs/dbraw/zinc/58/57/67/1066585767.db2.gz BDVMZEKQJJLVPR-KRWDZBQOSA-N 1 0 459.512 4.788 20 0 JJADRO Cc1ccc(CCn2c(N3CC[NH+](CCC(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245422 1066587056 /nfs/dbraw/zinc/58/70/56/1066587056.db2.gz OJQBHBPSEJXCIX-GDLZYMKVSA-N 1 0 497.728 4.736 20 0 JJADRO COc1cc(C(=O)Nc2ccc3c[nH+]cn3c2)ccc1OCc1ccc(Br)s1 ZINC001456447512 1066588982 /nfs/dbraw/zinc/58/89/82/1066588982.db2.gz NVOKKZXEQQBTSG-UHFFFAOYSA-N 1 0 458.337 4.998 20 0 JJADRO CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001445568718 1066589045 /nfs/dbraw/zinc/58/90/45/1066589045.db2.gz PIHMKVRMBNVUJS-UHFFFAOYSA-N 1 0 459.594 4.612 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCCC2)o1 ZINC001361249797 1066594060 /nfs/dbraw/zinc/59/40/60/1066594060.db2.gz GAAKRDLRGYYARU-UHFFFAOYSA-N 1 0 464.433 4.793 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361250031 1066595592 /nfs/dbraw/zinc/59/55/92/1066595592.db2.gz OGURQSOENMWFBO-HZPDHXFCSA-N 1 0 475.435 4.694 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCCC[N@H+]2CCCC[C@H]2C)s1 ZINC001361258110 1066607138 /nfs/dbraw/zinc/60/71/38/1066607138.db2.gz ONOVXJYIZNMBRZ-HXUWFJFHSA-N 1 0 452.672 4.925 20 0 JJADRO CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC001445705287 1066607495 /nfs/dbraw/zinc/60/74/95/1066607495.db2.gz UNMWRCPGSIKTSM-SIKLNZKXSA-N 1 0 454.590 4.789 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)s1 ZINC001361258298 1066607636 /nfs/dbraw/zinc/60/76/36/1066607636.db2.gz RRGPYGUOTYWHIJ-DEOSSOPVSA-N 1 0 455.697 4.621 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512566 1066607597 /nfs/dbraw/zinc/60/75/97/1066607597.db2.gz XOQKWAQVDQHRTF-NFBKMPQASA-N 1 0 456.428 4.507 20 0 JJADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC001445705281 1066607609 /nfs/dbraw/zinc/60/76/09/1066607609.db2.gz UNMWRCPGSIKTSM-KNQAVFIVSA-N 1 0 454.590 4.789 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546082974 1066609088 /nfs/dbraw/zinc/60/90/88/1066609088.db2.gz HBSZMHBSJYZBIB-OREGWCPLSA-N 1 0 487.664 4.931 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361260960 1066610932 /nfs/dbraw/zinc/61/09/32/1066610932.db2.gz BWSZVOAUXXQDOU-RTBURBONSA-N 1 0 455.578 4.654 20 0 JJADRO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C)c1 ZINC001361263617 1066616548 /nfs/dbraw/zinc/61/65/48/1066616548.db2.gz GXOYRJOFHGWLSK-HSZRJFAPSA-N 1 0 480.701 4.562 20 0 JJADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001445790306 1066618088 /nfs/dbraw/zinc/61/80/88/1066618088.db2.gz RWMMBGFNZFLDIQ-XVGQJIODSA-N 1 0 456.414 4.500 20 0 JJADRO C[C@@]1(NC(=O)c2ccc(N)c(OC(F)(F)F)c2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456548431 1066622646 /nfs/dbraw/zinc/62/26/46/1066622646.db2.gz MVCACMGTDBYGMH-SQJMNOBHSA-N 1 0 469.507 4.956 20 0 JJADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)[C@H](O)c1cccc(F)c1 ZINC001445827490 1066623749 /nfs/dbraw/zinc/62/37/49/1066623749.db2.gz VQQXGKQMIRVXNO-JPTIVFSVSA-N 1 0 466.984 4.933 20 0 JJADRO Cn1ccnc1[C@H](CC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(F)(F)F ZINC001456554608 1066624374 /nfs/dbraw/zinc/62/43/74/1066624374.db2.gz UPNMPENYPBDWTA-WRALFONMSA-N 1 0 470.539 4.631 20 0 JJADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1nc(Br)sc1C1CC1 ZINC001445897843 1066632559 /nfs/dbraw/zinc/63/25/59/1066632559.db2.gz QLYGEZATPPOJCI-UHFFFAOYSA-N 1 0 450.402 4.900 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1nc(Br)ccc1F)Cc1ccccc1 ZINC001361279736 1066636787 /nfs/dbraw/zinc/63/67/87/1066636787.db2.gz ZYIMIDOGLTYMGM-UHFFFAOYSA-N 1 0 456.359 4.758 20 0 JJADRO Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)c(OCC(F)(F)F)c1 ZINC001361286365 1066645137 /nfs/dbraw/zinc/64/51/37/1066645137.db2.gz QCDNLUUBVHYGPX-UHFFFAOYSA-N 1 0 467.580 4.741 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492598633 1066647786 /nfs/dbraw/zinc/64/77/86/1066647786.db2.gz NJBAKDDKTKEBIP-GMKZXUHWSA-N 1 0 469.674 4.506 20 0 JJADRO CCC(CC)(C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(OC)c(OC)c1 ZINC001446031663 1066648697 /nfs/dbraw/zinc/64/86/97/1066648697.db2.gz HCGZRBHCDIICRN-UHFFFAOYSA-N 1 0 454.611 4.605 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492598862 1066649039 /nfs/dbraw/zinc/64/90/39/1066649039.db2.gz QKHBAGKSXFHWEB-DEOSSOPVSA-N 1 0 462.642 4.674 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(-c2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001492598864 1066649057 /nfs/dbraw/zinc/64/90/57/1066649057.db2.gz QKHBAGKSXFHWEB-XMMPIXPASA-N 1 0 462.642 4.674 20 0 JJADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492601495 1066655847 /nfs/dbraw/zinc/65/58/47/1066655847.db2.gz DIKDIRJJZVIGPW-AOHZBQACSA-N 1 0 483.701 4.752 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1(C)C ZINC001456652494 1066659408 /nfs/dbraw/zinc/65/94/08/1066659408.db2.gz ZNCMENCIUPXTIV-JBXUNAHCSA-N 1 0 477.649 4.710 20 0 JJADRO CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546084140 1066659475 /nfs/dbraw/zinc/65/94/75/1066659475.db2.gz YMJQZBGRWUQZKE-CPJSRVTESA-N 1 0 476.065 4.809 20 0 JJADRO Cc1ccc(-n2ncc(C(=O)Nc3ccc4ccn(CC[NH+](C)C)c4c3)c2C(F)(F)F)cc1 ZINC001456674185 1066664428 /nfs/dbraw/zinc/66/44/28/1066664428.db2.gz RLVPLFAJDFMTJP-UHFFFAOYSA-N 1 0 455.484 4.968 20 0 JJADRO Cc1ccc(NC(=O)c2nnc(N3CCC=C(C)C3)n2CCCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001492607631 1066666479 /nfs/dbraw/zinc/66/64/79/1066666479.db2.gz BTTGAUMNTPLUFH-HSZRJFAPSA-N 1 0 464.658 4.958 20 0 JJADRO CC[C@H](Cn1c(C2CC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545982191 1066668780 /nfs/dbraw/zinc/66/87/80/1066668780.db2.gz IMGZHDYZOQYLNL-JOCHJYFZSA-N 1 0 474.694 4.503 20 0 JJADRO CC1=CCCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001492609212 1066670509 /nfs/dbraw/zinc/67/05/09/1066670509.db2.gz OSVWBJOETKFAIH-RTBURBONSA-N 1 0 488.474 4.752 20 0 JJADRO C[N@@H+]1CC[C@H](NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001446193861 1066673384 /nfs/dbraw/zinc/67/33/84/1066673384.db2.gz IUXMFSNIOPPFHT-FIXSFTCYSA-N 1 0 453.558 4.569 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC=C(C)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492612368 1066674180 /nfs/dbraw/zinc/67/41/80/1066674180.db2.gz DDNHWKYCZQFEJA-FQEVSTJZSA-N 1 0 450.656 4.701 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492613550 1066676220 /nfs/dbraw/zinc/67/62/20/1066676220.db2.gz YVCIRZVBTAGXGU-XMMPIXPASA-N 1 0 481.685 4.802 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC001446259332 1066680188 /nfs/dbraw/zinc/68/01/88/1066680188.db2.gz NQSIOBQCUVCEAC-VVEXGRLFSA-N 1 0 455.643 4.607 20 0 JJADRO CC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001492616315 1066683919 /nfs/dbraw/zinc/68/39/19/1066683919.db2.gz UKEYPUQNYRMVRW-UHFFFAOYSA-N 1 0 464.441 4.644 20 0 JJADRO CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001492619857 1066688042 /nfs/dbraw/zinc/68/80/42/1066688042.db2.gz MBHSTFYGGAGAFY-NRFANRHFSA-N 1 0 488.474 4.896 20 0 JJADRO CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001545984395 1066689603 /nfs/dbraw/zinc/68/96/03/1066689603.db2.gz JKDGINCLXLPSHH-YADHBBJMSA-N 1 0 474.694 4.646 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(Cl)c(Br)c1 ZINC001446320063 1066689623 /nfs/dbraw/zinc/68/96/23/1066689623.db2.gz ARNPTSXESZPPRE-KRWDZBQOSA-N 1 0 451.792 4.935 20 0 JJADRO Cc1cnn([C@@H]2CCCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001492620414 1066689854 /nfs/dbraw/zinc/68/98/54/1066689854.db2.gz FHRDEDHOMODLFV-QPTUXGOLSA-N 1 0 497.663 4.880 20 0 JJADRO CCC[C@H]1CN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001446349533 1066694991 /nfs/dbraw/zinc/69/49/91/1066694991.db2.gz MXLRZFBQVSMPQP-QFIPXVFZSA-N 1 0 451.586 4.866 20 0 JJADRO Cc1cnn(CC2CCN(c3nnc(C(C)C)n3Cc3ccccc3C[N@@H+](C)C(C)C)CC2)c1 ZINC001492623102 1066695448 /nfs/dbraw/zinc/69/54/48/1066695448.db2.gz WZEXMIAAOVDIFL-UHFFFAOYSA-N 1 0 463.674 4.712 20 0 JJADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC001456816212 1066700063 /nfs/dbraw/zinc/70/00/63/1066700063.db2.gz FCMFQHIBFUFXHU-UXHICEINSA-N 1 0 453.974 4.713 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)C1 ZINC001446511946 1066712957 /nfs/dbraw/zinc/71/29/57/1066712957.db2.gz VTLUBZFGLFUZLC-QFIPXVFZSA-N 1 0 459.700 4.573 20 0 JJADRO CC(C)(C)C(=O)NCCCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446527640 1066715997 /nfs/dbraw/zinc/71/59/97/1066715997.db2.gz LFHGCTFGEWHNEO-XMMPIXPASA-N 1 0 456.030 4.516 20 0 JJADRO C[N@@H+]1CCN(C(=O)Cc2csc(-c3sccc3Br)n2)C2(CCCCC2)C1 ZINC001456911147 1066719422 /nfs/dbraw/zinc/71/94/22/1066719422.db2.gz JXAPYLCDCYVZFQ-UHFFFAOYSA-N 1 0 454.459 4.654 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001456936545 1066725902 /nfs/dbraw/zinc/72/59/02/1066725902.db2.gz JGMXOWWLMUDZJF-ZEQRLZLVSA-N 1 0 457.659 4.831 20 0 JJADRO Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CCO2)n1 ZINC001492640832 1066732836 /nfs/dbraw/zinc/73/28/36/1066732836.db2.gz FADSRHYENIYQJC-SVFBPWRDSA-N 1 0 488.746 4.966 20 0 JJADRO Cc1csc([C@H]2CN(c3nnc(-c4ccccc4C)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)n1 ZINC001492640989 1066733368 /nfs/dbraw/zinc/73/33/68/1066733368.db2.gz IGOQIFLCJHZMJC-RBBKRZOGSA-N 1 0 468.671 4.573 20 0 JJADRO O=C(c1cc2sc(Br)cc2s1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001446713438 1066733650 /nfs/dbraw/zinc/73/36/50/1066733650.db2.gz MIGJHUIJRKXDAC-UHFFFAOYSA-N 1 0 457.459 4.690 20 0 JJADRO Cc1csc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C2)n1 ZINC001492641604 1066734855 /nfs/dbraw/zinc/73/48/55/1066734855.db2.gz HOGVRQFIJKDWMR-PCCBWWKXSA-N 1 0 488.746 4.903 20 0 JJADRO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981183 1066735028 /nfs/dbraw/zinc/73/50/28/1066735028.db2.gz DNGYSRKTCMUXSO-GBESFXJTSA-N 1 0 452.467 4.981 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1)CC(C)C ZINC001446742963 1066735169 /nfs/dbraw/zinc/73/51/69/1066735169.db2.gz MOUNCZZBHSNZMK-HXUWFJFHSA-N 1 0 451.449 4.922 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001546085929 1066735335 /nfs/dbraw/zinc/73/53/35/1066735335.db2.gz VLIGMGFWXPOJKS-HFZDXXHNSA-N 1 0 455.647 4.614 20 0 JJADRO COc1ccc(Cl)cc1CC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456982637 1066735520 /nfs/dbraw/zinc/73/55/20/1066735520.db2.gz JQVTYYXPCCFERB-GOSISDBHSA-N 1 0 454.920 4.804 20 0 JJADRO Cc1csc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)n1 ZINC001492642344 1066735836 /nfs/dbraw/zinc/73/58/36/1066735836.db2.gz NUWLCXBNVQDPOD-DUXKGJEZSA-N 1 0 474.719 4.732 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)CC(C)C ZINC001446762869 1066736750 /nfs/dbraw/zinc/73/67/50/1066736750.db2.gz JVTNPOZUCHEEGX-DEOSSOPVSA-N 1 0 459.675 4.729 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1)CC1CC1 ZINC001446782704 1066738631 /nfs/dbraw/zinc/73/86/31/1066738631.db2.gz UCKSDMFWJXBBEL-UHFFFAOYSA-N 1 0 456.030 4.524 20 0 JJADRO Cc1csc(CCCCn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC001492643802 1066740113 /nfs/dbraw/zinc/74/01/13/1066740113.db2.gz QZERQSJWPJBIPL-JOCHJYFZSA-N 1 0 474.719 4.864 20 0 JJADRO Cc1csc(CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC001492645023 1066744830 /nfs/dbraw/zinc/74/48/30/1066744830.db2.gz IGVXWJDGBYZDRY-UHFFFAOYSA-N 1 0 467.683 4.587 20 0 JJADRO CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@H](C)C1)[NH+]1CCCC1 ZINC001545989837 1066744946 /nfs/dbraw/zinc/74/49/46/1066744946.db2.gz LELDPSQOPUCAQR-JTHBVZDNSA-N 1 0 488.721 4.893 20 0 JJADRO O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)c1ccoc1Br ZINC001446824527 1066745082 /nfs/dbraw/zinc/74/50/82/1066745082.db2.gz NTRVWEJWSJWRJM-UHFFFAOYSA-N 1 0 454.368 4.659 20 0 JJADRO CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C)[NH+]1CCCC1 ZINC001545990378 1066750519 /nfs/dbraw/zinc/75/05/19/1066750519.db2.gz RRNBEBHLMAFJQH-QNWVGRARSA-N 1 0 488.721 4.892 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001492647041 1066750951 /nfs/dbraw/zinc/75/09/51/1066750951.db2.gz DLHBAEOJAPBQTN-PMACEKPBSA-N 1 0 452.672 4.638 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492647138 1066751079 /nfs/dbraw/zinc/75/10/79/1066751079.db2.gz FXSATUDTNFUOAD-KDURUIRLSA-N 1 0 489.636 4.653 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001492647338 1066751439 /nfs/dbraw/zinc/75/14/39/1066751439.db2.gz JSKACTPCVKMBAL-QHCPKHFHSA-N 1 0 464.614 4.712 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001492647337 1066751500 /nfs/dbraw/zinc/75/15/00/1066751500.db2.gz JSKACTPCVKMBAL-HSZRJFAPSA-N 1 0 464.614 4.712 20 0 JJADRO Cc1csc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001492648047 1066752912 /nfs/dbraw/zinc/75/29/12/1066752912.db2.gz HYSYPZQISVHSKS-HSZRJFAPSA-N 1 0 481.645 4.588 20 0 JJADRO Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001492648475 1066754476 /nfs/dbraw/zinc/75/44/76/1066754476.db2.gz XOQFTJLSKWTQEZ-OAQYLSRUSA-N 1 0 494.690 4.579 20 0 JJADRO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001446907283 1066755293 /nfs/dbraw/zinc/75/52/93/1066755293.db2.gz XGFZHLLIQZMKMI-RTWAWAEBSA-N 1 0 451.611 4.789 20 0 JJADRO COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001446952519 1066758027 /nfs/dbraw/zinc/75/80/27/1066758027.db2.gz BGWUEJDYRUEOQT-UODIDJSMSA-N 1 0 462.634 4.648 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001546087276 1066761334 /nfs/dbraw/zinc/76/13/34/1066761334.db2.gz JGEUJQSOSVBLCI-HSZRJFAPSA-N 1 0 494.453 4.584 20 0 JJADRO Cc1cscc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001492653746 1066762257 /nfs/dbraw/zinc/76/22/57/1066762257.db2.gz GHVGXBSEASSHDL-UHFFFAOYSA-N 1 0 460.047 4.564 20 0 JJADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccccc2NC(=O)OCc2ccccc2)CC1 ZINC001545991592 1066764431 /nfs/dbraw/zinc/76/44/31/1066764431.db2.gz UKXQUWMECYJRRE-HXUWFJFHSA-N 1 0 458.562 4.786 20 0 JJADRO Cc1nc(C)c(CCn2c(-c3ccccc3F)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC001492654998 1066765246 /nfs/dbraw/zinc/76/52/46/1066765246.db2.gz KDHNDCNTLLGCIW-UHFFFAOYSA-N 1 0 456.635 4.711 20 0 JJADRO Cc1nc(C)c(CCn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001492656888 1066770051 /nfs/dbraw/zinc/77/00/51/1066770051.db2.gz OVNDCSLJGNCPMY-JOCHJYFZSA-N 1 0 452.672 4.503 20 0 JJADRO Cc1nc(C)c(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)s1 ZINC001492659597 1066776216 /nfs/dbraw/zinc/77/62/16/1066776216.db2.gz GHFRZBLNHCTXGS-UHFFFAOYSA-N 1 0 459.063 4.564 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2CC[NH+]2CCCCCC2)cs1 ZINC001492661213 1066780262 /nfs/dbraw/zinc/78/02/62/1066780262.db2.gz GEKDZLNIMIVLSZ-HXUWFJFHSA-N 1 0 482.698 4.673 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2C[C@H](C)C[NH+]2CCCC2)cs1 ZINC001492661476 1066780815 /nfs/dbraw/zinc/78/08/15/1066780815.db2.gz ISJHJADSVNTFRJ-IAGOWNOFSA-N 1 0 474.625 4.841 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CCC[NH+]2CCCC2)cs1 ZINC001492661818 1066781207 /nfs/dbraw/zinc/78/12/07/1066781207.db2.gz NKFIGFLKPIFFFY-MRXNPFEDSA-N 1 0 460.598 4.595 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492662137 1066781697 /nfs/dbraw/zinc/78/16/97/1066781697.db2.gz PMCLLRBUVHCITB-ZHRRBRCNSA-N 1 0 482.679 4.901 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@H](c2ccco2)[NH+](C)C)cs1 ZINC001492662880 1066782959 /nfs/dbraw/zinc/78/29/59/1066782959.db2.gz ZDLWSPXOYJJWGP-YJBOKZPZSA-N 1 0 456.641 4.789 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@H](C)c3ccccc3)n2CC(C)(C)C[NH+]2CCCC2)cs1 ZINC001492664462 1066784908 /nfs/dbraw/zinc/78/49/08/1066784908.db2.gz KFGNCZXQUNMCPE-FQEVSTJZSA-N 1 0 466.699 4.996 20 0 JJADRO CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001447300269 1066788863 /nfs/dbraw/zinc/78/88/63/1066788863.db2.gz BRPXYZDXPMJELO-SFTDATJTSA-N 1 0 451.442 4.884 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cs1 ZINC001492666090 1066789332 /nfs/dbraw/zinc/78/93/32/1066789332.db2.gz GTPVABFDPKILPS-WAIKUNEKSA-N 1 0 473.716 4.546 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2CC2([NH+](C)C)CCC2)cs1 ZINC001492666441 1066791457 /nfs/dbraw/zinc/79/14/57/1066791457.db2.gz UGCSGEWWMRKYAZ-UHFFFAOYSA-N 1 0 496.578 4.912 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cs1 ZINC001492666411 1066791582 /nfs/dbraw/zinc/79/15/82/1066791582.db2.gz SGUWMOGJZIYISU-LJQANCHMSA-N 1 0 488.652 4.916 20 0 JJADRO CCOC(=O)c1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)o1 ZINC001457222386 1066793695 /nfs/dbraw/zinc/79/36/95/1066793695.db2.gz JHEKCENKUKXCGP-XZOQPEGZSA-N 1 0 466.965 4.642 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCc3ccccc3F)n2C[C@@H](c2cccs2)[NH+](C)C)cs1 ZINC001492668166 1066795362 /nfs/dbraw/zinc/79/53/62/1066795362.db2.gz AEKZAKOQRGRGJJ-NRFANRHFSA-N 1 0 484.670 4.816 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@H](c2ccco2)[NH+](C)C)cs1 ZINC001492670441 1066799989 /nfs/dbraw/zinc/79/99/89/1066799989.db2.gz UTYOHGUOYCUHCR-UWJYYQICSA-N 1 0 456.660 4.935 20 0 JJADRO Cc1nc(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cs1 ZINC001492670696 1066800014 /nfs/dbraw/zinc/80/00/14/1066800014.db2.gz ZFAKQBBXLLZWML-QGZVFWFLSA-N 1 0 484.636 4.923 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001492671345 1066801947 /nfs/dbraw/zinc/80/19/47/1066801947.db2.gz VBZWPUKASZPYIJ-YVHKJVDXSA-N 1 0 456.635 4.558 20 0 JJADRO Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cs1 ZINC001492671919 1066803699 /nfs/dbraw/zinc/80/36/99/1066803699.db2.gz IYORACKSFSQKIA-FQEVSTJZSA-N 1 0 482.620 4.843 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001492673608 1066806760 /nfs/dbraw/zinc/80/67/60/1066806760.db2.gz XYEXIOGFBAGMKC-LWYYNNOASA-N 1 0 458.720 4.873 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+]1CCCC1 ZINC001545995714 1066808691 /nfs/dbraw/zinc/80/86/91/1066808691.db2.gz XGIKDUYFBVJMRC-HNNXBMFYSA-N 1 0 455.491 4.672 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(c4ccccc4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001492674519 1066809109 /nfs/dbraw/zinc/80/91/09/1066809109.db2.gz SWRQOMCEQOOGNI-DEOSSOPVSA-N 1 0 466.699 4.994 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H](c2ccco2)[NH+](C)C)cs1 ZINC001492674918 1066809790 /nfs/dbraw/zinc/80/97/90/1066809790.db2.gz YICDNGSHBHBSBN-SFHVURJKSA-N 1 0 482.576 4.699 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2cccc(Cl)c2)cs1 ZINC001492675233 1066810333 /nfs/dbraw/zinc/81/03/33/1066810333.db2.gz QSGCOPDELWAPRE-UHFFFAOYSA-N 1 0 473.090 4.892 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)cs1 ZINC001492676469 1066813623 /nfs/dbraw/zinc/81/36/23/1066813623.db2.gz GKKXESXAOQVXOD-OAQYLSRUSA-N 1 0 470.662 4.777 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCCC[NH+]2CCCCC2)cs1 ZINC001492676997 1066815434 /nfs/dbraw/zinc/81/54/34/1066815434.db2.gz SYUKGFGLUWAZSW-LJQANCHMSA-N 1 0 466.646 4.772 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492677174 1066815986 /nfs/dbraw/zinc/81/59/86/1066815986.db2.gz YDTROWLYXKTVEC-GHTZIAJQSA-N 1 0 458.701 4.871 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC001492681862 1066824151 /nfs/dbraw/zinc/82/41/51/1066824151.db2.gz JJPGDVRMHZJUFB-CNVLFFCLSA-N 1 0 488.746 4.786 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545997990 1066825976 /nfs/dbraw/zinc/82/59/76/1066825976.db2.gz ZSYFBBNMMRBMNT-YWEHKCAJSA-N 1 0 467.702 4.955 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H](c2ccccc2)[NH+](C)C)cs1 ZINC001492683935 1066827361 /nfs/dbraw/zinc/82/73/61/1066827361.db2.gz MHGFYOBGIGNGNQ-FGZHOGPDSA-N 1 0 470.712 4.515 20 0 JJADRO C[C@H](CCNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[NH+]1CCCCC1 ZINC001447621159 1066830248 /nfs/dbraw/zinc/83/02/48/1066830248.db2.gz NROAKMKQJCTRTC-HSZRJFAPSA-N 1 0 450.623 4.695 20 0 JJADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H](C)c2ccc(I)cc2)CC1 ZINC001447624910 1066830919 /nfs/dbraw/zinc/83/09/19/1066830919.db2.gz HXWKPXXNWJINSS-QGZVFWFLSA-N 1 0 456.412 4.755 20 0 JJADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H](C)c2ccc(I)cc2)CC1 ZINC001447624903 1066831020 /nfs/dbraw/zinc/83/10/20/1066831020.db2.gz HXWKPXXNWJINSS-KRWDZBQOSA-N 1 0 456.412 4.755 20 0 JJADRO Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](CC(C)C)CC2)cs1 ZINC001492686513 1066831373 /nfs/dbraw/zinc/83/13/73/1066831373.db2.gz CJWZHAHBGLVYRY-OAQYLSRUSA-N 1 0 482.698 4.821 20 0 JJADRO Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](CC(C)C)CC2)cs1 ZINC001492686512 1066831482 /nfs/dbraw/zinc/83/14/82/1066831482.db2.gz CJWZHAHBGLVYRY-NRFANRHFSA-N 1 0 482.698 4.821 20 0 JJADRO C[NH+](C)CCN(Cc1cccs1)C(=O)CCc1nc2cc(Br)ccc2s1 ZINC001457436182 1066831933 /nfs/dbraw/zinc/83/19/33/1066831933.db2.gz OHFMHTXOZHBLAM-UHFFFAOYSA-N 1 0 452.443 4.643 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCO1 ZINC001546091472 1066839096 /nfs/dbraw/zinc/83/90/96/1066839096.db2.gz QJPBLZAQWKYVOW-KDYSTLNUSA-N 1 0 462.642 4.783 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc(CCc3ccccc3)n2CCC[N@@H+](C)C(C)C)cs1 ZINC001492694712 1066840425 /nfs/dbraw/zinc/84/04/25/1066840425.db2.gz QZJHNVADNQERFJ-HSZRJFAPSA-N 1 0 452.672 4.900 20 0 JJADRO CC[C@H](Cn1c(Cc2ccccn2)nnc1N(CC(C)C)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001545998882 1066840439 /nfs/dbraw/zinc/84/04/39/1066840439.db2.gz DIQHQJKAVDWBKW-AREMUKBSSA-N 1 0 460.670 4.972 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)[NH+](C)C)cs1 ZINC001492695120 1066840973 /nfs/dbraw/zinc/84/09/73/1066840973.db2.gz PAGRJPMAGDAWCV-CKJXQJPGSA-N 1 0 458.607 4.614 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)[NH+](C)C)cs1 ZINC001492695121 1066841075 /nfs/dbraw/zinc/84/10/75/1066841075.db2.gz PAGRJPMAGDAWCV-GCKMJXCFSA-N 1 0 458.607 4.614 20 0 JJADRO Cc1nc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC001492695343 1066841593 /nfs/dbraw/zinc/84/15/93/1066841593.db2.gz XSVVGVWXHDCLIA-BBTUJRGHSA-N 1 0 474.719 4.861 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CC=CCC2)s1 ZINC001492695431 1066842131 /nfs/dbraw/zinc/84/21/31/1066842131.db2.gz BENGEFNWSTUEDU-UHFFFAOYSA-N 1 0 491.434 4.510 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCCCC2)s1 ZINC001492696178 1066846000 /nfs/dbraw/zinc/84/60/00/1066846000.db2.gz WVONYVDYBHGQEV-UHFFFAOYSA-N 1 0 476.597 4.824 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCCCC2)s1 ZINC001492696562 1066847194 /nfs/dbraw/zinc/84/71/94/1066847194.db2.gz QDJMIWULEKMFFM-UHFFFAOYSA-N 1 0 489.487 4.985 20 0 JJADRO Cc1ncc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)s1 ZINC001492696790 1066848397 /nfs/dbraw/zinc/84/83/97/1066848397.db2.gz XTHXQKLHLKVWCS-IBGZPJMESA-N 1 0 454.644 4.532 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)s1 ZINC001492698419 1066851619 /nfs/dbraw/zinc/85/16/19/1066851619.db2.gz WTKDZEJZZCXUAN-JOCHJYFZSA-N 1 0 452.672 4.699 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)[NH+]1CCCCC1 ZINC001457549210 1066858464 /nfs/dbraw/zinc/85/84/64/1066858464.db2.gz BRZIRCVBOHBPSB-NRFANRHFSA-N 1 0 456.384 4.896 20 0 JJADRO Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3CC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001492701816 1066859136 /nfs/dbraw/zinc/85/91/36/1066859136.db2.gz IANJJCJVJHRFLD-NRFANRHFSA-N 1 0 495.741 4.573 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)[NH+](C)C ZINC001447811352 1066864351 /nfs/dbraw/zinc/86/43/51/1066864351.db2.gz BQNLDLAROPWZJO-CYFREDJKSA-N 1 0 451.611 4.709 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC001457569235 1066865988 /nfs/dbraw/zinc/86/59/88/1066865988.db2.gz ZRLGPNSTJWUPOL-FGZHOGPDSA-N 1 0 455.602 4.850 20 0 JJADRO Cc1nc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)sc1C ZINC001457586682 1066872321 /nfs/dbraw/zinc/87/23/21/1066872321.db2.gz XTLGIZCYOIAUJX-XZOQPEGZSA-N 1 0 454.039 4.988 20 0 JJADRO Cc1nccn1CCCn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001492709893 1066874352 /nfs/dbraw/zinc/87/43/52/1066874352.db2.gz XBLWLXBFGARIGJ-XUZZJYLKSA-N 1 0 463.674 4.660 20 0 JJADRO CC(=O)NC1CCC(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)CC1 ZINC001457610848 1066877905 /nfs/dbraw/zinc/87/79/05/1066877905.db2.gz HLLSNUSQPTZGTC-OBFZPWGMSA-N 1 0 456.458 4.603 20 0 JJADRO COc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)cn1 ZINC001457610470 1066878019 /nfs/dbraw/zinc/87/80/19/1066878019.db2.gz GDTMCIJWAHLBQN-OAQYLSRUSA-N 1 0 452.426 4.945 20 0 JJADRO CCO[C@@H]1COCC[C@@H]1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C ZINC001457610616 1066878052 /nfs/dbraw/zinc/87/80/52/1066878052.db2.gz GUROXXLXEMTWAL-STZQEDGTSA-N 1 0 459.458 4.740 20 0 JJADRO CCO[C@@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C)C1CCOCC1 ZINC001457615064 1066879099 /nfs/dbraw/zinc/87/90/99/1066879099.db2.gz XCCHJMRGLCQFTI-FCHUYYIVSA-N 1 0 459.458 4.740 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)COc3c(Cl)cc(Cl)cc3Cl)nc2)CC1 ZINC001457618724 1066881479 /nfs/dbraw/zinc/88/14/79/1066881479.db2.gz AAUXYVALATXXBK-UHFFFAOYSA-N 1 0 457.789 4.590 20 0 JJADRO CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001546001869 1066886742 /nfs/dbraw/zinc/88/67/42/1066886742.db2.gz VHWFKHXMGVYQHX-XXBNENTESA-N 1 0 452.672 4.748 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001448029195 1066892329 /nfs/dbraw/zinc/89/23/29/1066892329.db2.gz QLWZEKONZWLCSM-ZHRRBRCNSA-N 1 0 455.400 4.673 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001448068826 1066895710 /nfs/dbraw/zinc/89/57/10/1066895710.db2.gz SCRIAFLTPXEMKK-INIZCTEOSA-N 1 0 454.399 4.726 20 0 JJADRO Cc1cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nn1-c1ccc(Cl)cc1 ZINC001448070296 1066896405 /nfs/dbraw/zinc/89/64/05/1066896405.db2.gz VRORTKFPLDFKPU-FQEVSTJZSA-N 1 0 450.892 4.886 20 0 JJADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448072949 1066896978 /nfs/dbraw/zinc/89/69/78/1066896978.db2.gz ZUZAREYGLQYHFY-SCLBCKFNSA-N 1 0 459.306 4.654 20 0 JJADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448072951 1066897017 /nfs/dbraw/zinc/89/70/17/1066897017.db2.gz ZUZAREYGLQYHFY-UGSOOPFHSA-N 1 0 459.306 4.654 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1Cn1c(CC(C)C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492728936 1066898848 /nfs/dbraw/zinc/89/88/48/1066898848.db2.gz PNKSEODGISDEQO-UHFFFAOYSA-N 1 0 477.701 4.886 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001492730782 1066901102 /nfs/dbraw/zinc/90/11/02/1066901102.db2.gz DCCTVBCXRQDFEU-XMMPIXPASA-N 1 0 484.092 4.907 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccccc4C)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001492731193 1066901989 /nfs/dbraw/zinc/90/19/89/1066901989.db2.gz NPAABUALBCSOKI-VWLOTQADSA-N 1 0 463.674 4.562 20 0 JJADRO COc1cc(/C=C(/C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c2ccccc2)ccc1O ZINC001448128596 1066903159 /nfs/dbraw/zinc/90/31/59/1066903159.db2.gz UYWUFWORCOJART-SIYKBWGXSA-N 1 0 456.586 4.968 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001492732504 1066903778 /nfs/dbraw/zinc/90/37/78/1066903778.db2.gz QCEAXIVFSNFESF-HXUWFJFHSA-N 1 0 485.627 4.880 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001492732007 1066903867 /nfs/dbraw/zinc/90/38/67/1066903867.db2.gz HDUYWADPXQUACP-RTWAWAEBSA-N 1 0 485.627 4.736 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001492732161 1066904311 /nfs/dbraw/zinc/90/43/11/1066904311.db2.gz JZXGYDKVNQIGJB-MOPGFXCFSA-N 1 0 469.684 4.763 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)n1 ZINC001492732229 1066904722 /nfs/dbraw/zinc/90/47/22/1066904722.db2.gz LQVZMUVMNYUVTL-GMAHTHKFSA-N 1 0 461.614 4.541 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001492732563 1066905644 /nfs/dbraw/zinc/90/56/44/1066905644.db2.gz RKLRSKOQNFUVDA-PZJWPPBQSA-N 1 0 455.676 4.663 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492732808 1066906267 /nfs/dbraw/zinc/90/62/67/1066906267.db2.gz WKMAUZSWJJMMRR-AWRGLXIESA-N 1 0 463.674 4.705 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492732989 1066906545 /nfs/dbraw/zinc/90/65/45/1066906545.db2.gz YYHUBKOWJATHQE-HXUWFJFHSA-N 1 0 473.616 4.734 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001492733723 1066907492 /nfs/dbraw/zinc/90/74/92/1066907492.db2.gz RKFFNFYQKXVPGJ-GBXCKJPGSA-N 1 0 455.695 4.809 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3ccccc3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001492734718 1066907859 /nfs/dbraw/zinc/90/78/59/1066907859.db2.gz WBLZXPIXCZIOEV-OAQYLSRUSA-N 1 0 463.674 4.502 20 0 JJADRO Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001457744028 1066909462 /nfs/dbraw/zinc/90/94/62/1066909462.db2.gz LLWXUENIESFRLN-UHFFFAOYSA-N 1 0 454.590 4.901 20 0 JJADRO O=C(Nc1cc(I)ccc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457754076 1066912311 /nfs/dbraw/zinc/91/23/11/1066912311.db2.gz VUTQQFYMRNPOAR-HNNXBMFYSA-N 1 0 454.739 4.795 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CC=CCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC001492737800 1066913160 /nfs/dbraw/zinc/91/31/60/1066913160.db2.gz DIPGLYJMQYGUNU-DEOSSOPVSA-N 1 0 475.685 4.821 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)CCCCc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001492739389 1066914128 /nfs/dbraw/zinc/91/41/28/1066914128.db2.gz HMCMJOAFZQNZDK-VWLOTQADSA-N 1 0 477.701 4.719 20 0 JJADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1nn(-c2ccccc2F)cc1Br ZINC001457767456 1066914410 /nfs/dbraw/zinc/91/44/10/1066914410.db2.gz SNSVLIQGNBCPQQ-UHFFFAOYSA-N 1 0 457.347 4.930 20 0 JJADRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001457773458 1066916164 /nfs/dbraw/zinc/91/61/64/1066916164.db2.gz NOSHOVYGEUYZQC-DEOSSOPVSA-N 1 0 452.561 4.817 20 0 JJADRO C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC001448295966 1066916526 /nfs/dbraw/zinc/91/65/26/1066916526.db2.gz MZHYRKOJOVXRJM-GHTZIAJQSA-N 1 0 450.023 4.725 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001492745470 1066921429 /nfs/dbraw/zinc/92/14/29/1066921429.db2.gz POGDXHSCIZEBIY-HSZRJFAPSA-N 1 0 455.695 4.667 20 0 JJADRO CC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546005394 1066921576 /nfs/dbraw/zinc/92/15/76/1066921576.db2.gz AXARBUXALAGRRY-XZOQPEGZSA-N 1 0 488.721 4.578 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001492745881 1066921737 /nfs/dbraw/zinc/92/17/37/1066921737.db2.gz ZZPFGMMBFMMDMG-UUOWRZLLSA-N 1 0 495.638 4.819 20 0 JJADRO CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001546005609 1066924157 /nfs/dbraw/zinc/92/41/57/1066924157.db2.gz GAFOGFVCIXWVQU-JOCHJYFZSA-N 1 0 488.721 4.769 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492749356 1066924226 /nfs/dbraw/zinc/92/42/26/1066924226.db2.gz ZAWALXISRCLUPI-JQVVWYNYSA-N 1 0 495.638 4.677 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492749355 1066924294 /nfs/dbraw/zinc/92/42/94/1066924294.db2.gz ZAWALXISRCLUPI-IPJJNNNSSA-N 1 0 495.638 4.677 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3ccc(O)cc3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492750568 1066925594 /nfs/dbraw/zinc/92/55/94/1066925594.db2.gz BGJWJJWBEWMMSB-RUZDIDTESA-N 1 0 479.673 4.696 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3c3ccco3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001492750779 1066925913 /nfs/dbraw/zinc/92/59/13/1066925913.db2.gz IVCVQEDZVRVLMO-QFIPXVFZSA-N 1 0 453.635 4.583 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492751371 1066926274 /nfs/dbraw/zinc/92/62/74/1066926274.db2.gz ZJKMHCFQCQNWDJ-NJYVYQBISA-N 1 0 455.695 4.523 20 0 JJADRO CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)OC ZINC001546005938 1066926277 /nfs/dbraw/zinc/92/62/77/1066926277.db2.gz MBVAREGNIRWBNP-PZUNEJSGSA-N 1 0 453.675 4.579 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CCCC(C)(C)C)n1 ZINC001492753135 1066926870 /nfs/dbraw/zinc/92/68/70/1066926870.db2.gz NGGJPYPWGDKHCP-HSZRJFAPSA-N 1 0 463.674 4.677 20 0 JJADRO CC(C)[C@H](NC(=O)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437196 1066927168 /nfs/dbraw/zinc/92/71/68/1066927168.db2.gz JUCGNRLTJRFRDB-PKTZIBPZSA-N 1 0 457.590 4.664 20 0 JJADRO CC(C)[NH+]1CCC(C(=O)N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)CC1 ZINC001457822128 1066928452 /nfs/dbraw/zinc/92/84/52/1066928452.db2.gz NJVJUAPXBYVFHP-UHFFFAOYSA-N 1 0 456.030 4.688 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C3CCCCC3)[NH+](C)C)CC2)n1 ZINC001492758076 1066929705 /nfs/dbraw/zinc/92/97/05/1066929705.db2.gz URGVXUWFINRZLM-DEOSSOPVSA-N 1 0 469.722 4.816 20 0 JJADRO Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001448465235 1066930175 /nfs/dbraw/zinc/93/01/75/1066930175.db2.gz LORWCKCBNHSEKQ-XUZZJYLKSA-N 1 0 451.517 4.568 20 0 JJADRO Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001448465234 1066930260 /nfs/dbraw/zinc/93/02/60/1066930260.db2.gz LORWCKCBNHSEKQ-URXFXBBRSA-N 1 0 451.517 4.568 20 0 JJADRO Cc1cc(C)n(CCCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001492760974 1066933893 /nfs/dbraw/zinc/93/38/93/1066933893.db2.gz XXPKSLPFXWTWOK-OAQYLSRUSA-N 1 0 486.064 4.506 20 0 JJADRO Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001492766087 1066938558 /nfs/dbraw/zinc/93/85/58/1066938558.db2.gz AULZJXDBGYPGRQ-QFIPXVFZSA-N 1 0 481.714 4.618 20 0 JJADRO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CCCCC[NH+]1CCCCC1 ZINC001492776327 1066946558 /nfs/dbraw/zinc/94/65/58/1066946558.db2.gz WMTBFCFGCLUCTB-AIZNXBIQSA-N 1 0 474.694 4.609 20 0 JJADRO Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492783475 1066948512 /nfs/dbraw/zinc/94/85/12/1066948512.db2.gz FASJQYHXMAXWKN-KZKYLIHBSA-N 1 0 453.675 4.947 20 0 JJADRO Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001492783168 1066948636 /nfs/dbraw/zinc/94/86/36/1066948636.db2.gz NWNXZZBLYZMJAK-AWEZNQCLSA-N 1 0 452.550 4.828 20 0 JJADRO Cc1nnc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492785829 1066948929 /nfs/dbraw/zinc/94/89/29/1066948929.db2.gz WWFGFMYLFPGWKL-FTJBHMTQSA-N 1 0 453.675 4.949 20 0 JJADRO Cc1nnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492785828 1066949054 /nfs/dbraw/zinc/94/90/54/1066949054.db2.gz WWFGFMYLFPGWKL-CLJLJLNGSA-N 1 0 453.675 4.949 20 0 JJADRO CCCc1c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001448679366 1066950109 /nfs/dbraw/zinc/95/01/09/1066950109.db2.gz VCHZWBAHBFSYHS-UHFFFAOYSA-N 1 0 454.521 4.960 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)c1c[nH]c2ccc(Br)cc21)c1cccc(C(F)(F)F)c1 ZINC001457976498 1066950084 /nfs/dbraw/zinc/95/00/84/1066950084.db2.gz VUZHIGHPZZYOIK-GOSISDBHSA-N 1 0 454.290 4.982 20 0 JJADRO Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492799565 1066952636 /nfs/dbraw/zinc/95/26/36/1066952636.db2.gz IDHXCURUXWMFTN-GLDPYIMESA-N 1 0 460.066 4.558 20 0 JJADRO Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001492803857 1066953391 /nfs/dbraw/zinc/95/33/91/1066953391.db2.gz BHQIZDGRBMBASN-RXFWQSSRSA-N 1 0 476.710 4.570 20 0 JJADRO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001492804963 1066953989 /nfs/dbraw/zinc/95/39/89/1066953989.db2.gz VHKRLIRZJNKIFZ-SFHVURJKSA-N 1 0 480.579 4.560 20 0 JJADRO Cc1nnc(N2CCC(OCCC(C)C)CC2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001492820848 1066954953 /nfs/dbraw/zinc/95/49/53/1066954953.db2.gz MRBNAWDFWQYJRU-RDGATRHJSA-N 1 0 453.675 4.919 20 0 JJADRO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001492830400 1066955406 /nfs/dbraw/zinc/95/54/06/1066955406.db2.gz JHUAJXFKOSYILP-LJQANCHMSA-N 1 0 468.646 4.761 20 0 JJADRO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001492830157 1066955465 /nfs/dbraw/zinc/95/54/65/1066955465.db2.gz GBADOBLOGRLVEN-LJQANCHMSA-N 1 0 468.646 4.761 20 0 JJADRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccc(Br)cn1 ZINC001448758541 1066955904 /nfs/dbraw/zinc/95/59/04/1066955904.db2.gz UWSIOQPVBIUURB-NSISKUIASA-N 1 0 470.436 4.999 20 0 JJADRO Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001492843620 1066956788 /nfs/dbraw/zinc/95/67/88/1066956788.db2.gz HZCPJJZMNYBOBK-SJLPKXTDSA-N 1 0 482.551 4.888 20 0 JJADRO Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001492843622 1066956810 /nfs/dbraw/zinc/95/68/10/1066956810.db2.gz HZCPJJZMNYBOBK-WMZOPIPTSA-N 1 0 482.551 4.888 20 0 JJADRO Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001492846670 1066957319 /nfs/dbraw/zinc/95/73/19/1066957319.db2.gz GSBVHIZIMMCIDT-SFHVURJKSA-N 1 0 467.992 4.838 20 0 JJADRO COc1ccccc1Nc1ncccc1C(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001458037504 1066959045 /nfs/dbraw/zinc/95/90/45/1066959045.db2.gz WZGQHWFDKFPPOC-UHFFFAOYSA-N 1 0 452.558 4.943 20 0 JJADRO CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001546009892 1066960362 /nfs/dbraw/zinc/96/03/62/1066960362.db2.gz AZDJNVJGEOQKIR-OAQYLSRUSA-N 1 0 494.709 4.774 20 0 JJADRO Cc1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492940820 1066960787 /nfs/dbraw/zinc/96/07/87/1066960787.db2.gz DDCRILPDQIGVTQ-KGVIQGDOSA-N 1 0 490.490 4.683 20 0 JJADRO CC[NH+](CC)[C@H](CNc1ncnc(CC(C)C)c1I)c1ccccc1 ZINC001458047413 1066960694 /nfs/dbraw/zinc/96/06/94/1066960694.db2.gz PNGSSROTMYBKED-GOSISDBHSA-N 1 0 452.384 4.775 20 0 JJADRO Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001492944939 1066961155 /nfs/dbraw/zinc/96/11/55/1066961155.db2.gz VFTJVXYRPMUYLK-RBUKOAKNSA-N 1 0 466.438 4.836 20 0 JJADRO C[C@H]1C[C@@H](CCNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC001458055937 1066963015 /nfs/dbraw/zinc/96/30/15/1066963015.db2.gz DGHWVWCWTZMFIF-AZUAARDMSA-N 1 0 456.512 4.922 20 0 JJADRO CO[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001458059872 1066964550 /nfs/dbraw/zinc/96/45/50/1066964550.db2.gz QCYHSWNYZHFLBN-VPWXQRGCSA-N 1 0 451.430 4.615 20 0 JJADRO CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@@H](COC)C1)[NH+]1CCCC1 ZINC001546010113 1066965449 /nfs/dbraw/zinc/96/54/49/1066965449.db2.gz GBMOLXVLBMQOIW-RPWUZVMVSA-N 1 0 469.674 4.601 20 0 JJADRO CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@H](COC)C1)[NH+]1CCCC1 ZINC001546010111 1066965508 /nfs/dbraw/zinc/96/55/08/1066965508.db2.gz GBMOLXVLBMQOIW-BJKOFHAPSA-N 1 0 469.674 4.601 20 0 JJADRO CCc1ccc(-c2nc(CC(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)cs2)cc1 ZINC001448923081 1066970487 /nfs/dbraw/zinc/97/04/87/1066970487.db2.gz PBJFASUSNXRAEE-UHFFFAOYSA-N 1 0 451.558 4.837 20 0 JJADRO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1Sc1cc(Cl)nc(C2CC2)n1)C(C)C ZINC001458091465 1066971787 /nfs/dbraw/zinc/97/17/87/1066971787.db2.gz ZMXGKDGCVGIHCF-UHFFFAOYSA-N 1 0 458.031 4.987 20 0 JJADRO CC[C@@H](c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545717877 1066972205 /nfs/dbraw/zinc/97/22/05/1066972205.db2.gz SXJFTCSWPPAHFX-OEMFJLHTSA-N 1 0 465.642 4.967 20 0 JJADRO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001545719119 1066973214 /nfs/dbraw/zinc/97/32/14/1066973214.db2.gz BEZOLXSBROGNJJ-SDMRFKEVSA-N 1 0 494.728 4.968 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545721439 1066975664 /nfs/dbraw/zinc/97/56/64/1066975664.db2.gz ACCSVRIYPSDFFS-WMZHIEFXSA-N 1 0 453.034 4.847 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2cnc(C)s2)n1CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545722213 1066977642 /nfs/dbraw/zinc/97/76/42/1066977642.db2.gz QOJRXWVLMQUYNX-HSZRJFAPSA-N 1 0 452.672 4.953 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545722551 1066978180 /nfs/dbraw/zinc/97/81/80/1066978180.db2.gz WIWGVQOCZIEVJM-UTKZUKDTSA-N 1 0 489.590 4.691 20 0 JJADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3F)c3ccccc3)nc2)C1 ZINC001458111490 1066978976 /nfs/dbraw/zinc/97/89/76/1066978976.db2.gz PZLLFZMAZQVUOF-YKSBVNFPSA-N 1 0 450.583 4.833 20 0 JJADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3F)c3ccccc3)nc2)C1 ZINC001458111487 1066979030 /nfs/dbraw/zinc/97/90/30/1066979030.db2.gz PZLLFZMAZQVUOF-RDPSFJRHSA-N 1 0 450.583 4.833 20 0 JJADRO CC[C@@H](c1nnc(N(C)CC2CCCCC2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001545723717 1066979654 /nfs/dbraw/zinc/97/96/54/1066979654.db2.gz DPLHBDMTCQJDEX-RUZDIDTESA-N 1 0 453.675 4.683 20 0 JJADRO C[C@@H](CNc1ncncc1-c1ccc(Br)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC001458112842 1066979586 /nfs/dbraw/zinc/97/95/86/1066979586.db2.gz QKQFTXZSUZEFAL-SFHVURJKSA-N 1 0 452.400 4.529 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2nccs2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545724434 1066981204 /nfs/dbraw/zinc/98/12/04/1066981204.db2.gz QGSQSCVAHLDIOP-UXHICEINSA-N 1 0 450.612 4.809 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545724733 1066981677 /nfs/dbraw/zinc/98/16/77/1066981677.db2.gz WCBWOCPSVAZCLF-FCHUYYIVSA-N 1 0 484.092 4.964 20 0 JJADRO CC[C@@H](c1nnc(N(C)CCC(F)(F)F)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545726861 1066984291 /nfs/dbraw/zinc/98/42/91/1066984291.db2.gz YPDBEVCXXGFKAD-WIYYLYMNSA-N 1 0 455.594 4.646 20 0 JJADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001449155039 1066985931 /nfs/dbraw/zinc/98/59/31/1066985931.db2.gz UEMHESXYKVBJAE-FQEVSTJZSA-N 1 0 450.465 4.806 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)C2)s1 ZINC001449179763 1066988077 /nfs/dbraw/zinc/98/80/77/1066988077.db2.gz YHUORMIRMHIOTO-KRWDZBQOSA-N 1 0 459.015 4.673 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)OCc1cn(-c2ccccc2Cl)nn1 ZINC001458149062 1066988287 /nfs/dbraw/zinc/98/82/87/1066988287.db2.gz BCLHCXRLGUFIGQ-IFMALSPDSA-N 1 0 452.986 4.758 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730570 1066988348 /nfs/dbraw/zinc/98/83/48/1066988348.db2.gz BQIXXGSWKNPKGO-XQBPLPMBSA-N 1 0 484.595 4.784 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545731363 1066990671 /nfs/dbraw/zinc/99/06/71/1066990671.db2.gz NJEDLJYJGKWQPK-NMNFXAFOSA-N 1 0 459.729 4.588 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545731896 1066991931 /nfs/dbraw/zinc/99/19/31/1066991931.db2.gz UUSWAGQKGGTGGE-BFLUCZKCSA-N 1 0 480.745 4.966 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732006 1066992565 /nfs/dbraw/zinc/99/25/65/1066992565.db2.gz WESHESPCHZGVSS-FUPPJEDESA-N 1 0 484.689 4.606 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732009 1066993114 /nfs/dbraw/zinc/99/31/14/1066993114.db2.gz WESHESPCHZGVSS-QZNHQXDQSA-N 1 0 484.689 4.606 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001546012673 1066994965 /nfs/dbraw/zinc/99/49/65/1066994965.db2.gz MKOKYLCLOMEBFM-IBGZPJMESA-N 1 0 469.527 4.649 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCCC1 ZINC001546012772 1066995082 /nfs/dbraw/zinc/99/50/82/1066995082.db2.gz OBZMCAOWZUIGKI-QZTJIDSGSA-N 1 0 484.497 4.980 20 0 JJADRO C/C(=C/C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1C(F)(F)F ZINC001449285803 1066995745 /nfs/dbraw/zinc/99/57/45/1066995745.db2.gz OSVDADIUZWWPKK-XPUAKXTGSA-N 1 0 457.540 4.527 20 0 JJADRO CC[C@@H](c1nnc(N2CC=C(COC)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734618 1066997975 /nfs/dbraw/zinc/99/79/75/1066997975.db2.gz WKJHSVAOKXPXBB-JCYRPKCISA-N 1 0 465.686 4.971 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545735529 1066999011 /nfs/dbraw/zinc/99/90/11/1066999011.db2.gz CMNOESFOEITHDA-GPUOULLFSA-N 1 0 453.675 4.803 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001449321749 1066999167 /nfs/dbraw/zinc/99/91/67/1066999167.db2.gz GDKZXQUJVQJHED-JCYYIGJDSA-N 1 0 475.677 4.665 20 0 JJADRO CC1CC[NH+](C2CCC(NC(=O)c3ccccc3CCN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001458196440 1067001990 /nfs/dbraw/zinc/00/19/90/1067001990.db2.gz UEEZNFUSASTHFR-UHFFFAOYSA-N 1 0 457.659 4.869 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1cccnc1OC)c1ccccc1 ZINC001545738580 1067002901 /nfs/dbraw/zinc/00/29/01/1067002901.db2.gz KKWDDJLXVIJERB-VWLOTQADSA-N 1 0 476.669 4.829 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545738559 1067003056 /nfs/dbraw/zinc/00/30/56/1067003056.db2.gz KAXZUDIKDPCCMO-DEOSSOPVSA-N 1 0 482.717 4.539 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C[NH+](CC)CC)C2)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545738721 1067003637 /nfs/dbraw/zinc/00/36/37/1067003637.db2.gz NMRBRUZJCALOKX-FAHANXHHSA-N 1 0 467.702 4.929 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545738701 1067003697 /nfs/dbraw/zinc/00/36/97/1067003697.db2.gz NESIUEBOJWGYQE-LOSJGSFVSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C[NH+](CC)CC)C2)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545738722 1067003723 /nfs/dbraw/zinc/00/37/23/1067003723.db2.gz NMRBRUZJCALOKX-MBEZDYHHSA-N 1 0 467.702 4.929 20 0 JJADRO CC[C@H](c1nnc(N2CCC(CO)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545738854 1067003857 /nfs/dbraw/zinc/00/38/57/1067003857.db2.gz PGTHTMOEYCBDAL-ZEVJAHDQSA-N 1 0 467.702 4.787 20 0 JJADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)CC2)c1 ZINC001449365195 1067004625 /nfs/dbraw/zinc/00/46/25/1067004625.db2.gz FZWKDGPIJGNRRZ-JOCHJYFZSA-N 1 0 459.556 4.932 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC(=O)NC1CCCCC1)c1ccccc1 ZINC001545739376 1067005038 /nfs/dbraw/zinc/00/50/38/1067005038.db2.gz YYSKPMCJJBPYQN-SANMLTNESA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545740638 1067005730 /nfs/dbraw/zinc/00/57/30/1067005730.db2.gz BBBPJPKMBWSHRV-HYBUGGRVSA-N 1 0 496.700 4.796 20 0 JJADRO CC[C@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545740639 1067005983 /nfs/dbraw/zinc/00/59/83/1067005983.db2.gz BBBPJPKMBWSHRV-RDPSFJRHSA-N 1 0 496.700 4.796 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545740952 1067006842 /nfs/dbraw/zinc/00/68/42/1067006842.db2.gz HBEJOCIXXWXPBA-OEMFJLHTSA-N 1 0 498.716 4.996 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545740957 1067006877 /nfs/dbraw/zinc/00/68/77/1067006877.db2.gz HCNSKNKOEGTPMB-HSZRJFAPSA-N 1 0 484.689 4.654 20 0 JJADRO CN(C)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001458230955 1067008497 /nfs/dbraw/zinc/00/84/97/1067008497.db2.gz OVWCKXRHZJZQPP-YFXJRYMSSA-N 1 0 456.428 4.546 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1Cc1ccc(F)cn1)c1ccccc1 ZINC001545741872 1067008804 /nfs/dbraw/zinc/00/88/04/1067008804.db2.gz XWWXWBSINBIACX-XMMPIXPASA-N 1 0 450.606 4.713 20 0 JJADRO CC[C@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545743330 1067009824 /nfs/dbraw/zinc/00/98/24/1067009824.db2.gz HVSMSXXCHIXVCW-NRFANRHFSA-N 1 0 493.618 4.836 20 0 JJADRO CC[C@H](Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001546014400 1067009961 /nfs/dbraw/zinc/00/99/61/1067009961.db2.gz HZBSQZAOTRWJNW-KZNAEPCWSA-N 1 0 469.527 4.505 20 0 JJADRO CC(C)n1nnnc1-c1ccc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc1F ZINC001458242787 1067010355 /nfs/dbraw/zinc/01/03/55/1067010355.db2.gz JEZLREBQSLOJQH-UHFFFAOYSA-N 1 0 458.541 4.944 20 0 JJADRO CC[C@@H](c1nnc(N2CCC=C(Br)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545744269 1067011287 /nfs/dbraw/zinc/01/12/87/1067011287.db2.gz ZBKOELMROMZTAB-HXUWFJFHSA-N 1 0 460.464 4.897 20 0 JJADRO CC[C@H](c1nnc(N2CCC=C(Br)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545744268 1067011386 /nfs/dbraw/zinc/01/13/86/1067011386.db2.gz ZBKOELMROMZTAB-FQEVSTJZSA-N 1 0 460.464 4.897 20 0 JJADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C1CCC(C)CC1)[NH+]1CCCC1 ZINC001546014758 1067011559 /nfs/dbraw/zinc/01/15/59/1067011559.db2.gz NNCKRFGYDUYNRS-SSHHQQQNSA-N 1 0 488.721 4.938 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC001545745464 1067012138 /nfs/dbraw/zinc/01/21/38/1067012138.db2.gz BKCBTSGYIDOITI-YMPZKCBVSA-N 1 0 481.666 4.574 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545746233 1067013834 /nfs/dbraw/zinc/01/38/34/1067013834.db2.gz LWQGFUPZXCCEFQ-ISKFKSNPSA-N 1 0 496.744 4.787 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545746236 1067013898 /nfs/dbraw/zinc/01/38/98/1067013898.db2.gz LWQGFUPZXCCEFQ-VWNXMTODSA-N 1 0 496.744 4.787 20 0 JJADRO Cc1ccc2nc(CSCC(=O)Nc3cc(Cl)ccc3OC3CC[NH+](C)CC3)cn2c1 ZINC001449555685 1067014901 /nfs/dbraw/zinc/01/49/01/1067014901.db2.gz NAPYJXGEZKGEHU-UHFFFAOYSA-N 1 0 459.015 4.641 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545748387 1067016898 /nfs/dbraw/zinc/01/68/98/1067016898.db2.gz AASZJDXVTQWNAR-CLJLJLNGSA-N 1 0 494.728 4.683 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001545749340 1067019715 /nfs/dbraw/zinc/01/97/15/1067019715.db2.gz MZHRYJBXIPJRQH-DNQXCXABSA-N 1 0 498.716 4.996 20 0 JJADRO COC(=O)c1ccccc1CCC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001458279969 1067019835 /nfs/dbraw/zinc/01/98/35/1067019835.db2.gz MOBROCIRYRIHGD-DEOSSOPVSA-N 1 0 452.595 4.824 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545749384 1067019899 /nfs/dbraw/zinc/01/98/99/1067019899.db2.gz NHHMIWAYDCKPRU-YFNKSVMNSA-N 1 0 453.675 4.946 20 0 JJADRO CC(C)(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1csc(-c2cc(F)ccc2F)n1 ZINC001458280915 1067020358 /nfs/dbraw/zinc/02/03/58/1067020358.db2.gz JLCRXOCMSPYZED-UHFFFAOYSA-N 1 0 456.562 4.794 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545749555 1067020494 /nfs/dbraw/zinc/02/04/94/1067020494.db2.gz PPNBXOFKPYTTSB-BUUDZMLXSA-N 1 0 478.689 4.600 20 0 JJADRO COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001458285008 1067021494 /nfs/dbraw/zinc/02/14/94/1067021494.db2.gz VBVBSIBWQCTBGW-XUZZJYLKSA-N 1 0 452.595 4.980 20 0 JJADRO CC[C@H](Cn1c(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546016370 1067022424 /nfs/dbraw/zinc/02/24/24/1067022424.db2.gz CJDUIQJNTTUWCB-MOPGFXCFSA-N 1 0 474.719 4.782 20 0 JJADRO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545751699 1067024908 /nfs/dbraw/zinc/02/49/08/1067024908.db2.gz KBIDFTSRBYYGJY-OZXSUGGESA-N 1 0 480.701 4.533 20 0 JJADRO CC[C@@H](c1nnc(N2CCCCCCC2)n1CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001545751709 1067025395 /nfs/dbraw/zinc/02/53/95/1067025395.db2.gz KEYGWIYMXXFZJX-LOSJGSFVSA-N 1 0 453.675 4.827 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3cccc(C)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546099490 1067032659 /nfs/dbraw/zinc/03/26/59/1067032659.db2.gz GIWQTGZAPCUUQM-SHQCIBLASA-N 1 0 469.674 4.681 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001546099561 1067034245 /nfs/dbraw/zinc/03/42/45/1067034245.db2.gz HUSKXADPHUOZAN-MHZLTWQESA-N 1 0 469.674 4.601 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@@H](F)COC)c1ccccc1 ZINC001545756764 1067034623 /nfs/dbraw/zinc/03/46/23/1067034623.db2.gz NLUYYBTYILGICL-RSHDMXJRSA-N 1 0 457.638 4.505 20 0 JJADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001545757492 1067035876 /nfs/dbraw/zinc/03/58/76/1067035876.db2.gz ZWHIRUVLRJSYPK-URXFXBBRSA-N 1 0 496.103 4.925 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545758158 1067036417 /nfs/dbraw/zinc/03/64/17/1067036417.db2.gz ASPNJLXQBPKILA-MDNUFGMLSA-N 1 0 492.634 4.767 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC001545758176 1067036687 /nfs/dbraw/zinc/03/66/87/1067036687.db2.gz BAJALHKXWMLQRH-FYYLOGMGSA-N 1 0 492.634 4.625 20 0 JJADRO C[C@@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001458345958 1067037283 /nfs/dbraw/zinc/03/72/83/1067037283.db2.gz DEIDIOSVLLKNQG-OFNKIYASSA-N 1 0 451.611 4.993 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545758476 1067037366 /nfs/dbraw/zinc/03/73/66/1067037366.db2.gz HNHVYCUPWYPLQK-AOHZBQACSA-N 1 0 488.671 4.860 20 0 JJADRO CC[C@H](c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545758479 1067038135 /nfs/dbraw/zinc/03/81/35/1067038135.db2.gz HNHVYCUPWYPLQK-ZDXQCDESSA-N 1 0 488.671 4.860 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545758498 1067038555 /nfs/dbraw/zinc/03/85/55/1067038555.db2.gz IEYYSQXJUABSBW-RPEQPCMISA-N 1 0 483.701 4.571 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545758826 1067040161 /nfs/dbraw/zinc/04/01/61/1067040161.db2.gz NPIAZPMXRVSBDA-JOCHJYFZSA-N 1 0 492.634 4.769 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758859 1067040415 /nfs/dbraw/zinc/04/04/15/1067040415.db2.gz OHJRASVORBPBNA-JTHBVZDNSA-N 1 0 492.634 4.625 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC(F)(F)Br)c1ccccc1 ZINC001545758831 1067040633 /nfs/dbraw/zinc/04/06/33/1067040633.db2.gz NTBRKQHKEMYLPQ-SFHVURJKSA-N 1 0 470.406 4.586 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545759203 1067041310 /nfs/dbraw/zinc/04/13/10/1067041310.db2.gz UGDOXBSDAGSACU-QFIPXVFZSA-N 1 0 479.591 4.711 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545759233 1067041684 /nfs/dbraw/zinc/04/16/84/1067041684.db2.gz VAMDOTSGVREXRF-VWLOTQADSA-N 1 0 480.701 4.532 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759370 1067042077 /nfs/dbraw/zinc/04/20/77/1067042077.db2.gz XECBUDFMYWMLAI-GMKZXUHWSA-N 1 0 485.742 4.756 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Br)cc2cccnc21 ZINC001458364164 1067042550 /nfs/dbraw/zinc/04/25/50/1067042550.db2.gz ABYKBVPFEZXPLS-UHFFFAOYSA-N 1 0 453.384 4.771 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001546099798 1067043282 /nfs/dbraw/zinc/04/32/82/1067043282.db2.gz MUSHZRBMGPTKLF-HHHXNRCGSA-N 1 0 469.674 4.601 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545760566 1067043563 /nfs/dbraw/zinc/04/35/63/1067043563.db2.gz FUZQGIDWRXIHLZ-SFTDATJTSA-N 1 0 479.591 4.710 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545760560 1067043595 /nfs/dbraw/zinc/04/35/95/1067043595.db2.gz FUMJFVNGETTWES-MFYODDQASA-N 1 0 483.701 4.571 20 0 JJADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1csc(-c2ccccc2Cl)n1 ZINC001458369146 1067043776 /nfs/dbraw/zinc/04/37/76/1067043776.db2.gz XKBYAKQNSAYKFT-UHFFFAOYSA-N 1 0 456.011 4.911 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545761195 1067044890 /nfs/dbraw/zinc/04/48/90/1067044890.db2.gz OFGNRDNUJCGORB-OUMDNPPYSA-N 1 0 497.728 4.959 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545761840 1067045635 /nfs/dbraw/zinc/04/56/35/1067045635.db2.gz XQWOQSZSBVWQHA-GPXNEJASSA-N 1 0 465.642 4.967 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001545761794 1067045736 /nfs/dbraw/zinc/04/57/36/1067045736.db2.gz XGDRGLPIZXAQFY-SZEHJLNQSA-N 1 0 453.675 4.944 20 0 JJADRO CC[C@@H](c1nnc(N2CCOC(C)(C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC001545763178 1067046699 /nfs/dbraw/zinc/04/66/99/1067046699.db2.gz DOUKJSBPJFAFBY-DNQXCXABSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545763546 1067047378 /nfs/dbraw/zinc/04/73/78/1067047378.db2.gz JYWNUWQAQPNEBI-SFLYRZDNSA-N 1 0 451.615 4.721 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@@](C)(CC)C2)n1CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC001545763548 1067047449 /nfs/dbraw/zinc/04/74/49/1067047449.db2.gz KBGLNUCNMAGEFX-KCWPFWIISA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001545764685 1067049294 /nfs/dbraw/zinc/04/92/94/1067049294.db2.gz ZVOSQYJPQWMSAR-HOFKKMOUSA-N 1 0 453.675 4.947 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001450114027 1067050357 /nfs/dbraw/zinc/05/03/57/1067050357.db2.gz KCTRZBKLUAEELJ-LADGPHEKSA-N 1 0 459.675 4.681 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1noc(-c2ccc(F)cc2)n1 ZINC001450123311 1067050895 /nfs/dbraw/zinc/05/08/95/1067050895.db2.gz YUVAASYPNPFGOU-HSZRJFAPSA-N 1 0 450.558 4.681 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001450120377 1067050970 /nfs/dbraw/zinc/05/09/70/1067050970.db2.gz RHBJPDGFILQPCO-XPGKHFPBSA-N 1 0 483.697 4.966 20 0 JJADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C[C@@H]1C ZINC001458397149 1067051555 /nfs/dbraw/zinc/05/15/55/1067051555.db2.gz PQYKTHBMWIYEHA-VXKWHMMOSA-N 1 0 452.614 4.963 20 0 JJADRO COc1ccc(OCCC(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001450154051 1067055118 /nfs/dbraw/zinc/05/51/18/1067055118.db2.gz TWCXFTNTRHNRHQ-VWLOTQADSA-N 1 0 459.590 4.553 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCCC[NH+]2CCC(C)CC2)CCO1 ZINC001546100394 1067055383 /nfs/dbraw/zinc/05/53/83/1067055383.db2.gz YLGVWKGLNTXJLY-MUUNZHRXSA-N 1 0 483.701 4.991 20 0 JJADRO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ccnc(OCC[NH+](C)C)c3)cc12 ZINC001458422812 1067057212 /nfs/dbraw/zinc/05/72/12/1067057212.db2.gz ILGIMVOICKJQLM-UHFFFAOYSA-N 1 0 455.971 4.637 20 0 JJADRO CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1)OC ZINC001545771324 1067058098 /nfs/dbraw/zinc/05/80/98/1067058098.db2.gz MBBQJMMHNVVTRU-IBGZPJMESA-N 1 0 461.626 4.683 20 0 JJADRO CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)OC ZINC001545771452 1067058399 /nfs/dbraw/zinc/05/83/99/1067058399.db2.gz PLXWDSDZAUCLEY-SFTDATJTSA-N 1 0 473.637 4.827 20 0 JJADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C[C@@H]1C ZINC001458431121 1067058785 /nfs/dbraw/zinc/05/87/85/1067058785.db2.gz PDDNFNCYIUNFIL-IRXDYDNUSA-N 1 0 458.400 4.565 20 0 JJADRO CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)SC ZINC001545771582 1067059359 /nfs/dbraw/zinc/05/93/59/1067059359.db2.gz TYDAGBIQOPPJME-RDJZCZTQSA-N 1 0 481.508 4.630 20 0 JJADRO CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001546020533 1067060507 /nfs/dbraw/zinc/06/05/07/1067060507.db2.gz INUWDPNJWHOQGR-NHTMILBNSA-N 1 0 469.674 4.507 20 0 JJADRO COC(=O)Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC001458444994 1067061652 /nfs/dbraw/zinc/06/16/52/1067061652.db2.gz ASYZFOCOYHVRMM-DJJJIMSYSA-N 1 0 454.329 4.734 20 0 JJADRO COC(=O)Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC001458444996 1067062002 /nfs/dbraw/zinc/06/20/02/1067062002.db2.gz ASYZFOCOYHVRMM-ORAYPTAESA-N 1 0 454.329 4.734 20 0 JJADRO Cc1cc(Br)ccc1CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458444622 1067062057 /nfs/dbraw/zinc/06/20/57/1067062057.db2.gz AJDFYQDMWPNBDW-IERDGZPVSA-N 1 0 453.783 4.902 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545774078 1067064641 /nfs/dbraw/zinc/06/46/41/1067064641.db2.gz CTHLDHMFNYCPBZ-UHFFFAOYSA-N 1 0 499.700 4.868 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458450731 1067065434 /nfs/dbraw/zinc/06/54/34/1067065434.db2.gz WBBPYORGLVESAE-NTKDMRAZSA-N 1 0 453.945 4.876 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)OC ZINC001545774295 1067065914 /nfs/dbraw/zinc/06/59/14/1067065914.db2.gz KHEBMCSKFPCBJV-UHFFFAOYSA-N 1 0 483.060 4.911 20 0 JJADRO C[C@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001450267729 1067066898 /nfs/dbraw/zinc/06/68/98/1067066898.db2.gz GKLSQRUETZFJAS-INIZCTEOSA-N 1 0 454.924 4.533 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)OC ZINC001545774561 1067067526 /nfs/dbraw/zinc/06/75/26/1067067526.db2.gz TVSHTLPTPMKYNF-JOCHJYFZSA-N 1 0 485.673 4.621 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](C2CCCC2)CC1)SC ZINC001545775957 1067070104 /nfs/dbraw/zinc/07/01/04/1067070104.db2.gz QHTVNCHJPLCAPU-UHFFFAOYSA-N 1 0 457.688 4.940 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1OC ZINC001458469265 1067070092 /nfs/dbraw/zinc/07/00/92/1067070092.db2.gz PJFLXJSJGVTNAQ-GDBMZVCRSA-N 1 0 477.955 4.727 20 0 JJADRO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)SC ZINC001545778101 1067073331 /nfs/dbraw/zinc/07/33/31/1067073331.db2.gz XAJKRLLQLBEOGV-OYRHEFFESA-N 1 0 488.746 4.531 20 0 JJADRO CCC(O)(CC)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001546022540 1067077416 /nfs/dbraw/zinc/07/74/16/1067077416.db2.gz HOUWMTBLQYDOCK-IRLDBZIGSA-N 1 0 490.092 4.914 20 0 JJADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC001458536966 1067083900 /nfs/dbraw/zinc/08/39/00/1067083900.db2.gz LYHIOHBMTKXHRJ-CTNGQTDRSA-N 1 0 456.428 4.798 20 0 JJADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC001458536971 1067084003 /nfs/dbraw/zinc/08/40/03/1067084003.db2.gz LYHIOHBMTKXHRJ-PZJWPPBQSA-N 1 0 456.428 4.798 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)CCO1 ZINC001546102013 1067086350 /nfs/dbraw/zinc/08/63/50/1067086350.db2.gz PIJQLFRGUVAAHR-HSZRJFAPSA-N 1 0 482.456 4.655 20 0 JJADRO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001458612538 1067095309 /nfs/dbraw/zinc/09/53/09/1067095309.db2.gz DOMYEESZWGFBLH-KRWDZBQOSA-N 1 0 455.318 4.996 20 0 JJADRO CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)CC[N@H+](C)C3CCCCC3)c2)c1 ZINC001450630281 1067097807 /nfs/dbraw/zinc/09/78/07/1067097807.db2.gz RNSHBBMUSLBVIE-UHFFFAOYSA-N 1 0 451.567 4.709 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628491 1067098442 /nfs/dbraw/zinc/09/84/42/1067098442.db2.gz JLHVBMHWLRMOMY-UTKZUKDTSA-N 1 0 453.380 4.618 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC001450697243 1067105303 /nfs/dbraw/zinc/10/53/03/1067105303.db2.gz WAJDGPALXCKAIN-UHFFFAOYSA-N 1 0 453.384 4.576 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@H](O)C2CCCCCCC2)CC1 ZINC001450701220 1067106832 /nfs/dbraw/zinc/10/68/32/1067106832.db2.gz NGTJIZDCXIBXJY-JOCHJYFZSA-N 1 0 451.449 4.593 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2cnc3c(F)cccc3c2)CC1 ZINC001450702984 1067107593 /nfs/dbraw/zinc/10/75/93/1067107593.db2.gz TVGRCFCWPDEEMJ-UHFFFAOYSA-N 1 0 456.359 4.873 20 0 JJADRO COc1ccc(CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H](C)C2CC2)c(OC)c1 ZINC001450710031 1067108955 /nfs/dbraw/zinc/10/89/55/1067108955.db2.gz ILNJFFCQZPOIQD-WMZHIEFXSA-N 1 0 454.586 4.882 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccc(F)cc1 ZINC001450713989 1067109382 /nfs/dbraw/zinc/10/93/82/1067109382.db2.gz YELONIVEPSVMIG-LJQANCHMSA-N 1 0 452.313 4.732 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)[NH+](C)C ZINC001545803211 1067112706 /nfs/dbraw/zinc/11/27/06/1067112706.db2.gz JROIEYMPAAVZOY-LJQANCHMSA-N 1 0 469.600 4.825 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1)[NH+](C)C ZINC001545803601 1067113433 /nfs/dbraw/zinc/11/34/33/1067113433.db2.gz QIIVTGLOKYUYDS-PZUNEJSGSA-N 1 0 496.700 4.519 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC001545803637 1067113975 /nfs/dbraw/zinc/11/39/75/1067113975.db2.gz RCSHMKNWHNYLTB-WIOPSUGQSA-N 1 0 471.665 4.747 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@H](OC)C1)[NH+](C)C ZINC001545804751 1067116211 /nfs/dbraw/zinc/11/62/11/1067116211.db2.gz AYOBHLWQLYUXIF-BULFRSBZSA-N 1 0 492.506 4.935 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC001545804808 1067116872 /nfs/dbraw/zinc/11/68/72/1067116872.db2.gz BSMNDEUYTZJQFA-QHCPKHFHSA-N 1 0 494.684 4.752 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)CC[C@@H]1C)[NH+](C)C ZINC001545804850 1067116952 /nfs/dbraw/zinc/11/69/52/1067116952.db2.gz CQJJBKOOWFWLJY-JXQFQVJHSA-N 1 0 457.663 4.954 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001545804992 1067117583 /nfs/dbraw/zinc/11/75/83/1067117583.db2.gz GFBCRLWAGWWGAL-FVJLSDCUSA-N 1 0 479.511 4.895 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+](C)C ZINC001545805028 1067118243 /nfs/dbraw/zinc/11/82/43/1067118243.db2.gz GTGXTTSOJUNEGT-QFIPXVFZSA-N 1 0 457.663 4.714 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(C1)CCOCC2)[NH+](C)C ZINC001545805209 1067118331 /nfs/dbraw/zinc/11/83/31/1067118331.db2.gz JHLWZXLREVTQQN-OFNKIYASSA-N 1 0 487.664 4.931 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001545805303 1067118854 /nfs/dbraw/zinc/11/88/54/1067118854.db2.gz LEMCMNANOIYYLN-HSGJQSDISA-N 1 0 487.664 4.929 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C1CC1)[NH+](C)C ZINC001545805423 1067119638 /nfs/dbraw/zinc/11/96/38/1067119638.db2.gz NAVQFSRUAGCPFW-IBGZPJMESA-N 1 0 452.416 4.812 20 0 JJADRO CC(C)Cc1ccc([C@H](CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)[NH+](C)C)cc1 ZINC001450776879 1067119765 /nfs/dbraw/zinc/11/97/65/1067119765.db2.gz BEDIWGXUMYTDDN-UEWRSKAFSA-N 1 0 459.590 4.668 20 0 JJADRO Cc1nn(-c2ccccc2)c2ncc(C(=O)NC[C@H](c3ccc(CC(C)C)cc3)[NH+](C)C)cc12 ZINC001450780962 1067120236 /nfs/dbraw/zinc/12/02/36/1067120236.db2.gz GSVLVEFEATYTRD-AREMUKBSSA-N 1 0 455.606 4.960 20 0 JJADRO CC(C)Cc1ccc([C@@H](CNC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)[NH+](C)C)cc1 ZINC001450781613 1067120290 /nfs/dbraw/zinc/12/02/90/1067120290.db2.gz IJMYPJFKIZAWOP-HSZRJFAPSA-N 1 0 451.590 4.761 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545805984 1067122098 /nfs/dbraw/zinc/12/20/98/1067122098.db2.gz WJOOLDGRGPPNFQ-OTPAQWSUSA-N 1 0 469.674 4.573 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001545806098 1067122121 /nfs/dbraw/zinc/12/21/21/1067122121.db2.gz ZALRBANLRWBKJG-PWHSHALESA-N 1 0 460.066 4.970 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(F)(F)CC1)[NH+](C)C ZINC001545806086 1067122195 /nfs/dbraw/zinc/12/21/95/1067122195.db2.gz YWTIBHDYWBTFRC-QFIPXVFZSA-N 1 0 471.600 4.937 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cnn(C)c1)[NH+](C)C ZINC001545806114 1067122272 /nfs/dbraw/zinc/12/22/72/1067122272.db2.gz ZHDWDBWLIZUGEA-GCJKJVERSA-N 1 0 483.730 4.868 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cnn(C)c1)[NH+](C)C ZINC001545806113 1067122278 /nfs/dbraw/zinc/12/22/78/1067122278.db2.gz ZHDWDBWLIZUGEA-AVRDEDQJSA-N 1 0 483.730 4.868 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](OC)C1)[NH+](C)C ZINC001545805972 1067122283 /nfs/dbraw/zinc/12/22/83/1067122283.db2.gz WBTFYZABXFHJAS-OFVILXPXSA-N 1 0 464.658 4.783 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001545806099 1067122290 /nfs/dbraw/zinc/12/22/90/1067122290.db2.gz ZALRBANLRWBKJG-YDHSSHFGSA-N 1 0 460.066 4.970 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001450803111 1067123429 /nfs/dbraw/zinc/12/34/29/1067123429.db2.gz OLXWHUWAJYAGJE-HRAATJIYSA-N 1 0 452.565 4.783 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001545807231 1067124093 /nfs/dbraw/zinc/12/40/93/1067124093.db2.gz DOXALHLOSSIKTG-BWKNWUBXSA-N 1 0 483.701 4.605 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1)[NH+](C)C ZINC001545807193 1067124190 /nfs/dbraw/zinc/12/41/90/1067124190.db2.gz CMUYWAPTEIJOKD-RUZDIDTESA-N 1 0 490.700 4.552 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@@H](SC)C1)[NH+]1CCOCC1 ZINC001545807256 1067124919 /nfs/dbraw/zinc/12/49/19/1067124919.db2.gz FBOPCZACAYDQAH-YADHBBJMSA-N 1 0 475.703 4.705 20 0 JJADRO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001450809996 1067125189 /nfs/dbraw/zinc/12/51/89/1067125189.db2.gz YTQNGRLJWCUYJB-DYESRHJHSA-N 1 0 451.567 4.841 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(C)C)C1)[NH+](C)C ZINC001545807347 1067125578 /nfs/dbraw/zinc/12/55/78/1067125578.db2.gz GUKWRMWZIRILDU-FCHUYYIVSA-N 1 0 492.506 4.935 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(C)C)CC1)[NH+](C)C ZINC001545807402 1067126156 /nfs/dbraw/zinc/12/61/56/1067126156.db2.gz HLXUMAULWAGIEN-QHCPKHFHSA-N 1 0 469.674 4.955 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC001545807611 1067127035 /nfs/dbraw/zinc/12/70/35/1067127035.db2.gz LHJRVCUWKMNHQJ-IPJJNNNSSA-N 1 0 457.663 4.811 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCOC2)C1)[NH+](C)C ZINC001545807581 1067127070 /nfs/dbraw/zinc/12/70/70/1067127070.db2.gz KWRDUKXFKMJCOX-QPPBQGQZSA-N 1 0 490.490 4.691 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2OC)CC1)[NH+](C)C ZINC001545807627 1067127560 /nfs/dbraw/zinc/12/75/60/1067127560.db2.gz LNUMOIUYFQZRDY-HSZRJFAPSA-N 1 0 480.657 4.548 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545808410 1067128336 /nfs/dbraw/zinc/12/83/36/1067128336.db2.gz XZSCPIRPTMFLLS-ZTFGCOKTSA-N 1 0 472.987 4.995 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1)[NH+]1CCOCC1 ZINC001545807750 1067128340 /nfs/dbraw/zinc/12/83/40/1067128340.db2.gz NSGCQDOQXHRODZ-QHCPKHFHSA-N 1 0 487.048 4.668 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCCO[C@H](C)C1)[NH+](C)C ZINC001545807781 1067128792 /nfs/dbraw/zinc/12/87/92/1067128792.db2.gz OEJDALOHLOINKI-DYESRHJHSA-N 1 0 478.479 4.689 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001545807872 1067129417 /nfs/dbraw/zinc/12/94/17/1067129417.db2.gz PAYGKZLWWRIODM-XMMPIXPASA-N 1 0 483.060 4.767 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCOC1)[NH+](C)C ZINC001545807933 1067130356 /nfs/dbraw/zinc/13/03/56/1067130356.db2.gz PSSMWJANPQPSEE-IIBYNOLFSA-N 1 0 452.018 4.577 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001545808064 1067131126 /nfs/dbraw/zinc/13/11/26/1067131126.db2.gz RPYSNGLVYKKYRF-VWLOTQADSA-N 1 0 497.728 4.995 20 0 JJADRO C[NH+](C)CC(C)(C)NC(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001450848209 1067131818 /nfs/dbraw/zinc/13/18/18/1067131818.db2.gz DLMWEAPBTVJWKL-UHFFFAOYSA-N 1 0 451.611 4.540 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@H](COC)C1)[NH+](C)C ZINC001545808215 1067132193 /nfs/dbraw/zinc/13/21/93/1067132193.db2.gz UXMKCMJPPUSZKO-RXVVDRJESA-N 1 0 463.070 4.613 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001545808196 1067132252 /nfs/dbraw/zinc/13/22/52/1067132252.db2.gz UMXSRMNSBUQKMG-LLGFUMIMSA-N 1 0 464.054 4.587 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+]1CCOCC1 ZINC001545808353 1067133680 /nfs/dbraw/zinc/13/36/80/1067133680.db2.gz WZRPMRKTNXWCAQ-VOQZNFBZSA-N 1 0 464.029 4.530 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCO[C@@H](C)C1)[NH+](C)C ZINC001545808379 1067134404 /nfs/dbraw/zinc/13/44/04/1067134404.db2.gz XIMDJMIKLKBJDF-HRAATJIYSA-N 1 0 452.018 4.719 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCO[C@@H](C)C1)[NH+](C)C ZINC001545808382 1067134468 /nfs/dbraw/zinc/13/44/68/1067134468.db2.gz XIMDJMIKLKBJDF-KKSFZXQISA-N 1 0 452.018 4.719 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](COC)C1)[NH+]1CCOCC1 ZINC001545809286 1067135629 /nfs/dbraw/zinc/13/56/29/1067135629.db2.gz ACLYBPHNDYINKG-BVAGGSTKSA-N 1 0 483.701 4.643 20 0 JJADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1 ZINC001545809232 1067135651 /nfs/dbraw/zinc/13/56/51/1067135651.db2.gz YPZOHMAPCZJVJL-UHFFFAOYSA-N 1 0 457.983 4.763 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](COC)C1)[NH+]1CCOCC1 ZINC001545809289 1067135681 /nfs/dbraw/zinc/13/56/81/1067135681.db2.gz ACLYBPHNDYINKG-ZEQKJWHPSA-N 1 0 483.701 4.643 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1)[NH+](C)C ZINC001545809453 1067135718 /nfs/dbraw/zinc/13/57/18/1067135718.db2.gz DBGBPZSPSWBUID-NQAVQENRSA-N 1 0 460.066 4.684 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545810125 1067137435 /nfs/dbraw/zinc/13/74/35/1067137435.db2.gz PYYDHBXLZWZNGB-URXFXBBRSA-N 1 0 452.622 4.783 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CC(F)(F)F)[NH+]1CCOCC1 ZINC001545810440 1067138112 /nfs/dbraw/zinc/13/81/12/1067138112.db2.gz WWBJZINWCCJULS-IBGZPJMESA-N 1 0 473.971 4.734 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+](C)C ZINC001545810419 1067138181 /nfs/dbraw/zinc/13/81/81/1067138181.db2.gz WKAPEGHSANWCAR-HXUWFJFHSA-N 1 0 467.580 4.514 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+](C)C ZINC001545810418 1067138282 /nfs/dbraw/zinc/13/82/82/1067138282.db2.gz WKAPEGHSANWCAR-FQEVSTJZSA-N 1 0 467.580 4.514 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001545810498 1067138820 /nfs/dbraw/zinc/13/88/20/1067138820.db2.gz XJGUUTILMVJIPV-IFMALSPDSA-N 1 0 469.703 4.799 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@@H](C(C)C)C1)[NH+](C)C ZINC001545812592 1067141289 /nfs/dbraw/zinc/14/12/89/1067141289.db2.gz QXARJHAWWODCES-ZJSXRUAMSA-N 1 0 493.700 4.524 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCOC(C)(C)[C@H]1C)[NH+](C)C ZINC001545813082 1067141934 /nfs/dbraw/zinc/14/19/34/1067141934.db2.gz ZVULJJOONOXAFG-JPYJTQIMSA-N 1 0 452.647 4.797 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)[NH+](C)C ZINC001545814846 1067143051 /nfs/dbraw/zinc/14/30/51/1067143051.db2.gz IDBSQQPNDNHSPF-AJSBUHFISA-N 1 0 494.055 4.519 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545814982 1067143372 /nfs/dbraw/zinc/14/33/72/1067143372.db2.gz KLQVIDHPQIYXDT-RBZQAINGSA-N 1 0 473.637 4.603 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[C@H]21)[NH+](C)C ZINC001545814904 1067143417 /nfs/dbraw/zinc/14/34/17/1067143417.db2.gz IUCRFCIXESYBCH-ZLNRFVROSA-N 1 0 488.721 4.748 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001545814953 1067143517 /nfs/dbraw/zinc/14/35/17/1067143517.db2.gz JUXNVQOZEGGTDY-TZRRMPRUSA-N 1 0 461.695 4.529 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)[NH+](C)C ZINC001545815178 1067144070 /nfs/dbraw/zinc/14/40/70/1067144070.db2.gz NDCLLUUMDAVXHL-MOXWOTFGSA-N 1 0 472.505 4.559 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccsc1)[NH+](C)C ZINC001545815213 1067144799 /nfs/dbraw/zinc/14/47/99/1067144799.db2.gz NNUCMBWWEWBVSX-REWPJTCUSA-N 1 0 469.655 4.855 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2CC1)[NH+](C)C ZINC001545815371 1067144811 /nfs/dbraw/zinc/14/48/11/1067144811.db2.gz PTJWXOHRFRUCAU-DNQXCXABSA-N 1 0 499.700 4.509 20 0 JJADRO Cc1cccc(-n2c(=O)c3ccccc3nc2SCCCN2CC[NH+](C(C)C)CC2)c1C ZINC001458784067 1067145086 /nfs/dbraw/zinc/14/50/86/1067145086.db2.gz YJMITSAPIZDVCZ-UHFFFAOYSA-N 1 0 450.652 4.511 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001545816042 1067145920 /nfs/dbraw/zinc/14/59/20/1067145920.db2.gz ZHWKDWXPUPHGDB-DHIUTWEWSA-N 1 0 461.601 4.768 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCSC2)C1)[NH+](C)C ZINC001545817195 1067146164 /nfs/dbraw/zinc/14/61/64/1067146164.db2.gz GASGRWLONORTMH-RDGATRHJSA-N 1 0 477.669 4.847 20 0 JJADRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1cc(O)ccc1C(F)(F)F ZINC001451109025 1067146686 /nfs/dbraw/zinc/14/66/86/1067146686.db2.gz JOPJSUVNOYXTGS-JTHBVZDNSA-N 1 0 458.455 4.948 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCCCCCC1)[NH+]1CCOCC1 ZINC001545817171 1067146644 /nfs/dbraw/zinc/14/66/44/1067146644.db2.gz FUUCOGWPXSEFSO-RUZDIDTESA-N 1 0 483.701 4.785 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N(C)[C@@H]1CCc2ccccc21)[NH+]1CCOCC1 ZINC001545817180 1067147469 /nfs/dbraw/zinc/14/74/69/1067147469.db2.gz FXFBLQBHYFHCJY-RPBOFIJWSA-N 1 0 453.675 4.737 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001545817281 1067147992 /nfs/dbraw/zinc/14/79/92/1067147992.db2.gz HMGDBADXXSHVGN-DHIUTWEWSA-N 1 0 492.133 4.601 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)C[C@H]1CC)[NH+]1CCOCC1 ZINC001545817309 1067148624 /nfs/dbraw/zinc/14/86/24/1067148624.db2.gz IBPKTNJMWWECFG-AMDXRBSFSA-N 1 0 471.665 4.770 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1)[NH+](C)C ZINC001545817329 1067148670 /nfs/dbraw/zinc/14/86/70/1067148670.db2.gz IIDSQNHYLKWFPX-HSZRJFAPSA-N 1 0 476.109 4.984 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001545817343 1067148718 /nfs/dbraw/zinc/14/87/18/1067148718.db2.gz INNRXLATJZUGBO-GMAHTHKFSA-N 1 0 465.690 4.755 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cccs2)CC1)[NH+](C)C ZINC001545817431 1067149265 /nfs/dbraw/zinc/14/92/65/1067149265.db2.gz JZMNKGDDQFZBKB-HSZRJFAPSA-N 1 0 484.689 4.763 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@@]2(CCc3ccccc32)C1)[NH+](C)C ZINC001545817579 1067149906 /nfs/dbraw/zinc/14/99/06/1067149906.db2.gz LYALQMSHLWVIOP-IGKIAQTJSA-N 1 0 453.675 4.521 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001545817667 1067150553 /nfs/dbraw/zinc/15/05/53/1067150553.db2.gz NVSPWFRXQKTNJR-AREMUKBSSA-N 1 0 458.654 4.924 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1)[NH+](C)C ZINC001545817588 1067150563 /nfs/dbraw/zinc/15/05/63/1067150563.db2.gz MAWDSZRQWGSJME-QFIPXVFZSA-N 1 0 476.660 4.838 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(C)=C(C)C1)[NH+]1CCOCC1 ZINC001545818124 1067152519 /nfs/dbraw/zinc/15/25/19/1067152519.db2.gz WIVVLNOPXHDEGP-VWLOTQADSA-N 1 0 469.649 4.692 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)[NH+](C)C ZINC001545819142 1067153223 /nfs/dbraw/zinc/15/32/23/1067153223.db2.gz AQXKKJXZTVCSBB-ARMFNRFLSA-N 1 0 483.701 4.846 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H](C)C1)[NH+](C)C ZINC001545819203 1067153612 /nfs/dbraw/zinc/15/36/12/1067153612.db2.gz BNYXKRBDCIFMFS-UMBQZNGKSA-N 1 0 476.710 4.507 20 0 JJADRO CCC(CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2CCCC[C@H]2C1)[NH+](C)C ZINC001545819376 1067154255 /nfs/dbraw/zinc/15/42/55/1067154255.db2.gz DYEYDVDNOTUQOD-FKBYEOEOSA-N 1 0 486.730 4.653 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCOCC1 ZINC001545819394 1067154409 /nfs/dbraw/zinc/15/44/09/1067154409.db2.gz FDEMNPDNVPTIAQ-OFVILXPXSA-N 1 0 487.664 4.760 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001545819612 1067155532 /nfs/dbraw/zinc/15/55/32/1067155532.db2.gz JIFFNDLNACERDA-LAUBAEHRSA-N 1 0 466.095 4.819 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001545820196 1067157774 /nfs/dbraw/zinc/15/77/74/1067157774.db2.gz SEHQGZOMKLINDJ-SKPFHBQLSA-N 1 0 490.092 4.882 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CC[C@H](Cc3ccc(F)cc3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545820498 1067159968 /nfs/dbraw/zinc/15/99/68/1067159968.db2.gz YQAAJDBRDXWQDM-RCZVLFRGSA-N 1 0 485.692 4.921 20 0 JJADRO Cc1sc(Br)nc1C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC001458839992 1067167450 /nfs/dbraw/zinc/16/74/50/1067167450.db2.gz VWGJHBHZQHKUTQ-INIZCTEOSA-N 1 0 458.372 4.838 20 0 JJADRO CCC(CC)c1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[NH+](C(C)C)CC2)on1 ZINC001545825299 1067171594 /nfs/dbraw/zinc/17/15/94/1067171594.db2.gz YSUOSFDODQVROH-UHFFFAOYSA-N 1 0 480.657 4.944 20 0 JJADRO CCC(CC)c1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)on1 ZINC001545826523 1067174545 /nfs/dbraw/zinc/17/45/45/1067174545.db2.gz OWNAUTKKHRDNTK-SFHVURJKSA-N 1 0 487.048 4.981 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001545826714 1067175692 /nfs/dbraw/zinc/17/56/92/1067175692.db2.gz SAGJGAFYHPVKDJ-SFHVURJKSA-N 1 0 490.643 4.937 20 0 JJADRO C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC001458871760 1067180833 /nfs/dbraw/zinc/18/08/33/1067180833.db2.gz CZNOOQQNHWYZPU-GERLKTCDSA-N 1 0 451.577 4.904 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545830409 1067181671 /nfs/dbraw/zinc/18/16/71/1067181671.db2.gz UFQJIHGUOSTEFK-ZZLPTCMGSA-N 1 0 460.711 4.579 20 0 JJADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc3sc(Nc4ccccc4C)nc3s2)CC1 ZINC001451644676 1067182387 /nfs/dbraw/zinc/18/23/87/1067182387.db2.gz PNRZVMMJCXBCTG-UHFFFAOYSA-N 1 0 457.669 4.556 20 0 JJADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001451788334 1067191453 /nfs/dbraw/zinc/19/14/53/1067191453.db2.gz LJWXDCUZXDYPQE-IBGZPJMESA-N 1 0 453.435 4.862 20 0 JJADRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)c2)CC1 ZINC001545838281 1067191445 /nfs/dbraw/zinc/19/14/45/1067191445.db2.gz IZEINKUXZXGKFE-UHFFFAOYSA-N 1 0 458.562 4.566 20 0 JJADRO COc1ccc([C@H](CNC(=O)CSc2ncc(-c3ccccc3)o2)[NH+]2CCCCC2)cc1 ZINC001458915870 1067195324 /nfs/dbraw/zinc/19/53/24/1067195324.db2.gz IDSILTWIIMJHLD-QFIPXVFZSA-N 1 0 451.592 4.786 20 0 JJADRO CCc1nnc(N2CCC[C@H]2c2ccc(OC)cc2OC)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001546510657 1067200435 /nfs/dbraw/zinc/20/04/35/1067200435.db2.gz KAFWTEHXBDBJLC-IMSXRSKXSA-N 1 0 469.674 4.957 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001451950602 1067200631 /nfs/dbraw/zinc/20/06/31/1067200631.db2.gz MHQXZKOWAFRIHZ-KIHHCIJBSA-N 1 0 469.670 4.733 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001545849937 1067204850 /nfs/dbraw/zinc/20/48/50/1067204850.db2.gz WWLYHQASKIVDCQ-HMXCVIKNSA-N 1 0 472.703 4.720 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001546105059 1067205909 /nfs/dbraw/zinc/20/59/09/1067205909.db2.gz SMGTZNILYJYYNM-UHFFFAOYSA-N 1 0 455.647 4.853 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CC=CCC2)C1 ZINC001546105084 1067207499 /nfs/dbraw/zinc/20/74/99/1067207499.db2.gz UHKURCQOEUYVQX-UHFFFAOYSA-N 1 0 458.448 4.986 20 0 JJADRO O=C(CCc1cccc(OCc2ccccc2)c1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001458970748 1067213252 /nfs/dbraw/zinc/21/32/52/1067213252.db2.gz DKELNQQHXAPCMA-NDEPHWFRSA-N 1 0 458.602 4.606 20 0 JJADRO Cc1cc2cc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)oc2c(Br)c1 ZINC001458972864 1067213653 /nfs/dbraw/zinc/21/36/53/1067213653.db2.gz JILIUFDIUVRTMB-LJQANCHMSA-N 1 0 457.368 4.525 20 0 JJADRO CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001546104939 1067220651 /nfs/dbraw/zinc/22/06/51/1067220651.db2.gz OEWDXFPRMSYCNW-YIXXDRMTSA-N 1 0 469.674 4.638 20 0 JJADRO CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001546038697 1067224880 /nfs/dbraw/zinc/22/48/80/1067224880.db2.gz WHAYKVYWUMSWHT-HXUWFJFHSA-N 1 0 488.746 4.666 20 0 JJADRO Cc1cc(Br)cc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1N ZINC001452530368 1067232016 /nfs/dbraw/zinc/23/20/16/1067232016.db2.gz IUGFXYVGNUMMGR-UHFFFAOYSA-N 1 0 456.428 4.858 20 0 JJADRO CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001452532221 1067232085 /nfs/dbraw/zinc/23/20/85/1067232085.db2.gz XNSQYQGQYGDEID-AREMUKBSSA-N 1 0 457.659 4.832 20 0 JJADRO C[C@H]1[C@H](C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CCN1C(=O)OC(C)(C)C ZINC001452530304 1067232105 /nfs/dbraw/zinc/23/21/05/1067232105.db2.gz IKWKJTYVAQOJNU-JTHBVZDNSA-N 1 0 455.643 4.537 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](CO)c2csc(C(C)C)n2)c1 ZINC001452568847 1067235194 /nfs/dbraw/zinc/23/51/94/1067235194.db2.gz SWUFWAILWOLUBT-RBZQAINGSA-N 1 0 463.647 4.640 20 0 JJADRO CC(C)[NH+]1CCN(CCCSc2nc3cc(F)ccc3n2CCOc2ccccc2)CC1 ZINC001459033907 1067235352 /nfs/dbraw/zinc/23/53/52/1067235352.db2.gz BJJTYUBJWJDUHF-UHFFFAOYSA-N 1 0 456.631 4.763 20 0 JJADRO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001546043666 1067249625 /nfs/dbraw/zinc/24/96/25/1067249625.db2.gz ZUKJVXYZGJZBQU-OLKYXYMISA-N 1 0 489.749 4.839 20 0 JJADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001452776635 1067251349 /nfs/dbraw/zinc/25/13/49/1067251349.db2.gz NBMWVSJOUUPQIO-UHFFFAOYSA-N 1 0 452.407 4.550 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546044644 1067254649 /nfs/dbraw/zinc/25/46/49/1067254649.db2.gz DLHLPEMFIQNGFS-RZTXVSJASA-N 1 0 476.065 4.950 20 0 JJADRO CCn1c(SCC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)nnc1-c1ccc(Cl)cc1 ZINC001459258038 1067278260 /nfs/dbraw/zinc/27/82/60/1067278260.db2.gz WVUUVNFHJDWTDL-HRAATJIYSA-N 1 0 458.031 4.518 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001453113393 1067279254 /nfs/dbraw/zinc/27/92/54/1067279254.db2.gz MAOYLZVEPWVXGK-JWQCQUIFSA-N 1 0 481.612 4.945 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CCCC[NH+]2CCCC2)cc1 ZINC001453121584 1067281018 /nfs/dbraw/zinc/28/10/18/1067281018.db2.gz WOULDLVWYYDWLG-ZEQRLZLVSA-N 1 0 473.658 4.561 20 0 JJADRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CC2)c1 ZINC001453139066 1067283252 /nfs/dbraw/zinc/28/32/52/1067283252.db2.gz BPXJJLSZSIRYLB-UHFFFAOYSA-N 1 0 451.954 4.930 20 0 JJADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1NCCc1ccc(Cl)cc1 ZINC001453173332 1067285786 /nfs/dbraw/zinc/28/57/86/1067285786.db2.gz GOXFDOIDWBXKAQ-UHFFFAOYSA-N 1 0 456.030 4.615 20 0 JJADRO CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC001453177688 1067286938 /nfs/dbraw/zinc/28/69/38/1067286938.db2.gz MKWFVBQHQIKRKC-HXUWFJFHSA-N 1 0 458.400 4.566 20 0 JJADRO CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC([NH2+]C(C)C)CC2)O1 ZINC001546049260 1067295328 /nfs/dbraw/zinc/29/53/28/1067295328.db2.gz XREQOHKMGRIWAI-CPJSRVTESA-N 1 0 476.065 4.922 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC([NH2+]C(C)C)CC2)O1 ZINC001546049259 1067295422 /nfs/dbraw/zinc/29/54/22/1067295422.db2.gz XREQOHKMGRIWAI-CJFMBICVSA-N 1 0 476.065 4.922 20 0 JJADRO CCSc1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c(Br)c1 ZINC001459356788 1067302245 /nfs/dbraw/zinc/30/22/45/1067302245.db2.gz LKOFBRDWGZLKBC-UHFFFAOYSA-N 1 0 455.384 4.648 20 0 JJADRO CC[N@H+](Cc1cc(I)cc(I)c1)[C@@H](C)C(C)C ZINC001459383616 1067309552 /nfs/dbraw/zinc/30/95/52/1067309552.db2.gz UGLOXJYFCVMQIX-NSHDSACASA-N 1 0 457.137 4.762 20 0 JJADRO CC[N@H+](Cc1cc(I)cc(I)c1)[C@H](C)C(C)C ZINC001459383613 1067309655 /nfs/dbraw/zinc/30/96/55/1067309655.db2.gz UGLOXJYFCVMQIX-LLVKDONJSA-N 1 0 457.137 4.762 20 0 JJADRO COc1cccc(S(=O)(=O)CC[N@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC001459388300 1067310976 /nfs/dbraw/zinc/31/09/76/1067310976.db2.gz AWLMZMQYLQIKED-SELNLUPBSA-N 1 0 459.608 4.525 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(F)(F)c1cccc(Br)c1 ZINC001459416742 1067318861 /nfs/dbraw/zinc/31/88/61/1067318861.db2.gz NTOQOKHUUZHXHG-IBGZPJMESA-N 1 0 451.355 4.958 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC001459419443 1067319879 /nfs/dbraw/zinc/31/98/79/1067319879.db2.gz ULYOFTCQLDRKQO-QHCPKHFHSA-N 1 0 451.611 4.832 20 0 JJADRO COc1cccc(OC)c1OCCCC[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC001459423286 1067321371 /nfs/dbraw/zinc/32/13/71/1067321371.db2.gz LZYGXXGTDQYUTD-QHCPKHFHSA-N 1 0 458.986 4.964 20 0 JJADRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001459431891 1067324487 /nfs/dbraw/zinc/32/44/87/1067324487.db2.gz HQFNVFDNMPLGBI-QFIPXVFZSA-N 1 0 453.384 4.509 20 0 JJADRO CCOC(=O)C1=C(C[NH2+]C(C)(C)CCc2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459441004 1067325703 /nfs/dbraw/zinc/32/57/03/1067325703.db2.gz UMXZPGHQHWNPKB-QFIPXVFZSA-N 1 0 455.986 4.512 20 0 JJADRO CCS[C@H]1CCCC[N@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)C1 ZINC001459461422 1067330021 /nfs/dbraw/zinc/33/00/21/1067330021.db2.gz DDUVHAHMTLFVDB-UKILVPOCSA-N 1 0 451.636 4.981 20 0 JJADRO CC(C)(C)C1CCC(C[NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC1 ZINC001459474223 1067334405 /nfs/dbraw/zinc/33/44/05/1067334405.db2.gz AZDNJBPYHRDNLP-UHFFFAOYSA-N 1 0 451.449 4.825 20 0 JJADRO O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001453892543 1067334654 /nfs/dbraw/zinc/33/46/54/1067334654.db2.gz RJCLMSRDGIZJLG-DBXWQHBBSA-N 1 0 476.429 4.515 20 0 JJADRO O=C(C[N@@H+](Cc1ccccc1)CC1CCOCC1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459477399 1067334693 /nfs/dbraw/zinc/33/46/93/1067334693.db2.gz HGXBMTHIHYBNDC-UHFFFAOYSA-N 1 0 453.583 4.740 20 0 JJADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC001459481065 1067335827 /nfs/dbraw/zinc/33/58/27/1067335827.db2.gz AMNYWVYAYFTQMH-INIZCTEOSA-N 1 0 450.808 4.810 20 0 JJADRO CCOc1cc(C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)nc2nc(C(F)(F)F)nn21 ZINC001459493030 1067338042 /nfs/dbraw/zinc/33/80/42/1067338042.db2.gz SASPBTGXAUXBFI-UHFFFAOYSA-N 1 0 453.896 4.650 20 0 JJADRO CCC1(CC)CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001546109238 1067339000 /nfs/dbraw/zinc/33/90/00/1067339000.db2.gz XDTCWZQLCPXCDG-UHFFFAOYSA-N 1 0 482.721 4.587 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC001459500387 1067339512 /nfs/dbraw/zinc/33/95/12/1067339512.db2.gz FUBQQNMUKDLVRH-UHFFFAOYSA-N 1 0 459.565 4.915 20 0 JJADRO COc1ccc(CN2CCN(C(=O)C[N@H+](C)[C@H](C)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC001459558611 1067350955 /nfs/dbraw/zinc/35/09/55/1067350955.db2.gz WYJVVBKLEXLHSB-HSZRJFAPSA-N 1 0 457.618 4.699 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561073 1067351999 /nfs/dbraw/zinc/35/19/99/1067351999.db2.gz CEYSZFLXEUSPCS-GMAHTHKFSA-N 1 0 456.428 4.507 20 0 JJADRO CCc1ccc(-c2cc(NC(=O)CN3CC[C@H](C[NH+](CC)CC)C3)n(-c3ccccc3)n2)cc1 ZINC001459569031 1067354408 /nfs/dbraw/zinc/35/44/08/1067354408.db2.gz HMIALSDYUHANCY-HSZRJFAPSA-N 1 0 459.638 4.704 20 0 JJADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC001459582211 1067356300 /nfs/dbraw/zinc/35/63/00/1067356300.db2.gz MPJCRVJWIWUVOX-RDJZCZTQSA-N 1 0 456.484 4.758 20 0 JJADRO C[N@H+](C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC001459580508 1067356510 /nfs/dbraw/zinc/35/65/10/1067356510.db2.gz DMBJAIZLIJIKAV-RDJZCZTQSA-N 1 0 457.434 4.554 20 0 JJADRO O=C(C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21)Nc1ccc(Br)cc1Cl ZINC001459584278 1067357530 /nfs/dbraw/zinc/35/75/30/1067357530.db2.gz RIGCGZPUFSHRMX-HXUWFJFHSA-N 1 0 451.792 4.803 20 0 JJADRO COc1ccc(OC(F)(F)F)c(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)c1 ZINC001459595014 1067359595 /nfs/dbraw/zinc/35/95/95/1067359595.db2.gz PUZMJLIIGGRYKG-UHFFFAOYSA-N 1 0 451.489 4.624 20 0 JJADRO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC001459604569 1067361011 /nfs/dbraw/zinc/36/10/11/1067361011.db2.gz AJWBHFHNGVZOQO-MJGOQNOKSA-N 1 0 456.530 4.631 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)NCc1nc(-c2cccc(F)c2)no1)c1cccc(C(F)(F)F)c1 ZINC001459615428 1067364992 /nfs/dbraw/zinc/36/49/92/1067364992.db2.gz MBUZULRGOFKDFZ-LJQANCHMSA-N 1 0 450.436 4.594 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)NCc1nc(-c2cccc(F)c2)no1)c1cccc(C(F)(F)F)c1 ZINC001459615421 1067365028 /nfs/dbraw/zinc/36/50/28/1067365028.db2.gz MBUZULRGOFKDFZ-IBGZPJMESA-N 1 0 450.436 4.594 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cn1 ZINC001459661881 1067375112 /nfs/dbraw/zinc/37/51/12/1067375112.db2.gz GEBLTRBGGHBORC-CLJLJLNGSA-N 1 0 470.617 4.841 20 0 JJADRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccc(I)cc3)n2)C12CCC2 ZINC001459664825 1067376085 /nfs/dbraw/zinc/37/60/85/1067376085.db2.gz BYFXCWWXEPROHU-MSOLQXFVSA-N 1 0 452.336 4.726 20 0 JJADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666073 1067376877 /nfs/dbraw/zinc/37/68/77/1067376877.db2.gz YJMWYATULWASHF-PKOBYXMFSA-N 1 0 459.999 4.731 20 0 JJADRO COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001459669852 1067378346 /nfs/dbraw/zinc/37/83/46/1067378346.db2.gz KOUAQYMUCLFDCO-QFZRFWILSA-N 1 0 454.611 4.734 20 0 JJADRO COc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001459669857 1067378516 /nfs/dbraw/zinc/37/85/16/1067378516.db2.gz KOUAQYMUCLFDCO-XRODADMRSA-N 1 0 454.611 4.734 20 0 JJADRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccc(C2CCCCC2)cc1 ZINC001459684410 1067382479 /nfs/dbraw/zinc/38/24/79/1067382479.db2.gz MNMPTHSGNOCILV-VWLOTQADSA-N 1 0 450.562 4.775 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@@H](c2ccc(CC(C)C)cc2)C(C)C)NC(=O)N[C@@H]1c1ccco1 ZINC001459685615 1067383160 /nfs/dbraw/zinc/38/31/60/1067383160.db2.gz PHQXOJMHJVRFEE-DNQXCXABSA-N 1 0 453.583 4.636 20 0 JJADRO Cc1ccc(CN(C(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687405 1067383811 /nfs/dbraw/zinc/38/38/11/1067383811.db2.gz PUQMHQVPYDKXRA-BJKOFHAPSA-N 1 0 455.643 4.740 20 0 JJADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC001459705979 1067389358 /nfs/dbraw/zinc/38/93/58/1067389358.db2.gz GOVPVTXJBIUNIR-MRXNPFEDSA-N 1 0 456.425 4.630 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3C)c(OCC)c2)CC1 ZINC001459711264 1067391525 /nfs/dbraw/zinc/39/15/25/1067391525.db2.gz UFMBTNVLEREXRS-UHFFFAOYSA-N 1 0 450.505 4.592 20 0 JJADRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001459717304 1067394107 /nfs/dbraw/zinc/39/41/07/1067394107.db2.gz OBYINZYDCAVRHW-HUVFLSCGSA-N 1 0 458.643 4.938 20 0 JJADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccc2c(c1)CCCC2 ZINC001459724853 1067396841 /nfs/dbraw/zinc/39/68/41/1067396841.db2.gz ZBOIRNSUQKUVPT-XHOYROJHSA-N 1 0 457.659 4.756 20 0 JJADRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001459740675 1067401596 /nfs/dbraw/zinc/40/15/96/1067401596.db2.gz JWNUMCQGQGPZIS-GOSISDBHSA-N 1 0 458.883 4.752 20 0 JJADRO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCC([NH2+]C(C)C)CC1 ZINC001459753485 1067407390 /nfs/dbraw/zinc/40/73/90/1067407390.db2.gz LGSXSTIJCOXIEX-UHFFFAOYSA-N 1 0 457.640 4.610 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[N@H+](Cc3ccccc3)CC3(O)CCCC3)C2)CC1 ZINC001459757873 1067409838 /nfs/dbraw/zinc/40/98/38/1067409838.db2.gz ANLSKMMQYVLXKD-QHCPKHFHSA-N 1 0 458.643 4.600 20 0 JJADRO Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC001459762311 1067412536 /nfs/dbraw/zinc/41/25/36/1067412536.db2.gz IEJJBUTUONQTAJ-ILBGXUMGSA-N 1 0 459.508 4.989 20 0 JJADRO Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(C)(c3cccc(Br)c3)CC2)c1C ZINC001459780477 1067418273 /nfs/dbraw/zinc/41/82/73/1067418273.db2.gz ODEAHRNSYLXVGX-UHFFFAOYSA-N 1 0 458.400 4.768 20 0 JJADRO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C ZINC001459784835 1067420916 /nfs/dbraw/zinc/42/09/16/1067420916.db2.gz GNZKBFIBXFRYAO-KMRXNPHXSA-N 1 0 455.602 4.842 20 0 JJADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001459789199 1067422928 /nfs/dbraw/zinc/42/29/28/1067422928.db2.gz YCGMMHZQSUHQDT-RUZDIDTESA-N 1 0 452.986 4.669 20 0 JJADRO O[C@@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790046 1067423318 /nfs/dbraw/zinc/42/33/18/1067423318.db2.gz ZKKJHUSHDZXZJE-QWHCGFSZSA-N 1 0 454.436 4.800 20 0 JJADRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001459792850 1067425644 /nfs/dbraw/zinc/42/56/44/1067425644.db2.gz WDKWFECZMOBFBV-HXAGEGRHSA-N 1 0 454.634 4.671 20 0 JJADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccc(SC(F)(F)F)c3)C2)cc1 ZINC001459795090 1067427164 /nfs/dbraw/zinc/42/71/64/1067427164.db2.gz JFUSJMRMWYEQEW-GOSISDBHSA-N 1 0 458.571 4.797 20 0 JJADRO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459797029 1067427546 /nfs/dbraw/zinc/42/75/46/1067427546.db2.gz NHFINHHGBRYAPL-CZJMCEMMSA-N 1 0 459.631 4.515 20 0 JJADRO Cn1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccc(OCc3ccccc3)c2)cc1=O ZINC001459795824 1067427638 /nfs/dbraw/zinc/42/76/38/1067427638.db2.gz AKVBOZZVSKUIGU-NDEPHWFRSA-N 1 0 454.570 4.700 20 0 JJADRO C[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459798678 1067428694 /nfs/dbraw/zinc/42/86/94/1067428694.db2.gz UBRDTJBJZASMDX-SJPCQFCGSA-N 1 0 455.571 4.802 20 0 JJADRO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH2+][C@H](CO)C(C)(C)C)cc1 ZINC001459803504 1067430615 /nfs/dbraw/zinc/43/06/15/1067430615.db2.gz HFSCKUHLQVRBJI-CLJLJLNGSA-N 1 0 459.590 4.523 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3cccc(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546112065 1067436459 /nfs/dbraw/zinc/43/64/59/1067436459.db2.gz BJVGWZKFUQHQER-DHIUTWEWSA-N 1 0 469.674 4.681 20 0 JJADRO CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001546112064 1067436482 /nfs/dbraw/zinc/43/64/82/1067436482.db2.gz BJNLEBYQCWEQJS-QFIPXVFZSA-N 1 0 494.709 4.897 20 0 JJADRO CC[N@H+](CCC1CCN(Cc2nc(-c3ccc(Br)s3)no2)CC1)CC1CC1 ZINC001459816845 1067436561 /nfs/dbraw/zinc/43/65/61/1067436561.db2.gz GBPQMVGSVUILPL-UHFFFAOYSA-N 1 0 453.450 4.895 20 0 JJADRO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1C[C@H](O)c1cc(OC)ccc1OC ZINC001459819664 1067437754 /nfs/dbraw/zinc/43/77/54/1067437754.db2.gz IMZBUSQOPPUMEZ-UGKGYDQZSA-N 1 0 452.517 4.747 20 0 JJADRO COC(=O)c1c(NC(=O)C[NH2+][C@H](CC(C)C)c2ccccc2OC)sc2c1CC[C@H](C)C2 ZINC001459819906 1067438364 /nfs/dbraw/zinc/43/83/64/1067438364.db2.gz XEWXWLXPVSTKQC-QFBILLFUSA-N 1 0 458.624 4.984 20 0 JJADRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC001459823447 1067440279 /nfs/dbraw/zinc/44/02/79/1067440279.db2.gz ASXGHUGSXXGTTR-KBPBESRZSA-N 1 0 454.373 4.771 20 0 JJADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2)c1 ZINC001459823870 1067440292 /nfs/dbraw/zinc/44/02/92/1067440292.db2.gz FOYWYMWQJAIPEW-NOZRDPDXSA-N 1 0 457.618 4.867 20 0 JJADRO COc1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001459832135 1067444381 /nfs/dbraw/zinc/44/43/81/1067444381.db2.gz FAAFBHWHRUAIPZ-LAUBAEHRSA-N 1 0 455.986 4.946 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@@H](c2ccccc2C)C2CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459833198 1067444806 /nfs/dbraw/zinc/44/48/06/1067444806.db2.gz JFGCIULODKPBAY-PKTZIBPZSA-N 1 0 453.970 4.560 20 0 JJADRO COc1ccc([C@@H](CCO)[NH2+]C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC001459837639 1067446865 /nfs/dbraw/zinc/44/68/65/1067446865.db2.gz FSQYPVMIJMTUQO-RPWUZVMVSA-N 1 0 456.380 4.871 20 0 JJADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCCO2 ZINC001459837894 1067447610 /nfs/dbraw/zinc/44/76/10/1067447610.db2.gz WNZCCNIOEGBOEZ-UGSOOPFHSA-N 1 0 459.518 4.927 20 0 JJADRO CCCCOc1ccc([C@@H](C)[NH2+]CCN2c3cccc4cccc(c34)S2(=O)=O)cc1OC ZINC001459840653 1067448110 /nfs/dbraw/zinc/44/81/10/1067448110.db2.gz DRDUQJNPYFRGLS-GOSISDBHSA-N 1 0 454.592 4.887 20 0 JJADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001459840781 1067448583 /nfs/dbraw/zinc/44/85/83/1067448583.db2.gz PVUWWYSRUSTZIT-QGZVFWFLSA-N 1 0 453.489 4.507 20 0 JJADRO C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc2c(cc1Br)OCCO2 ZINC001459842704 1067449632 /nfs/dbraw/zinc/44/96/32/1067449632.db2.gz JRIKSJZLEHFSGG-CQSZACIVSA-N 1 0 455.393 4.518 20 0 JJADRO COc1cc([C@@H](C)[NH2+]CCN2c3cccc4cccc(c34)S2(=O)=O)ccc1OCC(C)C ZINC001459843850 1067450617 /nfs/dbraw/zinc/45/06/17/1067450617.db2.gz QZYLCASVGJTHHA-GOSISDBHSA-N 1 0 454.592 4.743 20 0 JJADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)c(OC)c1 ZINC001459846327 1067452050 /nfs/dbraw/zinc/45/20/50/1067452050.db2.gz GTFGDNRULJZYNU-GCJKJVERSA-N 1 0 456.583 4.514 20 0 JJADRO CC[C@@H](C)[C@H]([NH2+]Cc1ccnc(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459847750 1067453139 /nfs/dbraw/zinc/45/31/39/1067453139.db2.gz BNPQWUCIRRBRLX-JPYJTQIMSA-N 1 0 458.444 4.830 20 0 JJADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC001459850802 1067455591 /nfs/dbraw/zinc/45/55/91/1067455591.db2.gz LMYKHSXQFYUWAR-JKSUJKDBSA-N 1 0 459.468 4.906 20 0 JJADRO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)sc(Cl)c1-c1ccccc1 ZINC001459855654 1067458791 /nfs/dbraw/zinc/45/87/91/1067458791.db2.gz YDGYSCMLAGBVSG-AWEZNQCLSA-N 1 0 450.988 4.588 20 0 JJADRO CO[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccc(Br)s1 ZINC001459857158 1067460002 /nfs/dbraw/zinc/46/00/02/1067460002.db2.gz PPVYHNSFBQKDBI-HXUWFJFHSA-N 1 0 451.430 4.746 20 0 JJADRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC1 ZINC001459858930 1067460859 /nfs/dbraw/zinc/46/08/59/1067460859.db2.gz ZMOFAAVZVVSHIX-UHFFFAOYSA-N 1 0 458.393 4.736 20 0 JJADRO Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864751 1067463035 /nfs/dbraw/zinc/46/30/35/1067463035.db2.gz USPGISHZTMQUMX-CVEARBPZSA-N 1 0 458.384 4.643 20 0 JJADRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001459864672 1067463129 /nfs/dbraw/zinc/46/31/29/1067463129.db2.gz BXFFHWMAOONFIB-FQEVSTJZSA-N 1 0 458.436 4.668 20 0 JJADRO Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864755 1067463685 /nfs/dbraw/zinc/46/36/85/1067463685.db2.gz USPGISHZTMQUMX-HZPDHXFCSA-N 1 0 458.384 4.643 20 0 JJADRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001459866203 1067464109 /nfs/dbraw/zinc/46/41/09/1067464109.db2.gz FMCPUKQVRJAUOL-HUUCEWRRSA-N 1 0 454.527 4.584 20 0 JJADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC001459867726 1067465353 /nfs/dbraw/zinc/46/53/53/1067465353.db2.gz LCTRIBBYESUTFB-VGSWGCGISA-N 1 0 459.512 4.674 20 0 JJADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC001459868957 1067465646 /nfs/dbraw/zinc/46/56/46/1067465646.db2.gz RTCBTXGBFPYZGN-MMTVBGGISA-N 1 0 459.565 4.851 20 0 JJADRO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC001459869830 1067466250 /nfs/dbraw/zinc/46/62/50/1067466250.db2.gz MQSVYGILOLWFOH-PXNSSMCTSA-N 1 0 459.468 4.909 20 0 JJADRO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC001459869833 1067466283 /nfs/dbraw/zinc/46/62/83/1067466283.db2.gz MQSVYGILOLWFOH-XLIONFOSSA-N 1 0 459.468 4.909 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1NC(=O)Cc1nc(-c2cccs2)oc1C ZINC001459892273 1067476239 /nfs/dbraw/zinc/47/62/39/1067476239.db2.gz CFCYXBVEGYBTHB-UHFFFAOYSA-N 1 0 455.580 4.700 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546112588 1067478570 /nfs/dbraw/zinc/47/85/70/1067478570.db2.gz XFVQGKDFZNCSFM-NHCUHLMSSA-N 1 0 473.637 4.512 20 0 JJADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)NC(=O)Nc3cccc(C)c3C)s2)cc1 ZINC001459898297 1067478652 /nfs/dbraw/zinc/47/86/52/1067478652.db2.gz CDAZCPAJFAZCHK-MRXNPFEDSA-N 1 0 452.580 4.743 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546112600 1067481373 /nfs/dbraw/zinc/48/13/73/1067481373.db2.gz XPWPSXOZAUJNQE-DHIUTWEWSA-N 1 0 469.674 4.681 20 0 JJADRO COc1ccc(CNC(=O)CC[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)c(OC)c1 ZINC001459905783 1067482473 /nfs/dbraw/zinc/48/24/73/1067482473.db2.gz RGRIORAWVRZFAS-HNNXBMFYSA-N 1 0 457.571 4.632 20 0 JJADRO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001459910505 1067485225 /nfs/dbraw/zinc/48/52/25/1067485225.db2.gz LVKPIGLTVLJPFW-JTQLQIEISA-N 1 0 450.324 4.552 20 0 JJADRO CC[C@H]1CN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001459916558 1067489474 /nfs/dbraw/zinc/48/94/74/1067489474.db2.gz MWSFDZGMZMPVNP-YTMVLYRLSA-N 1 0 459.609 4.970 20 0 JJADRO CC[C@@H]1CN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001459918238 1067490479 /nfs/dbraw/zinc/49/04/79/1067490479.db2.gz XJLAEZCFRCIOFO-DNQXCXABSA-N 1 0 459.556 4.793 20 0 JJADRO COc1ccccc1C[C@@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C(C)C ZINC001459921790 1067492263 /nfs/dbraw/zinc/49/22/63/1067492263.db2.gz IKUQNCNYAMVOFH-OAQYLSRUSA-N 1 0 451.592 4.804 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC001459923552 1067493353 /nfs/dbraw/zinc/49/33/53/1067493353.db2.gz MHPMPRJYOMWXRY-FUHWJXTLSA-N 1 0 453.421 4.986 20 0 JJADRO O=C(CC[NH2+][C@@H](CO)c1cccc(Br)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC001459928330 1067495421 /nfs/dbraw/zinc/49/54/21/1067495421.db2.gz BNIMTPGPOJQFCD-QFIPXVFZSA-N 1 0 455.352 4.893 20 0 JJADRO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[NH2+][C@@H](CO)C3CCCCC3)nc2c1C ZINC001459932873 1067496994 /nfs/dbraw/zinc/49/69/94/1067496994.db2.gz NHNMPQRSZQLQPH-QFIPXVFZSA-N 1 0 451.636 4.977 20 0 JJADRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001459933213 1067497325 /nfs/dbraw/zinc/49/73/25/1067497325.db2.gz JSLJOQAYYWPJHH-OAQYLSRUSA-N 1 0 452.599 4.873 20 0 JJADRO OC[C@@H]([NH2+]C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 ZINC001459933065 1067497497 /nfs/dbraw/zinc/49/74/97/1067497497.db2.gz QRXJYFPSYVXPHO-DHIUTWEWSA-N 1 0 452.422 4.991 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@@H](CN[C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459934879 1067498031 /nfs/dbraw/zinc/49/80/31/1067498031.db2.gz UYKJRROYSQYHQF-ILBGXUMGSA-N 1 0 453.424 4.988 20 0 JJADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001459940254 1067500056 /nfs/dbraw/zinc/50/00/56/1067500056.db2.gz KSFKKDHAFJPIRQ-UHFFFAOYSA-N 1 0 451.258 4.794 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)c1cnn(-c2ccccc2OC)c1CC)c1ccc(Cl)cc1 ZINC001459944981 1067501790 /nfs/dbraw/zinc/50/17/90/1067501790.db2.gz IWRXDLHNTUDAHN-HSZRJFAPSA-N 1 0 455.002 4.910 20 0 JJADRO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2=O)c1 ZINC001459953032 1067505481 /nfs/dbraw/zinc/50/54/81/1067505481.db2.gz NZCWMWVWDDWROH-OAQYLSRUSA-N 1 0 459.606 4.743 20 0 JJADRO FC1(F)Oc2cccc(CC[N@H+](Cc3cccc(Br)c3)C3CCOCC3)c2O1 ZINC001459954439 1067505749 /nfs/dbraw/zinc/50/57/49/1067505749.db2.gz YMVCBPSCXUTCDL-UHFFFAOYSA-N 1 0 454.311 4.994 20 0 JJADRO CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955775 1067506289 /nfs/dbraw/zinc/50/62/89/1067506289.db2.gz VGMBASDGXRCQEL-GOEBONIOSA-N 1 0 452.617 4.638 20 0 JJADRO COc1ccc(C(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC001459958190 1067507154 /nfs/dbraw/zinc/50/71/54/1067507154.db2.gz AWDDDZSKDMYDQS-SHQCIBLASA-N 1 0 458.602 4.910 20 0 JJADRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001459965490 1067510068 /nfs/dbraw/zinc/51/00/68/1067510068.db2.gz IMKBGUJHQYQQBW-VXKWHMMOSA-N 1 0 456.384 4.585 20 0 JJADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)cc2)cc1 ZINC001459967426 1067510371 /nfs/dbraw/zinc/51/03/71/1067510371.db2.gz WSMZJLAWPVKMAS-HXUWFJFHSA-N 1 0 451.489 4.843 20 0 JJADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC001459978261 1067513583 /nfs/dbraw/zinc/51/35/83/1067513583.db2.gz CVTZFERDLZWLPB-GBXCKJPGSA-N 1 0 459.428 4.978 20 0 JJADRO COc1ccc2c(c1)C[C@@H](C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1)O2 ZINC001459978982 1067513960 /nfs/dbraw/zinc/51/39/60/1067513960.db2.gz CPSYWIXCDOHHTO-ZEQRLZLVSA-N 1 0 455.501 4.836 20 0 JJADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC001459979417 1067514421 /nfs/dbraw/zinc/51/44/21/1067514421.db2.gz IFZQHMRCJKROLW-SFHVURJKSA-N 1 0 454.430 4.575 20 0 JJADRO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)c1 ZINC001459984288 1067515655 /nfs/dbraw/zinc/51/56/55/1067515655.db2.gz ASQSFRVBHZVXIL-QFIPXVFZSA-N 1 0 452.352 4.559 20 0 JJADRO CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C(C)(C)C1(C)C ZINC001546113179 1067522028 /nfs/dbraw/zinc/52/20/28/1067522028.db2.gz RHTMCHZALKUYEF-YPAWHYETSA-N 1 0 454.655 4.797 20 0 JJADRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(C)(C)C)cc1 ZINC001460002845 1067522314 /nfs/dbraw/zinc/52/23/14/1067522314.db2.gz FAXCMDQYTMOQHM-MBSDFSHPSA-N 1 0 459.656 4.548 20 0 JJADRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(C)(C)C)cc1 ZINC001460002839 1067522462 /nfs/dbraw/zinc/52/24/62/1067522462.db2.gz FAXCMDQYTMOQHM-FDDCHVKYSA-N 1 0 459.656 4.548 20 0 JJADRO C[C@H]1CN(c2cccc(C[N@H+](C)Cc3cc(Cl)cc(Br)c3)c2)S(=O)(=O)C1 ZINC001460027442 1067533054 /nfs/dbraw/zinc/53/30/54/1067533054.db2.gz YJPYSARYYPIZOO-AWEZNQCLSA-N 1 0 457.821 4.520 20 0 JJADRO C[C@@H]1CN(c2cccc(C[N@H+](C)Cc3cc(Cl)cc(Br)c3)c2)S(=O)(=O)C1 ZINC001460027445 1067533082 /nfs/dbraw/zinc/53/30/82/1067533082.db2.gz YJPYSARYYPIZOO-CQSZACIVSA-N 1 0 457.821 4.520 20 0 JJADRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001460029958 1067533550 /nfs/dbraw/zinc/53/35/50/1067533550.db2.gz ONMFTGHEDVEOBE-UHFFFAOYSA-N 1 0 456.892 4.910 20 0 JJADRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC001460031233 1067534403 /nfs/dbraw/zinc/53/44/03/1067534403.db2.gz YOWNHLUXZVHYIS-YJBOKZPZSA-N 1 0 450.270 4.920 20 0 JJADRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC001460031228 1067534573 /nfs/dbraw/zinc/53/45/73/1067534573.db2.gz YOWNHLUXZVHYIS-CRAIPNDOSA-N 1 0 450.270 4.920 20 0 JJADRO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460066496 1067544119 /nfs/dbraw/zinc/54/41/19/1067544119.db2.gz HZJHNXOVYQQYMD-XMMPIXPASA-N 1 0 451.611 4.615 20 0 JJADRO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001460069438 1067545643 /nfs/dbraw/zinc/54/56/43/1067545643.db2.gz ZKKMJJDNPSJHJU-KBRMVUAJSA-N 1 0 451.652 4.888 20 0 JJADRO FC(F)(F)c1ccc(C[C@@]2([NH2+]Cc3cn4cc(Br)ccc4n3)CCOC2)cc1 ZINC001460075333 1067547146 /nfs/dbraw/zinc/54/71/46/1067547146.db2.gz ZSFAEVWKBYGNIP-IBGZPJMESA-N 1 0 454.290 4.607 20 0 JJADRO CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC001460076156 1067547705 /nfs/dbraw/zinc/54/77/05/1067547705.db2.gz SDORRIUSBWVRKU-SFHVURJKSA-N 1 0 455.521 4.757 20 0 JJADRO COc1ccc(CN2CCCN(C(=O)C[N@H+](CC(C)C)[C@@H](C)c3ccccc3C)CC2)cc1 ZINC001460087702 1067550627 /nfs/dbraw/zinc/55/06/27/1067550627.db2.gz BTSKNOPPBJLJJQ-DEOSSOPVSA-N 1 0 451.655 4.757 20 0 JJADRO COc1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)c(Cl)c1 ZINC001460092693 1067552786 /nfs/dbraw/zinc/55/27/86/1067552786.db2.gz JEMDSPWTHQNVQR-CYBMUJFWSA-N 1 0 452.780 4.504 20 0 JJADRO CCCc1nc(C)c(C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)s1 ZINC001460095419 1067553033 /nfs/dbraw/zinc/55/30/33/1067553033.db2.gz VBFHWSALDIUVIN-CYBMUJFWSA-N 1 0 451.434 4.559 20 0 JJADRO Cc1c(O)ccc2c(C[NH+]3CCC([C@H]4N(C(=O)OC(C)(C)C)CC4(C)C)CC3)cc(=O)oc12 ZINC001460104781 1067555892 /nfs/dbraw/zinc/55/58/92/1067555892.db2.gz JFIGOEVIBBTVQE-HSZRJFAPSA-N 1 0 456.583 4.665 20 0 JJADRO C[C@@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@H+](Cc2ccccc2)C1 ZINC001460116471 1067558613 /nfs/dbraw/zinc/55/86/13/1067558613.db2.gz CGUFRWDMJQDWAD-KRWDZBQOSA-N 1 0 454.368 4.698 20 0 JJADRO COc1cccc(SCC[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)c1 ZINC001460135382 1067562126 /nfs/dbraw/zinc/56/21/26/1067562126.db2.gz NGBFVMOPMVZIRM-QGZVFWFLSA-N 1 0 453.389 4.957 20 0 JJADRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)c1cn(-c2ccccc2)nn1 ZINC001460137387 1067562675 /nfs/dbraw/zinc/56/26/75/1067562675.db2.gz MUCKQPBAYOPOOY-INIZCTEOSA-N 1 0 459.363 4.611 20 0 JJADRO C[C@@](CO)([NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 ZINC001460139253 1067563134 /nfs/dbraw/zinc/56/31/34/1067563134.db2.gz FERCAAJIJHXWGM-QHCPKHFHSA-N 1 0 451.394 4.839 20 0 JJADRO COc1cc(NC(=O)CC[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)cc(OC)c1OC ZINC001460145586 1067564406 /nfs/dbraw/zinc/56/44/06/1067564406.db2.gz OYTAONLEDZNEQF-SFHVURJKSA-N 1 0 450.988 4.561 20 0 JJADRO OC[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001460154618 1067566490 /nfs/dbraw/zinc/56/64/90/1067566490.db2.gz XDTQFGVPFDMJQV-DQEYMECFSA-N 1 0 452.392 4.786 20 0 JJADRO COc1ccc(-c2csc(NC(=O)[C@@H](C)[NH2+][C@H](C)c3ccc(OC)c(OC)c3C)n2)cc1 ZINC001460171833 1067569772 /nfs/dbraw/zinc/56/97/72/1067569772.db2.gz BNRGCUQDQCTNGQ-HZPDHXFCSA-N 1 0 455.580 4.822 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c2ccccc2)cc1 ZINC001460174413 1067570579 /nfs/dbraw/zinc/57/05/79/1067570579.db2.gz IXSNOTVKVNNRIB-DEOSSOPVSA-N 1 0 450.604 4.688 20 0 JJADRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001460181515 1067573042 /nfs/dbraw/zinc/57/30/42/1067573042.db2.gz QDBQHBNRZKURIX-OPAMFIHVSA-N 1 0 455.352 4.892 20 0 JJADRO O=C(CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1)Nc1ccc(Br)cc1F ZINC001460185711 1067574342 /nfs/dbraw/zinc/57/43/42/1067574342.db2.gz NZJDHTILTXOMLJ-XZOQPEGZSA-N 1 0 457.343 4.981 20 0 JJADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001460191936 1067575766 /nfs/dbraw/zinc/57/57/66/1067575766.db2.gz BDZUYZKGMIWCCK-CQSZACIVSA-N 1 0 454.771 4.781 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001460196560 1067576898 /nfs/dbraw/zinc/57/68/98/1067576898.db2.gz ISTAHTVWWJAUNH-RTWAWAEBSA-N 1 0 456.986 4.642 20 0 JJADRO CC(C)C[N@H+](CCCOc1c(Br)cccc1Br)Cc1cnn(C)c1 ZINC001460200762 1067577986 /nfs/dbraw/zinc/57/79/86/1067577986.db2.gz CGHHIBYMHUWPRL-UHFFFAOYSA-N 1 0 459.226 4.872 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001460215865 1067581373 /nfs/dbraw/zinc/58/13/73/1067581373.db2.gz RKOGKNGTNCMZNI-JXFKEZNVSA-N 1 0 453.986 4.919 20 0 JJADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001460217157 1067581694 /nfs/dbraw/zinc/58/16/94/1067581694.db2.gz XPKPXNFCKAXOGO-NZQKXSOJSA-N 1 0 458.647 4.583 20 0 JJADRO COc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217072 1067581764 /nfs/dbraw/zinc/58/17/64/1067581764.db2.gz WYFFXUTWSBSHNO-TZIWHRDSSA-N 1 0 456.587 4.747 20 0 JJADRO COC(=O)[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1Cl ZINC001460220737 1067583091 /nfs/dbraw/zinc/58/30/91/1067583091.db2.gz AEMABEDAORDGFH-ICDZXHCJSA-N 1 0 452.957 4.951 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C[NH+](C)C)CCS1 ZINC001546114913 1067585712 /nfs/dbraw/zinc/58/57/12/1067585712.db2.gz KQLDEODEWYZRHE-UHFFFAOYSA-N 1 0 475.703 4.662 20 0 JJADRO C[C@@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001460237002 1067587231 /nfs/dbraw/zinc/58/72/31/1067587231.db2.gz SUNVSPSFPUDECK-MDASCCDHSA-N 1 0 459.434 4.652 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1c1ccccc1F ZINC001460239098 1067588179 /nfs/dbraw/zinc/58/81/79/1067588179.db2.gz HKOBYQDRKGYFAS-PZJWPPBQSA-N 1 0 461.965 4.800 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC001460238801 1067588231 /nfs/dbraw/zinc/58/82/31/1067588231.db2.gz DUNJYGIZTSQTCH-UTKZUKDTSA-N 1 0 456.986 4.642 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCC[NH+](C)C)CCS1 ZINC001546115155 1067593899 /nfs/dbraw/zinc/59/38/99/1067593899.db2.gz UTYOKXHENYBFAF-LJQANCHMSA-N 1 0 491.771 4.822 20 0 JJADRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269813 1067594191 /nfs/dbraw/zinc/59/41/91/1067594191.db2.gz HBQPFRUQHKDEFF-KAQDMCDHSA-N 1 0 457.659 4.905 20 0 JJADRO C[C@@H]1C[C@@H](C)[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269625 1067594390 /nfs/dbraw/zinc/59/43/90/1067594390.db2.gz GJBMPBXBYPYULM-ZHALLVOQSA-N 1 0 453.023 4.915 20 0 JJADRO Brc1ccccc1C[C@@H]1CCC[N@@H+]1CCCCCn1nnc(-c2ccccc2)n1 ZINC001460271269 1067595042 /nfs/dbraw/zinc/59/50/42/1067595042.db2.gz SDVXJNZHIASXHA-NRFANRHFSA-N 1 0 454.416 4.980 20 0 JJADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC001460273447 1067595371 /nfs/dbraw/zinc/59/53/71/1067595371.db2.gz URSMUTJABWCBJH-YADARESESA-N 1 0 451.636 4.676 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@H]1c1ccc(F)cc1F ZINC001460273430 1067595464 /nfs/dbraw/zinc/59/54/64/1067595464.db2.gz FAPYYZWQRXMGIR-BJKOFHAPSA-N 1 0 480.511 4.974 20 0 JJADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC001460273445 1067595478 /nfs/dbraw/zinc/59/54/78/1067595478.db2.gz URSMUTJABWCBJH-NTKDMRAZSA-N 1 0 451.636 4.676 20 0 JJADRO CC(C)(C)OC(=O)CC1([NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)CCOCC1 ZINC001460275024 1067595801 /nfs/dbraw/zinc/59/58/01/1067595801.db2.gz GTUFUKGCOOSSSR-UHFFFAOYSA-N 1 0 454.567 4.678 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCC2)CCS1 ZINC001546115244 1067597619 /nfs/dbraw/zinc/59/76/19/1067597619.db2.gz XFHANDUTHWTBDD-UHFFFAOYSA-N 1 0 473.687 4.560 20 0 JJADRO Cc1ccc(-c2noc(CCC[NH2+][C@H](CCO)c3cccc(OC(F)(F)F)c3)n2)cc1F ZINC001460289243 1067600020 /nfs/dbraw/zinc/60/00/20/1067600020.db2.gz IWISFHXZNHENQA-LJQANCHMSA-N 1 0 453.436 4.729 20 0 JJADRO O=C(C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1)NCc1ccc(F)cc1 ZINC001460301000 1067601804 /nfs/dbraw/zinc/60/18/04/1067601804.db2.gz KCHVBGWTLRCUAE-QHCPKHFHSA-N 1 0 459.565 4.997 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@@H+]2CC[C@H](Oc3ccccc3)C2)c2ccccc2)cc1 ZINC001460300735 1067601867 /nfs/dbraw/zinc/60/18/67/1067601867.db2.gz YONVYCDMCWZGEG-AHWVRZQESA-N 1 0 450.604 4.558 20 0 JJADRO CC(C)N(C)c1ccc(NC(=O)CC[N@H+](C(C)C)[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC001460302039 1067602426 /nfs/dbraw/zinc/60/24/26/1067602426.db2.gz WVFILKMRTMSREU-DEOSSOPVSA-N 1 0 454.634 4.984 20 0 JJADRO COc1cncc(/C=C\CC[N@H+](Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001460303687 1067602696 /nfs/dbraw/zinc/60/26/96/1067602696.db2.gz GBCFBVHFLSISEL-TWGQIWQCSA-N 1 0 452.599 4.790 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC001460317096 1067606453 /nfs/dbraw/zinc/60/64/53/1067606453.db2.gz JIPJYCDCNULWTC-SLYNCCJLSA-N 1 0 456.986 4.785 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2F)C1 ZINC001460319344 1067607364 /nfs/dbraw/zinc/60/73/64/1067607364.db2.gz VSUPHYVFYDPHCA-MISYRCLQSA-N 1 0 456.599 4.984 20 0 JJADRO Cc1ccc(C)c(-c2cc(NC(=O)CN3CC[N@@H+](C)[C@@H](C(C)(C)C)C3)n(-c3ccccc3)n2)c1 ZINC001460326728 1067608724 /nfs/dbraw/zinc/60/87/24/1067608724.db2.gz CITSLGUVLKNUKB-RUZDIDTESA-N 1 0 459.638 4.757 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC001460327865 1067609480 /nfs/dbraw/zinc/60/94/80/1067609480.db2.gz YVWXQIXKLUKATP-RPBOFIJWSA-N 1 0 451.630 4.844 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCCc2cccc(C(F)(F)F)n2)c1 ZINC001460333179 1067610436 /nfs/dbraw/zinc/61/04/36/1067610436.db2.gz OPYXWKQVSXSOBL-BJKOFHAPSA-N 1 0 467.535 4.983 20 0 JJADRO CC[NH+]1CCC(NC(=O)COc2ccc3ccccc3c2Br)(C(F)(F)F)CC1 ZINC001460345563 1067613448 /nfs/dbraw/zinc/61/34/48/1067613448.db2.gz MHRVPVVZSOWOQU-UHFFFAOYSA-N 1 0 459.306 4.514 20 0 JJADRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001460356855 1067616453 /nfs/dbraw/zinc/61/64/53/1067616453.db2.gz RWUMKSZJGQEJKU-PKTZIBPZSA-N 1 0 458.606 4.611 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C12CCCC2 ZINC001460359293 1067617924 /nfs/dbraw/zinc/61/79/24/1067617924.db2.gz BROIXWRSKDYJBB-QGZVFWFLSA-N 1 0 453.377 4.590 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC001460366878 1067619474 /nfs/dbraw/zinc/61/94/74/1067619474.db2.gz MPAJIZHOILJCKR-POAQFYNOSA-N 1 0 456.599 4.841 20 0 JJADRO CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001460380654 1067622586 /nfs/dbraw/zinc/62/25/86/1067622586.db2.gz MJDJAMSPPSOPGC-UHFFFAOYSA-N 1 0 455.602 4.650 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CCOc2ccccc2OC)cc1F ZINC001460388659 1067624286 /nfs/dbraw/zinc/62/42/86/1067624286.db2.gz HXLSJTXBKUSUED-FPOVZHCZSA-N 1 0 474.573 4.605 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC001460388474 1067624294 /nfs/dbraw/zinc/62/42/94/1067624294.db2.gz IIXUKPWVONIJOM-ZEQRLZLVSA-N 1 0 454.615 4.890 20 0 JJADRO COC(=O)c1oc([C@H](C)[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1C ZINC001460389281 1067624487 /nfs/dbraw/zinc/62/44/87/1067624487.db2.gz JYFOVQMIEZVCIY-PWIZWCRZSA-N 1 0 460.546 4.958 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccc3c[nH]nc3c2)cc1F ZINC001460391713 1067624970 /nfs/dbraw/zinc/62/49/70/1067624970.db2.gz OMUILIKJXRUKSE-UGKGYDQZSA-N 1 0 454.546 4.593 20 0 JJADRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001460394883 1067625766 /nfs/dbraw/zinc/62/57/66/1067625766.db2.gz ZEGLJAQHLIFWRU-DHIUTWEWSA-N 1 0 471.573 4.546 20 0 JJADRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)Cc1cccc(OCCCOc2ccccc2)c1 ZINC001460399237 1067626902 /nfs/dbraw/zinc/62/69/02/1067626902.db2.gz CZOXSVLAEWZPRH-RUZDIDTESA-N 1 0 458.602 4.987 20 0 JJADRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)Cc1cccc(OCCCOc2ccccc2)c1 ZINC001460399241 1067626999 /nfs/dbraw/zinc/62/69/99/1067626999.db2.gz CZOXSVLAEWZPRH-VWLOTQADSA-N 1 0 458.602 4.987 20 0 JJADRO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@]3(C)Cc3ccccc3Cl)cc2)C[C@H](C)O1 ZINC001460404162 1067627692 /nfs/dbraw/zinc/62/76/92/1067627692.db2.gz NEGRECBEWPAIFM-UNVFRBQDSA-N 1 0 456.030 4.989 20 0 JJADRO Cc1ccc(NC(=O)CC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cc1F ZINC001460405671 1067628104 /nfs/dbraw/zinc/62/81/04/1067628104.db2.gz HVQUQWWQSDBGKY-FYYLOGMGSA-N 1 0 473.564 4.985 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](Cc3nc(CCc4ccccc4)no3)C2)CC1 ZINC001460406033 1067628159 /nfs/dbraw/zinc/62/81/59/1067628159.db2.gz BBCDHOWXUYSKBS-QFIPXVFZSA-N 1 0 454.615 4.714 20 0 JJADRO CC1CCC(N(C(=O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C2CC2)CC1 ZINC001460405361 1067628297 /nfs/dbraw/zinc/62/82/97/1067628297.db2.gz HJBYUCPKBVPAHQ-KQSOVEGDSA-N 1 0 469.670 4.939 20 0 JJADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001460408793 1067629139 /nfs/dbraw/zinc/62/91/39/1067629139.db2.gz XDCQOVMBWOKVOW-RBBKRZOGSA-N 1 0 459.428 4.883 20 0 JJADRO CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001460413813 1067630722 /nfs/dbraw/zinc/63/07/22/1067630722.db2.gz XUEUCYGIYROPEX-QPPBQGQZSA-N 1 0 459.512 4.780 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC001460421239 1067632270 /nfs/dbraw/zinc/63/22/70/1067632270.db2.gz WKMCHPMYJYZNDJ-DAYGRLMNSA-N 1 0 480.285 4.852 20 0 JJADRO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001460439939 1067635361 /nfs/dbraw/zinc/63/53/61/1067635361.db2.gz IUQZUJDNAXUQAE-HSZRJFAPSA-N 1 0 459.631 4.613 20 0 JJADRO O=C(N1CCC[C@H](C2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C1)C(F)(F)F ZINC001460451651 1067637111 /nfs/dbraw/zinc/63/71/11/1067637111.db2.gz SQJGILCPVSAWCF-KRWDZBQOSA-N 1 0 452.439 4.641 20 0 JJADRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2Br)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001460454286 1067637601 /nfs/dbraw/zinc/63/76/01/1067637601.db2.gz MBBMYEPWBHTMPZ-AHRSYUTCSA-N 1 0 455.437 4.888 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512680 1067647123 /nfs/dbraw/zinc/64/71/23/1067647123.db2.gz VOJIZTAJIHLXBH-LJQANCHMSA-N 1 0 452.824 4.991 20 0 JJADRO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001460538517 1067653123 /nfs/dbraw/zinc/65/31/23/1067653123.db2.gz NIXSDIVLIZXMDG-YJBOKZPZSA-N 1 0 452.348 4.615 20 0 JJADRO Cc1cccc(C[C@]2(C)CCC[N@@H+]2CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 ZINC001460563721 1067656374 /nfs/dbraw/zinc/65/63/74/1067656374.db2.gz ZHQSTQHKTUIJCX-QPPBQGQZSA-N 1 0 459.512 4.698 20 0 JJADRO C[N@H+](CCCN1c2ccccc2Sc2ccccc21)CC(=O)NC(=O)NC1CCCCC1 ZINC001460574301 1067659182 /nfs/dbraw/zinc/65/91/82/1067659182.db2.gz VWKOLDRNAYRYGR-UHFFFAOYSA-N 1 0 452.624 4.770 20 0 JJADRO CCOC(=O)c1c(CN2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)occ1C(F)(F)F ZINC001460634008 1067679579 /nfs/dbraw/zinc/67/95/79/1067679579.db2.gz BJUMNUSOEBJTAM-DHIUTWEWSA-N 1 0 450.501 4.819 20 0 JJADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)c1 ZINC001460649828 1067686789 /nfs/dbraw/zinc/68/67/89/1067686789.db2.gz DAADJZLBXMBVLU-UHFFFAOYSA-N 1 0 453.546 4.829 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c2ccccc2)cc1 ZINC001460654458 1067688871 /nfs/dbraw/zinc/68/88/71/1067688871.db2.gz VXOSNNRQKNUDDV-AOYPEHQESA-N 1 0 456.652 4.828 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)C1 ZINC001460663915 1067692582 /nfs/dbraw/zinc/69/25/82/1067692582.db2.gz GQYSEZGLZQAOII-NJDAHSKKSA-N 1 0 451.652 4.745 20 0 JJADRO CCn1nc(C(F)(F)F)c(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C(F)F ZINC001460680009 1067699210 /nfs/dbraw/zinc/69/92/10/1067699210.db2.gz ITFWYYNVSHPARH-INIZCTEOSA-N 1 0 458.475 4.892 20 0 JJADRO C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460703595 1067704834 /nfs/dbraw/zinc/70/48/34/1067704834.db2.gz CGUAISRLWDXDOQ-FQEVSTJZSA-N 1 0 458.021 4.861 20 0 JJADRO CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460708700 1067705680 /nfs/dbraw/zinc/70/56/80/1067705680.db2.gz NOQWQFMXOANLTH-RUZDIDTESA-N 1 0 456.030 4.619 20 0 JJADRO C[C@H](CSc1ccccc1)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460708451 1067705827 /nfs/dbraw/zinc/70/58/27/1067705827.db2.gz MCMPXDRCIWYUOX-HXUWFJFHSA-N 1 0 458.071 4.881 20 0 JJADRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+](Cc1ccc(SC)c(OC)c1)C(C)C ZINC001460713443 1067706794 /nfs/dbraw/zinc/70/67/94/1067706794.db2.gz OSHGDCAAPCYEME-OAHLLOKOSA-N 1 0 450.626 4.811 20 0 JJADRO CC(C)(C)Oc1cccc(C(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC001460711416 1067706849 /nfs/dbraw/zinc/70/68/49/1067706849.db2.gz UONHAZBHPNKSOL-UHFFFAOYSA-N 1 0 456.030 4.944 20 0 JJADRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001460719440 1067708722 /nfs/dbraw/zinc/70/87/22/1067708722.db2.gz OGUHHLWQVOORJF-SANMLTNESA-N 1 0 459.638 4.723 20 0 JJADRO COC(=O)c1coc(/C=C/C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001460729736 1067711321 /nfs/dbraw/zinc/71/13/21/1067711321.db2.gz UQFFSTPNLRYDMZ-CJZRDCOESA-N 1 0 450.579 4.763 20 0 JJADRO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C3)c2cc1C ZINC001460750874 1067715979 /nfs/dbraw/zinc/71/59/79/1067715979.db2.gz XNBLIIBUTMSTPN-AEFFLSMTSA-N 1 0 454.489 4.545 20 0 JJADRO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C3)c2cc1C ZINC001460750881 1067716165 /nfs/dbraw/zinc/71/61/65/1067716165.db2.gz XNBLIIBUTMSTPN-SJLPKXTDSA-N 1 0 454.489 4.545 20 0 JJADRO CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460752417 1067716557 /nfs/dbraw/zinc/71/65/57/1067716557.db2.gz DKWMODVKYLIEPV-OTYNDTSQSA-N 1 0 451.652 4.886 20 0 JJADRO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779785 1067721969 /nfs/dbraw/zinc/72/19/69/1067721969.db2.gz YTXIAMSDZBSCCE-LGVUCKNBSA-N 1 0 455.643 4.856 20 0 JJADRO Cc1cc(Cl)c(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Br ZINC001460780644 1067722480 /nfs/dbraw/zinc/72/24/80/1067722480.db2.gz DZICGSISHGPRER-CVEARBPZSA-N 1 0 453.812 4.597 20 0 JJADRO COc1ccc(CCNC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(SC(F)(F)F)c2)cc1OC ZINC001460801825 1067726943 /nfs/dbraw/zinc/72/69/43/1067726943.db2.gz BCSOXUWRBLHFRG-GJZGRUSLSA-N 1 0 456.530 4.714 20 0 JJADRO CC(C)(C)OC(=O)C1CCC(O)(C[NH+]2CCC(c3nc(-c4ccncc4)cs3)CC2)CC1 ZINC001460807060 1067727800 /nfs/dbraw/zinc/72/78/00/1067727800.db2.gz MHVDWWDDYNWVJK-UHFFFAOYSA-N 1 0 457.640 4.648 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@]2(C)CCOc3ccccc32)cc1 ZINC001460826323 1067730510 /nfs/dbraw/zinc/73/05/10/1067730510.db2.gz ZBZFROHQFWHRHS-HHHXNRCGSA-N 1 0 459.546 4.564 20 0 JJADRO Cc1cc2oc(=O)cc(C[N@H+](C)C3(CNC(=O)OC(C)(C)C)CCOCC3)c2cc1C(C)C ZINC001460853106 1067734644 /nfs/dbraw/zinc/73/46/44/1067734644.db2.gz MVFNWPJKTPPZOA-UHFFFAOYSA-N 1 0 458.599 4.731 20 0 JJADRO CC(C)(C)OC(=O)NCC1([C@H]2CCCC[N@@H+]2Cc2cccc(CN3CCOCC3)c2)CCC1 ZINC001460851435 1067734777 /nfs/dbraw/zinc/73/47/77/1067734777.db2.gz VEAZFDXEWCTNPT-XMMPIXPASA-N 1 0 457.659 4.568 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001460854575 1067735106 /nfs/dbraw/zinc/73/51/06/1067735106.db2.gz IMBKACHLAXAIHX-UHFFFAOYSA-N 1 0 456.940 4.560 20 0 JJADRO CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001460854273 1067735184 /nfs/dbraw/zinc/73/51/84/1067735184.db2.gz BVDXMSAWTWFMAB-XMMPIXPASA-N 1 0 459.675 4.540 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC001460857234 1067735454 /nfs/dbraw/zinc/73/54/54/1067735454.db2.gz XCYIKJFVXBTWQY-INIZCTEOSA-N 1 0 457.537 4.761 20 0 JJADRO Cc1noc(C[C@@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4ccc(Br)cc4)cc3)C2)n1 ZINC001460857082 1067735581 /nfs/dbraw/zinc/73/55/81/1067735581.db2.gz MBVZJRNNSAKGNY-JTSKRJEESA-N 1 0 456.384 4.796 20 0 JJADRO COC(=O)c1csc(C[N@@H+]2CCC[C@]2(C)Cc2ccc(I)cc2)c1 ZINC001460869677 1067738750 /nfs/dbraw/zinc/73/87/50/1067738750.db2.gz IINFYKNREQNHOC-LJQANCHMSA-N 1 0 455.361 4.737 20 0 JJADRO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001460871516 1067739453 /nfs/dbraw/zinc/73/94/53/1067739453.db2.gz PEXXLDXAUULOTN-OPAMFIHVSA-N 1 0 458.521 4.596 20 0 JJADRO Cc1ccc(S(=O)(=O)c2ccc(CN3CC[C@H](CCNC(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001460881994 1067741911 /nfs/dbraw/zinc/74/19/11/1067741911.db2.gz OQUCIKIFSXAPKQ-NRFANRHFSA-N 1 0 458.624 4.565 20 0 JJADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC001460889572 1067743803 /nfs/dbraw/zinc/74/38/03/1067743803.db2.gz SZTUEISYUOOTHT-TWXAQOBRSA-N 1 0 451.611 4.594 20 0 JJADRO CCCCC1([NH2+]Cc2cc(I)cc(I)c2)CC1 ZINC001460915793 1067747318 /nfs/dbraw/zinc/74/73/18/1067747318.db2.gz GMGZCXQAHVCFTE-UHFFFAOYSA-N 1 0 455.121 4.708 20 0 JJADRO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH2+][C@H](C)Cc1cccnc1 ZINC001460928571 1067750053 /nfs/dbraw/zinc/75/00/53/1067750053.db2.gz HCLUCXUFSHTMAT-OAHLLOKOSA-N 1 0 457.983 4.800 20 0 JJADRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@H]1C ZINC001460936878 1067750962 /nfs/dbraw/zinc/75/09/62/1067750962.db2.gz HTWIYIBXTSPYQT-FDUPRNSESA-N 1 0 454.636 4.520 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001460948325 1067752421 /nfs/dbraw/zinc/75/24/21/1067752421.db2.gz NFUARTIUZCWJPO-CJFMBICVSA-N 1 0 451.652 4.889 20 0 JJADRO Cn1ccnc1COc1ccc(C[N@@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001460952264 1067752703 /nfs/dbraw/zinc/75/27/03/1067752703.db2.gz UIMVQDSBVTUMPP-AREMUKBSSA-N 1 0 454.615 4.755 20 0 JJADRO CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460953657 1067753159 /nfs/dbraw/zinc/75/31/59/1067753159.db2.gz ZDJVEWAWKIADHP-OAHLLOKOSA-N 1 0 458.430 4.892 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]12C[N@H+](CCOc3ccccc3Br)C[C@@H]1CCCC2 ZINC001460969501 1067754540 /nfs/dbraw/zinc/75/45/40/1067754540.db2.gz CYWXAMMFCIAHPN-HTAPYJJXSA-N 1 0 453.421 4.845 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]12C[N@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@H]1CCCC2 ZINC001460970049 1067754571 /nfs/dbraw/zinc/75/45/71/1067754571.db2.gz GOKZMVCGFOAKRL-IVZQSRNASA-N 1 0 456.414 4.949 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(Br)c2cc(C)oc21 ZINC001460982389 1067756464 /nfs/dbraw/zinc/75/64/64/1067756464.db2.gz LCINRUAAWBBOOK-XMSQKQJNSA-N 1 0 471.395 4.771 20 0 JJADRO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460983203 1067756791 /nfs/dbraw/zinc/75/67/91/1067756791.db2.gz UZHOINNSUQTIDM-IAGOWNOFSA-N 1 0 451.558 4.699 20 0 JJADRO Cc1ccc([C@H](NC(=O)C[NH2+][C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)C2CC2)cc1 ZINC001460985054 1067757319 /nfs/dbraw/zinc/75/73/19/1067757319.db2.gz ZVJMYAADNHGPMP-GNLZIIPMSA-N 1 0 455.643 4.576 20 0 JJADRO CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989525 1067758339 /nfs/dbraw/zinc/75/83/39/1067758339.db2.gz WWIDBGXIGHBQJW-WBVHZDCISA-N 1 0 458.430 4.892 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC001460995502 1067759790 /nfs/dbraw/zinc/75/97/90/1067759790.db2.gz QFOOGCCTYHBRHE-XMMPIXPASA-N 1 0 456.993 4.504 20 0 JJADRO Fc1ccc(I)c(F)c1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001461004688 1067761002 /nfs/dbraw/zinc/76/10/02/1067761002.db2.gz JUMWAAMWFAJLAO-UHFFFAOYSA-N 1 0 456.318 4.845 20 0 JJADRO O[C@H](C[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)COc1ccccc1 ZINC001461020406 1067763325 /nfs/dbraw/zinc/76/33/25/1067763325.db2.gz ZPOKOVZQGTXGLZ-LJQANCHMSA-N 1 0 459.443 4.689 20 0 JJADRO FC(F)(F)c1cccc(N2CCN(CCC[NH2+]Cc3ccc(Br)cc3)CC2)c1 ZINC001461030684 1067765478 /nfs/dbraw/zinc/76/54/78/1067765478.db2.gz QBVYUADLWIWHKB-UHFFFAOYSA-N 1 0 456.350 4.770 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+](C)C2CCCC2)CCS1 ZINC001546121330 1067775699 /nfs/dbraw/zinc/77/56/99/1067775699.db2.gz UASLKFVGZHINSB-UHFFFAOYSA-N 1 0 475.678 4.983 20 0 JJADRO O=C(c1ccc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)cc1)N1CCCC1 ZINC001461084775 1067778390 /nfs/dbraw/zinc/77/83/90/1067778390.db2.gz DHFRURFZMSFYSC-UHFFFAOYSA-N 1 0 457.412 4.523 20 0 JJADRO Brc1ccc(CNc2ccc(CC[NH+]3CCCCC3)cc2)c(N2CCOCC2)c1 ZINC001461087840 1067779580 /nfs/dbraw/zinc/77/95/80/1067779580.db2.gz NSPQEKUDEMPTLG-UHFFFAOYSA-N 1 0 458.444 4.926 20 0 JJADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001461090111 1067780337 /nfs/dbraw/zinc/78/03/37/1067780337.db2.gz WMWMAPBNOFHXLG-SIKLNZKXSA-N 1 0 459.631 4.710 20 0 JJADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC001461097602 1067781311 /nfs/dbraw/zinc/78/13/11/1067781311.db2.gz UXYSWPBASWUTCL-KRWDZBQOSA-N 1 0 457.855 4.522 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001461122693 1067785629 /nfs/dbraw/zinc/78/56/29/1067785629.db2.gz ULMVIBSSBICBFS-OAQYLSRUSA-N 1 0 453.428 4.945 20 0 JJADRO CCCC[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461132979 1067787310 /nfs/dbraw/zinc/78/73/10/1067787310.db2.gz SNSKEYVDPXOPNI-HSZRJFAPSA-N 1 0 450.558 4.967 20 0 JJADRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC001461143150 1067788208 /nfs/dbraw/zinc/78/82/08/1067788208.db2.gz ZUZJBIZURPWPET-GOSISDBHSA-N 1 0 455.400 4.568 20 0 JJADRO O=C1OCCN1CCC[NH2+]Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 ZINC001461141142 1067788250 /nfs/dbraw/zinc/78/82/50/1067788250.db2.gz SQYGLJKCUUIFLJ-UHFFFAOYSA-N 1 0 457.727 4.966 20 0 JJADRO CC[C@@H](C)[C@H]([NH2+]Cc1cncc(Br)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146345 1067788970 /nfs/dbraw/zinc/78/89/70/1067788970.db2.gz CQWLLEICBNJCHE-ZHRRBRCNSA-N 1 0 459.432 4.896 20 0 JJADRO CC(=O)N1CCC([NH2+]Cc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2)CC1 ZINC001461159830 1067790943 /nfs/dbraw/zinc/79/09/43/1067790943.db2.gz KUQQYCYMOHSULA-UHFFFAOYSA-N 1 0 451.394 4.942 20 0 JJADRO O=S(=O)(CCC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccccc1 ZINC001461168102 1067792071 /nfs/dbraw/zinc/79/20/71/1067792071.db2.gz NQTSFOOAIKYYMH-QGZVFWFLSA-N 1 0 455.420 4.512 20 0 JJADRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001461188764 1067795693 /nfs/dbraw/zinc/79/56/93/1067795693.db2.gz CFLNSWIIJWHVEM-INIZCTEOSA-N 1 0 451.394 4.688 20 0 JJADRO COC(=O)c1cc(C[NH2+][C@H](c2ccccc2)c2ccc(OC)c(Br)c2)n(C)c1C ZINC001461190075 1067796017 /nfs/dbraw/zinc/79/60/17/1067796017.db2.gz NTDGKTLJDUWBIC-JOCHJYFZSA-N 1 0 457.368 4.770 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C1CCCCC1 ZINC001461194337 1067796818 /nfs/dbraw/zinc/79/68/18/1067796818.db2.gz GCRBKQBMHOPBSJ-QHCPKHFHSA-N 1 0 455.599 4.935 20 0 JJADRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461194838 1067797122 /nfs/dbraw/zinc/79/71/22/1067797122.db2.gz WIWRBIVNCDCZRM-FUBOCBINSA-N 1 0 497.705 4.867 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)C1CCCCC1 ZINC001461197921 1067797528 /nfs/dbraw/zinc/79/75/28/1067797528.db2.gz ZESOJKQCUQYVKE-IBGZPJMESA-N 1 0 451.974 4.623 20 0 JJADRO CC(C)[C@H](C[NH2+]Cc1cc(Br)sc1Br)NC(=O)OC(C)(C)C ZINC001461199458 1067797892 /nfs/dbraw/zinc/79/78/92/1067797892.db2.gz XTEBOXPTEJQGGY-NSHDSACASA-N 1 0 456.244 4.912 20 0 JJADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001461202140 1067798698 /nfs/dbraw/zinc/79/86/98/1067798698.db2.gz JZTIJDWZGTVNNV-UHFFFAOYSA-N 1 0 454.409 4.512 20 0 JJADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001461205902 1067799377 /nfs/dbraw/zinc/79/93/77/1067799377.db2.gz ZKILAUASZUNQFE-SJORKVTESA-N 1 0 454.409 4.512 20 0 JJADRO OC[C@@H]([NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)C1CC1 ZINC001461214108 1067800334 /nfs/dbraw/zinc/80/03/34/1067800334.db2.gz JBIOIKPLIQSBNY-GOSISDBHSA-N 1 0 455.190 4.651 20 0 JJADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC001461215390 1067801023 /nfs/dbraw/zinc/80/10/23/1067801023.db2.gz HRSDCXLYTFPOBW-AWEZNQCLSA-N 1 0 453.306 4.723 20 0 JJADRO Fc1ccccc1-c1n[nH]cc1C[NH2+]CCSCCOc1cccc(Br)c1 ZINC001461221070 1067802660 /nfs/dbraw/zinc/80/26/60/1067802660.db2.gz VCQPICAYGCUYIV-UHFFFAOYSA-N 1 0 450.377 4.880 20 0 JJADRO CCCC(O)(CCC)C[NH2+]Cc1cc(I)c(Br)cc1F ZINC001461223519 1067803519 /nfs/dbraw/zinc/80/35/19/1067803519.db2.gz DZBIYYNQPVPVPH-UHFFFAOYSA-N 1 0 458.153 4.614 20 0 JJADRO CN(C)[C@H](C[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1c(F)cccc1F ZINC001461223905 1067803573 /nfs/dbraw/zinc/80/35/73/1067803573.db2.gz RBFDDKBQWZHQCX-LJQANCHMSA-N 1 0 451.583 4.712 20 0 JJADRO FC(F)(F)c1cnc(OCC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)c(Cl)c1 ZINC001461233695 1067805982 /nfs/dbraw/zinc/80/59/82/1067805982.db2.gz RKFRTRYCJOTDLW-UHFFFAOYSA-N 1 0 457.861 4.775 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001461239575 1067807463 /nfs/dbraw/zinc/80/74/63/1067807463.db2.gz REYVNTCNJGJYDW-RBZFPXEDSA-N 1 0 452.755 4.947 20 0 JJADRO C[C@@H](C[NH2+]Cc1ccc(I)s1)Oc1ccc(Br)cc1 ZINC001461239258 1067807481 /nfs/dbraw/zinc/80/74/81/1067807481.db2.gz OTPUXQHNNXYLMR-JTQLQIEISA-N 1 0 452.155 4.672 20 0 JJADRO C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)Oc1cccc(Br)c1 ZINC001461258936 1067812424 /nfs/dbraw/zinc/81/24/24/1067812424.db2.gz GRSZJGGCZIHLLF-OAHLLOKOSA-N 1 0 451.792 4.764 20 0 JJADRO C[C@@H]1C[C@@H](NCc2c(F)ccc(I)c2F)CC[N@@H+]1Cc1ccccc1 ZINC001461262417 1067813518 /nfs/dbraw/zinc/81/35/18/1067813518.db2.gz GZUUZYHNIHAHJJ-ZBFHGGJFSA-N 1 0 456.318 4.712 20 0 JJADRO Cc1cc(Br)c(C[NH2+]CCCNC(=O)c2ccccc2F)cc1Br ZINC001461263683 1067813567 /nfs/dbraw/zinc/81/35/67/1067813567.db2.gz LGTWRFZOTJDWLK-UHFFFAOYSA-N 1 0 458.169 4.569 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]Cc2cnc3ccc(Br)cn23)cc1 ZINC001461286002 1067818130 /nfs/dbraw/zinc/81/81/30/1067818130.db2.gz SOVRIIDBTCVEJR-HNNXBMFYSA-N 1 0 459.388 4.972 20 0 JJADRO CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001461298902 1067821972 /nfs/dbraw/zinc/82/19/72/1067821972.db2.gz GPOZPWLIIMTOLS-UHOSZYNNSA-N 1 0 450.608 4.890 20 0 JJADRO COC(=O)[C@@]1(NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC001461308348 1067825101 /nfs/dbraw/zinc/82/51/01/1067825101.db2.gz XFKJWNIJKSKHET-JYFHCDHNSA-N 1 0 457.014 4.794 20 0 JJADRO COc1cc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461316821 1067826855 /nfs/dbraw/zinc/82/68/55/1067826855.db2.gz JZYXWMMOVOBVPB-KDYSTLNUSA-N 1 0 454.655 4.997 20 0 JJADRO O=C(N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326400 1067829062 /nfs/dbraw/zinc/82/90/62/1067829062.db2.gz AGVFAPBRFLQQTN-UXHICEINSA-N 1 0 455.332 4.587 20 0 JJADRO CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001461327302 1067829715 /nfs/dbraw/zinc/82/97/15/1067829715.db2.gz DUZPZKKMSIDFRY-FTJBHMTQSA-N 1 0 450.623 4.512 20 0 JJADRO COCO[C@H](C)c1cc(F)c(CNc2cc(C[NH+](C)C)ccc2OC)cc1Br ZINC001461334224 1067831044 /nfs/dbraw/zinc/83/10/44/1067831044.db2.gz YUSRIRPSKXFYJE-CQSZACIVSA-N 1 0 455.368 4.952 20 0 JJADRO Cn1cc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(-c2cc3ccccc3o2)n1 ZINC001461335941 1067831841 /nfs/dbraw/zinc/83/18/41/1067831841.db2.gz YNLPJCAMSNSMTL-QGZVFWFLSA-N 1 0 459.468 4.673 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc(Cl)c1OCC(N)=O ZINC001461354221 1067836946 /nfs/dbraw/zinc/83/69/46/1067836946.db2.gz LVZRXLPDUFWURD-YJBOKZPZSA-N 1 0 456.892 4.657 20 0 JJADRO C[C@@H]([NH2+]Cc1ccc(I)s1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001461360038 1067838239 /nfs/dbraw/zinc/83/82/39/1067838239.db2.gz UWNXYZKNECQKBF-AUUYWEPGSA-N 1 0 457.377 4.768 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001461394672 1067845427 /nfs/dbraw/zinc/84/54/27/1067845427.db2.gz VEICCJONFZYWOE-NZQKXSOJSA-N 1 0 451.485 4.721 20 0 JJADRO COc1cc(C[NH2+]Cc2ccnn2CC2CC2)cc(Br)c1OCc1ccccc1 ZINC001461406205 1067847702 /nfs/dbraw/zinc/84/77/02/1067847702.db2.gz IHQKNNBKZNXSDK-UHFFFAOYSA-N 1 0 456.384 4.933 20 0 JJADRO CCOc1cc(C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)ccc1OCC(=O)N1CCCCC1 ZINC001461412448 1067849618 /nfs/dbraw/zinc/84/96/18/1067849618.db2.gz VMECPPLJRNVMDD-IBGZPJMESA-N 1 0 456.631 4.587 20 0 JJADRO CC[NH+](CC)CCN(C(=O)CCNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC001461414835 1067850446 /nfs/dbraw/zinc/85/04/46/1067850446.db2.gz WKCJWKCBCKUUHL-UHFFFAOYSA-N 1 0 451.998 4.988 20 0 JJADRO CCc1ccccc1Oc1ccc(Cl)cc1C[NH2+]CC1CCN(S(=O)(=O)CC)CC1 ZINC001461422756 1067853212 /nfs/dbraw/zinc/85/32/12/1067853212.db2.gz FLRXYJGRUNAXPR-UHFFFAOYSA-N 1 0 451.032 4.846 20 0 JJADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1(C)C ZINC001461430823 1067854323 /nfs/dbraw/zinc/85/43/23/1067854323.db2.gz ADHOPOXBLLRBHN-OFNKIYASSA-N 1 0 451.394 4.901 20 0 JJADRO OC[C@@H](C[NH2+]Cc1oc2ccccc2c1Br)Cc1ccccc1Br ZINC001461431035 1067854544 /nfs/dbraw/zinc/85/45/44/1067854544.db2.gz KPRXLVGAPXXUHB-CYBMUJFWSA-N 1 0 453.174 4.899 20 0 JJADRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1OCc1ccccc1 ZINC001461452280 1067860435 /nfs/dbraw/zinc/86/04/35/1067860435.db2.gz DIIOIUGWNNLBEE-PKTZIBPZSA-N 1 0 459.428 4.759 20 0 JJADRO Cn1ncc(Br)c1C[NH2+]CCCCCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001461456558 1067861165 /nfs/dbraw/zinc/86/11/65/1067861165.db2.gz LMFSXUFATZJLOM-UHFFFAOYSA-N 1 0 452.784 4.779 20 0 JJADRO COc1cc(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)ccc1OCc1c(C)noc1C ZINC001461460593 1067862312 /nfs/dbraw/zinc/86/23/12/1067862312.db2.gz FGGLYGBFJASLRO-XMMPIXPASA-N 1 0 459.546 4.572 20 0 JJADRO O=S(=O)(NCCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21)c1ccccc1Cl ZINC001461463086 1067862641 /nfs/dbraw/zinc/86/26/41/1067862641.db2.gz IGJJLJCEKGBCAV-UHFFFAOYSA-N 1 0 454.926 4.553 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C(C)(C)C1 ZINC001461461313 1067862680 /nfs/dbraw/zinc/86/26/80/1067862680.db2.gz KKYOZLNZJFQSPK-LJQANCHMSA-N 1 0 451.405 4.850 20 0 JJADRO COc1cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461465040 1067863633 /nfs/dbraw/zinc/86/36/33/1067863633.db2.gz QKMRQTBDCGLCTB-XZOQPEGZSA-N 1 0 455.639 4.923 20 0 JJADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1Br ZINC001461465919 1067864143 /nfs/dbraw/zinc/86/41/43/1067864143.db2.gz QACXDJQFCWDKPE-OAHLLOKOSA-N 1 0 455.190 4.963 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)CSc2nncn2-c2ccc(C)c(C)c2)CC1)CC(C)C ZINC001546124837 1067873908 /nfs/dbraw/zinc/87/39/08/1067873908.db2.gz LROUXGYHXBIXRP-UHFFFAOYSA-N 1 0 457.688 4.583 20 0 JJADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)C1 ZINC001461491607 1067874549 /nfs/dbraw/zinc/87/45/49/1067874549.db2.gz BGHMNWPTELDTRC-OAQYLSRUSA-N 1 0 454.416 4.620 20 0 JJADRO C[C@@](CO)([NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)c1ccc(Br)cc1 ZINC001461497110 1067876298 /nfs/dbraw/zinc/87/62/98/1067876298.db2.gz CFYFQZWWRVZXCM-SFHVURJKSA-N 1 0 456.153 4.829 20 0 JJADRO Cc1ccc(C[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c(C)c1Br ZINC001461501166 1067877384 /nfs/dbraw/zinc/87/73/84/1067877384.db2.gz HRDAVNQHHKDTNG-QHCPKHFHSA-N 1 0 456.384 4.581 20 0 JJADRO COCC1(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001461502011 1067877706 /nfs/dbraw/zinc/87/77/06/1067877706.db2.gz ZYKYVQADIKDIFX-UHFFFAOYSA-N 1 0 450.526 4.978 20 0 JJADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC001461514837 1067879934 /nfs/dbraw/zinc/87/99/34/1067879934.db2.gz STVNQKHOZUULIH-GOSISDBHSA-N 1 0 456.583 4.804 20 0 JJADRO CCOc1c(Cl)cc(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)cc1OC ZINC001461514496 1067880154 /nfs/dbraw/zinc/88/01/54/1067880154.db2.gz LSMDPFTZMXUEGR-QGZVFWFLSA-N 1 0 456.808 4.759 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC001461519544 1067880483 /nfs/dbraw/zinc/88/04/83/1067880483.db2.gz JXJFLVXHULNZBW-WIYYLYMNSA-N 1 0 454.546 4.939 20 0 JJADRO Brc1ccc(-c2n[nH]cc2C[NH2+]CCc2cnc(SC3CCCC3)nc2)cc1 ZINC001461542125 1067884934 /nfs/dbraw/zinc/88/49/34/1067884934.db2.gz JCWQTNOXRVMNAG-UHFFFAOYSA-N 1 0 458.429 4.996 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC3(C[C@@H]1F)OCCO3)CC(C)(C)O2 ZINC001461542560 1067885188 /nfs/dbraw/zinc/88/51/88/1067885188.db2.gz VXTVRZGZFQIPHF-IPMKNSEASA-N 1 0 450.551 4.859 20 0 JJADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC001461544145 1067885355 /nfs/dbraw/zinc/88/53/55/1067885355.db2.gz VOLIUHFHBZNWDG-UHFFFAOYSA-N 1 0 454.347 4.817 20 0 JJADRO Fc1cccc(F)c1C1(C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CCC1 ZINC001461575286 1067891639 /nfs/dbraw/zinc/89/16/39/1067891639.db2.gz JPGDDKANDGOYAI-UHFFFAOYSA-N 1 0 450.957 4.541 20 0 JJADRO Fc1cccc(-c2ccc(CNc3cc(N4CCOCC4)c(Br)c[nH+]3)o2)c1F ZINC001461582461 1067893561 /nfs/dbraw/zinc/89/35/61/1067893561.db2.gz OYAUKFRXOOEEMQ-UHFFFAOYSA-N 1 0 450.283 4.831 20 0 JJADRO Brc1cccc(CN2CCC([NH2+]Cc3ccnn3CCc3ccccc3)CC2)c1 ZINC001461581647 1067893601 /nfs/dbraw/zinc/89/36/01/1067893601.db2.gz NPIGQCBTUNNZEC-UHFFFAOYSA-N 1 0 453.428 4.643 20 0 JJADRO COc1ccc(Br)cc1C1([NH2+]Cc2cccc(I)c2)CC1 ZINC001461593768 1067896456 /nfs/dbraw/zinc/89/64/56/1067896456.db2.gz VPLRYKLYIOMAMZ-UHFFFAOYSA-N 1 0 458.137 4.841 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)CCCOc2ccccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC001461597295 1067897528 /nfs/dbraw/zinc/89/75/28/1067897528.db2.gz JBEJHVSWQKAFBT-QFIPXVFZSA-N 1 0 459.428 4.977 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C12CCC2 ZINC001461621582 1067903329 /nfs/dbraw/zinc/90/33/29/1067903329.db2.gz VPXUIIMOQRFOIF-RBUKOAKNSA-N 1 0 450.505 4.817 20 0 JJADRO CN1CC[NH+](CCCOc2ccc(NCc3ccc(NC(=O)OC(C)(C)C)cc3)cc2)CC1 ZINC001461623378 1067903602 /nfs/dbraw/zinc/90/36/02/1067903602.db2.gz MPWWJCHOYIXTPN-UHFFFAOYSA-N 1 0 454.615 4.662 20 0 JJADRO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c1C ZINC001461623757 1067903677 /nfs/dbraw/zinc/90/36/77/1067903677.db2.gz CMRFDEUHRIBPTC-IFMALSPDSA-N 1 0 473.589 4.830 20 0 JJADRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c(F)c1OC ZINC001461625517 1067904361 /nfs/dbraw/zinc/90/43/61/1067904361.db2.gz JVVCLONFQPWZQF-WOJBJXKFSA-N 1 0 462.537 4.865 20 0 JJADRO CCCCOc1c(Cl)cc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc1OCC ZINC001461634193 1067906326 /nfs/dbraw/zinc/90/63/26/1067906326.db2.gz OIIJJMCEEGWKIR-LJQANCHMSA-N 1 0 453.023 4.633 20 0 JJADRO COc1cc(C[NH2+]C[C@H](C)c2ccccn2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461635788 1067906768 /nfs/dbraw/zinc/90/67/68/1067906768.db2.gz XPFLEWAPSHOKRQ-INIZCTEOSA-N 1 0 457.933 4.794 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC001461648472 1067909319 /nfs/dbraw/zinc/90/93/19/1067909319.db2.gz KSBGPBVUAGBNEP-UHFFFAOYSA-N 1 0 450.283 4.597 20 0 JJADRO CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001461648725 1067909398 /nfs/dbraw/zinc/90/93/98/1067909398.db2.gz VTECNKCIBLLZLD-FQEVSTJZSA-N 1 0 453.808 4.886 20 0 JJADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c1 ZINC001461657346 1067911694 /nfs/dbraw/zinc/91/16/94/1067911694.db2.gz ZFFZBKAQIAHHME-FQRUVTKNSA-N 1 0 457.574 4.811 20 0 JJADRO CCCOc1c(Br)cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1OC ZINC001461668598 1067914729 /nfs/dbraw/zinc/91/47/29/1067914729.db2.gz MQZMNVHHFAUFRH-PBHICJAKSA-N 1 0 457.409 4.734 20 0 JJADRO COc1c(Br)cccc1C[NH2+][C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C ZINC001461669452 1067914746 /nfs/dbraw/zinc/91/47/46/1067914746.db2.gz PRFXQMWXWBUFNF-KFKAGJAMSA-N 1 0 453.421 4.971 20 0 JJADRO O[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC001461670223 1067914979 /nfs/dbraw/zinc/91/49/79/1067914979.db2.gz PKWSLVYPNKZXMW-ROUUACIJSA-N 1 0 455.190 4.794 20 0 JJADRO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)ccc1OCC(F)(F)F ZINC001461674912 1067915565 /nfs/dbraw/zinc/91/55/65/1067915565.db2.gz ANNTZEVFUQHQRC-DDBAPUKQSA-N 1 0 458.521 4.902 20 0 JJADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC001461687794 1067918257 /nfs/dbraw/zinc/91/82/57/1067918257.db2.gz VAYQCDMGVIBCCX-UHFFFAOYSA-N 1 0 459.421 4.999 20 0 JJADRO Cc1ccc(CN2CCO[C@H](C[NH2+]Cc3cccc(OCc4ccc(F)cc4F)c3)C2)cc1 ZINC001461693803 1067919627 /nfs/dbraw/zinc/91/96/27/1067919627.db2.gz GKACBNBYPQFZIJ-AREMUKBSSA-N 1 0 452.545 4.843 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC001461696350 1067920421 /nfs/dbraw/zinc/92/04/21/1067920421.db2.gz SHFSOROXTDKJDC-DEOSSOPVSA-N 1 0 451.611 4.538 20 0 JJADRO C[C@@H](C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001461698536 1067920823 /nfs/dbraw/zinc/92/08/23/1067920823.db2.gz RIFZDJHXPUPPRL-LBPRGKRZSA-N 1 0 450.320 4.765 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001461704197 1067921843 /nfs/dbraw/zinc/92/18/43/1067921843.db2.gz WZBPYHJIVYBXAU-BKKFENPESA-N 1 0 495.639 4.674 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001461710701 1067923148 /nfs/dbraw/zinc/92/31/48/1067923148.db2.gz OMLOBYZUZLBFDI-HXUWFJFHSA-N 1 0 459.775 4.640 20 0 JJADRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001461709716 1067923178 /nfs/dbraw/zinc/92/31/78/1067923178.db2.gz AMLLDBGOVAZTGO-HHHXNRCGSA-N 1 0 455.602 4.702 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001461711971 1067923244 /nfs/dbraw/zinc/92/32/44/1067923244.db2.gz IXPJIWSPZXRFLT-DYESRHJHSA-N 1 0 450.549 4.535 20 0 JJADRO COc1ccc(CCC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)cc1Br ZINC001461713357 1067923693 /nfs/dbraw/zinc/92/36/93/1067923693.db2.gz LXOPWTJTMBAOMB-JOCHJYFZSA-N 1 0 459.428 4.759 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CCN(Cc1ccccc1)c1ccccn1)CC(F)(F)F ZINC001461734006 1067927434 /nfs/dbraw/zinc/92/74/34/1067927434.db2.gz BWJDTFHAHNCYCQ-LJQANCHMSA-N 1 0 452.521 4.524 20 0 JJADRO CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+]Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC001461738801 1067928112 /nfs/dbraw/zinc/92/81/12/1067928112.db2.gz WCYJPGMOCYNILZ-HHHXNRCGSA-N 1 0 454.611 4.814 20 0 JJADRO FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001461753699 1067930588 /nfs/dbraw/zinc/93/05/88/1067930588.db2.gz JCNYWXDILGNEGH-DHIUTWEWSA-N 1 0 451.964 4.957 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC2(CCOCC2)C1 ZINC001461754664 1067930935 /nfs/dbraw/zinc/93/09/35/1067930935.db2.gz QELWAPNBULGPNR-SFHVURJKSA-N 1 0 458.521 4.524 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH2+]C[C@@H](O)Cc3ccc(F)cc3)n2)cc1 ZINC001461756872 1067931378 /nfs/dbraw/zinc/93/13/78/1067931378.db2.gz WMVWPHKVIQWCPP-QHCPKHFHSA-N 1 0 451.542 4.928 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC001461767757 1067933057 /nfs/dbraw/zinc/93/30/57/1067933057.db2.gz PUWBBQHDPHUZGQ-NMIHRBCNSA-N 1 0 459.631 4.972 20 0 JJADRO CSc1ccc(Br)cc1CC[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001461785398 1067936896 /nfs/dbraw/zinc/93/68/96/1067936896.db2.gz GUTMFEXHQTYTFA-CQSZACIVSA-N 1 0 453.393 4.852 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH2+]CC3(OCCO)CCCCC3)n2)cc1 ZINC001461793180 1067937937 /nfs/dbraw/zinc/93/79/37/1067937937.db2.gz CDBIIJMLJPBEMN-UHFFFAOYSA-N 1 0 455.599 4.897 20 0 JJADRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OCc1cccnc1 ZINC001461823323 1067942149 /nfs/dbraw/zinc/94/21/49/1067942149.db2.gz ATLVODWEEDJITR-HXUWFJFHSA-N 1 0 455.599 4.796 20 0 JJADRO CCO[C@@H](C)c1ncc(C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)s1 ZINC001461827798 1067942741 /nfs/dbraw/zinc/94/27/41/1067942741.db2.gz GSLXTEHLNLPLEY-XJKSGUPXSA-N 1 0 452.418 4.526 20 0 JJADRO CCO[C@H](C)c1ncc(C(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)s1 ZINC001461827790 1067942893 /nfs/dbraw/zinc/94/28/93/1067942893.db2.gz GSLXTEHLNLPLEY-CJNGLKHVSA-N 1 0 452.418 4.526 20 0 JJADRO Cc1c(Cl)cccc1OCC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001461831074 1067943173 /nfs/dbraw/zinc/94/31/73/1067943173.db2.gz MVZIRDCEGDVXLP-KRWDZBQOSA-N 1 0 451.792 4.699 20 0 JJADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2cccc(Br)c2)C1 ZINC001461833925 1067943693 /nfs/dbraw/zinc/94/36/93/1067943693.db2.gz WSFYRFMTNLTOJI-QGZVFWFLSA-N 1 0 452.190 4.735 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3nc(-c4cccc(Br)c4)c[nH]3)CCC[C@@H]12 ZINC001461836241 1067944105 /nfs/dbraw/zinc/94/41/05/1067944105.db2.gz LUGNEMUJXDBQAM-GCJKJVERSA-N 1 0 461.404 4.861 20 0 JJADRO CN(C)c1c(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)ccc(F)c1F ZINC001461851941 1067947144 /nfs/dbraw/zinc/94/71/44/1067947144.db2.gz JVUXUSJUVPIJOR-UHFFFAOYSA-N 1 0 452.343 4.644 20 0 JJADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001461852986 1067947391 /nfs/dbraw/zinc/94/73/91/1067947391.db2.gz CSRMSFJORGOGDE-QUCCMNQESA-N 1 0 457.412 4.635 20 0 JJADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001461852956 1067947472 /nfs/dbraw/zinc/94/74/72/1067947472.db2.gz CSRMSFJORGOGDE-AZUAARDMSA-N 1 0 457.412 4.635 20 0 JJADRO CC(=O)Nc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc(C(F)(F)F)c1 ZINC001461857456 1067948612 /nfs/dbraw/zinc/94/86/12/1067948612.db2.gz WLZGLCJVFLRZTD-NRFANRHFSA-N 1 0 459.512 4.696 20 0 JJADRO CC(C)(C)OC(=O)c1ccccc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001461894581 1067956568 /nfs/dbraw/zinc/95/65/68/1067956568.db2.gz VZXYQIXGBGBELR-IZZNHLLZSA-N 1 0 471.601 4.569 20 0 JJADRO COCc1ccccc1/C=C(/C)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001461899205 1067957522 /nfs/dbraw/zinc/95/75/22/1067957522.db2.gz ODOGUCOIWHQIPF-LYPXWFNGSA-N 1 0 458.400 4.745 20 0 JJADRO CC1CC[NH+](C[C@H]2CCCN(Cc3ccc(N4CCC[C@@H](C(=O)OC(C)(C)C)C4)o3)C2)CC1 ZINC001461899077 1067957539 /nfs/dbraw/zinc/95/75/39/1067957539.db2.gz NMBSULOUZJFAKQ-DHIUTWEWSA-N 1 0 459.675 4.782 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)c1C(F)(F)F ZINC001461903935 1067958500 /nfs/dbraw/zinc/95/85/00/1067958500.db2.gz QKVYKJAUKZQCEX-UHFFFAOYSA-N 1 0 456.512 4.593 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001461908328 1067959172 /nfs/dbraw/zinc/95/91/72/1067959172.db2.gz KRHUQFZNAMDSFB-KRWDZBQOSA-N 1 0 450.549 4.584 20 0 JJADRO CC(C)(C)OC(=O)N1[C@H](CN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)COC1(C)C ZINC001461910991 1067959700 /nfs/dbraw/zinc/95/97/00/1067959700.db2.gz CSISRTPYTXFKKQ-HSZRJFAPSA-N 1 0 457.659 4.879 20 0 JJADRO C[NH+](C)CCn1ncc(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)c1-c1ccccc1 ZINC001461917136 1067960750 /nfs/dbraw/zinc/96/07/50/1067960750.db2.gz AMDLOYVPYCYECB-UHFFFAOYSA-N 1 0 450.892 4.714 20 0 JJADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC001461928369 1067962932 /nfs/dbraw/zinc/96/29/32/1067962932.db2.gz RPOLSAQDBFGFDM-ZEQRLZLVSA-N 1 0 457.659 4.627 20 0 JJADRO CCC[N@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001461958852 1067969316 /nfs/dbraw/zinc/96/93/16/1067969316.db2.gz MWQBAKVEZZGZII-IBGZPJMESA-N 1 0 453.574 4.552 20 0 JJADRO CCc1[nH]c(CN2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1C(=O)OC ZINC001461985016 1067974825 /nfs/dbraw/zinc/97/48/25/1067974825.db2.gz BRYCTDQLTOGLNO-UHFFFAOYSA-N 1 0 450.514 4.705 20 0 JJADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1F ZINC001461995809 1067977109 /nfs/dbraw/zinc/97/71/09/1067977109.db2.gz PSTDVOKASRCZMH-IIBYNOLFSA-N 1 0 452.492 4.813 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(F)F)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001462009048 1067979671 /nfs/dbraw/zinc/97/96/71/1067979671.db2.gz TZQZLLIQCWJEAT-QFIPXVFZSA-N 1 0 459.581 4.942 20 0 JJADRO Cc1ccc(N[C@@H]2CC[C@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)cc1NC(=O)CC[NH+](C)C ZINC001462047637 1067989419 /nfs/dbraw/zinc/98/94/19/1067989419.db2.gz BDVDPQHBWFXODP-MZKRTTBSSA-N 1 0 458.647 4.865 20 0 JJADRO COc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)sc1Br ZINC001462047904 1067990020 /nfs/dbraw/zinc/99/00/20/1067990020.db2.gz FLYCTZOAQRYNEV-GFCCVEGCSA-N 1 0 452.201 4.859 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC001462072410 1067996812 /nfs/dbraw/zinc/99/68/12/1067996812.db2.gz JLNAREIUSAYQTQ-UHFFFAOYSA-N 1 0 450.558 4.802 20 0 JJADRO CC(C)(C)OC(=O)NCCOc1ccc(NC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC001462082968 1067998151 /nfs/dbraw/zinc/99/81/51/1067998151.db2.gz DMNYNEYMRIRDQG-UHFFFAOYSA-N 1 0 457.590 4.848 20 0 JJADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC001462081660 1067998329 /nfs/dbraw/zinc/99/83/29/1067998329.db2.gz GZQJCYZBHNSQTH-XLIONFOSSA-N 1 0 455.234 4.974 20 0 JJADRO COC(=O)c1csc(-c2cccc(C[NH2+][C@H](C)C[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)n1 ZINC001462086527 1067998863 /nfs/dbraw/zinc/99/88/63/1067998863.db2.gz LYGUBOLYMYBXAK-APWZRJJASA-N 1 0 459.612 4.864 20 0 JJADRO CCOC(=O)[C@](C)(C[NH2+]Cc1cc(Cl)ccc1I)c1ccccc1 ZINC001462097054 1068001426 /nfs/dbraw/zinc/00/14/26/1068001426.db2.gz SCNYIBJPOLMDJZ-LJQANCHMSA-N 1 0 457.739 4.555 20 0 JJADRO COC(=O)[C@](C)(C[NH2+]Cc1cc(Br)c(C)cc1Br)c1ccccc1 ZINC001462097960 1068001542 /nfs/dbraw/zinc/00/15/42/1068001542.db2.gz YVNOIELLLKNKPB-LJQANCHMSA-N 1 0 455.190 4.741 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC001462106100 1068004131 /nfs/dbraw/zinc/00/41/31/1068004131.db2.gz IKPYQQSHABVBRF-PZJWPPBQSA-N 1 0 458.455 4.650 20 0 JJADRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2cc(Br)ccc2Br)cc1 ZINC001462107836 1068005242 /nfs/dbraw/zinc/00/52/42/1068005242.db2.gz ATFZMZFLZNOARQ-CQSZACIVSA-N 1 0 457.206 4.958 20 0 JJADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC001462109290 1068005847 /nfs/dbraw/zinc/00/58/47/1068005847.db2.gz HCCPYIWJIWUVRM-FQEVSTJZSA-N 1 0 450.608 4.582 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001462121611 1068008763 /nfs/dbraw/zinc/00/87/63/1068008763.db2.gz KSIANXOXUNLRCF-GDBMZVCRSA-N 1 0 451.792 4.609 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001462121614 1068009489 /nfs/dbraw/zinc/00/94/89/1068009489.db2.gz KSIANXOXUNLRCF-HOCLYGCPSA-N 1 0 451.792 4.609 20 0 JJADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001462124723 1068010470 /nfs/dbraw/zinc/01/04/70/1068010470.db2.gz PNPWRJFWRFJLHT-XLIONFOSSA-N 1 0 453.583 4.668 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C(F)(F)F ZINC001462132926 1068012624 /nfs/dbraw/zinc/01/26/24/1068012624.db2.gz ZASLLQHCBZHDQL-AZUAARDMSA-N 1 0 456.512 4.697 20 0 JJADRO COCC[C@H](C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1)NC(=O)OC(C)(C)C ZINC001462136541 1068013312 /nfs/dbraw/zinc/01/33/12/1068013312.db2.gz ICDKGJBEIAZAAP-LJQANCHMSA-N 1 0 455.437 4.732 20 0 JJADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cnn1C ZINC001462150974 1068016434 /nfs/dbraw/zinc/01/64/34/1068016434.db2.gz QRVYBMVVAQVHLB-INWJIATQSA-N 1 0 452.643 4.823 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC001462154572 1068017806 /nfs/dbraw/zinc/01/78/06/1068017806.db2.gz IZXZIADUXQMOEH-JOCHJYFZSA-N 1 0 458.400 4.594 20 0 JJADRO Cc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)ccc1I ZINC001462162607 1068019336 /nfs/dbraw/zinc/01/93/36/1068019336.db2.gz MPBRHJBTWWSUQI-KRWDZBQOSA-N 1 0 456.368 4.621 20 0 JJADRO Brc1cccc(N2CC[C@H]([NH2+][C@H]3CCc4cc(Br)ccc4C3)C2)c1 ZINC001462165631 1068020021 /nfs/dbraw/zinc/02/00/21/1068020021.db2.gz XFQHWTGTDDUPIU-OALUTQOASA-N 1 0 450.218 4.937 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]C3CC(N4CCC(C(F)(F)F)CC4)C3)CC[C@H]21 ZINC001462175891 1068022534 /nfs/dbraw/zinc/02/25/34/1068022534.db2.gz FFBDBDSOIUBPIK-KNMUURIASA-N 1 0 459.597 4.950 20 0 JJADRO C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC001462220662 1068031073 /nfs/dbraw/zinc/03/10/73/1068031073.db2.gz QIQOZGDPZSXMEN-NBGIEHNGSA-N 1 0 451.611 4.536 20 0 JJADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001462220925 1068031733 /nfs/dbraw/zinc/03/17/33/1068031733.db2.gz SEKBTMVBPDQHQV-MBSDFSHPSA-N 1 0 453.583 4.536 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001462226484 1068032926 /nfs/dbraw/zinc/03/29/26/1068032926.db2.gz XVPKPIYBOWXUSL-OKAKVDCISA-N 1 0 451.652 4.646 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001462226485 1068033024 /nfs/dbraw/zinc/03/30/24/1068033024.db2.gz XVPKPIYBOWXUSL-UCGFNCKJSA-N 1 0 451.652 4.646 20 0 JJADRO Cc1c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001462232600 1068034219 /nfs/dbraw/zinc/03/42/19/1068034219.db2.gz UBMDXJRUQXDKTH-JOCHJYFZSA-N 1 0 456.512 4.984 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001462234202 1068034947 /nfs/dbraw/zinc/03/49/47/1068034947.db2.gz YYJXHUXJYLMTES-XMMPIXPASA-N 1 0 451.014 4.986 20 0 JJADRO COCC1(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242376 1068036372 /nfs/dbraw/zinc/03/63/72/1068036372.db2.gz XEAZSCDSJXLQTK-VWNXMTODSA-N 1 0 457.659 4.608 20 0 JJADRO COCC1(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242371 1068036680 /nfs/dbraw/zinc/03/66/80/1068036680.db2.gz XEAZSCDSJXLQTK-UPVQGACJSA-N 1 0 457.659 4.608 20 0 JJADRO COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462272511 1068041764 /nfs/dbraw/zinc/04/17/64/1068041764.db2.gz CMEZJEMDYJXNST-OALUTQOASA-N 1 0 455.599 4.814 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC001462278341 1068042628 /nfs/dbraw/zinc/04/26/28/1068042628.db2.gz LBERRDKLTGOWDN-QPPBQGQZSA-N 1 0 456.558 4.566 20 0 JJADRO C[C@@H](C[N@H+](Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)[C@@H](C)CO)c1ccccc1 ZINC001462293886 1068045639 /nfs/dbraw/zinc/04/56/39/1068045639.db2.gz VOPJEJFNQDPTOW-SFTDATJTSA-N 1 0 456.627 4.824 20 0 JJADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC001462294929 1068045918 /nfs/dbraw/zinc/04/59/18/1068045918.db2.gz XLQILOSOWNOGLA-INIZCTEOSA-N 1 0 458.546 4.847 20 0 JJADRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001462327781 1068051826 /nfs/dbraw/zinc/05/18/26/1068051826.db2.gz PRWLTRLIZKCDLV-SQMFLSJESA-N 1 0 461.581 4.809 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001462337403 1068053856 /nfs/dbraw/zinc/05/38/56/1068053856.db2.gz BZJHWXOLBNAXIC-PMACEKPBSA-N 1 0 453.421 4.733 20 0 JJADRO C[C@H]1CN(c2ccccc2C[N@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)CCO1 ZINC001462340895 1068054369 /nfs/dbraw/zinc/05/43/69/1068054369.db2.gz SYDLGQMLEKKGFX-NGYIFUPDSA-N 1 0 469.601 4.544 20 0 JJADRO C[C@@H]1CN(c2ccccc2C[N@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)CCO1 ZINC001462340903 1068054703 /nfs/dbraw/zinc/05/47/03/1068054703.db2.gz SYDLGQMLEKKGFX-WNOPAQSVSA-N 1 0 469.601 4.544 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)C1(C)C ZINC001462363473 1068060066 /nfs/dbraw/zinc/06/00/66/1068060066.db2.gz ASDPWTXCDZMXJH-LTFPLMDUSA-N 1 0 451.652 4.836 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](Cc2ccnc3c(Br)cccc23)C[C@H]1c1ccc(F)cc1F ZINC001462362024 1068060098 /nfs/dbraw/zinc/06/00/98/1068060098.db2.gz PPDSGUNJOZWHFD-ZWKOTPCHSA-N 1 0 461.306 4.664 20 0 JJADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]Cc2ccc(COc3ccc(F)cc3)cc2)C1 ZINC001462382126 1068063459 /nfs/dbraw/zinc/06/34/59/1068063459.db2.gz NOKSSTUBJPYGTQ-UHFFFAOYSA-N 1 0 457.542 4.546 20 0 JJADRO COCC[N@H+](Cc1cc2cc(OC)ccc2o1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462397452 1068065411 /nfs/dbraw/zinc/06/54/11/1068065411.db2.gz VZWLWQYDOLVVRB-UHFFFAOYSA-N 1 0 452.551 4.691 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C12CCCC2 ZINC001462407368 1068066930 /nfs/dbraw/zinc/06/69/30/1068066930.db2.gz IOMWMWVHVIZSRH-QFIPXVFZSA-N 1 0 453.583 4.784 20 0 JJADRO CNC(=O)[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC001462406086 1068067063 /nfs/dbraw/zinc/06/70/63/1068067063.db2.gz AWQQHHGOLDFTPF-SSPYTLHUSA-N 1 0 459.556 4.568 20 0 JJADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc2ccc(-c3cccs3)cc2)cnn1C ZINC001462412975 1068069520 /nfs/dbraw/zinc/06/95/20/1068069520.db2.gz IBDFGUVWPJSGKZ-HXUWFJFHSA-N 1 0 454.640 4.930 20 0 JJADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)[C@H]1Sc1ccccc1 ZINC001462413803 1068069850 /nfs/dbraw/zinc/06/98/50/1068069850.db2.gz VLXFCPZPIPQANC-XYEHWOGUSA-N 1 0 466.569 4.538 20 0 JJADRO C[C@@H]1C[N@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1C(=O)OC(C)(C)C ZINC001462442339 1068074939 /nfs/dbraw/zinc/07/49/39/1068074939.db2.gz QROFWFJITDBHMD-VQIMIIECSA-N 1 0 450.645 4.841 20 0 JJADRO CCOc1cc(C[NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)cc(Br)c1O ZINC001462446327 1068076056 /nfs/dbraw/zinc/07/60/56/1068076056.db2.gz OZGFJHNFIFQMJN-IBGZPJMESA-N 1 0 450.373 4.539 20 0 JJADRO CCOc1cc(C[NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)cc(Br)c1O ZINC001462446342 1068076430 /nfs/dbraw/zinc/07/64/30/1068076430.db2.gz OZGFJHNFIFQMJN-LJQANCHMSA-N 1 0 450.373 4.539 20 0 JJADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001462452532 1068077902 /nfs/dbraw/zinc/07/79/02/1068077902.db2.gz JTUJADPDUBLNHC-LJQANCHMSA-N 1 0 455.437 4.824 20 0 JJADRO Cc1c(Br)cc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)cc1Br ZINC001462467397 1068080444 /nfs/dbraw/zinc/08/04/44/1068080444.db2.gz PQHHIAIBDWRPJT-SFHVURJKSA-N 1 0 454.206 4.909 20 0 JJADRO COC(=O)c1ccc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCCCC2)c(Br)c1 ZINC001462482776 1068082429 /nfs/dbraw/zinc/08/24/29/1068082429.db2.gz XIMLDCSQNPRLRZ-UHFFFAOYSA-N 1 0 455.393 4.553 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1c1ccc(O)cc1 ZINC001462483921 1068083113 /nfs/dbraw/zinc/08/31/13/1068083113.db2.gz WRUAPCUCSQOOLT-VQTJNVASSA-N 1 0 473.392 4.667 20 0 JJADRO COc1cc(Br)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1O ZINC001462495886 1068085163 /nfs/dbraw/zinc/08/51/63/1068085163.db2.gz NXEPZHWSRPYTDR-HNNXBMFYSA-N 1 0 457.409 4.679 20 0 JJADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc2cc(Cl)cc(Cl)c2F)cnn1C ZINC001462513551 1068089041 /nfs/dbraw/zinc/08/90/41/1068089041.db2.gz UXSNMAVEPKTUKD-CQSZACIVSA-N 1 0 459.393 4.648 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538849 1068094492 /nfs/dbraw/zinc/09/44/92/1068094492.db2.gz ZQHQCHNENIWWKR-OPAMFIHVSA-N 1 0 451.355 4.593 20 0 JJADRO COc1ccc(C2=NO[C@H](C[NH2+][C@@H]3CC[C@H]4[C@@H](CCCN4C(=O)OC(C)(C)C)C3)C2)cc1C ZINC001462548877 1068096186 /nfs/dbraw/zinc/09/61/86/1068096186.db2.gz GICXUNQGHPDBMV-KGSLCBSSSA-N 1 0 457.615 4.654 20 0 JJADRO O=C(C[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC001462556507 1068097703 /nfs/dbraw/zinc/09/77/03/1068097703.db2.gz LUFKLXYUMCNKDA-UHFFFAOYSA-N 1 0 450.366 4.570 20 0 JJADRO Cc1cc(C2OCCO2)c(C)cc1C[NH2+]C[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001462557203 1068098026 /nfs/dbraw/zinc/09/80/26/1068098026.db2.gz GJIHTUVRMNLDDS-QHCPKHFHSA-N 1 0 452.595 4.800 20 0 JJADRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001462578995 1068103163 /nfs/dbraw/zinc/10/31/63/1068103163.db2.gz UWZNDAFXBRCSJI-WIYYLYMNSA-N 1 0 455.565 4.920 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH+]3CCC4(CC3)C[C@@H](O)CCO4)n2)cc1 ZINC001462607689 1068110762 /nfs/dbraw/zinc/11/07/62/1068110762.db2.gz YGQFUPYNFQBENB-QFIPXVFZSA-N 1 0 453.583 4.602 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Br)cc3)C[C@@H]2C1 ZINC001462625126 1068116178 /nfs/dbraw/zinc/11/61/78/1068116178.db2.gz XHSXUVYLUHYYOY-SJLPKXTDSA-N 1 0 461.404 4.528 20 0 JJADRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC001462634849 1068119479 /nfs/dbraw/zinc/11/94/79/1068119479.db2.gz TXNAHHRZHWUKIW-KRWDZBQOSA-N 1 0 454.368 4.857 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)C2 ZINC001462638284 1068120974 /nfs/dbraw/zinc/12/09/74/1068120974.db2.gz RRSOXJPJVLVLEM-YSFPZDHXSA-N 1 0 471.642 4.910 20 0 JJADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CCC(c2cc(C)cc(C)c2)CC1 ZINC001462639920 1068121488 /nfs/dbraw/zinc/12/14/88/1068121488.db2.gz YMFVIEYVOGKAES-GOSISDBHSA-N 1 0 459.428 4.959 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC001462642948 1068122402 /nfs/dbraw/zinc/12/24/02/1068122402.db2.gz HFBRJZLPCQXBNZ-OMMZEQHOSA-N 1 0 456.549 4.637 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H](OCC2CCCC2)c2ccccc2)CCOCC1 ZINC001462646933 1068122939 /nfs/dbraw/zinc/12/29/39/1068122939.db2.gz ZQEDJROSCKACLV-AREMUKBSSA-N 1 0 450.623 4.732 20 0 JJADRO CC(C)[C@@H]1CCC[C@](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001462648473 1068123978 /nfs/dbraw/zinc/12/39/78/1068123978.db2.gz RHZQGMDOPWFWMF-WRHDZBKDSA-N 1 0 456.597 4.888 20 0 JJADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C1 ZINC001462671122 1068127814 /nfs/dbraw/zinc/12/78/14/1068127814.db2.gz DUXSNRJYDQDNTN-QHCPKHFHSA-N 1 0 454.611 4.864 20 0 JJADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001462673100 1068128616 /nfs/dbraw/zinc/12/86/16/1068128616.db2.gz INYBAKSRVXEUJL-INIZCTEOSA-N 1 0 454.409 4.534 20 0 JJADRO CN(C)[C@@H](CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(F)(F)F ZINC001462690581 1068132120 /nfs/dbraw/zinc/13/21/20/1068132120.db2.gz RFGNQHLPBATCEH-BDTNDASRSA-N 1 0 467.963 4.554 20 0 JJADRO Cc1cc(Cl)c(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccccc2)c(Br)c1 ZINC001462702010 1068135676 /nfs/dbraw/zinc/13/56/76/1068135676.db2.gz RDZYCVAJAXHPAL-UHFFFAOYSA-N 1 0 459.837 4.554 20 0 JJADRO Cc1ccc(C2(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)CCCCC2)c(Br)c1 ZINC001462749612 1068154469 /nfs/dbraw/zinc/15/44/69/1068154469.db2.gz QFWDDFFPAKRQJD-VQTJNVASSA-N 1 0 451.474 4.655 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)c3c4ncsc4ccc3Cl)cc2)C1 ZINC001462827589 1068179647 /nfs/dbraw/zinc/17/96/47/1068179647.db2.gz BWGSKDFBRYFTCD-OAHLLOKOSA-N 1 0 450.029 4.660 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC001462829525 1068180922 /nfs/dbraw/zinc/18/09/22/1068180922.db2.gz HFELRLAULLDSME-HZPDHXFCSA-N 1 0 458.521 4.801 20 0 JJADRO COc1ccc2c(c1)C=C(S(=O)(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC001462830410 1068182025 /nfs/dbraw/zinc/18/20/25/1068182025.db2.gz KVXUXUAXSGNQME-WOJBJXKFSA-N 1 0 454.636 4.580 20 0 JJADRO O=C(c1ccc(I)cc1Cl)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001462835261 1068184468 /nfs/dbraw/zinc/18/44/68/1068184468.db2.gz HWYCMYWIWBNHFW-SJORKVTESA-N 1 0 480.777 4.539 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)C1 ZINC001462838100 1068185131 /nfs/dbraw/zinc/18/51/31/1068185131.db2.gz OQMIKQMQCYEGTO-IRXDYDNUSA-N 1 0 456.530 4.542 20 0 JJADRO CC(C)n1ncc2cc(S(=O)(=O)NCc3ccc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)ccc21 ZINC001462839884 1068186321 /nfs/dbraw/zinc/18/63/21/1068186321.db2.gz WJTKOMCOCLWHKW-PMACEKPBSA-N 1 0 454.640 4.574 20 0 JJADRO CC1CC[NH+]([C@H](CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)c2ccccc2)CC1 ZINC001462899534 1068208068 /nfs/dbraw/zinc/20/80/68/1068208068.db2.gz XYTNWRXYGLTMIF-GOSISDBHSA-N 1 0 458.958 4.693 20 0 JJADRO CCOc1ccc(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC001462920498 1068214879 /nfs/dbraw/zinc/21/48/79/1068214879.db2.gz KHUWJMJASGGBFN-UHFFFAOYSA-N 1 0 459.439 4.843 20 0 JJADRO Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001462931664 1068219368 /nfs/dbraw/zinc/21/93/68/1068219368.db2.gz OQBOBHZKQMEACR-IBGZPJMESA-N 1 0 456.999 4.780 20 0 JJADRO CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001462947673 1068225133 /nfs/dbraw/zinc/22/51/33/1068225133.db2.gz TWAGMGYAEMDSKI-OAQYLSRUSA-N 1 0 459.556 4.801 20 0 JJADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001462950839 1068226214 /nfs/dbraw/zinc/22/62/14/1068226214.db2.gz BQWIUSRXYZCEFS-UHFFFAOYSA-N 1 0 456.530 4.581 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1ccccc1 ZINC001463019098 1068253752 /nfs/dbraw/zinc/25/37/52/1068253752.db2.gz HROIBYPJTLHEGM-CYBMUJFWSA-N 1 0 450.910 4.646 20 0 JJADRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2cc(Br)ccc2F)CCCC1)c1ccccc1 ZINC001463034962 1068258036 /nfs/dbraw/zinc/25/80/36/1068258036.db2.gz KIYOMUVDTXHQGA-HNNXBMFYSA-N 1 0 455.393 4.530 20 0 JJADRO CC(C)C[C@H](CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2)[NH2+][C@@H](C)c1ccccc1 ZINC001463071521 1068276657 /nfs/dbraw/zinc/27/66/57/1068276657.db2.gz CETKITWCYYIYBX-FUHIMQAGSA-N 1 0 451.032 4.707 20 0 JJADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](C)Oc2cccc(C)c2)cc1 ZINC001463126385 1068296235 /nfs/dbraw/zinc/29/62/35/1068296235.db2.gz DXZDPYKURVQNJG-MXSCXNJPSA-N 1 0 478.658 4.658 20 0 JJADRO C[C@H](C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1ccc(C(F)(F)F)n1 ZINC001463145787 1068302245 /nfs/dbraw/zinc/30/22/45/1068302245.db2.gz DWDLWECUWVYWIJ-UTSGNWPNSA-N 1 0 456.512 4.637 20 0 JJADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1c1cccs1 ZINC001463152162 1068304631 /nfs/dbraw/zinc/30/46/31/1068304631.db2.gz BPFAXPNNIZHSIA-SJKOYZFVSA-N 1 0 452.951 4.782 20 0 JJADRO CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001463175881 1068310462 /nfs/dbraw/zinc/31/04/62/1068310462.db2.gz NDTNZVUPYDIFPD-WTWMYVDVSA-N 1 0 470.613 4.760 20 0 JJADRO CCCCCOc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC001463226637 1068327246 /nfs/dbraw/zinc/32/72/46/1068327246.db2.gz SSNYDHIYTBWPSJ-AREMUKBSSA-N 1 0 456.652 4.932 20 0 JJADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001463229738 1068328336 /nfs/dbraw/zinc/32/83/36/1068328336.db2.gz IVAZLPXSTIURKT-XUZZJYLKSA-N 1 0 450.604 4.597 20 0 JJADRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C(F)(F)F ZINC001463276605 1068341560 /nfs/dbraw/zinc/34/15/60/1068341560.db2.gz AGFXBMJSQGSNJF-UGKGYDQZSA-N 1 0 452.542 4.689 20 0 JJADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001463295995 1068348080 /nfs/dbraw/zinc/34/80/80/1068348080.db2.gz KPUDFUVQXKNAPN-GOSISDBHSA-N 1 0 457.478 4.564 20 0 JJADRO CCCN(C(=O)c1nn(-c2c(F)cccc2F)cc1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001463365055 1068372964 /nfs/dbraw/zinc/37/29/64/1068372964.db2.gz MRGYNOFFMDUJHT-UHFFFAOYSA-N 1 0 452.549 4.976 20 0 JJADRO CS[C@H]1CCCCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463375541 1068376805 /nfs/dbraw/zinc/37/68/05/1068376805.db2.gz INNNZQGGOYBWPK-CCDWMCETSA-N 1 0 458.693 4.510 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(COc4ccccc4Br)cc3)C[C@@H]2C1 ZINC001463386967 1068380991 /nfs/dbraw/zinc/38/09/91/1068380991.db2.gz FAMRNOLIZHWQPI-QHAWAJNXSA-N 1 0 457.412 4.830 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)[NH+]2CCCC2)c1 ZINC001463554048 1068439417 /nfs/dbraw/zinc/43/94/17/1068439417.db2.gz AYAFEIYRIWUZBN-QFIPXVFZSA-N 1 0 459.377 4.755 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001463564929 1068446554 /nfs/dbraw/zinc/44/65/54/1068446554.db2.gz PKHNDBDFUKGEDY-HXUWFJFHSA-N 1 0 450.004 4.652 20 0 JJADRO C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001463568415 1068449003 /nfs/dbraw/zinc/44/90/03/1068449003.db2.gz SPOWPKHHNZUKHZ-FQEVSTJZSA-N 1 0 459.556 4.697 20 0 JJADRO COc1ccc([C@@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)[NH+]2CCCC2)cc1 ZINC001463570268 1068450439 /nfs/dbraw/zinc/45/04/39/1068450439.db2.gz ZAEVQGAMZSHGEX-OAQYLSRUSA-N 1 0 450.476 4.838 20 0 JJADRO C[NH+](C)C1(CNC(=O)Cc2csc(-c3cc(Br)cs3)n2)CCCCCC1 ZINC001463711843 1068502593 /nfs/dbraw/zinc/50/25/93/1068502593.db2.gz MGANCWXJCQSXSL-UHFFFAOYSA-N 1 0 456.475 4.947 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1S(=O)(=O)C1=Cc2ccccc2CC1 ZINC001463754508 1068513668 /nfs/dbraw/zinc/51/36/68/1068513668.db2.gz FVBVRBKMNBIEMI-SANMLTNESA-N 1 0 452.664 4.969 20 0 JJADRO CCc1ccc([C@H](CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)[NH+](C)C)cc1 ZINC001463764006 1068516691 /nfs/dbraw/zinc/51/66/91/1068516691.db2.gz PFNUYOMGMCXGRU-QFIPXVFZSA-N 1 0 455.400 4.538 20 0 JJADRO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)cc12 ZINC001463767809 1068517818 /nfs/dbraw/zinc/51/78/18/1068517818.db2.gz DHJZJVYACRGLMY-SFHVURJKSA-N 1 0 453.011 4.952 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)Cc1ccccc1 ZINC001463770382 1068519154 /nfs/dbraw/zinc/51/91/54/1068519154.db2.gz MMDJDWKUZKSSSL-GOTSBHOMSA-N 1 0 453.627 4.568 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)C1 ZINC001463773259 1068520422 /nfs/dbraw/zinc/52/04/22/1068520422.db2.gz BGVIAZAESCSQQY-LJQANCHMSA-N 1 0 451.394 4.659 20 0 JJADRO C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463786053 1068523659 /nfs/dbraw/zinc/52/36/59/1068523659.db2.gz UXFFRBOEHZKWDK-GMAHTHKFSA-N 1 0 457.659 4.962 20 0 JJADRO CCc1ccc([C@H](CNS(=O)(=O)Cc2ccsc2Br)[NH+](CC)CC)cc1 ZINC001463790073 1068524737 /nfs/dbraw/zinc/52/47/37/1068524737.db2.gz DIWJIBMEGYANBW-SFHVURJKSA-N 1 0 459.475 4.576 20 0 JJADRO CCc1ccc([C@@H](CNS(=O)(=O)Cc2ccc(Br)cc2)[NH+](CC)CC)cc1 ZINC001463796102 1068527512 /nfs/dbraw/zinc/52/75/12/1068527512.db2.gz VRMRTNJKYVUPGJ-OAQYLSRUSA-N 1 0 453.446 4.514 20 0 JJADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001463822003 1068535617 /nfs/dbraw/zinc/53/56/17/1068535617.db2.gz HPNQPEOYYRFTBV-UHFFFAOYSA-N 1 0 451.858 4.688 20 0 JJADRO CC[C@@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC001463826127 1068538317 /nfs/dbraw/zinc/53/83/17/1068538317.db2.gz PJGZVEXNQKAOHG-YKSBVNFPSA-N 1 0 450.023 4.773 20 0 JJADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC001463830476 1068540023 /nfs/dbraw/zinc/54/00/23/1068540023.db2.gz LRECYXCJROIBPI-XMMPIXPASA-N 1 0 459.011 4.638 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463836126 1068541710 /nfs/dbraw/zinc/54/17/10/1068541710.db2.gz HFQRUMIQKHNMLW-WMQCIHAUSA-N 1 0 450.023 4.677 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)nc2cc(Br)ccc21)Cc1ccccc1 ZINC001463836761 1068542608 /nfs/dbraw/zinc/54/26/08/1068542608.db2.gz QMZLXYSBCOHZJD-FQEVSTJZSA-N 1 0 454.412 4.989 20 0 JJADRO CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463839956 1068543790 /nfs/dbraw/zinc/54/37/90/1068543790.db2.gz ZDIMRSGADMPBQX-WMQCIHAUSA-N 1 0 452.039 4.923 20 0 JJADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001463842645 1068544578 /nfs/dbraw/zinc/54/45/78/1068544578.db2.gz YSBXVQFWVQNDLV-NJDAHSKKSA-N 1 0 451.577 4.940 20 0 JJADRO Cc1ccc2cc(C(=O)NCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2n1 ZINC001463842452 1068544642 /nfs/dbraw/zinc/54/46/42/1068544642.db2.gz WMUIJOWQHHAIHF-UHFFFAOYSA-N 1 0 456.512 4.504 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)C(F)(F)c1cccc(Br)c1)c1cccc(OC)c1 ZINC001463917113 1068565613 /nfs/dbraw/zinc/56/56/13/1068565613.db2.gz OLDQDJFKMPRMGF-LJQANCHMSA-N 1 0 455.343 4.749 20 0 JJADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001464008539 1068587774 /nfs/dbraw/zinc/58/77/74/1068587774.db2.gz AIJFCJIYJBLKOT-BEFAXECRSA-N 1 0 469.832 4.716 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC001464015961 1068589296 /nfs/dbraw/zinc/58/92/96/1068589296.db2.gz NSNDAFLZLIAUGJ-UHFFFAOYSA-N 1 0 457.405 4.513 20 0 JJADRO CCc1ccc([C@H](NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)c2cccc(F)c2)cc1 ZINC001464015248 1068589473 /nfs/dbraw/zinc/58/94/73/1068589473.db2.gz IXQCRMRTYYQQLY-MHZLTWQESA-N 1 0 451.630 4.790 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3c(NC(=O)OC(C)(C)C)cnn3C)cc2)C1 ZINC001464016790 1068589872 /nfs/dbraw/zinc/58/98/72/1068589872.db2.gz FDJXEZADFBGDQB-GOSISDBHSA-N 1 0 455.603 4.570 20 0 JJADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC001464025982 1068592370 /nfs/dbraw/zinc/59/23/70/1068592370.db2.gz HOJLVHUCJXQEDY-UHFFFAOYSA-N 1 0 451.032 4.588 20 0 JJADRO CC[NH+](CC)Cc1cccc(NC(=O)CCOc2cccc(I)c2)c1 ZINC001464043267 1068598022 /nfs/dbraw/zinc/59/80/22/1068598022.db2.gz HQLARIPKORHZFB-UHFFFAOYSA-N 1 0 452.336 4.541 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001464097862 1068613976 /nfs/dbraw/zinc/61/39/76/1068613976.db2.gz CWDWBJUCULQFKB-QFIPXVFZSA-N 1 0 451.508 4.743 20 0 JJADRO CC[C@@H](CNC(=O)c1ccc(Sc2ccccc2Cl)nn1)[N@@H+]1CCc2ccccc2C1 ZINC001464100034 1068615267 /nfs/dbraw/zinc/61/52/67/1068615267.db2.gz LYFAXPZQDJURON-IBGZPJMESA-N 1 0 453.011 4.848 20 0 JJADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cc(Br)cc(C)c3C)CC2)c1 ZINC001464100549 1068615366 /nfs/dbraw/zinc/61/53/66/1068615366.db2.gz KIISLBKBIWYNJM-UHFFFAOYSA-N 1 0 458.444 4.707 20 0 JJADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(I)c(F)cc1F ZINC001464106990 1068617431 /nfs/dbraw/zinc/61/74/31/1068617431.db2.gz NCNORZBVMMESKO-UHFFFAOYSA-N 1 0 456.274 4.808 20 0 JJADRO Cc1cc(CCC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ccc1Br ZINC001464117905 1068621146 /nfs/dbraw/zinc/62/11/46/1068621146.db2.gz BIASMMACAWIXCJ-RTBURBONSA-N 1 0 459.428 4.616 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccccc3-c3ccccc3C(=O)OC)cc2)CC1 ZINC001464125991 1068624310 /nfs/dbraw/zinc/62/43/10/1068624310.db2.gz QUWIMHCDAIISGU-UHFFFAOYSA-N 1 0 457.574 4.530 20 0 JJADRO O=C(Nc1ccccc1C(=O)NCC1([NH+]2CCSCC2)CCCC1)OCc1ccccc1 ZINC001464132244 1068627711 /nfs/dbraw/zinc/62/77/11/1068627711.db2.gz JTJOWGVKXRIPML-UHFFFAOYSA-N 1 0 453.608 4.527 20 0 JJADRO CCN(CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccsc1 ZINC001464138136 1068630472 /nfs/dbraw/zinc/63/04/72/1068630472.db2.gz CMXVWHFXJQSSNI-HSZRJFAPSA-N 1 0 456.633 4.535 20 0 JJADRO CC(C)(C)OC(=O)COc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC001464141392 1068631739 /nfs/dbraw/zinc/63/17/39/1068631739.db2.gz ZIYAQSSTAREULH-QFIPXVFZSA-N 1 0 458.986 4.627 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(I)cc(C)c1C)c1ccsc1 ZINC001464139521 1068631765 /nfs/dbraw/zinc/63/17/65/1068631765.db2.gz LDABXSVJHWVGNQ-GOSISDBHSA-N 1 0 456.393 4.782 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001464152638 1068634827 /nfs/dbraw/zinc/63/48/27/1068634827.db2.gz HUAIZHCIWGRRDL-SJORKVTESA-N 1 0 450.549 4.714 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC(C)(C)NC(=O)OCc3ccccc3)cc2)C1 ZINC001464154046 1068635044 /nfs/dbraw/zinc/63/50/44/1068635044.db2.gz MGWHULCHNPDBQT-NRFANRHFSA-N 1 0 451.611 4.630 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001464198231 1068652749 /nfs/dbraw/zinc/65/27/49/1068652749.db2.gz HHODVHROEGEZOV-UHFFFAOYSA-N 1 0 451.611 4.683 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1 ZINC001464205541 1068656243 /nfs/dbraw/zinc/65/62/43/1068656243.db2.gz LVUALVPUUYRPCL-QHCPKHFHSA-N 1 0 459.999 4.628 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCCN3C(=O)OC(C)(C)C)cc2)C1 ZINC001464209108 1068658770 /nfs/dbraw/zinc/65/87/70/1068658770.db2.gz FAYCPXIZAQBBIC-IMSXRSKXSA-N 1 0 457.659 4.960 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001464215110 1068660390 /nfs/dbraw/zinc/66/03/90/1068660390.db2.gz IOKZTALGCDQBGX-LVCYWYKZSA-N 1 0 452.039 4.780 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccc(NC(=O)N(C)C)cc3Cl)cc2)C1 ZINC001464215996 1068660435 /nfs/dbraw/zinc/66/04/35/1068660435.db2.gz XUHQOCGOFPGFKH-HDICACEKSA-N 1 0 457.018 4.841 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2scc(Br)c2Br)C1 ZINC001464218116 1068661780 /nfs/dbraw/zinc/66/17/80/1068661780.db2.gz OHWFEFPTESCLLR-TXEJJXNPSA-N 1 0 452.256 4.761 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)C1 ZINC001464221709 1068663666 /nfs/dbraw/zinc/66/36/66/1068663666.db2.gz XMMWQNXLMFZLKC-ZRCGQRJVSA-N 1 0 457.659 4.729 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC001464222527 1068663818 /nfs/dbraw/zinc/66/38/18/1068663818.db2.gz YYRZKAUCJHNDFZ-KBPBESRZSA-N 1 0 451.327 4.836 20 0 JJADRO COC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CCCCN1C(=O)OC(C)(C)C ZINC001464250831 1068675924 /nfs/dbraw/zinc/67/59/24/1068675924.db2.gz YWKHCMRZNUFPBU-AREMUKBSSA-N 1 0 459.631 4.663 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)/C=C\c3ccc(I)o3)cc2)CC1 ZINC001464250392 1068675987 /nfs/dbraw/zinc/67/59/87/1068675987.db2.gz VUYGLUCXBBEPLG-CLFYSBASSA-N 1 0 450.320 4.768 20 0 JJADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001464281080 1068689319 /nfs/dbraw/zinc/68/93/19/1068689319.db2.gz KWNGEBBKMDATRZ-ISKFKSNPSA-N 1 0 458.021 4.687 20 0 JJADRO Cc1ccc(Cc2cnc(NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)s2)cc1Cl ZINC001464306892 1068699592 /nfs/dbraw/zinc/69/95/92/1068699592.db2.gz YFICLEOYDLSROL-UHFFFAOYSA-N 1 0 455.027 4.695 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)[NH+]1CCCCC1 ZINC001464327337 1068707366 /nfs/dbraw/zinc/70/73/66/1068707366.db2.gz CJQDOYXUNKGBNC-UACNQURRSA-N 1 0 454.567 4.600 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)[NH+]1CCCCC1 ZINC001464326740 1068707432 /nfs/dbraw/zinc/70/74/32/1068707432.db2.gz AJWHVMALUILEFJ-QFIPXVFZSA-N 1 0 450.970 4.763 20 0 JJADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1csc(-c2cc(Br)ccc2OC)n1 ZINC001464369870 1068721058 /nfs/dbraw/zinc/72/10/58/1068721058.db2.gz FXSQMYPFTKTIGM-CQSZACIVSA-N 1 0 454.434 4.822 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CCCCC1 ZINC001464442164 1068747279 /nfs/dbraw/zinc/74/72/79/1068747279.db2.gz VLYFJNWGHCKRHO-UHFFFAOYSA-N 1 0 454.558 4.905 20 0 JJADRO CC[C@@H](C)n1c(SCC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)nnc1-c1ccccc1 ZINC001464458290 1068753764 /nfs/dbraw/zinc/75/37/64/1068753764.db2.gz AYYBKZSUGAYBQM-HSALFYBXSA-N 1 0 457.688 4.881 20 0 JJADRO CC[C@H](C)n1c(SCC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccccc1 ZINC001464458265 1068753838 /nfs/dbraw/zinc/75/38/38/1068753838.db2.gz AYYBKZSUGAYBQM-AQNXPRMDSA-N 1 0 457.688 4.881 20 0 JJADRO O=C(c1cc(Cl)ccc1Sc1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001464460889 1068755024 /nfs/dbraw/zinc/75/50/24/1068755024.db2.gz NIJDTUOPYLPKIZ-INIZCTEOSA-N 1 0 451.419 4.939 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001464462068 1068755506 /nfs/dbraw/zinc/75/55/06/1068755506.db2.gz FRYGZAREHKNBSI-ROUUACIJSA-N 1 0 453.652 4.975 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001464462066 1068755547 /nfs/dbraw/zinc/75/55/47/1068755547.db2.gz FRYGZAREHKNBSI-QZTJIDSGSA-N 1 0 453.652 4.975 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(CCc2ccccc2)n1)c1ccc(C(F)(F)F)cc1 ZINC001464491528 1068765216 /nfs/dbraw/zinc/76/52/16/1068765216.db2.gz FOMHPKRWKZYWEQ-QHCPKHFHSA-N 1 0 458.528 4.958 20 0 JJADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464505912 1068767934 /nfs/dbraw/zinc/76/79/34/1068767934.db2.gz PLLUJRJGJNFGIC-QHCPKHFHSA-N 1 0 457.590 4.762 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001464536296 1068774968 /nfs/dbraw/zinc/77/49/68/1068774968.db2.gz AKISDNOMAYNSJP-DEOSSOPVSA-N 1 0 455.643 4.924 20 0 JJADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(I)c(Cl)cc2Cl)CC1 ZINC001464537325 1068775554 /nfs/dbraw/zinc/77/55/54/1068775554.db2.gz OMZLYJPTSQYLEE-UHFFFAOYSA-N 1 0 455.167 4.544 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C)[NH+](C)C ZINC001464537961 1068775607 /nfs/dbraw/zinc/77/56/07/1068775607.db2.gz HRFQLAJXDKWRNO-RXYZOABWSA-N 1 0 451.442 4.997 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(NC(N)=O)c1)[NH+](C)C ZINC001464552322 1068779485 /nfs/dbraw/zinc/77/94/85/1068779485.db2.gz WMEREFSPRHYHCP-HXUWFJFHSA-N 1 0 451.398 4.713 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(NC(N)=O)c1)[NH+](C)C ZINC001464552321 1068779723 /nfs/dbraw/zinc/77/97/23/1068779723.db2.gz WMEREFSPRHYHCP-FQEVSTJZSA-N 1 0 451.398 4.713 20 0 JJADRO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001464555869 1068780437 /nfs/dbraw/zinc/78/04/37/1068780437.db2.gz XVGRXDKXFPKTOX-LJQANCHMSA-N 1 0 457.018 4.902 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC001464559126 1068781367 /nfs/dbraw/zinc/78/13/67/1068781367.db2.gz JJHPAFISZPLNAC-INIZCTEOSA-N 1 0 455.965 4.502 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)[NH+]2CCCC2)cc1 ZINC001464583283 1068790959 /nfs/dbraw/zinc/79/09/59/1068790959.db2.gz IJCGIGBFWGOHEL-FQEVSTJZSA-N 1 0 454.368 4.578 20 0 JJADRO Cc1cc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c(C)s1 ZINC001464634707 1068805704 /nfs/dbraw/zinc/80/57/04/1068805704.db2.gz DYJMIXWDDXQBPD-UHFFFAOYSA-N 1 0 451.430 4.681 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001464637910 1068806803 /nfs/dbraw/zinc/80/68/03/1068806803.db2.gz GPNLCCUOKSCJQE-OAQYLSRUSA-N 1 0 458.002 4.769 20 0 JJADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001464667166 1068818082 /nfs/dbraw/zinc/81/80/82/1068818082.db2.gz XNGVURVBOHDPIT-UHFFFAOYSA-N 1 0 456.505 4.620 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001464670552 1068818955 /nfs/dbraw/zinc/81/89/55/1068818955.db2.gz PPRCKWHPVWEOKZ-PPJWLVRDSA-N 1 0 480.628 4.734 20 0 JJADRO C[C@@]1(NS(=O)(=O)c2c(Cl)ccnc2Cl)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464683481 1068823863 /nfs/dbraw/zinc/82/38/63/1068823863.db2.gz BRWYRIMTTSXWGQ-WMZHIEFXSA-N 1 0 476.429 4.725 20 0 JJADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCc4ccccc43)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164386819 718813651 /nfs/dbraw/zinc/81/36/51/718813651.db2.gz AQNXJPKFLCUZBJ-JOCHJYFZSA-N 1 0 490.692 4.755 20 0 JJADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCc4ccccc43)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164386820 718813774 /nfs/dbraw/zinc/81/37/74/718813774.db2.gz AQNXJPKFLCUZBJ-QFIPXVFZSA-N 1 0 490.692 4.755 20 0 JJADRO FC(F)(F)[C@H]1N(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)CCC12CC[NH2+]CC2 ZINC001164387409 718814387 /nfs/dbraw/zinc/81/43/87/718814387.db2.gz GMMTUEPSFGPVMJ-AWEZNQCLSA-N 1 0 455.258 4.992 20 0 JJADRO FC(F)(F)[C@@H]1N(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)CCC12CC[NH2+]CC2 ZINC001164387428 718814398 /nfs/dbraw/zinc/81/43/98/718814398.db2.gz GMMTUEPSFGPVMJ-CQSZACIVSA-N 1 0 455.258 4.992 20 0 JJADRO FC(F)(F)[C@H]1N(C(F)(F)c2cc(-c3cccs3)nnc2Cl)CCC12CC[NH2+]CC2 ZINC001164387324 718815421 /nfs/dbraw/zinc/81/54/21/718815421.db2.gz FRTSVSYGEOATCM-HNNXBMFYSA-N 1 0 452.880 4.914 20 0 JJADRO FC(F)(F)[C@H]1N(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)CCC12CC[NH2+]CC2 ZINC001164389458 718815563 /nfs/dbraw/zinc/81/55/63/718815563.db2.gz WKBCJEUSZPRNMT-QFIPXVFZSA-N 1 0 479.616 4.677 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c(Cl)nn2)c1 ZINC001164387988 718815720 /nfs/dbraw/zinc/81/57/20/718815720.db2.gz LJMPODIUDUWHDX-SFHVURJKSA-N 1 0 476.877 4.861 20 0 JJADRO F[C@@]1(N2CCCCC23CC[NH2+]CC3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164422197 718910754 /nfs/dbraw/zinc/91/07/54/718910754.db2.gz WQBXUVNFVTZIEH-HSZRJFAPSA-N 1 0 464.416 4.530 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@H]3C)nc1 ZINC001164427558 718952099 /nfs/dbraw/zinc/95/20/99/718952099.db2.gz FIFKWXCVQMVONM-OZXSUGGESA-N 1 0 491.680 4.509 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164614894 719008067 /nfs/dbraw/zinc/00/80/67/719008067.db2.gz GVIKVTWNICXJOZ-JTSKRJEESA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164615176 719009547 /nfs/dbraw/zinc/00/95/47/719009547.db2.gz HGHFBRMETVOWBO-VGSWGCGISA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164618245 719012004 /nfs/dbraw/zinc/01/20/04/719012004.db2.gz RLWKFIWYGZEASL-XXBNENTESA-N 1 0 479.955 4.689 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(-c4ccc(C)cc4)c4ccccc43)CC2)CC1 ZINC001164616571 719031243 /nfs/dbraw/zinc/03/12/43/719031243.db2.gz FNAHGRBXXFEWNV-UHFFFAOYSA-N 1 0 458.606 4.849 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(CN4CCCCC4)nc4sc(C)c(C)c43)CC2)CC1 ZINC001164618539 719031809 /nfs/dbraw/zinc/03/18/09/719031809.db2.gz UMCAUMUOKIUWPY-UHFFFAOYSA-N 1 0 499.725 4.538 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC2)CC1 ZINC001164616473 719034192 /nfs/dbraw/zinc/03/41/92/719034192.db2.gz CXXFTRWWPVWRTI-UHFFFAOYSA-N 1 0 478.971 4.586 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164647090 719291061 /nfs/dbraw/zinc/29/10/61/719291061.db2.gz QTMIPWZVKSHLDZ-CWFSZBLJSA-N 1 0 478.996 4.957 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164663188 719344529 /nfs/dbraw/zinc/34/45/29/719344529.db2.gz VVTFKEAKZJNIDG-VSKRKVRLSA-N 1 0 467.988 4.600 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164663185 719344571 /nfs/dbraw/zinc/34/45/71/719344571.db2.gz VVTFKEAKZJNIDG-BDTNDASRSA-N 1 0 467.988 4.600 20 0 JJADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]ccc3cc(OC)ccc31)CC2 ZINC001164664097 719347328 /nfs/dbraw/zinc/34/73/28/719347328.db2.gz QWIKPHKOHOOOCW-UHFFFAOYSA-N 1 0 453.590 4.938 20 0 JJADRO CC(C)N(C)Cc1nn(-c2cc(-c3ccc(Cl)nc3)ccc2C2OCCCO2)c2c1CC[NH2+]C2 ZINC001164679743 719633366 /nfs/dbraw/zinc/63/33/66/719633366.db2.gz LJBKGAZORQAVDD-UHFFFAOYSA-N 1 0 482.028 4.509 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4cccc(F)c43)CC2)c2ccccc21 ZINC001164679927 719665008 /nfs/dbraw/zinc/66/50/08/719665008.db2.gz AJDNIEMDQPFLRS-SFHVURJKSA-N 1 0 496.030 4.516 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)c(F)c3)CC2)c2ccccc21 ZINC001164680452 719666780 /nfs/dbraw/zinc/66/67/80/719666780.db2.gz FIABHYNBCQNGCK-QGZVFWFLSA-N 1 0 494.989 4.512 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(F)(F)c3nc(Cl)ccc3F)CC2)c2ccccc21 ZINC001164680469 719667758 /nfs/dbraw/zinc/66/77/58/719667758.db2.gz FVRFCRWTIBLMRV-KRWDZBQOSA-N 1 0 494.989 4.512 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3nc(Cl)ccc3F)CC2)c2ccccc21 ZINC001164680470 719667811 /nfs/dbraw/zinc/66/78/11/719667811.db2.gz FVRFCRWTIBLMRV-QGZVFWFLSA-N 1 0 494.989 4.512 20 0 JJADRO CSc1ccnc(Cl)c1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684228 719673450 /nfs/dbraw/zinc/67/34/50/719673450.db2.gz SPJKUIWJJRTBIP-SFHVURJKSA-N 1 0 473.086 4.550 20 0 JJADRO CC(C)c1ccc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164684589 719677890 /nfs/dbraw/zinc/67/78/90/719677890.db2.gz UWBBYDVFEUKLDN-QHCPKHFHSA-N 1 0 485.676 4.847 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nnc(Cl)c4ccc(F)cc43)CC2)c2ccccc21 ZINC001164683526 719681082 /nfs/dbraw/zinc/68/10/82/719681082.db2.gz RZLINSCFCUXNLQ-SFHVURJKSA-N 1 0 496.030 4.516 20 0 JJADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164687959 719684425 /nfs/dbraw/zinc/68/44/25/719684425.db2.gz WXZOVSLNUZIRFM-LEWJYISDSA-N 1 0 488.680 4.565 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(NC(=O)OC(C)(C)C)c4nc[nH]c42)CC3)cs1 ZINC001164692213 719812637 /nfs/dbraw/zinc/81/26/37/719812637.db2.gz OHFDTRHEJNQULG-UHFFFAOYSA-N 1 0 483.642 4.705 20 0 JJADRO CCc1nc2sc3c(c2c(N2CCC4(CC2)C[N@H+](Cc2cccs2)CCO4)n1)CCC3 ZINC001164698366 719897802 /nfs/dbraw/zinc/89/78/02/719897802.db2.gz SATIMHYZONDJAT-UHFFFAOYSA-N 1 0 454.665 4.675 20 0 JJADRO Clc1ncc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Oc2ccccc2)n1 ZINC001164705876 719906163 /nfs/dbraw/zinc/90/61/63/719906163.db2.gz DYZOWRWFKVIZBW-UHFFFAOYSA-N 1 0 456.999 4.855 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)C2 ZINC001164808469 720092320 /nfs/dbraw/zinc/09/23/20/720092320.db2.gz HQTRRLIAGYESDY-PPHZAIPVSA-N 1 0 464.560 4.760 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)C2 ZINC001164808472 720092956 /nfs/dbraw/zinc/09/29/56/720092956.db2.gz HQTRRLIAGYESDY-UZTOHYMASA-N 1 0 464.560 4.760 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164815833 720094170 /nfs/dbraw/zinc/09/41/70/720094170.db2.gz ZZOPADVQWHJJQG-NFBKMPQASA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164710706 720099648 /nfs/dbraw/zinc/09/96/48/720099648.db2.gz LFYFBPFDUFTVOD-QGZVFWFLSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164806714 720100805 /nfs/dbraw/zinc/10/08/05/720100805.db2.gz DAZPDCKURDNZPT-IIBYNOLFSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164808179 720112670 /nfs/dbraw/zinc/11/26/70/720112670.db2.gz DVWDMKSUOGJMHP-BTYIYWSLSA-N 1 0 487.378 4.546 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164715591 720112982 /nfs/dbraw/zinc/11/29/82/720112982.db2.gz IFXCOIQWPFEISU-QHCPKHFHSA-N 1 0 478.040 4.623 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164718053 720117867 /nfs/dbraw/zinc/11/78/67/720117867.db2.gz RCSDBAPCWSNCDQ-SFHVURJKSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164715475 720119176 /nfs/dbraw/zinc/11/91/76/720119176.db2.gz FZXQWOZPEOUCPY-QFIPXVFZSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164714936 720125159 /nfs/dbraw/zinc/12/51/59/720125159.db2.gz FRVLQRRCCWMFHG-HXUWFJFHSA-N 1 0 487.044 4.593 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164809719 720126437 /nfs/dbraw/zinc/12/64/37/720126437.db2.gz IMTXQHHBRXLCIC-IIBYNOLFSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3c4ccccc4oc31)CC2 ZINC001164718041 720129078 /nfs/dbraw/zinc/12/90/78/720129078.db2.gz QQMBUKOQDRAGSG-OAQYLSRUSA-N 1 0 457.578 4.587 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Oc3ccc(SC)cc3)ncn1)CC2 ZINC001164714784 720134796 /nfs/dbraw/zinc/13/47/96/720134796.db2.gz ZAQKHDMRBRAFPB-QFIPXVFZSA-N 1 0 491.661 4.893 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3sc4c(c31)CCCC4)CC2 ZINC001164712097 720138992 /nfs/dbraw/zinc/13/89/92/720138992.db2.gz KNDSBXXGUMVGQK-NRFANRHFSA-N 1 0 477.678 4.781 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3sc4c(c31)CCCC4)CC2 ZINC001164712103 720139006 /nfs/dbraw/zinc/13/90/06/720139006.db2.gz KNDSBXXGUMVGQK-OAQYLSRUSA-N 1 0 477.678 4.781 20 0 JJADRO CCc1nc2sc3c(c2c(N2CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC2)n1)CCC3 ZINC001164711710 720140449 /nfs/dbraw/zinc/14/04/49/720140449.db2.gz IGUPFICHEPGVGY-FQEVSTJZSA-N 1 0 477.678 4.645 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CC2 ZINC001164712503 720141022 /nfs/dbraw/zinc/14/10/22/720141022.db2.gz MXOKSRDSBCVTDQ-NRFANRHFSA-N 1 0 498.002 4.964 20 0 JJADRO CCc1ccc(-c2ccc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)nn2)cc1 ZINC001164711337 720149235 /nfs/dbraw/zinc/14/92/35/720149235.db2.gz HIYUIPNARWPJCR-RUZDIDTESA-N 1 0 457.622 4.609 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164710447 720151273 /nfs/dbraw/zinc/15/12/73/720151273.db2.gz BMXZCNVUBGARAN-LJQANCHMSA-N 1 0 471.527 4.609 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(Cl)ccc(F)c3n1)CC2 ZINC001164710430 720152795 /nfs/dbraw/zinc/15/27/95/720152795.db2.gz BLAXFDOAPLWNIK-IBGZPJMESA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c(F)cccc13)CC2 ZINC001164714485 720154725 /nfs/dbraw/zinc/15/47/25/720154725.db2.gz PSLDNKSZIGGZPP-IBGZPJMESA-N 1 0 454.977 4.930 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164713127 720155152 /nfs/dbraw/zinc/15/51/52/720155152.db2.gz REABULPFKPBVDA-XMMPIXPASA-N 1 0 494.039 4.612 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Sc1ccc(Cl)nc1)CC2 ZINC001164713994 720155790 /nfs/dbraw/zinc/15/57/90/720155790.db2.gz NHGOJPBBSULGHM-GOSISDBHSA-N 1 0 469.001 4.776 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164711226 720158103 /nfs/dbraw/zinc/15/81/03/720158103.db2.gz ABXGHPXHSKLDPO-OAQYLSRUSA-N 1 0 476.999 4.758 20 0 JJADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164812425 720183048 /nfs/dbraw/zinc/18/30/48/720183048.db2.gz ANYPVHXUQYAJHE-IDISGSTGSA-N 1 0 478.662 4.689 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)C2 ZINC001164810173 720197548 /nfs/dbraw/zinc/19/75/48/720197548.db2.gz ABGXMEYLQQXBBO-GAJHUEQPSA-N 1 0 463.409 4.760 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccc3)nc3ccc(Cl)cc31)CCC2 ZINC001164812598 720226841 /nfs/dbraw/zinc/22/68/41/720226841.db2.gz GZUJULQTOCHPKC-UHFFFAOYSA-N 1 0 489.023 4.757 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)CC1 ZINC001164818934 720306031 /nfs/dbraw/zinc/30/60/31/720306031.db2.gz BTVLRUVVYLWPJW-PKTZIBPZSA-N 1 0 489.010 4.858 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC1 ZINC001164828289 720313390 /nfs/dbraw/zinc/31/33/90/720313390.db2.gz ZWAWQKNVHWUJGT-SFTDATJTSA-N 1 0 497.417 4.998 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001164832963 720317257 /nfs/dbraw/zinc/31/72/57/720317257.db2.gz VBTIWVDJFJUDRN-LOSJGSFVSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001164823513 720356177 /nfs/dbraw/zinc/35/61/77/720356177.db2.gz GNVQCHWNQSSWLI-PMACEKPBSA-N 1 0 495.039 4.920 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001164823514 720356275 /nfs/dbraw/zinc/35/62/75/720356275.db2.gz GNVQCHWNQSSWLI-UXHICEINSA-N 1 0 495.039 4.920 20 0 JJADRO Cc1nc2c(cc(-c3nc(N4CC[C@@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730995 720384863 /nfs/dbraw/zinc/38/48/63/720384863.db2.gz XSHDXGOUZCBFCT-DHIUTWEWSA-N 1 0 489.574 4.909 20 0 JJADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730894 720409183 /nfs/dbraw/zinc/40/91/83/720409183.db2.gz JNSBFXXWLAAXPI-YADHBBJMSA-N 1 0 480.971 4.966 20 0 JJADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730924 720434841 /nfs/dbraw/zinc/43/48/41/720434841.db2.gz JUBFXCZRUVUPTN-FGZHOGPDSA-N 1 0 468.630 4.880 20 0 JJADRO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@H]2CC[N@@H+]4Cc2cccnc2)n1)CCCC3 ZINC001164734815 720440395 /nfs/dbraw/zinc/44/03/95/720440395.db2.gz UWDROGNGWYYASM-RBUKOAKNSA-N 1 0 451.665 4.681 20 0 JJADRO O[C@H]1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@H]1Cc1ccccc1 ZINC001164834764 720490608 /nfs/dbraw/zinc/49/06/08/720490608.db2.gz UPFCQBWLFBOUCJ-UIOOFZCWSA-N 1 0 490.047 4.939 20 0 JJADRO O[C@H]1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@@H]1Cc1ccccc1 ZINC001164834762 720491067 /nfs/dbraw/zinc/49/10/67/720491067.db2.gz UPFCQBWLFBOUCJ-FTJBHMTQSA-N 1 0 490.047 4.939 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832393 720523851 /nfs/dbraw/zinc/52/38/51/720523851.db2.gz ANUBNUWFASSRLL-UNWVZKJWSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)CC[C@@H]21 ZINC001164842034 720538446 /nfs/dbraw/zinc/53/84/46/720538446.db2.gz WEOHCJJCKQGOSY-KNBMTAEXSA-N 1 0 478.950 4.542 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164735866 720545443 /nfs/dbraw/zinc/54/54/43/720545443.db2.gz SODAMXIWWVHRFK-QGZVFWFLSA-N 1 0 450.961 4.858 20 0 JJADRO CC(C)(C)N(c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734065 720546123 /nfs/dbraw/zinc/54/61/23/720546123.db2.gz GYAKMRBETHJDOR-IBGZPJMESA-N 1 0 483.726 4.682 20 0 JJADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164734717 720546163 /nfs/dbraw/zinc/54/61/63/720546163.db2.gz KTZRZHYDIQYJPO-AWEZNQCLSA-N 1 0 456.990 4.919 20 0 JJADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164734718 720546399 /nfs/dbraw/zinc/54/63/99/720546399.db2.gz KTZRZHYDIQYJPO-CQSZACIVSA-N 1 0 456.990 4.919 20 0 JJADRO CSc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1Cl ZINC001164837395 720558043 /nfs/dbraw/zinc/55/80/43/720558043.db2.gz MFSQJVHOWIFWGD-IXDOHACOSA-N 1 0 456.006 4.576 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164729555 720569156 /nfs/dbraw/zinc/56/91/56/720569156.db2.gz QTPRPCHZDABMFB-UHFFFAOYSA-N 1 0 456.569 4.599 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1C ZINC001164736889 720580372 /nfs/dbraw/zinc/58/03/72/720580372.db2.gz VHUOUFNXRACVJT-UHFFFAOYSA-N 1 0 464.664 4.892 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC[C@@H]21 ZINC001164842185 720582618 /nfs/dbraw/zinc/58/26/18/720582618.db2.gz UIIKYVRKWNMANW-QKDODKLFSA-N 1 0 487.648 4.758 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)c1 ZINC001164736281 720585229 /nfs/dbraw/zinc/58/52/29/720585229.db2.gz GNWFDHBXZNMOAS-UHFFFAOYSA-N 1 0 456.619 4.727 20 0 JJADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164836782 720591272 /nfs/dbraw/zinc/59/12/72/720591272.db2.gz GWLBNKDVELBPSU-JTDSTZFVSA-N 1 0 456.006 4.576 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c(Cl)nn2)c1 ZINC001164738059 720596866 /nfs/dbraw/zinc/59/68/66/720596866.db2.gz AAZGRGPOLJFKDX-UHFFFAOYSA-N 1 0 472.971 4.505 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccsc4)nc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839756 720607353 /nfs/dbraw/zinc/60/73/53/720607353.db2.gz OLZPEDDAERCCLI-AWRGLXIESA-N 1 0 458.635 4.933 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@@H]21 ZINC001164844188 720610027 /nfs/dbraw/zinc/61/00/27/720610027.db2.gz ZTBOZWMEOZJPOM-JTAQYXEDSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842195 720619282 /nfs/dbraw/zinc/61/92/82/720619282.db2.gz UJLLDCAPRFTSLK-HLAWJBBLSA-N 1 0 454.981 4.510 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4ccc(Cl)nn4)ccc3F)CC[C@@H]21 ZINC001164837733 720621211 /nfs/dbraw/zinc/62/12/11/720621211.db2.gz ISKUOSITHKREGK-IPJJNNNSSA-N 1 0 454.981 4.510 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@@H]21 ZINC001164838322 720630441 /nfs/dbraw/zinc/63/04/41/720630441.db2.gz KTLYANVWOBVAGG-RRPUWOKSSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@@H]21 ZINC001164836594 720630765 /nfs/dbraw/zinc/63/07/65/720630765.db2.gz FXYJXJNDPLRIQR-NWSQWKLXSA-N 1 0 486.998 4.916 20 0 JJADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1 ZINC001164840460 720644312 /nfs/dbraw/zinc/64/43/12/720644312.db2.gz MPUNEOIEVQIQDJ-XQBPLPMBSA-N 1 0 483.016 4.505 20 0 JJADRO COCc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccccc2)n1 ZINC001164836948 720664480 /nfs/dbraw/zinc/66/44/80/720664480.db2.gz AIAUOZTVZLXFKD-VWLOTQADSA-N 1 0 458.606 4.550 20 0 JJADRO COc1cc2nc(Cl)nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164845354 720681627 /nfs/dbraw/zinc/68/16/27/720681627.db2.gz YQCSTSMSBLKRKS-IBGZPJMESA-N 1 0 483.012 4.560 20 0 JJADRO Clc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1-c1ccccc1 ZINC001164742582 720693662 /nfs/dbraw/zinc/69/36/62/720693662.db2.gz VUJGFMLUNJLSOZ-FCHUYYIVSA-N 1 0 484.991 4.596 20 0 JJADRO COc1cccc(Oc2cncc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)c1 ZINC001164841784 720702667 /nfs/dbraw/zinc/70/26/67/720702667.db2.gz XAENUMNTWVNLCW-JOCHJYFZSA-N 1 0 460.578 4.537 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164838207 720707133 /nfs/dbraw/zinc/70/71/33/720707133.db2.gz HMTVSIHMZHJNGZ-JOCHJYFZSA-N 1 0 461.610 4.689 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164842343 720708346 /nfs/dbraw/zinc/70/83/46/720708346.db2.gz YNJAISORADPWSZ-SANMLTNESA-N 1 0 480.612 4.985 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164842894 720710433 /nfs/dbraw/zinc/71/04/33/720710433.db2.gz ZXQAPKLUCPPWJP-KRWDZBQOSA-N 1 0 458.393 4.592 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164839733 720715059 /nfs/dbraw/zinc/71/50/59/720715059.db2.gz MRGWBIKCCVUUAC-QHCPKHFHSA-N 1 0 483.056 4.667 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164837657 720726375 /nfs/dbraw/zinc/72/63/75/720726375.db2.gz FWZZPSPWTIGSQZ-DEOSSOPVSA-N 1 0 479.024 4.969 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)CC2 ZINC001164837036 720726774 /nfs/dbraw/zinc/72/67/74/720726774.db2.gz CZUZSFRSLQOFBW-IBGZPJMESA-N 1 0 494.970 4.632 20 0 JJADRO FC(F)(c1cccc2c(Cl)nccc21)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844346 720742666 /nfs/dbraw/zinc/74/26/66/720742666.db2.gz QDOBZVKFWPTVMM-UHFFFAOYSA-N 1 0 480.950 4.791 20 0 JJADRO COC[C@@]12CCC[C@@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)C2 ZINC001164849626 720790125 /nfs/dbraw/zinc/79/01/25/720790125.db2.gz SEHRAJBHVSGWHJ-IBVKSMDESA-N 1 0 482.024 4.650 20 0 JJADRO COC[C@@]12CCC[C@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)C2 ZINC001164849622 720790151 /nfs/dbraw/zinc/79/01/51/720790151.db2.gz SEHRAJBHVSGWHJ-FNZWTVRRSA-N 1 0 482.024 4.650 20 0 JJADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741474 720820434 /nfs/dbraw/zinc/82/04/34/720820434.db2.gz NVUWWCXQDRCFGQ-QXTIUPHPSA-N 1 0 491.643 4.782 20 0 JJADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164737702 720826611 /nfs/dbraw/zinc/82/66/11/720826611.db2.gz CDRAZVYFMXSGIM-GMQQYTKMSA-N 1 0 491.643 4.782 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164745158 720836916 /nfs/dbraw/zinc/83/69/16/720836916.db2.gz MAELMRLXHVLCPK-CLCZQPDDSA-N 1 0 479.632 4.576 20 0 JJADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748300 720837367 /nfs/dbraw/zinc/83/73/67/720837367.db2.gz SXCUKBITBKPMLH-FUHIMQAGSA-N 1 0 487.435 4.521 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164750276 720845672 /nfs/dbraw/zinc/84/56/72/720845672.db2.gz WYSCEFBHGBUKPJ-FKCDAAJZSA-N 1 0 479.632 4.576 20 0 JJADRO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc12 ZINC001164747149 720856700 /nfs/dbraw/zinc/85/67/00/720856700.db2.gz HZPWCMYHWILWHL-XGHQBKJUSA-N 1 0 457.409 4.513 20 0 JJADRO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2n1 ZINC001164751135 720857073 /nfs/dbraw/zinc/85/70/73/720857073.db2.gz QHMGHXUVKQLJGW-WSTZPKSXSA-N 1 0 457.409 4.513 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164753057 720862033 /nfs/dbraw/zinc/86/20/33/720862033.db2.gz VSUICSNHJFEIMZ-SELNLUPBSA-N 1 0 491.030 4.520 20 0 JJADRO COc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(C)cc2c1 ZINC001164754913 720869606 /nfs/dbraw/zinc/86/96/06/720869606.db2.gz UMUYZZUZKYUCQF-SVEHJYQDSA-N 1 0 472.633 4.702 20 0 JJADRO Clc1cc(-c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)ccn1 ZINC001164752463 720880284 /nfs/dbraw/zinc/88/02/84/720880284.db2.gz NBDZKCMYWDOFOY-LEAFIULHSA-N 1 0 490.051 4.947 20 0 JJADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(Cl)c(Cl)c4)c4ccccc43)CC[C@@H]2C1 ZINC001164863937 720882876 /nfs/dbraw/zinc/88/28/76/720882876.db2.gz UYOFKQAVFUDSKM-WZONZLPQSA-N 1 0 487.431 4.777 20 0 JJADRO CSc1nc2ccsc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758149 720886246 /nfs/dbraw/zinc/88/62/46/720886246.db2.gz XDMYLYJVHCEAPU-NBGIEHNGSA-N 1 0 481.691 4.563 20 0 JJADRO CSc1nc2ccsc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758150 720886303 /nfs/dbraw/zinc/88/63/03/720886303.db2.gz XDMYLYJVHCEAPU-NLFFAJNJSA-N 1 0 481.691 4.563 20 0 JJADRO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164758417 720886809 /nfs/dbraw/zinc/88/68/09/720886809.db2.gz XVTHCEVSVUCPDX-CUNXSJBXSA-N 1 0 478.040 4.742 20 0 JJADRO Cc1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164758418 720887141 /nfs/dbraw/zinc/88/71/41/720887141.db2.gz XVTHCEVSVUCPDX-WXVAWEFUSA-N 1 0 478.040 4.742 20 0 JJADRO Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCCCC2 ZINC001164752509 720887780 /nfs/dbraw/zinc/88/77/80/720887780.db2.gz DVYLKYPPRROLML-AJTFRIOCSA-N 1 0 482.072 4.549 20 0 JJADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756056 720889294 /nfs/dbraw/zinc/88/92/94/720889294.db2.gz OHBVJNUNSFAEQJ-XXBNENTESA-N 1 0 480.962 4.569 20 0 JJADRO Clc1cccc(-c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)n1 ZINC001164749847 720890298 /nfs/dbraw/zinc/89/02/98/720890298.db2.gz ASXZXZNKQRHKQZ-FIPFOOKPSA-N 1 0 490.051 4.947 20 0 JJADRO CSc1ccnc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757819 720896329 /nfs/dbraw/zinc/89/63/29/720896329.db2.gz VSVHVPASZHKSSM-YKSBVNFPSA-N 1 0 459.059 4.607 20 0 JJADRO COc1ccc2c(C)cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164757856 720896351 /nfs/dbraw/zinc/89/63/51/720896351.db2.gz VXSYVWXJFSFVSD-FUFSCUOVSA-N 1 0 472.633 4.702 20 0 JJADRO COc1ccc2c(C)cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164757857 720896722 /nfs/dbraw/zinc/89/67/22/720896722.db2.gz VXSYVWXJFSFVSD-GIGWZHCTSA-N 1 0 472.633 4.702 20 0 JJADRO Cc1nc2c3ccccc3oc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753450 720897120 /nfs/dbraw/zinc/89/71/20/720897120.db2.gz GVSHKLPTBIRZNV-MUAVYFROSA-N 1 0 483.616 4.835 20 0 JJADRO c1ccc(COc2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164753885 720900531 /nfs/dbraw/zinc/90/05/31/720900531.db2.gz HOTQATZODNNQST-OFSOJUDTSA-N 1 0 484.644 4.811 20 0 JJADRO CSc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754238 720905912 /nfs/dbraw/zinc/90/59/12/720905912.db2.gz VBCSCGVSQSSGGY-RDPSFJRHSA-N 1 0 459.059 4.607 20 0 JJADRO Clc1cccc(-c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)c1 ZINC001164746490 720916167 /nfs/dbraw/zinc/91/61/67/720916167.db2.gz AYSUBMWCHBNGFT-RBJSKKJNSA-N 1 0 490.051 4.947 20 0 JJADRO FC(F)c1nc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755184 720919446 /nfs/dbraw/zinc/91/94/46/720919446.db2.gz ZJGVTNCFWDPXGC-ZBLYBZFDSA-N 1 0 479.575 4.718 20 0 JJADRO CCN(c1ccccc1)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164749094 720925756 /nfs/dbraw/zinc/92/57/56/720925756.db2.gz HSGAXAWGICVWQU-FREGXXQWSA-N 1 0 498.675 4.785 20 0 JJADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754295 720929608 /nfs/dbraw/zinc/92/96/08/720929608.db2.gz WAUIJMXFZWSHEN-OFSOJUDTSA-N 1 0 499.659 4.514 20 0 JJADRO CSc1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164751320 720932554 /nfs/dbraw/zinc/93/25/54/720932554.db2.gz LIHPBWSWCQRLDF-AMGIVPHBSA-N 1 0 475.662 4.502 20 0 JJADRO CSc1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164751318 720932566 /nfs/dbraw/zinc/93/25/66/720932566.db2.gz LIHPBWSWCQRLDF-AJTFRIOCSA-N 1 0 475.662 4.502 20 0 JJADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747406 720935329 /nfs/dbraw/zinc/93/53/29/720935329.db2.gz CZEAOYVPIPANSK-KCWPFWIISA-N 1 0 482.072 4.856 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)[C@@H]2C ZINC001164864220 721004382 /nfs/dbraw/zinc/00/43/82/721004382.db2.gz ZVBHCCXEXOOUEN-MRXNPFEDSA-N 1 0 460.960 4.960 20 0 JJADRO COc1ccc(-c2cc(C(F)(F)N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c(Cl)nn2)cc1 ZINC001164861723 721022939 /nfs/dbraw/zinc/02/29/39/721022939.db2.gz PHJORZOFHMHDMY-INIZCTEOSA-N 1 0 490.986 4.968 20 0 JJADRO CCn1nnc2c1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)[C@H]2COCc1ccccc1 ZINC001164774595 721047964 /nfs/dbraw/zinc/04/79/64/721047964.db2.gz XACFQMWYGQTBKF-NDEPHWFRSA-N 1 0 494.643 4.572 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164772189 721098570 /nfs/dbraw/zinc/09/85/70/721098570.db2.gz USJGUILZEMCVQF-PMACEKPBSA-N 1 0 476.987 4.781 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164772193 721100824 /nfs/dbraw/zinc/10/08/24/721100824.db2.gz USJGUILZEMCVQF-WOJBJXKFSA-N 1 0 476.987 4.781 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164770599 721116233 /nfs/dbraw/zinc/11/62/33/721116233.db2.gz RELBOINYQSDZQA-JKSUJKDBSA-N 1 0 466.363 4.778 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164770597 721117051 /nfs/dbraw/zinc/11/70/51/721117051.db2.gz RELBOINYQSDZQA-HOTGVXAUSA-N 1 0 466.363 4.778 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc(-c5ccc(-c6ccccc6)cc5)n4)C[C@@H]3C2)cn1 ZINC001164772789 721133887 /nfs/dbraw/zinc/13/38/87/721133887.db2.gz WXWGCZJSDGVWNQ-ZEQRLZLVSA-N 1 0 486.023 4.551 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c3ccccc32)cc1C ZINC001164878875 721141671 /nfs/dbraw/zinc/14/16/71/721141671.db2.gz QTYGHDNZUXZVBZ-DQEYMECFSA-N 1 0 465.601 4.788 20 0 JJADRO c1csc(-c2nc3sc4c(c3c(N3CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164872675 721143850 /nfs/dbraw/zinc/14/38/50/721143850.db2.gz IBYMHIVHNSPSIN-RTBURBONSA-N 1 0 489.670 4.783 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164874471 721144330 /nfs/dbraw/zinc/14/43/30/721144330.db2.gz KBYKZAPHSNBSKZ-UXHICEINSA-N 1 0 477.659 4.911 20 0 JJADRO c1csc(-c2nc3sc4c(c3c(N3CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C3)n2)CCC4)c1 ZINC001164872667 721145311 /nfs/dbraw/zinc/14/53/11/721145311.db2.gz IBYMHIVHNSPSIN-OALUTQOASA-N 1 0 489.670 4.783 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@@H]3C2)cn1 ZINC001164763379 721153151 /nfs/dbraw/zinc/15/31/51/721153151.db2.gz FJEJLZFHFIZNQR-PMACEKPBSA-N 1 0 476.987 4.781 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164767652 721172212 /nfs/dbraw/zinc/17/22/12/721172212.db2.gz KHMGGSPMTIGESS-OALUTQOASA-N 1 0 465.026 4.704 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@@H]3C2)cn1 ZINC001164764236 721215725 /nfs/dbraw/zinc/21/57/25/721215725.db2.gz GPBDANDZMMXRAY-VXKWHMMOSA-N 1 0 456.619 4.564 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@H]3C2)cn1 ZINC001164773849 721224438 /nfs/dbraw/zinc/22/44/38/721224438.db2.gz XJUQZDLGACZVMD-RTBURBONSA-N 1 0 475.946 4.778 20 0 JJADRO Cc1nc2c(cc(-c3nc(N4CC5(C4)CC[N@H+](CC4CC4)C5)ncc3F)cc2F)n1C(C)C ZINC001164774163 721288252 /nfs/dbraw/zinc/28/82/52/721288252.db2.gz XTDNXHMJAMEDSG-UHFFFAOYSA-N 1 0 452.553 4.583 20 0 JJADRO Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)CCO3)c1 ZINC001164775120 721305503 /nfs/dbraw/zinc/30/55/03/721305503.db2.gz QDKFNNSQQZWJEX-RUZDIDTESA-N 1 0 489.010 4.841 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164777699 721327811 /nfs/dbraw/zinc/32/78/11/721327811.db2.gz PJHAURXSJIDONU-FYYLOGMGSA-N 1 0 454.590 4.760 20 0 JJADRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc(C(C)C)cc43)C2)C1 ZINC001164778674 721331752 /nfs/dbraw/zinc/33/17/52/721331752.db2.gz YBJFDZMBZAQHDM-DEOSSOPVSA-N 1 0 455.628 4.539 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164786089 721365791 /nfs/dbraw/zinc/36/57/91/721365791.db2.gz WDFRHOSHNVKBJT-HHHXNRCGSA-N 1 0 469.674 4.795 20 0 JJADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164786169 721369797 /nfs/dbraw/zinc/36/97/97/721369797.db2.gz WRXAVIIOIONADU-AREMUKBSSA-N 1 0 455.647 4.621 20 0 JJADRO COc1cc2cnc(Cl)cc2cc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164786179 721377110 /nfs/dbraw/zinc/37/71/10/721377110.db2.gz UFIJEKJPCAANQM-VWLOTQADSA-N 1 0 471.001 4.621 20 0 JJADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@@]5(CCC[C@H]5COCc5ccncc5)C4)ccc3C2)cc1 ZINC001164780356 721383762 /nfs/dbraw/zinc/38/37/62/721383762.db2.gz GKNHROBAIZHETE-FIBWVYCGSA-N 1 0 484.644 4.627 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164886793 721398194 /nfs/dbraw/zinc/39/81/94/721398194.db2.gz GIBPXZDIGQBJBJ-YZNIXAGQSA-N 1 0 483.660 4.576 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C3)O2)CC1 ZINC001164887685 721404661 /nfs/dbraw/zinc/40/46/61/721404661.db2.gz MEYSSLWXWJUMNR-WZONZLPQSA-N 1 0 499.433 4.852 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887238 721419858 /nfs/dbraw/zinc/41/98/58/721419858.db2.gz LPYPIHVUCSJMCO-FIPFOOKPSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898359 721433455 /nfs/dbraw/zinc/43/34/55/721433455.db2.gz VUHVOYDOSRINJE-FIPFOOKPSA-N 1 0 492.067 4.716 20 0 JJADRO COc1ccc2c(c1)nc(N1CC[C@@]3(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O3)cc2-c1ccccc1 ZINC001164898348 721434575 /nfs/dbraw/zinc/43/45/75/721434575.db2.gz VTJKIZXKHANZFB-FYBSXPHGSA-N 1 0 486.660 4.676 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C3)O2)CC1 ZINC001164896850 721434628 /nfs/dbraw/zinc/43/46/28/721434628.db2.gz SFYZLHSYWGXBAA-QFQXNSOFSA-N 1 0 498.096 4.777 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@@H]3COCc3csc(C)n3)C2)nc1 ZINC001164787512 721445533 /nfs/dbraw/zinc/44/55/33/721445533.db2.gz XHJJPQDSKHWYCZ-NOOIUNMQSA-N 1 0 470.683 4.986 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164789854 721458330 /nfs/dbraw/zinc/45/83/30/721458330.db2.gz XSLXOVOFVUTWLQ-GOSISDBHSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164783588 721463488 /nfs/dbraw/zinc/46/34/88/721463488.db2.gz DODSTLPZTIKUIL-GOSISDBHSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164787376 721469042 /nfs/dbraw/zinc/46/90/42/721469042.db2.gz FDFVNJNTZASXCC-OAQYLSRUSA-N 1 0 489.035 4.670 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164787957 721473774 /nfs/dbraw/zinc/47/37/74/721473774.db2.gz GSFFSIQAPGWNGU-NRFANRHFSA-N 1 0 484.031 4.891 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CC2 ZINC001164792004 721492554 /nfs/dbraw/zinc/49/25/54/721492554.db2.gz JDILQGIYKGOJBJ-UHFFFAOYSA-N 1 0 489.067 4.922 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164791957 721496802 /nfs/dbraw/zinc/49/68/02/721496802.db2.gz GSIQYXQLXPLBNN-UHFFFAOYSA-N 1 0 470.596 4.895 20 0 JJADRO CCOC(=O)c1cc2c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164791926 721497515 /nfs/dbraw/zinc/49/75/15/721497515.db2.gz FCEARTROELBMMK-UHFFFAOYSA-N 1 0 461.610 4.632 20 0 JJADRO Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)o2)cc1 ZINC001164795438 721501035 /nfs/dbraw/zinc/50/10/35/721501035.db2.gz HAEFLQHRNJJVBW-UHFFFAOYSA-N 1 0 454.578 4.869 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164796216 721507778 /nfs/dbraw/zinc/50/77/78/721507778.db2.gz PTZSAWRATQXUDG-MBSDFSHPSA-N 1 0 460.956 4.737 20 0 JJADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)CC[N@@H+]3C2)c1 ZINC001164910226 721562039 /nfs/dbraw/zinc/56/20/39/721562039.db2.gz WBHRVMZMWQTPHQ-FPOVZHCZSA-N 1 0 474.914 4.823 20 0 JJADRO Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C ZINC001164811500 721585055 /nfs/dbraw/zinc/58/50/55/721585055.db2.gz XUBIPKIWRIHLOX-TZRRMPRUSA-N 1 0 464.013 4.677 20 0 JJADRO CSc1nc(Cl)cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908010 721586057 /nfs/dbraw/zinc/58/60/57/721586057.db2.gz XZFGYFFIBCRTGL-SFHVURJKSA-N 1 0 475.943 4.530 20 0 JJADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905519 721691685 /nfs/dbraw/zinc/69/16/85/721691685.db2.gz JQUGVMJGIUNNCQ-OAQYLSRUSA-N 1 0 479.909 4.961 20 0 JJADRO FC1(F)CCN(c2cc(-c3ccnc(Cl)c3)ccn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907489 721694665 /nfs/dbraw/zinc/69/46/65/721694665.db2.gz UKMIDLXVMSDGNG-HSZRJFAPSA-N 1 0 455.940 4.930 20 0 JJADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908691 721704965 /nfs/dbraw/zinc/70/49/65/721704965.db2.gz YNZGWWRQWQLQCG-HXUWFJFHSA-N 1 0 467.898 4.894 20 0 JJADRO FC1(F)CCN(c2nc(Cl)ncc2-c2ccccc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904807 721705418 /nfs/dbraw/zinc/70/54/18/721705418.db2.gz DFBDNTSJNXHAQM-HSZRJFAPSA-N 1 0 455.940 4.930 20 0 JJADRO Fc1cccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908226 721708855 /nfs/dbraw/zinc/70/88/55/721708855.db2.gz WMRHWFYKGSGCQX-AREMUKBSSA-N 1 0 492.549 4.751 20 0 JJADRO Fc1ccc(Oc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164908731 721713080 /nfs/dbraw/zinc/71/30/80/721713080.db2.gz YUVNSYJWGVSDOM-JOCHJYFZSA-N 1 0 490.917 4.589 20 0 JJADRO FC1(F)CCN(c2ccc(-c3ccccc3Cl)nn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904369 721714426 /nfs/dbraw/zinc/71/44/26/721714426.db2.gz CKHYXSVJGOPIAY-QHCPKHFHSA-N 1 0 455.940 4.930 20 0 JJADRO CCOC(=O)c1cc2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906771 721714955 /nfs/dbraw/zinc/71/49/55/721714955.db2.gz OAHMKWOWKQTIIM-RUZDIDTESA-N 1 0 466.532 4.544 20 0 JJADRO Fc1cccc(Oc2cncc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164904910 721716300 /nfs/dbraw/zinc/71/63/00/721716300.db2.gz FLDJYOSHOGOLKX-QHCPKHFHSA-N 1 0 455.484 4.541 20 0 JJADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905627 721721051 /nfs/dbraw/zinc/72/10/51/721721051.db2.gz IBXYNJYIKHWXPI-SFHVURJKSA-N 1 0 478.321 4.547 20 0 JJADRO FC1(F)CCN(c2nc(-c3ccccn3)nc3ccccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904281 721724130 /nfs/dbraw/zinc/72/41/30/721724130.db2.gz BFTLIAOSJJWYLP-AREMUKBSSA-N 1 0 472.543 4.825 20 0 JJADRO COc1ccc(Oc2cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc(C)n2)cc1 ZINC001164913382 721733491 /nfs/dbraw/zinc/73/34/91/721733491.db2.gz UWTQYULBHYYTLC-RUZDIDTESA-N 1 0 481.547 4.719 20 0 JJADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913541 721735373 /nfs/dbraw/zinc/73/53/73/721735373.db2.gz WXJAIDBMRRLGIP-GOSISDBHSA-N 1 0 479.305 4.946 20 0 JJADRO FC(F)(N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164913724 721738165 /nfs/dbraw/zinc/73/81/65/721738165.db2.gz XBDXNTGSXQEZMH-HXUWFJFHSA-N 1 0 468.926 4.988 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@@H]21 ZINC001165019538 721802189 /nfs/dbraw/zinc/80/21/89/721802189.db2.gz CWPRSWNJBGATQC-LKUPVBHCSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@@H]21 ZINC001165017812 721804296 /nfs/dbraw/zinc/80/42/96/721804296.db2.gz ATBCJQUXQBKMSV-QGCDCVKKSA-N 1 0 457.956 4.960 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@@H]21 ZINC001165022713 721817108 /nfs/dbraw/zinc/81/71/08/721817108.db2.gz GVRJTDGRGMYRQR-PLMTUMEDSA-N 1 0 457.956 4.960 20 0 JJADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165026293 721821656 /nfs/dbraw/zinc/82/16/56/721821656.db2.gz OQJYEBNRMIHPMZ-DJPFJPOOSA-N 1 0 478.971 4.589 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)C[C@H]21 ZINC001165027785 721823981 /nfs/dbraw/zinc/82/39/81/721823981.db2.gz UCKWUHLCYOMPOL-ROSOWXQZSA-N 1 0 450.590 4.824 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)C[C@@H]21 ZINC001165029064 721824549 /nfs/dbraw/zinc/82/45/49/721824549.db2.gz WURDTMLGZGSHNG-ILWGZMRPSA-N 1 0 456.619 4.885 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@@H]21 ZINC001165028851 721829989 /nfs/dbraw/zinc/82/99/89/721829989.db2.gz VTDARJAEOLRYCU-FGCOXFRFSA-N 1 0 464.013 4.841 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@H]21 ZINC001165028841 721830073 /nfs/dbraw/zinc/83/00/73/721830073.db2.gz VTDARJAEOLRYCU-AGILITTLSA-N 1 0 464.013 4.841 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc(Oc3cccc(F)c3)n2)CC1 ZINC001165023110 721842210 /nfs/dbraw/zinc/84/22/10/721842210.db2.gz XNHPLRBXGSKXGP-UHFFFAOYSA-N 1 0 487.963 4.574 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C(F)F)nc3ccc(F)cc32)CC1 ZINC001165031145 721844928 /nfs/dbraw/zinc/84/49/28/721844928.db2.gz VCMXFPMDLZNGFM-UHFFFAOYSA-N 1 0 460.500 4.825 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930932 721879534 /nfs/dbraw/zinc/87/95/34/721879534.db2.gz DLCXIWCEPPKEJL-PKTZIBPZSA-N 1 0 470.646 4.635 20 0 JJADRO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164954376 722003935 /nfs/dbraw/zinc/00/39/35/722003935.db2.gz WVDUHVHOBWLPQE-LOSJGSFVSA-N 1 0 461.613 4.817 20 0 JJADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164962720 722023066 /nfs/dbraw/zinc/02/30/66/722023066.db2.gz RNHKAKVRQQEEOA-DEOSSOPVSA-N 1 0 467.976 4.812 20 0 JJADRO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959054 722026321 /nfs/dbraw/zinc/02/63/21/722026321.db2.gz HQFXISUUOSVPDQ-IGYGKHONSA-N 1 0 498.671 4.936 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962935 722057965 /nfs/dbraw/zinc/05/79/65/722057965.db2.gz FZAUZCIDXINCNU-UHFFFAOYSA-N 1 0 499.993 4.856 20 0 JJADRO Clc1cc(C2CCCCC2)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164966347 722061868 /nfs/dbraw/zinc/06/18/68/722061868.db2.gz RHLOOQYNRJDFKG-UHFFFAOYSA-N 1 0 456.034 4.692 20 0 JJADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984711 722106787 /nfs/dbraw/zinc/10/67/87/722106787.db2.gz UDGMJYSBFYJBHA-OXJNMPFZSA-N 1 0 494.373 4.604 20 0 JJADRO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971370 722108198 /nfs/dbraw/zinc/10/81/98/722108198.db2.gz BMKOARPYFJUVBA-GGXMVOPNSA-N 1 0 477.612 4.933 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164982860 722108208 /nfs/dbraw/zinc/10/82/08/722108208.db2.gz PNKVMCYRRVTBTD-AJTFRIOCSA-N 1 0 499.590 4.567 20 0 JJADRO Fc1ccc(-c2csc3ncnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164985051 722138760 /nfs/dbraw/zinc/13/87/60/722138760.db2.gz YXZZDVIVEQDSBA-REWPJTCUSA-N 1 0 475.593 4.620 20 0 JJADRO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164985049 722139205 /nfs/dbraw/zinc/13/92/05/722139205.db2.gz YXZZDVIVEQDSBA-OFNKIYASSA-N 1 0 475.593 4.620 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164973234 722141442 /nfs/dbraw/zinc/14/14/42/722141442.db2.gz BNVAKLATDQXLAJ-TZIWHRDSSA-N 1 0 477.659 4.851 20 0 JJADRO Cc1sc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164983319 722141792 /nfs/dbraw/zinc/14/17/92/722141792.db2.gz UCNXKVHZNLULPX-DHIUTWEWSA-N 1 0 471.630 4.789 20 0 JJADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164980919 722148726 /nfs/dbraw/zinc/14/87/26/722148726.db2.gz NTQXWRVMVLDZLT-XUZZJYLKSA-N 1 0 464.013 4.536 20 0 JJADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976259 722153715 /nfs/dbraw/zinc/15/37/15/722153715.db2.gz WJWJSARZHBIQEH-LAUBAEHRSA-N 1 0 458.940 4.597 20 0 JJADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976260 722154022 /nfs/dbraw/zinc/15/40/22/722154022.db2.gz WJWJSARZHBIQEH-UTKZUKDTSA-N 1 0 458.940 4.597 20 0 JJADRO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164971673 722154445 /nfs/dbraw/zinc/15/44/45/722154445.db2.gz CXKCKCIYXQRMSN-GCJKJVERSA-N 1 0 486.403 4.698 20 0 JJADRO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164971678 722154641 /nfs/dbraw/zinc/15/46/41/722154641.db2.gz CXKCKCIYXQRMSN-XMSQKQJNSA-N 1 0 486.403 4.698 20 0 JJADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973992 722155318 /nfs/dbraw/zinc/15/53/18/722155318.db2.gz NUYBPVHSNNGFMV-ZJSXRUAMSA-N 1 0 480.012 4.607 20 0 JJADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973006 722155369 /nfs/dbraw/zinc/15/53/69/722155369.db2.gz JRXNCSQAYWFLEC-ZJSXRUAMSA-N 1 0 480.012 4.607 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164972466 722158006 /nfs/dbraw/zinc/15/80/06/722158006.db2.gz HXNYTNOBIHAFRX-XUZZJYLKSA-N 1 0 499.993 4.773 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971570 722158690 /nfs/dbraw/zinc/15/86/90/722158690.db2.gz BSTRDMCODGEIMK-CVDCTZTESA-N 1 0 476.999 4.671 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164977382 722166367 /nfs/dbraw/zinc/16/63/67/722166367.db2.gz MXGNWOALXVIAJE-QPPBQGQZSA-N 1 0 482.015 4.991 20 0 JJADRO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)CC[C@H]32)cs1 ZINC001164992702 722183512 /nfs/dbraw/zinc/18/35/12/722183512.db2.gz SZMDBLRNPJSGLX-CLJLJLNGSA-N 1 0 473.646 4.719 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)c2cc(C(=O)NC(C)C)ccc2NC3=O)nc1 ZINC001164990768 722187918 /nfs/dbraw/zinc/18/79/18/722187918.db2.gz NTIBLWMQMOHVIY-RUZDIDTESA-N 1 0 489.664 4.647 20 0 JJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c2ncn4[C@@H]2CCCCO2)C3)c1 ZINC001164993933 722199307 /nfs/dbraw/zinc/19/93/07/722199307.db2.gz JMHDHNNXUOJGKE-CYFREDJKSA-N 1 0 470.980 4.563 20 0 JJADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc(Oc4cccc(F)c4)n2)C3)c1 ZINC001164993783 722204086 /nfs/dbraw/zinc/20/40/86/722204086.db2.gz BHQATISWSJQSAM-HSZRJFAPSA-N 1 0 457.912 4.840 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c3ccccc32)cc1C ZINC001165003716 722256323 /nfs/dbraw/zinc/25/63/23/722256323.db2.gz GQDQHIDDTKWBHL-UHFFFAOYSA-N 1 0 470.621 4.599 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3cccs3)nc3sc4c(c31)CCC4)CCC2 ZINC001165004276 722256450 /nfs/dbraw/zinc/25/64/50/722256450.db2.gz PPACJPHJYDSKIZ-UHFFFAOYSA-N 1 0 494.690 4.594 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3ccccc3)nc(-c3cccs3)n1)CCC2 ZINC001165003372 722256993 /nfs/dbraw/zinc/25/69/93/722256993.db2.gz ANIDMOFMHUWQAE-UHFFFAOYSA-N 1 0 474.634 4.557 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(C3CCCCC3)nc3sc4c(c31)CCC4)CCC2 ZINC001165003383 722257158 /nfs/dbraw/zinc/25/71/58/722257158.db2.gz BCXRPLODBCGALT-UHFFFAOYSA-N 1 0 494.709 4.913 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(COCC[NH+](C)C)c4C3)cnc2Cl)c1 ZINC001165003806 722258233 /nfs/dbraw/zinc/25/82/33/722258233.db2.gz IDKFWSHIWRYDBZ-UHFFFAOYSA-N 1 0 489.998 4.940 20 0 JJADRO Cc1nc(CO[C@H]2COC3(C2)CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001165006797 722272463 /nfs/dbraw/zinc/27/24/63/722272463.db2.gz QWPLEHRVAHPZMC-RUZDIDTESA-N 1 0 490.673 4.750 20 0 JJADRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1Cc1ccsc1Br ZINC001359712532 1064261565 /nfs/dbraw/zinc/26/15/65/1064261565.db2.gz XJGPYQAFASDCRN-UHFFFAOYSA-N 1 0 474.472 4.986 20 0 JJADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850852 1064261872 /nfs/dbraw/zinc/26/18/72/1064261872.db2.gz SAXUWBMZFTZMMJ-OFVILXPXSA-N 1 0 450.966 4.745 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001545855526 1064264460 /nfs/dbraw/zinc/26/44/60/1064264460.db2.gz XHBGHNVYVHLBKW-LADGPHEKSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001545858971 1064267114 /nfs/dbraw/zinc/26/71/14/1064267114.db2.gz AOYXYGFQSYYJKV-VSJOZVSVSA-N 1 0 472.722 4.866 20 0 JJADRO CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359723673 1064271468 /nfs/dbraw/zinc/27/14/68/1064271468.db2.gz WPYIBYYMIQLINK-XZOQPEGZSA-N 1 0 461.601 4.768 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545862861 1064271376 /nfs/dbraw/zinc/27/13/76/1064271376.db2.gz VLXBRBNHEOQMQR-QHAWAJNXSA-N 1 0 474.738 4.825 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001545862762 1064271400 /nfs/dbraw/zinc/27/14/00/1064271400.db2.gz RUUYRAXBJXBBBQ-VWNXMTODSA-N 1 0 480.701 4.906 20 0 JJADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001545867040 1064276701 /nfs/dbraw/zinc/27/67/01/1064276701.db2.gz RUJWRRMVXHCGFM-LAUBAEHRSA-N 1 0 459.403 4.938 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001545868090 1064278759 /nfs/dbraw/zinc/27/87/59/1064278759.db2.gz LRCFJKDSUUZMMQ-XXBNENTESA-N 1 0 484.664 4.655 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001545868445 1064279322 /nfs/dbraw/zinc/27/93/22/1064279322.db2.gz QNIZPKJOJXAOCY-PMACEKPBSA-N 1 0 486.730 4.653 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCC[NH+]2CCOCC2)C1 ZINC001359730096 1064281041 /nfs/dbraw/zinc/28/10/41/1064281041.db2.gz NMJDARKRJSFZQS-FQEVSTJZSA-N 1 0 490.490 4.692 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870053 1064282057 /nfs/dbraw/zinc/28/20/57/1064282057.db2.gz FOFYHLWPFGCJOQ-ZRZAMGCNSA-N 1 0 494.728 4.949 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545870857 1064286516 /nfs/dbraw/zinc/28/65/16/1064286516.db2.gz YDWRMYHGTNTHIE-FIXSFTCYSA-N 1 0 494.728 4.867 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001545874150 1064289960 /nfs/dbraw/zinc/28/99/60/1064289960.db2.gz JUFYASUJXRVGMI-VWNXMTODSA-N 1 0 494.728 4.776 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCCC[NH+]1CCCC1 ZINC001359733324 1064290413 /nfs/dbraw/zinc/29/04/13/1064290413.db2.gz WOCLSGJTQMVILL-FQEVSTJZSA-N 1 0 477.495 4.937 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCCCC1 ZINC001359733890 1064291992 /nfs/dbraw/zinc/29/19/92/1064291992.db2.gz IRVWWEIUUFPDDP-FQEVSTJZSA-N 1 0 464.427 4.957 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCCCC1 ZINC001359733891 1064292050 /nfs/dbraw/zinc/29/20/50/1064292050.db2.gz IRVWWEIUUFPDDP-HXUWFJFHSA-N 1 0 464.427 4.957 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H]1CCCC1(C)C ZINC001545875716 1064292169 /nfs/dbraw/zinc/29/21/69/1064292169.db2.gz DXKOTUIWDKNWOY-OAQYLSRUSA-N 1 0 460.711 4.579 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001359734515 1064293735 /nfs/dbraw/zinc/29/37/35/1064293735.db2.gz VJYBVJSUBWRRMC-ZWKOTPCHSA-N 1 0 496.519 4.631 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(F)c(F)cc1Br ZINC001545879769 1064295265 /nfs/dbraw/zinc/29/52/65/1064295265.db2.gz FWSUYXUZMVVTHZ-HNNXBMFYSA-N 1 0 453.327 4.560 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001545879873 1064295402 /nfs/dbraw/zinc/29/54/02/1064295402.db2.gz IPEGTOLUNSHYQC-OAQYLSRUSA-N 1 0 452.986 4.573 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c2cccc(Br)c21 ZINC001545880114 1064295639 /nfs/dbraw/zinc/29/56/39/1064295639.db2.gz QIBKCWOGAWSAEN-QGZVFWFLSA-N 1 0 456.384 4.763 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC001545879863 1064295702 /nfs/dbraw/zinc/29/57/02/1064295702.db2.gz IHYICXYBOLBHOV-FQEVSTJZSA-N 1 0 453.583 4.705 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(N(C)c2ccccc2)n1 ZINC001545880289 1064296168 /nfs/dbraw/zinc/29/61/68/1064296168.db2.gz WIAITDBHWFBPAW-NRFANRHFSA-N 1 0 450.608 4.743 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC001545880356 1064296587 /nfs/dbraw/zinc/29/65/87/1064296587.db2.gz XYZRNFNMQDMJGU-LPHOPBHVSA-N 1 0 451.394 4.979 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359737793 1064299282 /nfs/dbraw/zinc/29/92/82/1064299282.db2.gz GPGPJENFYQZNQO-NHCUHLMSSA-N 1 0 457.619 4.985 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001545886627 1064303899 /nfs/dbraw/zinc/30/38/99/1064303899.db2.gz GYWDZZGPWAAHHU-OALUTQOASA-N 1 0 487.092 4.533 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001359740488 1064309504 /nfs/dbraw/zinc/30/95/04/1064309504.db2.gz XGCUEBQTMWTHAW-JTSKRJEESA-N 1 0 478.504 4.627 20 0 JJADRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883974 1064315858 /nfs/dbraw/zinc/31/58/58/1064315858.db2.gz QCUPZDUPGWFAEG-PXNSSMCTSA-N 1 0 453.384 4.509 20 0 JJADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)C1 ZINC001434885820 1064317524 /nfs/dbraw/zinc/31/75/24/1064317524.db2.gz WWRIMZBPLZBCAW-RVKKMQEKSA-N 1 0 451.792 4.822 20 0 JJADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001434885812 1064317825 /nfs/dbraw/zinc/31/78/25/1064317825.db2.gz WWRIMZBPLZBCAW-MPGHIAIKSA-N 1 0 451.792 4.822 20 0 JJADRO COC(=O)COc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001434891209 1064321521 /nfs/dbraw/zinc/32/15/21/1064321521.db2.gz MGWXDBRFSWLGEO-LOSJGSFVSA-N 1 0 478.976 4.746 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001359746085 1064322829 /nfs/dbraw/zinc/32/28/29/1064322829.db2.gz YKLJXOZVTHCBBW-VSKRKVRLSA-N 1 0 488.721 4.653 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001359747407 1064328037 /nfs/dbraw/zinc/32/80/37/1064328037.db2.gz APTNINUBKKTPTL-ATIYNZHBSA-N 1 0 471.715 4.541 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C2CC2)[NH+](C)C)CCS1 ZINC001359747469 1064328305 /nfs/dbraw/zinc/32/83/05/1064328305.db2.gz CCMKCNDYSGMBLE-VQTJNVASSA-N 1 0 452.043 4.656 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C2CCCCC2)CCO1 ZINC001359748006 1064331835 /nfs/dbraw/zinc/33/18/35/1064331835.db2.gz MPGVBICWSNAXBG-QFIPXVFZSA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC001359749357 1064336970 /nfs/dbraw/zinc/33/69/70/1064336970.db2.gz PFQKWDDSXREWQA-VXKWHMMOSA-N 1 0 471.074 4.874 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC001359749356 1064337256 /nfs/dbraw/zinc/33/72/56/1064337256.db2.gz PFQKWDDSXREWQA-FGZHOGPDSA-N 1 0 471.074 4.874 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cccnc3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCS1 ZINC001359749452 1064337972 /nfs/dbraw/zinc/33/79/72/1064337972.db2.gz RBBICGTUORKYMZ-ZJSXRUAMSA-N 1 0 464.683 4.829 20 0 JJADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccc2[nH]c(=O)n(CC(C)(C)C)c21 ZINC001434917558 1064345094 /nfs/dbraw/zinc/34/50/94/1064345094.db2.gz BFBXLMDTDSTJSS-UHFFFAOYSA-N 1 0 452.624 4.898 20 0 JJADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(O[C@H](C)C(F)(F)F)nc1C ZINC001434919184 1064346476 /nfs/dbraw/zinc/34/64/76/1064346476.db2.gz MFNSYSZTJOJQBL-MRXNPFEDSA-N 1 0 453.530 4.829 20 0 JJADRO O=C(Cc1cc(Br)ccc1Cl)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001434921892 1064349546 /nfs/dbraw/zinc/34/95/46/1064349546.db2.gz MQANLHGPZMVQCS-UHFFFAOYSA-N 1 0 453.833 4.875 20 0 JJADRO C[NH+](C)CCN(C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccccc1 ZINC001434923166 1064351387 /nfs/dbraw/zinc/35/13/87/1064351387.db2.gz ACJOYXGNIBNUHS-UHFFFAOYSA-N 1 0 451.611 4.848 20 0 JJADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001359756419 1064354006 /nfs/dbraw/zinc/35/40/06/1064354006.db2.gz QXCOQOHVRHALAS-DNVJHFABSA-N 1 0 463.711 4.567 20 0 JJADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cccn3-c3c(Cl)cccc3Cl)cc21 ZINC001434931436 1064358378 /nfs/dbraw/zinc/35/83/78/1064358378.db2.gz SYCYLJVNWSLWBY-UHFFFAOYSA-N 1 0 459.333 4.506 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C ZINC001434960145 1064375966 /nfs/dbraw/zinc/37/59/66/1064375966.db2.gz CYGZNCPKVOPMIV-DNQXCXABSA-N 1 0 465.663 4.671 20 0 JJADRO CC(C)[C@H]1OCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359763287 1064379763 /nfs/dbraw/zinc/37/97/63/1064379763.db2.gz IDRWZCOLZQBVGY-XNMGPUDCSA-N 1 0 467.702 4.825 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+](C)C ZINC001359764460 1064383816 /nfs/dbraw/zinc/38/38/16/1064383816.db2.gz BHALRDKTQLHHAM-YLJYHZDGSA-N 1 0 478.479 4.688 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC001359765125 1064386707 /nfs/dbraw/zinc/38/67/07/1064386707.db2.gz QIYUQEOCUSXTNH-BPUDTRNYSA-N 1 0 483.636 4.609 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC001359765235 1064386793 /nfs/dbraw/zinc/38/67/93/1064386793.db2.gz SNTWRGVQFILNKV-ZHALLVOQSA-N 1 0 465.484 4.505 20 0 JJADRO CC(C)CC(=O)Nc1cccc(Cn2c(CC3CC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001359765222 1064386808 /nfs/dbraw/zinc/38/68/08/1064386808.db2.gz SGPCUJUYFWQIFR-UHFFFAOYSA-N 1 0 480.701 4.822 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001359765301 1064387445 /nfs/dbraw/zinc/38/74/45/1064387445.db2.gz ULVNOTUIAFQBMV-YOUFYPILSA-N 1 0 463.667 4.864 20 0 JJADRO CC(C)C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001359765441 1064387527 /nfs/dbraw/zinc/38/75/27/1064387527.db2.gz WUIKJDFSUBXGOE-IFMALSPDSA-N 1 0 489.108 4.710 20 0 JJADRO CC(C)C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001359765443 1064387597 /nfs/dbraw/zinc/38/75/97/1064387597.db2.gz WUIKJDFSUBXGOE-RBBKRZOGSA-N 1 0 489.108 4.710 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)cc1F)[NH+](C)C ZINC001359765830 1064388880 /nfs/dbraw/zinc/38/88/80/1064388880.db2.gz CLKHVZUTXWSMGN-LJQANCHMSA-N 1 0 462.976 4.884 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccon1)[NH+](C)C ZINC001359765782 1064388945 /nfs/dbraw/zinc/38/89/45/1064388945.db2.gz BNWDWPXIVLDTAN-QGZVFWFLSA-N 1 0 451.402 4.853 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001359765828 1064389001 /nfs/dbraw/zinc/38/90/01/1064389001.db2.gz CLGQPSRXMNEBRP-VNYTWHDVSA-N 1 0 459.704 4.721 20 0 JJADRO C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434975921 1064391380 /nfs/dbraw/zinc/39/13/80/1064391380.db2.gz CUYJPSASZHGERH-HNNXBMFYSA-N 1 0 458.990 4.845 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001359766364 1064391664 /nfs/dbraw/zinc/39/16/64/1064391664.db2.gz MGTMRXVCIZZGDB-WBVHZDCISA-N 1 0 484.483 4.765 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)[NH+](C)C ZINC001359766449 1064392806 /nfs/dbraw/zinc/39/28/06/1064392806.db2.gz NVLQGAKXIXVPTQ-JUXOCIIHSA-N 1 0 464.029 4.719 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1COC(C)(C)OC1)[NH+](C)C ZINC001359766690 1064393432 /nfs/dbraw/zinc/39/34/32/1064393432.db2.gz SBRHYOLAVULYBY-LJQANCHMSA-N 1 0 482.044 4.549 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001359767039 1064395066 /nfs/dbraw/zinc/39/50/66/1064395066.db2.gz ZMSXZSFTQAZFQJ-QFUCXCTJSA-N 1 0 490.574 4.626 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001359767028 1064395143 /nfs/dbraw/zinc/39/51/43/1064395143.db2.gz ZBZLZKVXBSRYEJ-QHCPKHFHSA-N 1 0 487.117 4.959 20 0 JJADRO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001434979264 1064395404 /nfs/dbraw/zinc/39/54/04/1064395404.db2.gz LXVNDAUBNQPGPW-QGZVFWFLSA-N 1 0 452.599 4.809 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1)[NH+](C)C ZINC001359767340 1064396311 /nfs/dbraw/zinc/39/63/11/1064396311.db2.gz FRBATCXRGOVFLR-QHCPKHFHSA-N 1 0 498.691 4.535 20 0 JJADRO CCCOc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1OCCC ZINC001434980567 1064397386 /nfs/dbraw/zinc/39/73/86/1064397386.db2.gz WIWRDQQXLMPUCR-IBGZPJMESA-N 1 0 457.590 4.646 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)[NH+](C)C ZINC001359769009 1064398579 /nfs/dbraw/zinc/39/85/79/1064398579.db2.gz JCWCYCUBQAISRG-DEOSSOPVSA-N 1 0 499.679 4.842 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001359768878 1064398595 /nfs/dbraw/zinc/39/85/95/1064398595.db2.gz GWHOUDIXQOZZJU-NHCUHLMSSA-N 1 0 457.667 4.802 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(Br)ccc2C1)[NH+](C)C ZINC001359768631 1064398709 /nfs/dbraw/zinc/39/87/09/1064398709.db2.gz CMMHQKANPDUHDN-FCHUYYIVSA-N 1 0 490.490 4.821 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001359769174 1064399310 /nfs/dbraw/zinc/39/93/10/1064399310.db2.gz LWRAPIHEJDRVJG-HMXCVIKNSA-N 1 0 496.469 4.668 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)[NH+](C)C ZINC001359769728 1064400087 /nfs/dbraw/zinc/40/00/87/1064400087.db2.gz UDYUUZPLUBLHBT-QTJGBDASSA-N 1 0 485.648 4.734 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)[NH+](C)C ZINC001359769725 1064400273 /nfs/dbraw/zinc/40/02/73/1064400273.db2.gz UDYUUZPLUBLHBT-GMKZXUHWSA-N 1 0 485.648 4.734 20 0 JJADRO CC(C)C[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+](C)C ZINC001359769918 1064400799 /nfs/dbraw/zinc/40/07/99/1064400799.db2.gz WPCNTVVZUBXDIK-QHCPKHFHSA-N 1 0 460.617 4.517 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC(C)(C)C)CC1)[NH+](C)C ZINC001359770507 1064402064 /nfs/dbraw/zinc/40/20/64/1064402064.db2.gz GWGLAVSRVBFSFU-JOCHJYFZSA-N 1 0 459.654 4.768 20 0 JJADRO CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001359771030 1064403710 /nfs/dbraw/zinc/40/37/10/1064403710.db2.gz PJCGUVXJNJEOBP-SFTDATJTSA-N 1 0 485.702 4.797 20 0 JJADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001359771225 1064404289 /nfs/dbraw/zinc/40/42/89/1064404289.db2.gz SOIJVAJEORWQCG-ATIYNZHBSA-N 1 0 476.109 4.680 20 0 JJADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001359771294 1064404475 /nfs/dbraw/zinc/40/44/75/1064404475.db2.gz UGZAEBVZPWJVFE-HXUWFJFHSA-N 1 0 450.075 4.534 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCc2sccc2C1)[NH+](C)C ZINC001359771867 1064406824 /nfs/dbraw/zinc/40/68/24/1064406824.db2.gz FSIVYXVLEDSFCS-HXUWFJFHSA-N 1 0 457.619 4.597 20 0 JJADRO CC(C)C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCO[C@H](C)C1)[NH+](C)C ZINC001359771942 1064406836 /nfs/dbraw/zinc/40/68/36/1064406836.db2.gz GRCRJOKZKFQPNY-UYAOXDASSA-N 1 0 466.095 4.815 20 0 JJADRO CC(C)C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)[NH+](C)C ZINC001359772166 1064407092 /nfs/dbraw/zinc/40/70/92/1064407092.db2.gz KLNFNYYOHHRXPR-ZXYKZRGSSA-N 1 0 497.728 4.728 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)[NH+](C)C ZINC001359772165 1064407286 /nfs/dbraw/zinc/40/72/86/1064407286.db2.gz KLNFNYYOHHRXPR-ZDYLMEDTSA-N 1 0 497.728 4.728 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001359772246 1064407296 /nfs/dbraw/zinc/40/72/96/1064407296.db2.gz MAHMBKRHDTZYBL-HKUYNNGSSA-N 1 0 471.543 4.751 20 0 JJADRO CC(C)C[C@H](Cn1c(N2CCC[C@H]2c2cccs2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001359772539 1064409153 /nfs/dbraw/zinc/40/91/53/1064409153.db2.gz RLJPDLBFNJYYTQ-CZSZKKDXSA-N 1 0 475.703 4.698 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001359772625 1064409187 /nfs/dbraw/zinc/40/91/87/1064409187.db2.gz SYCHXSJRZXWUDJ-SMIHKQSGSA-N 1 0 490.092 4.709 20 0 JJADRO CC(C)C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC001359772941 1064409866 /nfs/dbraw/zinc/40/98/66/1064409866.db2.gz YTSACNIGNXHGRP-OQEHDIDLSA-N 1 0 476.710 4.507 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC(F)(F)Br ZINC001359777283 1064420575 /nfs/dbraw/zinc/42/05/75/1064420575.db2.gz FXMCQRSYZMYNSX-HKUYNNGSSA-N 1 0 484.433 4.954 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@H]1CSCCS1 ZINC001359777494 1064421435 /nfs/dbraw/zinc/42/14/35/1064421435.db2.gz LIVYECBNHCEBLR-MZYLBHOOSA-N 1 0 473.756 4.815 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001359779639 1064426052 /nfs/dbraw/zinc/42/60/52/1064426052.db2.gz SOOPJWABHNZXAA-UHFFFAOYSA-N 1 0 496.519 4.582 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359781632 1064432213 /nfs/dbraw/zinc/43/22/13/1064432213.db2.gz OZKADNFTLOMMOX-HSZRJFAPSA-N 1 0 477.701 4.868 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001359781586 1064432250 /nfs/dbraw/zinc/43/22/50/1064432250.db2.gz MWZSMGPGETXMGB-XMMPIXPASA-N 1 0 461.658 4.691 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2csc(Br)c2)n1CC[NH+]1CCC(C)CC1 ZINC001359781962 1064433297 /nfs/dbraw/zinc/43/32/97/1064433297.db2.gz AVONHJGANBQMGW-UHFFFAOYSA-N 1 0 454.482 4.669 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359783441 1064434883 /nfs/dbraw/zinc/43/48/83/1064434883.db2.gz ZAOARQFJDITUIG-CAOCKLPOSA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)n1CC[NH+]1CCC(C)CC1 ZINC001359783929 1064436152 /nfs/dbraw/zinc/43/61/52/1064436152.db2.gz NWBBMVQMXPLQHU-RSXGOPAZSA-N 1 0 453.675 4.813 20 0 JJADRO CC(C)Cc1nnc(N(C)CCCc2ccccc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359784447 1064437803 /nfs/dbraw/zinc/43/78/03/1064437803.db2.gz BNVFBSFAKDJSEN-UHFFFAOYSA-N 1 0 455.716 4.907 20 0 JJADRO CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001359785021 1064438641 /nfs/dbraw/zinc/43/86/41/1064438641.db2.gz WSRQEXXGSAQVGX-XUZZJYLKSA-N 1 0 459.704 4.874 20 0 JJADRO CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001359785028 1064438921 /nfs/dbraw/zinc/43/89/21/1064438921.db2.gz WYQAZYJWKPFRNZ-UHFFFAOYSA-N 1 0 453.675 4.764 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359792745 1064450031 /nfs/dbraw/zinc/45/00/31/1064450031.db2.gz PBRFBVFCAHUICZ-GRSYGWAWSA-N 1 0 453.675 4.747 20 0 JJADRO CC(C)Cc1nnc(N2Cc3cccc(Br)c3C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359792768 1064450148 /nfs/dbraw/zinc/45/01/48/1064450148.db2.gz PDFXAZVBNCJRJT-SFHVURJKSA-N 1 0 460.464 4.880 20 0 JJADRO CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001359793089 1064451151 /nfs/dbraw/zinc/45/11/51/1064451151.db2.gz RBNDIZOBYMIUPY-SJORKVTESA-N 1 0 460.464 4.846 20 0 JJADRO CC(C)Cc1nnc(N2CC=C(C(C)(C)C)CC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001359795892 1064454482 /nfs/dbraw/zinc/45/44/82/1064454482.db2.gz QQPOLOSEPIRPOE-UHFFFAOYSA-N 1 0 464.702 4.872 20 0 JJADRO Cc1cc(-n2cncn2)ccc1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001435042544 1064459086 /nfs/dbraw/zinc/45/90/86/1064459086.db2.gz RKFHYXCWNDUJHW-UHFFFAOYSA-N 1 0 453.590 4.759 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359799159 1064465035 /nfs/dbraw/zinc/46/50/35/1064465035.db2.gz YJWWBALCBUCIHC-VXKWHMMOSA-N 1 0 490.737 4.727 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359800220 1064466751 /nfs/dbraw/zinc/46/67/51/1064466751.db2.gz DJACEIJEBKZQNQ-LVXARBLLSA-N 1 0 471.665 4.688 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CCC[NH+]1CCCC1 ZINC001359800054 1064466845 /nfs/dbraw/zinc/46/68/45/1064466845.db2.gz BMESOKUSONVESL-XMMPIXPASA-N 1 0 460.066 4.566 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359800899 1064467896 /nfs/dbraw/zinc/46/78/96/1064467896.db2.gz MQBTVXJXCXFEFD-RLWLMLJZSA-N 1 0 471.665 4.830 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359800897 1064467922 /nfs/dbraw/zinc/46/79/22/1064467922.db2.gz MQBTVXJXCXFEFD-LVXARBLLSA-N 1 0 471.665 4.830 20 0 JJADRO CC(C)Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359801519 1064468685 /nfs/dbraw/zinc/46/86/85/1064468685.db2.gz WTCUQGIAWKGOGR-SZPZYZBQSA-N 1 0 490.737 4.728 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001359802096 1064469602 /nfs/dbraw/zinc/46/96/02/1064469602.db2.gz HUDAVUDNKLOCMT-AMGIVPHBSA-N 1 0 453.675 4.519 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359802884 1064471367 /nfs/dbraw/zinc/47/13/67/1064471367.db2.gz XLKVKTIIQJZMJM-KHUIQGCPSA-N 1 0 453.675 4.747 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)c1C ZINC001435057222 1064475617 /nfs/dbraw/zinc/47/56/17/1064475617.db2.gz NKXDBASEAOILBS-UHFFFAOYSA-N 1 0 453.480 4.602 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](C3CCOCC3)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001359806911 1064477151 /nfs/dbraw/zinc/47/71/51/1064477151.db2.gz XKVGCBDQSVPENG-VWLOTQADSA-N 1 0 453.675 4.618 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1cc(Br)cs1 ZINC001359807694 1064478123 /nfs/dbraw/zinc/47/81/23/1064478123.db2.gz BEBPGBNCIUJGSC-KRWDZBQOSA-N 1 0 466.493 4.661 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359807745 1064478249 /nfs/dbraw/zinc/47/82/49/1064478249.db2.gz BYDPMUSFFCEKIV-LADGPHEKSA-N 1 0 498.716 4.690 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359808363 1064479795 /nfs/dbraw/zinc/47/97/95/1064479795.db2.gz NGKPCDRDPGFEII-FYYLOGMGSA-N 1 0 498.682 4.842 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001435062108 1064480734 /nfs/dbraw/zinc/48/07/34/1064480734.db2.gz DEFRIBBHPUIOEW-KNQAVFIVSA-N 1 0 451.355 4.595 20 0 JJADRO Cc1ccc(-n2nc(C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)c3c2CCCC3)cc1 ZINC001435062734 1064480873 /nfs/dbraw/zinc/48/08/73/1064480873.db2.gz IAGLBUDKBLXONK-UHFFFAOYSA-N 1 0 451.014 4.917 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001435062113 1064480908 /nfs/dbraw/zinc/48/09/08/1064480908.db2.gz DEFRIBBHPUIOEW-UGKGYDQZSA-N 1 0 451.355 4.595 20 0 JJADRO Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)cc12 ZINC001435062124 1064480936 /nfs/dbraw/zinc/48/09/36/1064480936.db2.gz DHEKTSSWACPMKJ-UHFFFAOYSA-N 1 0 454.546 4.878 20 0 JJADRO COc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1Br ZINC001435063030 1064481783 /nfs/dbraw/zinc/48/17/83/1064481783.db2.gz BVZWRKARKQZYQZ-UHFFFAOYSA-N 1 0 453.808 4.634 20 0 JJADRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001435063753 1064482700 /nfs/dbraw/zinc/48/27/00/1064482700.db2.gz KSBIALDTTGZQOM-UHFFFAOYSA-N 1 0 457.553 4.586 20 0 JJADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)ccc1Br ZINC001435064457 1064483384 /nfs/dbraw/zinc/48/33/84/1064483384.db2.gz OHSNTGLGRJMVSJ-UHFFFAOYSA-N 1 0 459.306 4.681 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1COc2ccccc2O1 ZINC001435065777 1064485118 /nfs/dbraw/zinc/48/51/18/1064485118.db2.gz PZDALYWODVWQEL-GOSISDBHSA-N 1 0 451.394 4.894 20 0 JJADRO CC(C)Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359811037 1064485902 /nfs/dbraw/zinc/48/59/02/1064485902.db2.gz BPHFXXYHUNXFBB-LJQANCHMSA-N 1 0 469.600 4.510 20 0 JJADRO CC(C)Cc1nnc(N2CCC(Cl)=C(Cl)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001359811116 1064485957 /nfs/dbraw/zinc/48/59/57/1064485957.db2.gz DQWDBKFJIKRTHA-UHFFFAOYSA-N 1 0 466.457 4.559 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001359811860 1064488421 /nfs/dbraw/zinc/48/84/21/1064488421.db2.gz BGGWCGWJBADQMN-DEOSSOPVSA-N 1 0 453.675 4.905 20 0 JJADRO Cc1c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)nnn1-c1ccccc1Cl ZINC001435068524 1064489307 /nfs/dbraw/zinc/48/93/07/1064489307.db2.gz QTLZCPRLOOJHHS-UHFFFAOYSA-N 1 0 458.393 4.621 20 0 JJADRO CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001359814674 1064492957 /nfs/dbraw/zinc/49/29/57/1064492957.db2.gz NCJNZVZDLHHYCK-UHFFFAOYSA-N 1 0 487.668 4.525 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359815671 1064497025 /nfs/dbraw/zinc/49/70/25/1064497025.db2.gz RTTALELJSQEYRF-DNQXCXABSA-N 1 0 467.702 4.723 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359815761 1064497069 /nfs/dbraw/zinc/49/70/69/1064497069.db2.gz UQEKDAPRUTZSKJ-FQEVSTJZSA-N 1 0 489.636 4.607 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359815629 1064497097 /nfs/dbraw/zinc/49/70/97/1064497097.db2.gz QMVDKULVPONKHC-ZRZAMGCNSA-N 1 0 499.719 4.946 20 0 JJADRO COc1cc[nH+]c(N2CCN(C(=O)/C(=C\c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)c1 ZINC001435082182 1064503877 /nfs/dbraw/zinc/50/38/77/1064503877.db2.gz CAPAXONCRVGSFS-KQWNVCNZSA-N 1 0 451.929 4.772 20 0 JJADRO CC(C)Cc1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001359823060 1064505034 /nfs/dbraw/zinc/50/50/34/1064505034.db2.gz MJHQMIOISHHUJG-OAQYLSRUSA-N 1 0 456.997 4.530 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H]3CCCC[C@@H]3C2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001359826537 1064508130 /nfs/dbraw/zinc/50/81/30/1064508130.db2.gz QXYVTLCEUGGXIS-DNQXCXABSA-N 1 0 453.675 4.872 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H]3CCCC[C@H]3C2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001359826538 1064509037 /nfs/dbraw/zinc/50/90/37/1064509037.db2.gz QXYVTLCEUGGXIS-RPWUZVMVSA-N 1 0 453.675 4.872 20 0 JJADRO C[NH+](C)CCCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)cc1 ZINC001435095622 1064510977 /nfs/dbraw/zinc/51/09/77/1064510977.db2.gz XBJGFUMLBBELNA-UHFFFAOYSA-N 1 0 450.558 4.998 20 0 JJADRO C[C@H](CNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1)[N@@H+]1CCc2ccccc2C1 ZINC001359829191 1064511030 /nfs/dbraw/zinc/51/10/30/1064511030.db2.gz RKFHONQVKOTBND-MRXNPFEDSA-N 1 0 455.574 4.929 20 0 JJADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)CC1 ZINC001435099656 1064513916 /nfs/dbraw/zinc/51/39/16/1064513916.db2.gz XYYIQPIZVYMHNE-UHFFFAOYSA-N 1 0 458.606 4.853 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359830928 1064514096 /nfs/dbraw/zinc/51/40/96/1064514096.db2.gz TWNKRGWGPODLCG-GOTSBHOMSA-N 1 0 490.737 4.682 20 0 JJADRO Cc1cc(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cc(Cl)c1Br ZINC001435105301 1064515957 /nfs/dbraw/zinc/51/59/57/1064515957.db2.gz SUNCDRUEFGKDOL-UHFFFAOYSA-N 1 0 457.840 4.954 20 0 JJADRO Cn1c(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cc2cc(C(F)(F)F)ccc21 ZINC001435105229 1064516098 /nfs/dbraw/zinc/51/60/98/1064516098.db2.gz RGHHIORAUNKHAI-UHFFFAOYSA-N 1 0 451.533 4.741 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001359832847 1064517329 /nfs/dbraw/zinc/51/73/29/1064517329.db2.gz POFUBGOJHYHGHJ-DHIUTWEWSA-N 1 0 490.737 4.824 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001359835390 1064522508 /nfs/dbraw/zinc/52/25/08/1064522508.db2.gz WDZBSPCZEHMHPG-FCHUYYIVSA-N 1 0 479.591 4.689 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001435115959 1064523754 /nfs/dbraw/zinc/52/37/54/1064523754.db2.gz KPXPDIJSNFWRGM-QGZVFWFLSA-N 1 0 454.571 4.774 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(Br)ccc1F ZINC001359846848 1064533096 /nfs/dbraw/zinc/53/30/96/1064533096.db2.gz CFDPPUCOPHPRIV-UHFFFAOYSA-N 1 0 458.169 4.555 20 0 JJADRO CC(C)Cc1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359849302 1064535443 /nfs/dbraw/zinc/53/54/43/1064535443.db2.gz IANQGQQUQFWOHF-OAQYLSRUSA-N 1 0 458.720 4.543 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359849054 1064535508 /nfs/dbraw/zinc/53/55/08/1064535508.db2.gz GXVILWVWWPZVES-SZPZYZBQSA-N 1 0 488.671 4.840 20 0 JJADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001359849315 1064535586 /nfs/dbraw/zinc/53/55/86/1064535586.db2.gz IFAFRMHWXZVRNY-JOCHJYFZSA-N 1 0 496.700 4.566 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359850151 1064535945 /nfs/dbraw/zinc/53/59/45/1064535945.db2.gz QHNHSFONSSVYEQ-DEOSSOPVSA-N 1 0 474.644 4.592 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359849842 1064536167 /nfs/dbraw/zinc/53/61/67/1064536167.db2.gz OVODQOGJCJKINE-SFTDATJTSA-N 1 0 488.671 4.838 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)[C@H](C)C1 ZINC001435134455 1064538398 /nfs/dbraw/zinc/53/83/98/1064538398.db2.gz OZSIEDKFLJKZLP-JPYJTQIMSA-N 1 0 459.034 4.578 20 0 JJADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001359852391 1064539595 /nfs/dbraw/zinc/53/95/95/1064539595.db2.gz YMQCJDYCHQBCLA-CQSZACIVSA-N 1 0 457.384 4.798 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359852852 1064539909 /nfs/dbraw/zinc/53/99/09/1064539909.db2.gz XSMAOZVVNZACOO-NRFANRHFSA-N 1 0 459.082 4.577 20 0 JJADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001435139771 1064540798 /nfs/dbraw/zinc/54/07/98/1064540798.db2.gz ZSNWJLNBFBPVJK-UHFFFAOYSA-N 1 0 451.608 4.878 20 0 JJADRO CN1C(=O)C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@@H]1c1cccc(Cl)c1 ZINC001435140939 1064541287 /nfs/dbraw/zinc/54/12/87/1064541287.db2.gz YJDWEGMBWYWBGC-NOZRDPDXSA-N 1 0 454.014 4.552 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCO[C@@H](C)c1ccccc1 ZINC001359855801 1064543441 /nfs/dbraw/zinc/54/34/41/1064543441.db2.gz SFQGOMBVNWSXEY-PKTZIBPZSA-N 1 0 453.675 4.955 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1nc2cccc(Cl)c2n1C ZINC001359859362 1064547072 /nfs/dbraw/zinc/54/70/72/1064547072.db2.gz BRWCYMKGCWHQKI-UHFFFAOYSA-N 1 0 472.081 4.623 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359860176 1064548809 /nfs/dbraw/zinc/54/88/09/1064548809.db2.gz FZAYPIOIAOELMB-DHIUTWEWSA-N 1 0 498.716 4.690 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359864008 1064554174 /nfs/dbraw/zinc/55/41/74/1064554174.db2.gz CSLMANJWCZWQRN-TZIWHRDSSA-N 1 0 453.528 4.772 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CC(C)(C)C[NH+](C)C ZINC001359865545 1064555718 /nfs/dbraw/zinc/55/57/18/1064555718.db2.gz GBWKAWFQPFTPPV-HXUWFJFHSA-N 1 0 467.580 4.661 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001359865856 1064556353 /nfs/dbraw/zinc/55/63/53/1064556353.db2.gz JVNHZNIULWXKRW-QHCPKHFHSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1CC(C)(C)C[NH+](C)C ZINC001359866401 1064557461 /nfs/dbraw/zinc/55/74/61/1064557461.db2.gz QPPMKANEZBOEHV-HXUWFJFHSA-N 1 0 468.473 4.949 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359866812 1064558607 /nfs/dbraw/zinc/55/86/07/1064558607.db2.gz ZZRHNWAMOHJBHI-JTAQYXEDSA-N 1 0 491.627 4.776 20 0 JJADRO C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001435162750 1064558836 /nfs/dbraw/zinc/55/88/36/1064558836.db2.gz HIPZEBCEPXHWJB-OYRHEFFESA-N 1 0 451.611 4.789 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359868011 1064559693 /nfs/dbraw/zinc/55/96/93/1064559693.db2.gz HAEHHHTWWMNGOY-DEOSSOPVSA-N 1 0 457.638 4.848 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359868930 1064561092 /nfs/dbraw/zinc/56/10/92/1064561092.db2.gz PHEQVKQATNMPFY-URXFXBBRSA-N 1 0 457.638 4.848 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)cc2)c1 ZINC001435173549 1064567768 /nfs/dbraw/zinc/56/77/68/1064567768.db2.gz ABYKZYKLBPBGRM-JOCHJYFZSA-N 1 0 455.602 4.880 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001359878215 1064569654 /nfs/dbraw/zinc/56/96/54/1064569654.db2.gz HMHXPBDTEZBKRR-ROUUACIJSA-N 1 0 496.519 4.610 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)CC1 ZINC001435176431 1064570064 /nfs/dbraw/zinc/57/00/64/1064570064.db2.gz TYDFUQCDNPYYMO-HYBUGGRVSA-N 1 0 451.611 4.669 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)C1 ZINC001359882940 1064577257 /nfs/dbraw/zinc/57/72/57/1064577257.db2.gz FFYCXKQIXWGHQI-FCHUYYIVSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)C1 ZINC001359882943 1064577322 /nfs/dbraw/zinc/57/73/22/1064577322.db2.gz FFYCXKQIXWGHQI-FGZHOGPDSA-N 1 0 488.721 4.749 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001435188769 1064578059 /nfs/dbraw/zinc/57/80/59/1064578059.db2.gz NUMPJVLWQXLZOM-AZGAKELHSA-N 1 0 457.574 4.612 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001359886574 1064582310 /nfs/dbraw/zinc/58/23/10/1064582310.db2.gz NQFISPDHABLHKV-QFIPXVFZSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001359889329 1064587420 /nfs/dbraw/zinc/58/74/20/1064587420.db2.gz ALGAJOQIFPMUQG-VWLOTQADSA-N 1 0 475.081 4.635 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435207839 1064592556 /nfs/dbraw/zinc/59/25/56/1064592556.db2.gz MYLHKBCMWKOOEC-QPPBQGQZSA-N 1 0 457.659 4.973 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435207840 1064592622 /nfs/dbraw/zinc/59/26/22/1064592622.db2.gz MYLHKBCMWKOOEC-URXFXBBRSA-N 1 0 457.659 4.973 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359899494 1064605463 /nfs/dbraw/zinc/60/54/63/1064605463.db2.gz JCLQIAYVLJJOIY-HHHXNRCGSA-N 1 0 487.664 4.638 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@H]2C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001545889646 1064607155 /nfs/dbraw/zinc/60/71/55/1064607155.db2.gz CNABIZNBCVTQKZ-VQTJNVASSA-N 1 0 484.664 4.724 20 0 JJADRO C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)cc21 ZINC001435238486 1064618143 /nfs/dbraw/zinc/61/81/43/1064618143.db2.gz QJLAKIPSJROAGS-JOCHJYFZSA-N 1 0 450.583 4.798 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001359910855 1064627702 /nfs/dbraw/zinc/62/77/02/1064627702.db2.gz DPLADBPOWJMDDL-IBGZPJMESA-N 1 0 464.054 4.665 20 0 JJADRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCc1ccc(Cl)cc1Cl ZINC001435253056 1064630217 /nfs/dbraw/zinc/63/02/17/1064630217.db2.gz ACSDUQZLCXIEPQ-YWZLYKJASA-N 1 0 451.394 4.993 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCC[NH+]1CCOCC1 ZINC001359914677 1064634682 /nfs/dbraw/zinc/63/46/82/1064634682.db2.gz LSICMJGEXOQRDY-FQEVSTJZSA-N 1 0 459.704 4.726 20 0 JJADRO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1=O ZINC001435260257 1064636485 /nfs/dbraw/zinc/63/64/85/1064636485.db2.gz HXASZXIGOSJSLL-UVPKRVSESA-N 1 0 453.652 4.814 20 0 JJADRO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1=O ZINC001435260255 1064636600 /nfs/dbraw/zinc/63/66/00/1064636600.db2.gz HXASZXIGOSJSLL-OZAHESQGSA-N 1 0 453.652 4.814 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)[C@H]1c1cccs1 ZINC001435261630 1064637602 /nfs/dbraw/zinc/63/76/02/1064637602.db2.gz PLWYUOXGIZPQML-JSXIUCTPSA-N 1 0 459.700 4.893 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(Cl)cc2Br)[C@@H]1c1cccs1 ZINC001435263294 1064639869 /nfs/dbraw/zinc/63/98/69/1064639869.db2.gz ZRLSTPOEVJIEIZ-ORAYPTAESA-N 1 0 457.821 4.742 20 0 JJADRO CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001359918626 1064641836 /nfs/dbraw/zinc/64/18/36/1064641836.db2.gz LOFLLHLOFXWADS-VXKWHMMOSA-N 1 0 478.726 4.851 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359921491 1064647847 /nfs/dbraw/zinc/64/78/47/1064647847.db2.gz JSWHRDODBBZZNF-NRFANRHFSA-N 1 0 476.710 4.954 20 0 JJADRO CC(C)CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@H+](C)C1CC1)C1CC1 ZINC001359923379 1064652232 /nfs/dbraw/zinc/65/22/32/1064652232.db2.gz IEQAAWUKMZMUGU-INIZCTEOSA-N 1 0 463.468 4.544 20 0 JJADRO CC(C)CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001359923636 1064653671 /nfs/dbraw/zinc/65/36/71/1064653671.db2.gz QSVFUNNLPAZRFE-LJQANCHMSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359932702 1064670465 /nfs/dbraw/zinc/67/04/65/1064670465.db2.gz CJLNUZZRHJPWSO-UHFFFAOYSA-N 1 0 477.495 4.795 20 0 JJADRO CC(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001359933408 1064674535 /nfs/dbraw/zinc/67/45/35/1064674535.db2.gz RRMKFNRPVBCHPP-VQTJNVASSA-N 1 0 476.065 4.807 20 0 JJADRO CC(C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001359934095 1064677053 /nfs/dbraw/zinc/67/70/53/1064677053.db2.gz VWVVKVXJLFXXCY-NRFANRHFSA-N 1 0 453.034 4.998 20 0 JJADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)CC2)c1 ZINC001359935700 1064679358 /nfs/dbraw/zinc/67/93/58/1064679358.db2.gz KYYKNXCXHPYYJT-YPPSWOSUSA-N 1 0 460.405 4.944 20 0 JJADRO CC(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001359940581 1064685064 /nfs/dbraw/zinc/68/50/64/1064685064.db2.gz MLFQHIXJJAMXIY-UHFFFAOYSA-N 1 0 490.737 4.997 20 0 JJADRO CCOCc1nc(C)c(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)s1 ZINC001435314943 1064686667 /nfs/dbraw/zinc/68/66/67/1064686667.db2.gz CTQWGDTVZNLUCA-GOSISDBHSA-N 1 0 455.546 4.515 20 0 JJADRO COc1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c2ccccc2n1 ZINC001435316119 1064688591 /nfs/dbraw/zinc/68/85/91/1064688591.db2.gz LISDOXLRGMMTEU-LJQANCHMSA-N 1 0 457.496 4.770 20 0 JJADRO CC(C)(C)OC(=O)CCCCC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435316450 1064689249 /nfs/dbraw/zinc/68/92/49/1064689249.db2.gz OAMNSDGEZOFTJB-HXUWFJFHSA-N 1 0 456.549 4.802 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCCOC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001359947503 1064696428 /nfs/dbraw/zinc/69/64/28/1064696428.db2.gz AJIVMBDHZRJKHQ-HLAWJBBLSA-N 1 0 471.612 4.565 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N(C)Cc2cc(Cl)ccn2)CC1 ZINC001359947640 1064697173 /nfs/dbraw/zinc/69/71/73/1064697173.db2.gz CCCBTCBBEIYTCG-UHFFFAOYSA-N 1 0 468.049 4.783 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001359947794 1064697820 /nfs/dbraw/zinc/69/78/20/1064697820.db2.gz DLDPKTSGGFXGEM-HSZRJFAPSA-N 1 0 490.737 4.680 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CO)CC2)CC1 ZINC001359947751 1064697836 /nfs/dbraw/zinc/69/78/36/1064697836.db2.gz ONNYFTRHSVCBPA-UHFFFAOYSA-N 1 0 478.056 4.704 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001359947896 1064698667 /nfs/dbraw/zinc/69/86/67/1064698667.db2.gz GDYVBKNDHNMFOJ-HSZRJFAPSA-N 1 0 468.690 4.882 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3cccnc3)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001359947885 1064698722 /nfs/dbraw/zinc/69/87/22/1064698722.db2.gz FXJKGEUKGPQGDI-HSZRJFAPSA-N 1 0 450.675 4.815 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001359947897 1064698739 /nfs/dbraw/zinc/69/87/39/1064698739.db2.gz GDYVBKNDHNMFOJ-QHCPKHFHSA-N 1 0 468.690 4.882 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(Br)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001359947971 1064698822 /nfs/dbraw/zinc/69/88/22/1064698822.db2.gz QRTYIODHAYBUTA-JOCHJYFZSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001359948116 1064699330 /nfs/dbraw/zinc/69/93/30/1064699330.db2.gz JGZWVQVRMKBMFB-NRFANRHFSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCN(C)c3ccccc3C2)CC1 ZINC001359948567 1064700191 /nfs/dbraw/zinc/70/01/91/1064700191.db2.gz OFKXNDOGABDPKX-UHFFFAOYSA-N 1 0 452.691 4.691 20 0 JJADRO CC(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359948632 1064700658 /nfs/dbraw/zinc/70/06/58/1064700658.db2.gz WZBFXBWQOQFRFQ-OYRHEFFESA-N 1 0 474.694 4.550 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccc3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001359948594 1064700709 /nfs/dbraw/zinc/70/07/09/1064700709.db2.gz PBJIMOKMOPXNBO-UHFFFAOYSA-N 1 0 492.634 4.778 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCOC[C@@H](C3CCC3)C2)CC1 ZINC001359948892 1064701083 /nfs/dbraw/zinc/70/10/83/1064701083.db2.gz SYWRJKUYILYRAQ-DEOSSOPVSA-N 1 0 459.723 4.878 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001359949063 1064701481 /nfs/dbraw/zinc/70/14/81/1064701481.db2.gz WCOVHUOZTMZKIX-RUZDIDTESA-N 1 0 482.717 4.806 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccco3)C2)CC1 ZINC001359948981 1064701609 /nfs/dbraw/zinc/70/16/09/1064701609.db2.gz UYBAEIQGZWYMBF-QHCPKHFHSA-N 1 0 457.663 4.796 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccs2)CC1 ZINC001359949138 1064702017 /nfs/dbraw/zinc/70/20/17/1064702017.db2.gz WSMLEYMCPLICGO-UHFFFAOYSA-N 1 0 452.672 4.720 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N3CCN(c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001359950333 1064704327 /nfs/dbraw/zinc/70/43/27/1064704327.db2.gz HYZNOKMARIQIRW-UHFFFAOYSA-N 1 0 470.681 4.799 20 0 JJADRO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435336663 1064707509 /nfs/dbraw/zinc/70/75/09/1064707509.db2.gz BLRKBNUKUJSSPL-HXOBKFHXSA-N 1 0 456.512 4.840 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N3CC[C@H](C)[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001359951027 1064707595 /nfs/dbraw/zinc/70/75/95/1064707595.db2.gz RIWZBXQZPGJLAF-VMODYCNZSA-N 1 0 475.722 4.559 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(N3CCCC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001359950889 1064707761 /nfs/dbraw/zinc/70/77/61/1064707761.db2.gz PRHYREODIJQGEX-HHHXNRCGSA-N 1 0 475.722 4.703 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001359952090 1064713599 /nfs/dbraw/zinc/71/35/99/1064713599.db2.gz MRGXUNBOLUWTGV-RCZVLFRGSA-N 1 0 469.674 4.716 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001359952675 1064716367 /nfs/dbraw/zinc/71/63/67/1064716367.db2.gz ZOVCWGGFQFTGMD-QFIPXVFZSA-N 1 0 469.674 4.717 20 0 JJADRO COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1 ZINC001435351232 1064717253 /nfs/dbraw/zinc/71/72/53/1064717253.db2.gz YWFBDCFYXAALKJ-LJQANCHMSA-N 1 0 456.546 4.868 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001359954009 1064717955 /nfs/dbraw/zinc/71/79/55/1064717955.db2.gz AGVNCGXHPNKTFN-WIOPSUGQSA-N 1 0 469.674 4.716 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCC(C)(C)O)cc1 ZINC001359954397 1064719521 /nfs/dbraw/zinc/71/95/21/1064719521.db2.gz GMNRRFMWLBEJQP-UHFFFAOYSA-N 1 0 469.674 4.596 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)cc1 ZINC001545890449 1064721060 /nfs/dbraw/zinc/72/10/60/1064721060.db2.gz AZVMFBJUIQXGGS-AREMUKBSSA-N 1 0 458.558 4.502 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(Nc3ccn(C)n3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001359954767 1064721702 /nfs/dbraw/zinc/72/17/02/1064721702.db2.gz PXVHUMDLKKGJSH-QFIPXVFZSA-N 1 0 465.646 4.968 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@]2(C)CCCO2)cc1 ZINC001359955232 1064724001 /nfs/dbraw/zinc/72/40/01/1064724001.db2.gz SDTPPTBVUSGKFQ-HHHXNRCGSA-N 1 0 469.674 4.860 20 0 JJADRO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[C@H](C)NC(=O)OC(C)(C)C ZINC001435364832 1064725703 /nfs/dbraw/zinc/72/57/03/1064725703.db2.gz UXCKDZOQPWMABA-JEYPMZLKSA-N 1 0 457.659 4.687 20 0 JJADRO CN1C(=O)C[C@H](C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC001435373589 1064728649 /nfs/dbraw/zinc/72/86/49/1064728649.db2.gz VWXOLKGXXAYKNR-XTEPFMGCSA-N 1 0 473.592 4.554 20 0 JJADRO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001359966980 1064742255 /nfs/dbraw/zinc/74/22/55/1064742255.db2.gz IPCREKWZPSMGAF-SGNDLWITSA-N 1 0 461.695 4.673 20 0 JJADRO CC(C)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359970790 1064747233 /nfs/dbraw/zinc/74/72/33/1064747233.db2.gz DMXWUUUGQDNLLO-ZCNNSNEGSA-N 1 0 464.054 4.663 20 0 JJADRO CC(C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001359973058 1064749986 /nfs/dbraw/zinc/74/99/86/1064749986.db2.gz IFPPHNVUSAEVGB-UHFFFAOYSA-N 1 0 453.034 4.998 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359973481 1064750966 /nfs/dbraw/zinc/75/09/66/1064750966.db2.gz UIJLUHADMMXGMW-WOJBJXKFSA-N 1 0 459.704 4.867 20 0 JJADRO CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359978286 1064754291 /nfs/dbraw/zinc/75/42/91/1064754291.db2.gz UCJZRVNKLVBZBB-UHFFFAOYSA-N 1 0 476.710 4.607 20 0 JJADRO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCCC1 ZINC001359982359 1064756953 /nfs/dbraw/zinc/75/69/53/1064756953.db2.gz APWQGFVCLLSLHX-DHIUTWEWSA-N 1 0 472.722 4.677 20 0 JJADRO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C(C)C ZINC001359982393 1064757564 /nfs/dbraw/zinc/75/75/64/1064757564.db2.gz BVHTUWCFKIPGJY-NRFANRHFSA-N 1 0 454.663 4.514 20 0 JJADRO CC(C)CN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)[NH+]1CCC(C)CC1)C1CCCC1 ZINC001359983252 1064759780 /nfs/dbraw/zinc/75/97/80/1064759780.db2.gz MXKIETHHIHUGLM-WNCULLNHSA-N 1 0 475.722 4.844 20 0 JJADRO CC(C)CN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)[NH+]1CCC(C)CC1)C1CCCC1 ZINC001359983253 1064759834 /nfs/dbraw/zinc/75/98/34/1064759834.db2.gz MXKIETHHIHUGLM-YIXXDRMTSA-N 1 0 475.722 4.844 20 0 JJADRO CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001359983471 1064760493 /nfs/dbraw/zinc/76/04/93/1064760493.db2.gz ZDHRGVUYFBVDSJ-LEWJYISDSA-N 1 0 486.661 4.872 20 0 JJADRO CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001359983701 1064760691 /nfs/dbraw/zinc/76/06/91/1064760691.db2.gz WKUDUBOBNCYCRG-OBTVHEKISA-N 1 0 477.738 4.946 20 0 JJADRO CC(C)CN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC001359984569 1064761938 /nfs/dbraw/zinc/76/19/38/1064761938.db2.gz APIGIIJKDLPGBC-HXUWFJFHSA-N 1 0 460.066 4.972 20 0 JJADRO CC(C)CN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CC[NH+](C(C)C)CC1)C(C)C ZINC001359984840 1064762784 /nfs/dbraw/zinc/76/27/84/1064762784.db2.gz CPOYGEHJJLDFPZ-UHFFFAOYSA-N 1 0 466.045 4.844 20 0 JJADRO CC(C)CN(c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](C)C1CCCC1)C(C)C ZINC001359985241 1064763899 /nfs/dbraw/zinc/76/38/99/1064763899.db2.gz JPHNGIQUBHQFHJ-UHFFFAOYSA-N 1 0 465.484 4.791 20 0 JJADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)C1 ZINC001435450976 1064764568 /nfs/dbraw/zinc/76/45/68/1064764568.db2.gz GLIDMARFSNREIB-OAQYLSRUSA-N 1 0 451.542 4.721 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001435458153 1064768496 /nfs/dbraw/zinc/76/84/96/1064768496.db2.gz GJEAHWJHLNQUQZ-WOJBJXKFSA-N 1 0 451.611 4.598 20 0 JJADRO CC(C)CN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1([NH+](C)C)CCSC1)C(C)C ZINC001359987762 1064768804 /nfs/dbraw/zinc/76/88/04/1064768804.db2.gz WJXSMIVEIOGASA-VWLOTQADSA-N 1 0 454.688 4.745 20 0 JJADRO C[NH+](C)CCCOc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)cc1 ZINC001359988211 1064769127 /nfs/dbraw/zinc/76/91/27/1064769127.db2.gz WYFGXWFYTFEPLH-UHFFFAOYSA-N 1 0 456.949 4.736 20 0 JJADRO CC(C)CN(c1nnc(Cc2ccccn2)n1CC1([NH+]2CCSCC2)CCCCC1)C(C)C ZINC001359990247 1064772179 /nfs/dbraw/zinc/77/21/79/1064772179.db2.gz KXVRCDLQMGXFTF-UHFFFAOYSA-N 1 0 470.731 4.886 20 0 JJADRO CC(C)CN(c1nnc(Cc2ccccc2F)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001359991486 1064773279 /nfs/dbraw/zinc/77/32/79/1064773279.db2.gz ZYRAHWATWHBWFR-OYRHEFFESA-N 1 0 459.654 4.767 20 0 JJADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001359994667 1064778057 /nfs/dbraw/zinc/77/80/57/1064778057.db2.gz YOBIBMUPAWFEJM-UHFFFAOYSA-N 1 0 459.377 4.639 20 0 JJADRO Cc1cc(C(C)(C)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)ccc1Br ZINC001435477545 1064780543 /nfs/dbraw/zinc/78/05/43/1064780543.db2.gz OOCMQGBBRAXMIM-UHFFFAOYSA-N 1 0 459.432 4.599 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)Nc1cccn(Cc2ccccc2)c1=O)c1cccc(C(F)(F)F)c1 ZINC001435481238 1064782157 /nfs/dbraw/zinc/78/21/57/1064782157.db2.gz CFUKVIKONXENSV-QFIPXVFZSA-N 1 0 457.496 4.937 20 0 JJADRO O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001435501790 1064792171 /nfs/dbraw/zinc/79/21/71/1064792171.db2.gz FYRSCNAFUPUNMW-NRFANRHFSA-N 1 0 451.299 4.688 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)c2ccccc2)C1 ZINC001360007394 1064794831 /nfs/dbraw/zinc/79/48/31/1064794831.db2.gz BWSVYVBUABOMMK-XZOQPEGZSA-N 1 0 489.668 4.533 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001360007503 1064795091 /nfs/dbraw/zinc/79/50/91/1064795091.db2.gz DGJQMWADZFTCCL-HKBOAZHASA-N 1 0 476.065 4.665 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)C2)C1 ZINC001360007539 1064795239 /nfs/dbraw/zinc/79/52/39/1064795239.db2.gz DMMWNWQTQKOSSY-RTWAWAEBSA-N 1 0 473.637 4.540 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cccc(F)c2SC)cc1Cl ZINC001435510273 1064796609 /nfs/dbraw/zinc/79/66/09/1064796609.db2.gz QKPNRZZGMUOOKH-UHFFFAOYSA-N 1 0 451.995 4.915 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)C1 ZINC001360008215 1064796749 /nfs/dbraw/zinc/79/67/49/1064796749.db2.gz NCVYEAJIQVGUMM-ROUUACIJSA-N 1 0 471.543 4.924 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360008661 1064798263 /nfs/dbraw/zinc/79/82/63/1064798263.db2.gz VFVURUKPEUKLRM-OFNKIYASSA-N 1 0 491.627 4.920 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCCO[C@H](C)C2)C1 ZINC001360008552 1064798319 /nfs/dbraw/zinc/79/83/19/1064798319.db2.gz SXPDOBYWJRCFCP-UXHICEINSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CC(F)(F)F)C1 ZINC001360009991 1064799759 /nfs/dbraw/zinc/79/97/59/1064799759.db2.gz IPUXVMLCPGDZBW-SFHVURJKSA-N 1 0 460.548 4.860 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001360010104 1064800793 /nfs/dbraw/zinc/80/07/93/1064800793.db2.gz KNPJVEJJQMXRCJ-VXKWHMMOSA-N 1 0 490.092 4.709 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C2CCC2)C1 ZINC001360010205 1064801496 /nfs/dbraw/zinc/80/14/96/1064801496.db2.gz MJUXXAPYXRPHQI-OAQYLSRUSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360010575 1064802869 /nfs/dbraw/zinc/80/28/69/1064802869.db2.gz RVZQZUMVRJKUME-ZWKOTPCHSA-N 1 0 496.519 4.610 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)S[C@@H](C)C2)C1 ZINC001360010857 1064804363 /nfs/dbraw/zinc/80/43/63/1064804363.db2.gz XCAJHUMGXSJQAK-FHWLQOOXSA-N 1 0 463.095 4.692 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C3CCC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010737 1064804462 /nfs/dbraw/zinc/80/44/62/1064804462.db2.gz VHIBUDIPORAKAS-FGZHOGPDSA-N 1 0 488.721 4.607 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CCC=C(Br)C2)C1 ZINC001360010729 1064804521 /nfs/dbraw/zinc/80/45/21/1064804521.db2.gz VGJWVMIYYBGEIS-SFHVURJKSA-N 1 0 450.469 4.793 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](COC(C)C)C2)C1 ZINC001360010754 1064804582 /nfs/dbraw/zinc/80/45/82/1064804582.db2.gz VWDSOASSKYROCJ-VXKWHMMOSA-N 1 0 490.092 4.597 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001360012019 1064807402 /nfs/dbraw/zinc/80/74/02/1064807402.db2.gz KQXWNVIIYKAHDV-SFTDATJTSA-N 1 0 486.730 4.510 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)C1 ZINC001360011815 1064807481 /nfs/dbraw/zinc/80/74/81/1064807481.db2.gz IVIZOHDULAIXKS-CVDCTZTESA-N 1 0 475.628 4.800 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@@H]2C)C1 ZINC001360012729 1064810156 /nfs/dbraw/zinc/81/01/56/1064810156.db2.gz VGJPXACMKXRNJO-PMACEKPBSA-N 1 0 478.106 4.820 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001360012739 1064811197 /nfs/dbraw/zinc/81/11/97/1064811197.db2.gz VGZBCLRXLZGWNC-IAGOWNOFSA-N 1 0 486.608 4.609 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C(C)(C)C)C2)C1 ZINC001360012998 1064811314 /nfs/dbraw/zinc/81/13/14/1064811314.db2.gz ZYRQTJVGGYYNHU-MOUTVQLLSA-N 1 0 489.749 4.816 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360014987 1064813821 /nfs/dbraw/zinc/81/38/21/1064813821.db2.gz LNZBFQWSGZZGON-ZBLYBZFDSA-N 1 0 487.664 4.667 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001360015993 1064814581 /nfs/dbraw/zinc/81/45/81/1064814581.db2.gz VMYANOIOCIBDHT-QUCCMNQESA-N 1 0 460.464 4.922 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001360015994 1064814652 /nfs/dbraw/zinc/81/46/52/1064814652.db2.gz VMYANOIOCIBDHT-UYAOXDASSA-N 1 0 460.464 4.922 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(C)(C)C)CC1 ZINC001360017367 1064817789 /nfs/dbraw/zinc/81/77/89/1064817789.db2.gz DYLPWYJTSWZNMD-UHFFFAOYSA-N 1 0 451.457 4.640 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360017312 1064817806 /nfs/dbraw/zinc/81/78/06/1064817806.db2.gz CWNCKIILYLCWQL-WOJBJXKFSA-N 1 0 477.600 4.530 20 0 JJADRO CCS[C@H](C)c1noc(CN(C)C(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)n1 ZINC001435541522 1064819230 /nfs/dbraw/zinc/81/92/30/1064819230.db2.gz ALFZPLVRBXUDBZ-KDOFPFPSSA-N 1 0 458.550 4.944 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCSC2)CC1 ZINC001360018905 1064821167 /nfs/dbraw/zinc/82/11/67/1064821167.db2.gz YJSCRKRKXZFNDS-MRXNPFEDSA-N 1 0 454.471 4.783 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360021856 1064826060 /nfs/dbraw/zinc/82/60/60/1064826060.db2.gz UGVXGGPWOMMGDO-UHFFFAOYSA-N 1 0 491.080 4.634 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001360024887 1064827421 /nfs/dbraw/zinc/82/74/21/1064827421.db2.gz NIJBMMUEYKMKJE-DNVJHFABSA-N 1 0 488.721 4.607 20 0 JJADRO CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c1 ZINC001360026780 1064828343 /nfs/dbraw/zinc/82/83/43/1064828343.db2.gz GYMFANSJPZDLLR-UHFFFAOYSA-N 1 0 459.631 4.506 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001360027838 1064829300 /nfs/dbraw/zinc/82/93/00/1064829300.db2.gz RIGTZSPQNALFMS-UHFFFAOYSA-N 1 0 467.580 4.634 20 0 JJADRO CN(Cc1cc(Br)cn1C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001435558289 1064829648 /nfs/dbraw/zinc/82/96/48/1064829648.db2.gz RXPYFKTVGXZAHD-NHCUHLMSSA-N 1 0 472.452 4.723 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001360032066 1064834545 /nfs/dbraw/zinc/83/45/45/1064834545.db2.gz SDNKBCJUQURFFR-XNMGPUDCSA-N 1 0 467.702 4.683 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001360032065 1064834690 /nfs/dbraw/zinc/83/46/90/1064834690.db2.gz SDNKBCJUQURFFR-VPUSJEBWSA-N 1 0 467.702 4.683 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(C)CCCO2)CC1 ZINC001360034307 1064838126 /nfs/dbraw/zinc/83/81/26/1064838126.db2.gz SPWRHGSBKYMRAT-HSZRJFAPSA-N 1 0 464.079 4.571 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@H](C)CC2)C1 ZINC001360034239 1064838142 /nfs/dbraw/zinc/83/81/42/1064838142.db2.gz CYRJWCOTZLGDSV-UYAOXDASSA-N 1 0 464.029 4.721 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](C)CC2)C1 ZINC001360034134 1064838357 /nfs/dbraw/zinc/83/83/57/1064838357.db2.gz BNVHVHSUVISDAR-IMSXRSKXSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001360034986 1064839085 /nfs/dbraw/zinc/83/90/85/1064839085.db2.gz IJUUZJGINJSXGT-ICSRJNTNSA-N 1 0 478.056 4.967 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001360034517 1064839246 /nfs/dbraw/zinc/83/92/46/1064839246.db2.gz BWJABNITRWMVRB-UHFFFAOYSA-N 1 0 453.411 4.843 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360034990 1064839851 /nfs/dbraw/zinc/83/98/51/1064839851.db2.gz IJUUZJGINJSXGT-UYAOXDASSA-N 1 0 478.056 4.967 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCCC[C@H](C)C2)C1 ZINC001360035713 1064841007 /nfs/dbraw/zinc/84/10/07/1064841007.db2.gz PPSVEXKHOKPDLT-SIKLNZKXSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCCC[C@@H](C)C2)C1 ZINC001360035712 1064841276 /nfs/dbraw/zinc/84/12/76/1064841276.db2.gz PPSVEXKHOKPDLT-KNQAVFIVSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2nccs2)C1 ZINC001360035931 1064842212 /nfs/dbraw/zinc/84/22/12/1064842212.db2.gz RHXXQORUTSLBNP-JOCHJYFZSA-N 1 0 482.698 4.692 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)C1 ZINC001360036357 1064844616 /nfs/dbraw/zinc/84/46/16/1064844616.db2.gz YMRZRUPTBWGCLW-OIBXWCBGSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)C1 ZINC001360036360 1064845358 /nfs/dbraw/zinc/84/53/58/1064845358.db2.gz YMRZRUPTBWGCLW-VJBMBRPKSA-N 1 0 460.066 4.970 20 0 JJADRO O=C(c1cc(COc2ccccc2F)on1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001360037693 1064847255 /nfs/dbraw/zinc/84/72/55/1064847255.db2.gz QMQJAMPKETVRJX-UHFFFAOYSA-N 1 0 457.933 4.784 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001360038584 1064849610 /nfs/dbraw/zinc/84/96/10/1064849610.db2.gz HLVGFSMHOXDCDL-QHCPKHFHSA-N 1 0 488.721 4.677 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)[C@H](C)c2cccs2)C1 ZINC001360038211 1064849716 /nfs/dbraw/zinc/84/97/16/1064849716.db2.gz CJOZAZSWPYSSMO-WOJBJXKFSA-N 1 0 487.645 4.612 20 0 JJADRO C[C@H]1C[C@@H](CCNC(=O)c2ccccc2CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001435586358 1064850559 /nfs/dbraw/zinc/85/05/59/1064850559.db2.gz MIADKKYAVZNGTB-RBBKRZOGSA-N 1 0 451.611 4.742 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CCCc3ccccc3)nnc2N(C)C2CCCCC2)C1 ZINC001360039042 1064852477 /nfs/dbraw/zinc/85/24/77/1064852477.db2.gz LTHMHVJFBZIDEU-RUZDIDTESA-N 1 0 453.675 4.579 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@@H](C)c2ccccc2)C1 ZINC001360039646 1064853262 /nfs/dbraw/zinc/85/32/62/1064853262.db2.gz QOBZLZXANMIFBP-VNSJUHMKSA-N 1 0 497.728 4.793 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC001360039767 1064854203 /nfs/dbraw/zinc/85/42/03/1064854203.db2.gz MXSCBNUYSCCGMU-OALUTQOASA-N 1 0 496.121 4.516 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001360040309 1064854999 /nfs/dbraw/zinc/85/49/99/1064854999.db2.gz PNIGTKBQAHXABP-REWPJTCUSA-N 1 0 474.093 4.752 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360040308 1064855279 /nfs/dbraw/zinc/85/52/79/1064855279.db2.gz PNIGTKBQAHXABP-OFNKIYASSA-N 1 0 474.093 4.752 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001360041207 1064856687 /nfs/dbraw/zinc/85/66/87/1064856687.db2.gz XRRLWGGDBHYVHI-HSZRJFAPSA-N 1 0 493.618 4.589 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(C3CCCC3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001360041419 1064856832 /nfs/dbraw/zinc/85/68/32/1064856832.db2.gz AMKGUBSVVDAJLU-UHFFFAOYSA-N 1 0 488.721 4.897 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)c2cccs2)C1 ZINC001360040904 1064856977 /nfs/dbraw/zinc/85/69/77/1064856977.db2.gz VFLYESMCHOJLLX-ICSRJNTNSA-N 1 0 459.685 4.546 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cc3c(nc(C)cc3C)s2)ccc1Cl ZINC001435592362 1064858044 /nfs/dbraw/zinc/85/80/44/1064858044.db2.gz LTQXWDACVWXKTF-UHFFFAOYSA-N 1 0 459.015 4.890 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001435592667 1064858739 /nfs/dbraw/zinc/85/87/39/1064858739.db2.gz ZWVANQJTYUTJSV-FYYLOGMGSA-N 1 0 458.021 4.922 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(CC3CCCC3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360042738 1064858997 /nfs/dbraw/zinc/85/89/97/1064858997.db2.gz AFEBQFAZMNVOBB-UHFFFAOYSA-N 1 0 488.721 4.580 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(CC(C)C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001360043118 1064859666 /nfs/dbraw/zinc/85/96/66/1064859666.db2.gz FUFJSLKPDGUCIW-HSZRJFAPSA-N 1 0 498.716 4.911 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001360044340 1064862932 /nfs/dbraw/zinc/86/29/32/1064862932.db2.gz VCVOHUXMMJZTTN-UHFFFAOYSA-N 1 0 490.737 4.828 20 0 JJADRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)c2)CC1 ZINC001435600869 1064865619 /nfs/dbraw/zinc/86/56/19/1064865619.db2.gz SPVJWEJPUUBOMR-UHFFFAOYSA-N 1 0 456.590 4.790 20 0 JJADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(F)cc(Br)c1 ZINC001435601532 1064865709 /nfs/dbraw/zinc/86/57/09/1064865709.db2.gz XZCSQNVSEUUEAA-FQEVSTJZSA-N 1 0 457.347 4.792 20 0 JJADRO CC(C)COc1ccc(Cn2c(N3CC[C@@H](C[NH+]4CCCCC4)C3)nnc2C(C)(C)C)cc1 ZINC001360050044 1064873590 /nfs/dbraw/zinc/87/35/90/1064873590.db2.gz HDOJUTTXVUSGLH-QHCPKHFHSA-N 1 0 453.675 4.971 20 0 JJADRO CC(C)COc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001360051431 1064877856 /nfs/dbraw/zinc/87/78/56/1064877856.db2.gz CCABPANFFBMBJT-UHFFFAOYSA-N 1 0 478.685 4.923 20 0 JJADRO CC(C)COc1cccc(Cn2c(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)nnc2C(C)(C)C)c1 ZINC001360051704 1064879466 /nfs/dbraw/zinc/87/94/66/1064879466.db2.gz FVAPFKFHLUPJBM-NRFANRHFSA-N 1 0 453.675 4.969 20 0 JJADRO CCC[N@H+](CC)Cc1ccc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cc1 ZINC001435622202 1064884215 /nfs/dbraw/zinc/88/42/15/1064884215.db2.gz PUVRQLKVXJZRLP-JOCHJYFZSA-N 1 0 454.615 4.785 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC001360055412 1064884863 /nfs/dbraw/zinc/88/48/63/1064884863.db2.gz SRRLBHGISIGKRB-VWPQPMDRSA-N 1 0 459.704 4.972 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360056415 1064887215 /nfs/dbraw/zinc/88/72/15/1064887215.db2.gz CJIMLRJWNLOXAF-YADHBBJMSA-N 1 0 487.664 4.931 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001360056596 1064887663 /nfs/dbraw/zinc/88/76/63/1064887663.db2.gz DFKASYMDAPNVGR-JYFHCDHNSA-N 1 0 497.728 4.995 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001360056452 1064887805 /nfs/dbraw/zinc/88/78/05/1064887805.db2.gz CQLGQPUOBTWBRX-LPHOPBHVSA-N 1 0 466.457 4.986 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001360061977 1064901814 /nfs/dbraw/zinc/90/18/14/1064901814.db2.gz FCMKDBSRYZMNLU-DQEYMECFSA-N 1 0 467.702 4.683 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001360063890 1064904775 /nfs/dbraw/zinc/90/47/75/1064904775.db2.gz SUZSWEQHQGOHCL-RTWAWAEBSA-N 1 0 475.628 4.519 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001360067460 1064912246 /nfs/dbraw/zinc/91/22/46/1064912246.db2.gz WTCOYJSNXGFWDS-YTFSRNRJSA-N 1 0 475.722 4.713 20 0 JJADRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1F ZINC001435655944 1064912399 /nfs/dbraw/zinc/91/23/99/1064912399.db2.gz GAYUCVCMUTVNAK-AOHZBQACSA-N 1 0 451.586 4.841 20 0 JJADRO CC(C)CSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001360082708 1064942797 /nfs/dbraw/zinc/94/27/97/1064942797.db2.gz KGFFASPBYJBPGO-SFHVURJKSA-N 1 0 496.494 4.910 20 0 JJADRO CC(C)CSCCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360083099 1064944726 /nfs/dbraw/zinc/94/47/26/1064944726.db2.gz WWOYAMUXOFTBHL-XMMPIXPASA-N 1 0 464.683 4.830 20 0 JJADRO C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435699442 1064945620 /nfs/dbraw/zinc/94/56/20/1064945620.db2.gz BJEHUPKIEBBXMT-TUACAJSNSA-N 1 0 457.659 4.877 20 0 JJADRO C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435699435 1064945711 /nfs/dbraw/zinc/94/57/11/1064945711.db2.gz BJEHUPKIEBBXMT-NKKJXINNSA-N 1 0 457.659 4.877 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001435711653 1064950822 /nfs/dbraw/zinc/95/08/22/1064950822.db2.gz QJHJWTJOTHLQON-UHFFFAOYSA-N 1 0 457.500 4.665 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001360087395 1064951982 /nfs/dbraw/zinc/95/19/82/1064951982.db2.gz LJMAMWNTFQEXGM-UHFFFAOYSA-N 1 0 458.002 4.599 20 0 JJADRO CC(C)(C)OC(=O)C1(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CCCCCC1 ZINC001435715606 1064952569 /nfs/dbraw/zinc/95/25/69/1064952569.db2.gz SLYFXPPOXYYYME-UHFFFAOYSA-N 1 0 458.643 4.502 20 0 JJADRO Cc1c(C(=O)NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cccc1-c1ccccn1 ZINC001435722571 1064955192 /nfs/dbraw/zinc/95/51/92/1064955192.db2.gz DGBDINDQJDGOPN-SZPZYZBQSA-N 1 0 457.618 4.996 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(Cc4ccccc4Br)CC3)cc2)CC1 ZINC001435725602 1064957473 /nfs/dbraw/zinc/95/74/73/1064957473.db2.gz KEXKHTFTKSQIGP-UHFFFAOYSA-N 1 0 456.428 4.941 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001360092092 1064959849 /nfs/dbraw/zinc/95/98/49/1064959849.db2.gz RXVLEZRVSJZVHM-HHHXNRCGSA-N 1 0 464.658 4.803 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2cccnc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360091957 1064959888 /nfs/dbraw/zinc/95/98/88/1064959888.db2.gz MTGNNLOMLQXYIS-UHFFFAOYSA-N 1 0 470.543 4.927 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360092366 1064960711 /nfs/dbraw/zinc/96/07/11/1064960711.db2.gz CGNKQGGXGBZNLK-XMMPIXPASA-N 1 0 496.700 4.928 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360092333 1064960756 /nfs/dbraw/zinc/96/07/56/1064960756.db2.gz BFLVADUTYXWFAB-AREMUKBSSA-N 1 0 490.696 4.936 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCSC1 ZINC001360092370 1064960782 /nfs/dbraw/zinc/96/07/82/1064960782.db2.gz CMMSMNBRMYMEBT-QFIPXVFZSA-N 1 0 455.697 4.761 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)CC1 ZINC001360092554 1064961940 /nfs/dbraw/zinc/96/19/40/1064961940.db2.gz JTSMHZHTZUHPAN-UHFFFAOYSA-N 1 0 496.744 4.522 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CCCC2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360092596 1064962941 /nfs/dbraw/zinc/96/29/41/1064962941.db2.gz LKXARLZRLCFTEK-UHFFFAOYSA-N 1 0 470.065 4.848 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCCCCC1 ZINC001360092806 1064963769 /nfs/dbraw/zinc/96/37/69/1064963769.db2.gz UCKPZNTUEOKCMP-UHFFFAOYSA-N 1 0 494.709 4.929 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360092711 1064963904 /nfs/dbraw/zinc/96/39/04/1064963904.db2.gz PFVAOJCFWPLOSO-XMMPIXPASA-N 1 0 496.700 4.880 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2ccccn2)CC1 ZINC001360092800 1064964060 /nfs/dbraw/zinc/96/40/60/1064964060.db2.gz TVVZFRKFHMTBHJ-UHFFFAOYSA-N 1 0 453.034 4.793 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360092862 1064964750 /nfs/dbraw/zinc/96/47/50/1064964750.db2.gz VJKJZYWXCDZZFW-LJAQVGFWSA-N 1 0 490.696 4.794 20 0 JJADRO COc1ccc(-c2nnc(NC(=O)c3ccccc3OCC[N@@H+]3CCCC[C@@H]3C)s2)cc1 ZINC001435736575 1064964888 /nfs/dbraw/zinc/96/48/88/1064964888.db2.gz KRHHRUHKHXZJDS-KRWDZBQOSA-N 1 0 452.580 4.719 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCCCCC2)CC1 ZINC001360094609 1064966874 /nfs/dbraw/zinc/96/68/74/1064966874.db2.gz GLVAXDCBSURRAJ-UHFFFAOYSA-N 1 0 457.638 4.726 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001360094938 1064967884 /nfs/dbraw/zinc/96/78/84/1064967884.db2.gz QOCOQYAOATZFHN-UHFFFAOYSA-N 1 0 494.606 4.985 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CSCCS2)CC1 ZINC001360095212 1064968122 /nfs/dbraw/zinc/96/81/22/1064968122.db2.gz AEZHNBNJOUOLRF-XMMPIXPASA-N 1 0 487.783 4.859 20 0 JJADRO Cc1cc2nc(-c3ccccc3)cc(C(=O)NCc3ccnc(OCC[NH+](C)C)c3)c2cc1C ZINC001435744124 1064968392 /nfs/dbraw/zinc/96/83/92/1064968392.db2.gz AILABQPPUDOWJP-UHFFFAOYSA-N 1 0 454.574 4.784 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2CC2)CC1 ZINC001360095038 1064968645 /nfs/dbraw/zinc/96/86/45/1064968645.db2.gz UTLYJOHKEGCCJR-QHCPKHFHSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)CC1 ZINC001360095497 1064969756 /nfs/dbraw/zinc/96/97/56/1064969756.db2.gz KVULITHJYICAFX-BGYRXZFFSA-N 1 0 498.663 4.651 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360095874 1064970823 /nfs/dbraw/zinc/97/08/23/1064970823.db2.gz SKWYIRDDABEPHS-SSGKUCQKSA-N 1 0 463.686 4.892 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2cccnc2)CC1 ZINC001360096070 1064971783 /nfs/dbraw/zinc/97/17/83/1064971783.db2.gz WDXKGSIWYCMCML-UHFFFAOYSA-N 1 0 467.061 4.717 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001360097245 1064973118 /nfs/dbraw/zinc/97/31/18/1064973118.db2.gz AOGZAHMMZGASBD-FQEVSTJZSA-N 1 0 456.997 4.857 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001360097328 1064973669 /nfs/dbraw/zinc/97/36/69/1064973669.db2.gz CUNZMNPFZCEKFE-NRFANRHFSA-N 1 0 490.490 4.569 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001360097312 1064974080 /nfs/dbraw/zinc/97/40/80/1064974080.db2.gz COHWZXDTSZNIQR-RTWAWAEBSA-N 1 0 494.453 4.725 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001360097394 1064974584 /nfs/dbraw/zinc/97/45/84/1064974584.db2.gz GCRMENSYEZPWBP-UWJYYQICSA-N 1 0 494.453 4.582 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccoc1 ZINC001360097474 1064974626 /nfs/dbraw/zinc/97/46/26/1064974626.db2.gz IRUUPNBAPZULIG-UHFFFAOYSA-N 1 0 464.383 4.806 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)CC2CCC(C)(C)CC2)cc1OC ZINC001435752305 1064976334 /nfs/dbraw/zinc/97/63/34/1064976334.db2.gz YBDGWWSBPNYAND-UHFFFAOYSA-N 1 0 452.039 4.965 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001360097968 1064977323 /nfs/dbraw/zinc/97/73/23/1064977323.db2.gz WOEMKMFQSVUHHV-UHFFFAOYSA-N 1 0 486.039 4.580 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccccn2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001360098499 1064977928 /nfs/dbraw/zinc/97/79/28/1064977928.db2.gz UZCBFAHGILJLKA-OAQYLSRUSA-N 1 0 489.437 4.980 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001360099854 1064979134 /nfs/dbraw/zinc/97/91/34/1064979134.db2.gz CSYABFOAEHLYHC-QZTJIDSGSA-N 1 0 468.067 4.543 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001360099856 1064979434 /nfs/dbraw/zinc/97/94/34/1064979434.db2.gz CSYABFOAEHLYHC-ZWKOTPCHSA-N 1 0 468.067 4.543 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360100443 1064979830 /nfs/dbraw/zinc/97/98/30/1064979830.db2.gz MSHZBJQTCGLYDO-DEOSSOPVSA-N 1 0 492.590 4.686 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 ZINC001360101693 1064981524 /nfs/dbraw/zinc/98/15/24/1064981524.db2.gz XXDZORKCUKLNGF-LJQANCHMSA-N 1 0 463.964 4.773 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001360101418 1064981555 /nfs/dbraw/zinc/98/15/55/1064981555.db2.gz OHWVLLSBEMUKJN-HXUWFJFHSA-N 1 0 474.074 4.972 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001360103191 1064982442 /nfs/dbraw/zinc/98/24/42/1064982442.db2.gz BPBIMFSLXIJPMG-IBGZPJMESA-N 1 0 488.105 4.682 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001360103557 1064983036 /nfs/dbraw/zinc/98/30/36/1064983036.db2.gz QCODKVNVAKUMKU-RDGATRHJSA-N 1 0 483.701 4.890 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(CC2CC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360103483 1064983430 /nfs/dbraw/zinc/98/34/30/1064983430.db2.gz NIVWDIUCURUAGR-QGZVFWFLSA-N 1 0 470.609 4.820 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360103812 1064983895 /nfs/dbraw/zinc/98/38/95/1064983895.db2.gz YTCQSCUPIGOKFN-QHCPKHFHSA-N 1 0 453.675 4.730 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccccc2CC1 ZINC001360103993 1064985214 /nfs/dbraw/zinc/98/52/14/1064985214.db2.gz GQKZDBGTMLFWAO-UHFFFAOYSA-N 1 0 474.472 4.715 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001360104443 1064985647 /nfs/dbraw/zinc/98/56/47/1064985647.db2.gz RLVNSVILWPZSCG-HXUWFJFHSA-N 1 0 471.447 4.510 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360104734 1064985874 /nfs/dbraw/zinc/98/58/74/1064985874.db2.gz WJJNCRYYMIAXBP-BEFAXECRSA-N 1 0 450.400 4.566 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](c2ccco2)C1 ZINC001360106659 1064987944 /nfs/dbraw/zinc/98/79/44/1064987944.db2.gz MFGIGTYVWQYXMI-KRWDZBQOSA-N 1 0 458.404 4.635 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N(C)Cc1ccc(Br)o1 ZINC001360106562 1064988105 /nfs/dbraw/zinc/98/81/05/1064988105.db2.gz IRIDUZFCDGHZHF-UHFFFAOYSA-N 1 0 483.414 4.825 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360107118 1064989545 /nfs/dbraw/zinc/98/95/45/1064989545.db2.gz CQKBQPYDBZMUHS-INIZCTEOSA-N 1 0 479.576 4.540 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360107119 1064989610 /nfs/dbraw/zinc/98/96/10/1064989610.db2.gz CQKBQPYDBZMUHS-MRXNPFEDSA-N 1 0 479.576 4.540 20 0 JJADRO C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC001435783981 1064990281 /nfs/dbraw/zinc/99/02/81/1064990281.db2.gz SFTJBEGKLVAJMB-HNNXBMFYSA-N 1 0 450.808 4.672 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360111147 1064992320 /nfs/dbraw/zinc/99/23/20/1064992320.db2.gz ZSBPSTRCBNGBBL-VQTJNVASSA-N 1 0 490.718 4.992 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCCCCCC1 ZINC001360112471 1064994232 /nfs/dbraw/zinc/99/42/32/1064994232.db2.gz FBVFFCMHRXSICW-UHFFFAOYSA-N 1 0 464.452 4.730 20 0 JJADRO CC(C)[N@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001360113463 1064995725 /nfs/dbraw/zinc/99/57/25/1064995725.db2.gz CDEDGPXQGMGWOG-UHFFFAOYSA-N 1 0 488.105 4.677 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001360113931 1064996263 /nfs/dbraw/zinc/99/62/63/1064996263.db2.gz SZUVEISDICCRNG-XPWALMASSA-N 1 0 490.092 4.768 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC001360113902 1064996347 /nfs/dbraw/zinc/99/63/47/1064996347.db2.gz SCYXQQDKGQHFHX-ISJGIBHGSA-N 1 0 483.701 4.723 20 0 JJADRO CC(C)[N@H+](C)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cc(F)ccc1Br ZINC001360113811 1064996390 /nfs/dbraw/zinc/99/63/90/1064996390.db2.gz PLDIJPMZLRIATG-UHFFFAOYSA-N 1 0 490.425 4.927 20 0 JJADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360115655 1064998422 /nfs/dbraw/zinc/99/84/22/1064998422.db2.gz FJIYTDRMQNXSJF-XMMPIXPASA-N 1 0 464.633 4.938 20 0 JJADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360116813 1065002307 /nfs/dbraw/zinc/00/23/07/1065002307.db2.gz RIRAKZJLDLIJLZ-KNQAVFIVSA-N 1 0 457.619 4.701 20 0 JJADRO CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435810418 1065004243 /nfs/dbraw/zinc/00/42/43/1065004243.db2.gz ZASLCYDWXDVINR-JOCHJYFZSA-N 1 0 456.512 4.936 20 0 JJADRO CC(C)N(Cc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001360118864 1065005545 /nfs/dbraw/zinc/00/55/45/1065005545.db2.gz RLRLZHJAMGJTGL-UHFFFAOYSA-N 1 0 475.996 4.856 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CC(F)C1)C(C)C ZINC001360123736 1065015229 /nfs/dbraw/zinc/01/52/29/1065015229.db2.gz MDUZSMVCIDUZFW-UHFFFAOYSA-N 1 0 483.474 4.739 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360123791 1065015259 /nfs/dbraw/zinc/01/52/59/1065015259.db2.gz NOBHOGCZUWTDMT-DEOSSOPVSA-N 1 0 489.686 4.910 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360123942 1065015842 /nfs/dbraw/zinc/01/58/42/1065015842.db2.gz QCSXEVOJINBTQT-QFIPXVFZSA-N 1 0 452.672 4.861 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C(C)C ZINC001360123964 1065015874 /nfs/dbraw/zinc/01/58/74/1065015874.db2.gz QZWNXKGEXRLRGA-UHFFFAOYSA-N 1 0 489.108 4.802 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1)C(C)C ZINC001360125405 1065017643 /nfs/dbraw/zinc/01/76/43/1065017643.db2.gz JPRJPHPQFRWTJM-UHFFFAOYSA-N 1 0 489.668 4.704 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)C(C)C ZINC001360125805 1065018711 /nfs/dbraw/zinc/01/87/11/1065018711.db2.gz WDZKXICWHCLGHK-RPWUZVMVSA-N 1 0 491.627 4.885 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CCC(c2ccccc2CO)CC1)C(C)C ZINC001360125753 1065018752 /nfs/dbraw/zinc/01/87/52/1065018752.db2.gz UZRVNGBYZOTCFS-UHFFFAOYSA-N 1 0 476.669 4.725 20 0 JJADRO CC(C)[NH+](CCCn1c(C2CCC2)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001360125846 1065018905 /nfs/dbraw/zinc/01/89/05/1065018905.db2.gz WYEULURGPDAZSH-XZOQPEGZSA-N 1 0 488.721 4.794 20 0 JJADRO CC(C)[NH+](CCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)CC1)C(C)C ZINC001360126030 1065019393 /nfs/dbraw/zinc/01/93/93/1065019393.db2.gz DSQNYAFABBTRNI-UHFFFAOYSA-N 1 0 458.670 4.841 20 0 JJADRO CC(C)[NH+](CCCn1c(N2CCOC(C)(C)C2)nnc1C1(c2ccccc2)CCC1)C(C)C ZINC001360126170 1065019729 /nfs/dbraw/zinc/01/97/29/1065019729.db2.gz JJOYQNWCPKDIJM-UHFFFAOYSA-N 1 0 453.675 4.872 20 0 JJADRO CC(C)[NH+](CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)C(C)C ZINC001360126324 1065019859 /nfs/dbraw/zinc/01/98/59/1065019859.db2.gz NRAOAIOTXOYHQU-KEVCNVLYSA-N 1 0 490.092 4.617 20 0 JJADRO CC(C)[NH+](CCCn1c(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)C(C)C ZINC001360126211 1065019931 /nfs/dbraw/zinc/01/99/31/1065019931.db2.gz KTBPRHJSWMIMLM-NRFANRHFSA-N 1 0 478.726 4.826 20 0 JJADRO CC(C)[NH+](CCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccc(F)c2)CC1)C(C)C ZINC001360126495 1065020211 /nfs/dbraw/zinc/02/02/11/1065020211.db2.gz SRCSGRFZMJJGHD-UHFFFAOYSA-N 1 0 472.697 4.837 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)C(C)C ZINC001360126439 1065020300 /nfs/dbraw/zinc/02/03/00/1065020300.db2.gz QTKSYUCJIGEXKP-QHCPKHFHSA-N 1 0 456.679 4.557 20 0 JJADRO CC(C)[NH+](CCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2cnn(C)c2)CC1)C(C)C ZINC001360126445 1065020318 /nfs/dbraw/zinc/02/03/18/1065020318.db2.gz RCDACFDVPCAJSK-UHFFFAOYSA-N 1 0 499.654 4.774 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(Br)c1)C(C)C ZINC001360128266 1065022052 /nfs/dbraw/zinc/02/20/52/1065022052.db2.gz CLEGZQSFEIZHLB-UHFFFAOYSA-N 1 0 459.436 4.791 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1)C(C)C ZINC001360128120 1065022190 /nfs/dbraw/zinc/02/21/90/1065022190.db2.gz AMFYFUVTYNSPNJ-OAQYLSRUSA-N 1 0 479.616 4.917 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1)C(C)C ZINC001360128483 1065022665 /nfs/dbraw/zinc/02/26/65/1065022665.db2.gz FWYBMTMARSZVLO-UHFFFAOYSA-N 1 0 495.647 4.544 20 0 JJADRO C[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435851094 1065023166 /nfs/dbraw/zinc/02/31/66/1065023166.db2.gz FRVTWKFCYZTPMC-CABCVRRESA-N 1 0 452.382 4.943 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1)C(C)C ZINC001360128702 1065023003 /nfs/dbraw/zinc/02/30/03/1065023003.db2.gz MEQSLVUBJYJSSX-JOCHJYFZSA-N 1 0 460.066 4.849 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CCCC2)C1)C(C)C ZINC001360128763 1065023762 /nfs/dbraw/zinc/02/37/62/1065023762.db2.gz NDXNCKXUEUXOOS-UHFFFAOYSA-N 1 0 477.495 4.935 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)C(C)C ZINC001360129471 1065025398 /nfs/dbraw/zinc/02/53/98/1065025398.db2.gz RDTAVUWOJWUTGG-JOCHJYFZSA-N 1 0 457.022 4.623 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCOCC1)C(C)C ZINC001360129363 1065025410 /nfs/dbraw/zinc/02/54/10/1065025410.db2.gz VKCVGJDBDDEJIE-UHFFFAOYSA-N 1 0 484.870 4.707 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N1CCN(Cc2ccsc2)CC1)C(C)C ZINC001360129875 1065025874 /nfs/dbraw/zinc/02/58/74/1065025874.db2.gz XEQQJLGNZCHDPU-UHFFFAOYSA-N 1 0 470.662 4.587 20 0 JJADRO Cc1c(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)nnn1-c1cccc(C)c1 ZINC001435854672 1065026251 /nfs/dbraw/zinc/02/62/51/1065026251.db2.gz HEMVCMXORFDOGT-QHCPKHFHSA-N 1 0 453.537 4.508 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1)C(C)C ZINC001360131513 1065026579 /nfs/dbraw/zinc/02/65/79/1065026579.db2.gz ASRALJUKPNXRPE-NFBKMPQASA-N 1 0 476.065 4.522 20 0 JJADRO CC(C)(C)C(=O)Nc1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)cn1 ZINC001435855734 1065027106 /nfs/dbraw/zinc/02/71/06/1065027106.db2.gz ODKAIWHNMVKJRV-NRFANRHFSA-N 1 0 458.553 4.690 20 0 JJADRO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1 ZINC001435855806 1065027141 /nfs/dbraw/zinc/02/71/41/1065027141.db2.gz PHXICKXWGYHDMV-WXVUKLJWSA-N 1 0 458.549 4.817 20 0 JJADRO CC(C)([C@@H](NC(=O)c1ccc(OC2CCOCC2)cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001435855720 1065027218 /nfs/dbraw/zinc/02/72/18/1065027218.db2.gz NSKLMIZNVDYUPL-DEOSSOPVSA-N 1 0 458.549 4.868 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)C(C)C ZINC001360132252 1065027270 /nfs/dbraw/zinc/02/72/70/1065027270.db2.gz HNLJEJQKCXPMPS-FPOVZHCZSA-N 1 0 496.469 4.810 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)C(C)C ZINC001360132253 1065027322 /nfs/dbraw/zinc/02/73/22/1065027322.db2.gz HNLJEJQKCXPMPS-PZJWPPBQSA-N 1 0 496.469 4.810 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001360132878 1065027796 /nfs/dbraw/zinc/02/77/96/1065027796.db2.gz YKLXGWBKLHAMJC-RPWUZVMVSA-N 1 0 457.659 4.939 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCC1)C(C)C ZINC001360133456 1065028790 /nfs/dbraw/zinc/02/87/90/1065028790.db2.gz SBBVWQNGGMHXLO-UHFFFAOYSA-N 1 0 462.683 4.500 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2CCCO2)CC1)C(C)C ZINC001360133771 1065029106 /nfs/dbraw/zinc/02/91/06/1065029106.db2.gz ZZUVLYVMUURBCL-XMMPIXPASA-N 1 0 475.628 4.661 20 0 JJADRO CC(C)[NH+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C ZINC001360133998 1065029629 /nfs/dbraw/zinc/02/96/29/1065029629.db2.gz BDEZOMAHWKHSFH-IBGZPJMESA-N 1 0 464.054 4.633 20 0 JJADRO CC(C)[NH+](CCn1c(Cn2ccc3ccccc32)nnc1N1CC(C)(C)OC(C)(C)C1)C(C)C ZINC001360134032 1065029976 /nfs/dbraw/zinc/02/99/76/1065029976.db2.gz CCKFJIGFEXTZPV-UHFFFAOYSA-N 1 0 466.674 4.794 20 0 JJADRO CC(C)[NH+](CCn1c(CCc2ccccc2)nnc1N1CCC(C(F)(F)F)CC1)C(C)C ZINC001360134375 1065030506 /nfs/dbraw/zinc/03/05/06/1065030506.db2.gz KKJJXDUAVROUPY-UHFFFAOYSA-N 1 0 451.581 4.961 20 0 JJADRO CC(C)[NH+](CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C(C)C ZINC001360135001 1065031133 /nfs/dbraw/zinc/03/11/33/1065031133.db2.gz QLZVLIWYTUAGDV-OAQYLSRUSA-N 1 0 475.653 4.899 20 0 JJADRO CC(C)[NH+](CCn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1)C(C)C ZINC001360135243 1065031636 /nfs/dbraw/zinc/03/16/36/1065031636.db2.gz TUYKZKSSSZLJNX-UHFFFAOYSA-N 1 0 496.103 4.557 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001360137499 1065033230 /nfs/dbraw/zinc/03/32/30/1065033230.db2.gz YEEBLKDWWKVHKE-HXUWFJFHSA-N 1 0 474.093 4.630 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001360137734 1065033536 /nfs/dbraw/zinc/03/35/36/1065033536.db2.gz WDHDPINSRDGGNM-SFHVURJKSA-N 1 0 485.982 4.613 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCC2CCOCC2)C1 ZINC001360138475 1065034048 /nfs/dbraw/zinc/03/40/48/1065034048.db2.gz GUQMGQXZWDVEFK-OAQYLSRUSA-N 1 0 491.627 4.920 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001360138186 1065034268 /nfs/dbraw/zinc/03/42/68/1065034268.db2.gz BSCFYYMCQVHLMJ-GMAHTHKFSA-N 1 0 482.673 4.559 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CCCCCO)C1 ZINC001360138689 1065034638 /nfs/dbraw/zinc/03/46/38/1065034638.db2.gz JHOFZSJEEUCORU-SFHVURJKSA-N 1 0 496.469 4.566 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CC=CCC2)C1 ZINC001360139151 1065035712 /nfs/dbraw/zinc/03/57/12/1065035712.db2.gz NWJJQLHZDFBAHZ-XZOQPEGZSA-N 1 0 499.103 4.774 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001360139312 1065035763 /nfs/dbraw/zinc/03/57/63/1065035763.db2.gz PXFOFMFNJYCFDV-MOPGFXCFSA-N 1 0 499.025 4.792 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CCOc2ccccc2Cl)C1 ZINC001360139625 1065036356 /nfs/dbraw/zinc/03/63/56/1065036356.db2.gz RYFRTOGKHRDFIH-LJQANCHMSA-N 1 0 457.022 4.562 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(N3CCN(c4ncc(Cl)cc4Cl)CC3)nnc2C(C)(C)C)C1 ZINC001360141059 1065039679 /nfs/dbraw/zinc/03/96/79/1065039679.db2.gz LQHQAIAOOVBNBE-SFHVURJKSA-N 1 0 494.515 4.724 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)C1 ZINC001360141909 1065040776 /nfs/dbraw/zinc/04/07/76/1065040776.db2.gz STZZKTHOXIKTNV-CTNGQTDRSA-N 1 0 468.596 4.860 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001360141969 1065041935 /nfs/dbraw/zinc/04/19/35/1065041935.db2.gz UDIDEKLSQNKZIF-XXBNENTESA-N 1 0 499.647 4.581 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOCC(F)F)CC1 ZINC001360143270 1065043667 /nfs/dbraw/zinc/04/36/67/1065043667.db2.gz CRPLJMAFQLOTDM-UHFFFAOYSA-N 1 0 463.617 4.835 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001360143580 1065044549 /nfs/dbraw/zinc/04/45/49/1065044549.db2.gz ISZJHWNXHOWMKH-UHFFFAOYSA-N 1 0 475.424 4.646 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCC(C)(F)F)CC1 ZINC001360143822 1065044575 /nfs/dbraw/zinc/04/45/75/1065044575.db2.gz NNEBKBDTXCLVHL-UHFFFAOYSA-N 1 0 462.408 4.735 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCC2(F)CCC2)CC1 ZINC001360144044 1065045007 /nfs/dbraw/zinc/04/50/07/1065045007.db2.gz RZYMPUAXVQQMMV-UHFFFAOYSA-N 1 0 464.427 4.910 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001360144433 1065045854 /nfs/dbraw/zinc/04/58/54/1065045854.db2.gz INEIHCQWHYMBKU-UHFFFAOYSA-N 1 0 491.640 4.656 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCC(=O)N(C)C)CC1 ZINC001360144293 1065045912 /nfs/dbraw/zinc/04/59/12/1065045912.db2.gz YMWOLONLLPPBKK-UHFFFAOYSA-N 1 0 489.089 4.602 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 ZINC001360144275 1065046278 /nfs/dbraw/zinc/04/62/78/1065046278.db2.gz DPLLACZOGNTNCV-LJQANCHMSA-N 1 0 450.400 4.549 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCCS2)CC1 ZINC001360144599 1065047018 /nfs/dbraw/zinc/04/70/18/1065047018.db2.gz PGOIROVEXSVPAQ-GOSISDBHSA-N 1 0 478.504 4.914 20 0 JJADRO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001435890738 1065047720 /nfs/dbraw/zinc/04/77/20/1065047720.db2.gz RZQCAHDSGFLKOP-MUUNZHRXSA-N 1 0 457.618 4.734 20 0 JJADRO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cc2)cc1 ZINC001435890766 1065048012 /nfs/dbraw/zinc/04/80/12/1065048012.db2.gz SFJBDWZVPPHHOC-MHZLTWQESA-N 1 0 458.558 4.702 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](F)c2ccc(Br)cc2)CC1 ZINC001360145895 1065048102 /nfs/dbraw/zinc/04/81/02/1065048102.db2.gz AIUIGKRUDCIMMB-CTNGQTDRSA-N 1 0 494.453 4.566 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CCC2)CC1 ZINC001360146308 1065048376 /nfs/dbraw/zinc/04/83/76/1065048376.db2.gz IPOAUYKDCXZVLQ-UHFFFAOYSA-N 1 0 474.694 4.503 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001360146724 1065048690 /nfs/dbraw/zinc/04/86/90/1065048690.db2.gz UKFAUMMBHNYCBF-FQEVSTJZSA-N 1 0 483.991 4.743 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCSC2)CC1 ZINC001360147553 1065050187 /nfs/dbraw/zinc/05/01/87/1065050187.db2.gz ZOUSGQDCDZNJJM-OAQYLSRUSA-N 1 0 471.715 4.828 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001360149188 1065051582 /nfs/dbraw/zinc/05/15/82/1065051582.db2.gz FGFWPMSNOJQELO-UHFFFAOYSA-N 1 0 482.629 4.527 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCSC2)CC1 ZINC001360149351 1065052225 /nfs/dbraw/zinc/05/22/25/1065052225.db2.gz LJXMVIFFZGPOEI-MRXNPFEDSA-N 1 0 482.467 4.520 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCCS2)CC1 ZINC001360149284 1065052509 /nfs/dbraw/zinc/05/25/09/1065052509.db2.gz IWKHLRIXNHXHPE-LJQANCHMSA-N 1 0 464.477 4.524 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[C@H]2CCCCO2)CC1 ZINC001360149254 1065052583 /nfs/dbraw/zinc/05/25/83/1065052583.db2.gz HQLVQRYDRYQYFW-GOSISDBHSA-N 1 0 496.881 4.851 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCOC(F)F)CC1 ZINC001360149660 1065053184 /nfs/dbraw/zinc/05/31/84/1065053184.db2.gz YBIZFZVNSJNBOW-UHFFFAOYSA-N 1 0 469.989 4.973 20 0 JJADRO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360150478 1065054549 /nfs/dbraw/zinc/05/45/49/1065054549.db2.gz DBJODTXBMIFPBT-PZJWPPBQSA-N 1 0 451.474 4.595 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)[C@@H](C)C1 ZINC001360150787 1065055201 /nfs/dbraw/zinc/05/52/01/1065055201.db2.gz LRFNWPYOXFLICR-UWJYYQICSA-N 1 0 452.039 4.582 20 0 JJADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(CC(C)(C)C)n3CCC3=CCCCC3)CC2)CC1 ZINC001360156314 1065057791 /nfs/dbraw/zinc/05/77/91/1065057791.db2.gz XFQPFJYGXQFNJJ-UHFFFAOYSA-N 1 0 456.723 4.752 20 0 JJADRO CC(C)n1nc(-c2nnc(N(C)CC(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001360157214 1065058972 /nfs/dbraw/zinc/05/89/72/1065058972.db2.gz VYQOQXHNTRRION-UHFFFAOYSA-N 1 0 493.700 4.983 20 0 JJADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001360176394 1065066545 /nfs/dbraw/zinc/06/65/45/1065066545.db2.gz QETPIOBOVFPMBY-UHFFFAOYSA-N 1 0 459.377 4.639 20 0 JJADRO CC(C)NC(=O)c1nnc(N(Cc2ccc(F)cc2)C(C)C)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001360181577 1065068735 /nfs/dbraw/zinc/06/87/35/1065068735.db2.gz KAFMHPSVGHWXBQ-DEOSSOPVSA-N 1 0 484.664 4.768 20 0 JJADRO CC(C)NC(=O)c1nnc(N(Cc2ccco2)C(C)C)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001360183159 1065070155 /nfs/dbraw/zinc/07/01/55/1065070155.db2.gz PQHKMQAIRRDAGK-XMMPIXPASA-N 1 0 492.668 4.727 20 0 JJADRO C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435950505 1065078018 /nfs/dbraw/zinc/07/80/18/1065078018.db2.gz XVLXWOAXNRLDDQ-FDDCHVKYSA-N 1 0 459.993 4.910 20 0 JJADRO C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435950509 1065078130 /nfs/dbraw/zinc/07/81/30/1065078130.db2.gz XVLXWOAXNRLDDQ-WZONZLPQSA-N 1 0 459.993 4.910 20 0 JJADRO CC(C)c1cccc(-c2ccc(C(=O)NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)o2)c1 ZINC001360210762 1065081479 /nfs/dbraw/zinc/08/14/79/1065081479.db2.gz ONGLLRWLKQPITP-XMMPIXPASA-N 1 0 459.590 4.697 20 0 JJADRO C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)C1 ZINC001360216127 1065084257 /nfs/dbraw/zinc/08/42/57/1065084257.db2.gz BDFWCVUMDREVGT-HYBUGGRVSA-N 1 0 458.647 4.997 20 0 JJADRO CN(c1ccccc1)c1ccccc1C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC001360216542 1065084347 /nfs/dbraw/zinc/08/43/47/1065084347.db2.gz JUWMICFXFFAAFS-UHFFFAOYSA-N 1 0 457.578 4.923 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCCCc1ccccc1 ZINC001360221715 1065086595 /nfs/dbraw/zinc/08/65/95/1065086595.db2.gz CKCATVCRTJZJQW-VWLOTQADSA-N 1 0 480.701 4.532 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360222552 1065086963 /nfs/dbraw/zinc/08/69/63/1065086963.db2.gz UGFSMKVBSLVYDK-DOIPELPJSA-N 1 0 498.638 4.801 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360222551 1065087112 /nfs/dbraw/zinc/08/71/12/1065087112.db2.gz UGFSMKVBSLVYDK-BQJUDKOJSA-N 1 0 498.638 4.801 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360222259 1065087146 /nfs/dbraw/zinc/08/71/46/1065087146.db2.gz NFYQIJXOVGIMLA-YADHBBJMSA-N 1 0 498.691 4.624 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360222554 1065087249 /nfs/dbraw/zinc/08/72/49/1065087249.db2.gz UGFSMKVBSLVYDK-WOZUAGRISA-N 1 0 498.638 4.801 20 0 JJADRO C[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001360233703 1065093110 /nfs/dbraw/zinc/09/31/10/1065093110.db2.gz OXQYDBMMAPBPPF-GOSISDBHSA-N 1 0 453.583 4.709 20 0 JJADRO Cc1c(Br)cccc1CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001360256898 1065102915 /nfs/dbraw/zinc/10/29/15/1065102915.db2.gz GUJOZPKJFIUGKJ-UHFFFAOYSA-N 1 0 458.400 4.753 20 0 JJADRO CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001436017570 1065115887 /nfs/dbraw/zinc/11/58/87/1065115887.db2.gz LXOKBHMUTNGHAC-QHCPKHFHSA-N 1 0 451.611 4.993 20 0 JJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001360283167 1065123593 /nfs/dbraw/zinc/12/35/93/1065123593.db2.gz IYYJZAUAUAAKKY-FQEVSTJZSA-N 1 0 457.977 4.524 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC001360305143 1065139220 /nfs/dbraw/zinc/13/92/20/1065139220.db2.gz XADIWNLHYNJSQB-UHFFFAOYSA-N 1 0 462.642 4.565 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001360305012 1065139307 /nfs/dbraw/zinc/13/93/07/1065139307.db2.gz HMOAUYLBSZTFRK-QZTJIDSGSA-N 1 0 490.490 4.878 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCOC(C)C)CC1 ZINC001360305070 1065139400 /nfs/dbraw/zinc/13/94/00/1065139400.db2.gz IIECPQKUKADQDP-UHFFFAOYSA-N 1 0 484.870 4.753 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001360305455 1065139955 /nfs/dbraw/zinc/13/99/55/1065139955.db2.gz QOWGCEWFYDBKCH-UHFFFAOYSA-N 1 0 461.658 4.632 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001360305382 1065139997 /nfs/dbraw/zinc/13/99/97/1065139997.db2.gz OIDIGBAREWAVRD-UHFFFAOYSA-N 1 0 488.583 4.847 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001360305543 1065140780 /nfs/dbraw/zinc/14/07/80/1065140780.db2.gz UUAAYMGFLLTELL-WIYYLYMNSA-N 1 0 461.054 4.556 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001360305540 1065140789 /nfs/dbraw/zinc/14/07/89/1065140789.db2.gz UUAAYMGFLLTELL-GHTZIAJQSA-N 1 0 461.054 4.556 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3F)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001360306740 1065141980 /nfs/dbraw/zinc/14/19/80/1065141980.db2.gz JATSKMXPWKXGOJ-UHFFFAOYSA-N 1 0 498.647 4.618 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccn3C)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001360307436 1065142601 /nfs/dbraw/zinc/14/26/01/1065142601.db2.gz WITHKRNKFJOLQA-UHFFFAOYSA-N 1 0 460.548 4.512 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001360307091 1065142724 /nfs/dbraw/zinc/14/27/24/1065142724.db2.gz PEPMZJBZPIMSAA-UHFFFAOYSA-N 1 0 464.948 4.543 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001360309515 1065145301 /nfs/dbraw/zinc/14/53/01/1065145301.db2.gz GLFOLNRYQDMPJW-QHCPKHFHSA-N 1 0 480.632 4.798 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CC3CC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001360309580 1065145919 /nfs/dbraw/zinc/14/59/19/1065145919.db2.gz HIWFXMWOFNRFMI-OAQYLSRUSA-N 1 0 453.528 4.819 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001360310059 1065146502 /nfs/dbraw/zinc/14/65/02/1065146502.db2.gz XMIKVAXOFIUVLN-GJZUVCINSA-N 1 0 483.701 4.708 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)c3ccccc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001360320744 1065157135 /nfs/dbraw/zinc/15/71/35/1065157135.db2.gz DXKSUYZKHYMDDB-PRVBGKCFSA-N 1 0 483.701 4.679 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C3CCCCC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCOC1 ZINC001360320870 1065157905 /nfs/dbraw/zinc/15/79/05/1065157905.db2.gz GZCILCYOSYUBEK-ATIYNZHBSA-N 1 0 461.695 4.742 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2CC(C)(C)C[NH+]2CCCC2)CCOC1 ZINC001360324757 1065164919 /nfs/dbraw/zinc/16/49/19/1065164919.db2.gz RQYFOPJVEGQRKE-AREMUKBSSA-N 1 0 490.092 4.731 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CC[N@H+](C)C2CCCC2)CCOC1 ZINC001360325010 1065165743 /nfs/dbraw/zinc/16/57/43/1065165743.db2.gz WHCUSXQLWURVBS-VWLOTQADSA-N 1 0 494.055 4.622 20 0 JJADRO CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001360325507 1065166919 /nfs/dbraw/zinc/16/69/19/1065166919.db2.gz HFGIJHHEIVTWBS-CAKYRVLISA-N 1 0 473.706 4.622 20 0 JJADRO O=C(Oc1cc(Br)cc(F)c1F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001436080485 1065167080 /nfs/dbraw/zinc/16/70/80/1065167080.db2.gz SULVFOQVNOCELS-RBUKOAKNSA-N 1 0 473.317 4.944 20 0 JJADRO Cc1cccc(CNC(=O)c2ccc(C(=O)NC[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC001436095039 1065176256 /nfs/dbraw/zinc/17/62/56/1065176256.db2.gz HOANTFAYPQGGSP-GDLZYMKVSA-N 1 0 455.602 4.567 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCOC1 ZINC001360332637 1065177735 /nfs/dbraw/zinc/17/77/35/1065177735.db2.gz BDBBJMBPNZJMEB-QSEAXJEQSA-N 1 0 475.722 4.846 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C2CC(C(C)(C)C)C2)CCOC1 ZINC001360338770 1065187570 /nfs/dbraw/zinc/18/75/70/1065187570.db2.gz KHPXMZZCJROGBJ-IJQWPOMLSA-N 1 0 475.722 4.873 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2cccc(Cl)c2)CCOC1 ZINC001360339837 1065188173 /nfs/dbraw/zinc/18/81/73/1065188173.db2.gz XWKNVABIXYROIN-SANMLTNESA-N 1 0 490.092 4.577 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N3CCC4(CCCC4)C3)n2CCC[NH+](C(C)C)C(C)C)CCOC1 ZINC001360340288 1065188991 /nfs/dbraw/zinc/18/89/91/1065188991.db2.gz CAPDHCLTSZJPFW-SANMLTNESA-N 1 0 461.695 4.598 20 0 JJADRO CC(C)Oc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)cn1 ZINC001360354459 1065203350 /nfs/dbraw/zinc/20/33/50/1065203350.db2.gz PPFBTPVEWQJLJK-UHFFFAOYSA-N 1 0 469.033 4.750 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2oc3c(cc(Br)cc3C)c2C)[C@H](C)C1 ZINC001360358376 1065210458 /nfs/dbraw/zinc/21/04/58/1065210458.db2.gz DVNIQGXFULMPAZ-BEFAXECRSA-N 1 0 451.405 4.679 20 0 JJADRO CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCCCC3)CC2)cn1 ZINC001360358180 1065210501 /nfs/dbraw/zinc/21/05/01/1065210501.db2.gz ZNZANNWNIQEJJI-UHFFFAOYSA-N 1 0 454.663 4.552 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2oc3c(cc(Br)cc3C)c2C)[C@H](C)C1 ZINC001360358377 1065210551 /nfs/dbraw/zinc/21/05/51/1065210551.db2.gz DVNIQGXFULMPAZ-DNVCBOLYSA-N 1 0 451.405 4.679 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001360359982 1065212519 /nfs/dbraw/zinc/21/25/19/1065212519.db2.gz NGCJMQIFOULYMP-HSZRJFAPSA-N 1 0 455.647 4.818 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001360359999 1065212533 /nfs/dbraw/zinc/21/25/33/1065212533.db2.gz NPPNITHOMYXUAR-FGZHOGPDSA-N 1 0 492.668 4.652 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001360360003 1065212726 /nfs/dbraw/zinc/21/27/26/1065212726.db2.gz NPYXDIQAISQFEI-XMMPIXPASA-N 1 0 462.642 4.884 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360363922 1065220531 /nfs/dbraw/zinc/22/05/31/1065220531.db2.gz GJDLLPPNQQIIML-UHFFFAOYSA-N 1 0 461.054 4.652 20 0 JJADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)cc1 ZINC001360365791 1065223770 /nfs/dbraw/zinc/22/37/70/1065223770.db2.gz ABZZYNXGAYRUHS-UHFFFAOYSA-N 1 0 456.320 4.550 20 0 JJADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnc(-c2ccccc2Cl)s1 ZINC001360366284 1065224287 /nfs/dbraw/zinc/22/42/87/1065224287.db2.gz RDBWISAOVRGOIY-UHFFFAOYSA-N 1 0 454.983 4.541 20 0 JJADRO CC(C)OC1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360366452 1065225099 /nfs/dbraw/zinc/22/50/99/1065225099.db2.gz CBXOGRPKOPTMRJ-PSWAGMNNSA-N 1 0 497.728 4.735 20 0 JJADRO COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3C[NH+](C)C)CC2)c2ccccc12 ZINC001360368773 1065228343 /nfs/dbraw/zinc/22/83/43/1065228343.db2.gz NETPQCRDXCAXQY-UHFFFAOYSA-N 1 0 459.590 4.709 20 0 JJADRO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](c2ccco2)[NH+](C)C)CCO1 ZINC001360371025 1065230551 /nfs/dbraw/zinc/23/05/51/1065230551.db2.gz WVCVPFWWLVFRSK-BJKOFHAPSA-N 1 0 495.668 4.769 20 0 JJADRO CC(C)OCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360376746 1065236205 /nfs/dbraw/zinc/23/62/05/1065236205.db2.gz NDLMGCPQFABKBH-HXUWFJFHSA-N 1 0 461.626 4.683 20 0 JJADRO CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001360376954 1065237605 /nfs/dbraw/zinc/23/76/05/1065237605.db2.gz SNQRYRSWYYPFQK-LJQANCHMSA-N 1 0 493.494 4.553 20 0 JJADRO CC(C)OCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001360379290 1065239745 /nfs/dbraw/zinc/23/97/45/1065239745.db2.gz RRCDBBWPNSTBNK-FQEVSTJZSA-N 1 0 490.490 4.977 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2oc3ccccc3c2Br)c1 ZINC001436197131 1065244692 /nfs/dbraw/zinc/24/46/92/1065244692.db2.gz VSKLZSFVFNNTEC-UHFFFAOYSA-N 1 0 459.340 4.946 20 0 JJADRO Cc1nc(CCC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)oc1-c1ccc(Br)cc1 ZINC001360383949 1065246906 /nfs/dbraw/zinc/24/69/06/1065246906.db2.gz IVRUMPJOQXXTLF-UHFFFAOYSA-N 1 0 452.312 4.565 20 0 JJADRO O=C(Nc1nc(-c2ccc(Br)cn2)cs1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001436205740 1065250380 /nfs/dbraw/zinc/25/03/80/1065250380.db2.gz OJAJWVCGYIQWHX-MRXNPFEDSA-N 1 0 457.397 4.818 20 0 JJADRO CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001360387121 1065251889 /nfs/dbraw/zinc/25/18/89/1065251889.db2.gz AEZFXPNEFPEIAT-RPWUZVMVSA-N 1 0 453.652 4.749 20 0 JJADRO CC(C)OCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001360406800 1065269332 /nfs/dbraw/zinc/26/93/32/1065269332.db2.gz XDPXQYPPMDDLTC-URXFXBBRSA-N 1 0 467.683 4.845 20 0 JJADRO CSc1cccc(N(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)C2CC[NH+](C)CC2)c1 ZINC001360409030 1065272009 /nfs/dbraw/zinc/27/20/09/1065272009.db2.gz WRQXKBMKEFCHFR-UHFFFAOYSA-N 1 0 450.608 4.507 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCCS2)CC1 ZINC001360409452 1065272549 /nfs/dbraw/zinc/27/25/49/1065272549.db2.gz IDYRADBBVBNSHW-IBGZPJMESA-N 1 0 482.069 4.570 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001360409617 1065273058 /nfs/dbraw/zinc/27/30/58/1065273058.db2.gz NYOCVXAQLUEGJP-URXFXBBRSA-N 1 0 490.092 4.597 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001360409475 1065273149 /nfs/dbraw/zinc/27/31/49/1065273149.db2.gz IUQJJQKJBUNUME-QPPBQGQZSA-N 1 0 490.092 4.741 20 0 JJADRO COc1c(Br)cccc1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC001436254305 1065275568 /nfs/dbraw/zinc/27/55/68/1065275568.db2.gz DRHULGDRYATJGE-UHFFFAOYSA-N 1 0 453.764 4.836 20 0 JJADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001436256028 1065276780 /nfs/dbraw/zinc/27/67/80/1065276780.db2.gz XYOZZQFSULASGS-UHFFFAOYSA-N 1 0 456.892 4.935 20 0 JJADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(Cl)cc(Cl)n1 ZINC001436259703 1065278767 /nfs/dbraw/zinc/27/87/67/1065278767.db2.gz WSBOWIMOWCHWGZ-LLVKDONJSA-N 1 0 458.187 4.544 20 0 JJADRO CC(C)SCCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360417901 1065282682 /nfs/dbraw/zinc/28/26/82/1065282682.db2.gz IXVKPUGWXLXOKN-HSZRJFAPSA-N 1 0 450.656 4.583 20 0 JJADRO CC(C)SCCn1c(Cc2ccccn2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360421933 1065287880 /nfs/dbraw/zinc/28/78/80/1065287880.db2.gz QBWHRVYVUSRRKZ-QFIPXVFZSA-N 1 0 470.731 4.886 20 0 JJADRO CC(C)SCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001360423553 1065291540 /nfs/dbraw/zinc/29/15/40/1065291540.db2.gz WOTQHYPODXVRIZ-IFMALSPDSA-N 1 0 471.715 4.969 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 ZINC001436317236 1065295820 /nfs/dbraw/zinc/29/58/20/1065295820.db2.gz RLVZNHBQHPBDPN-UHFFFAOYSA-N 1 0 451.954 4.953 20 0 JJADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436336457 1065297433 /nfs/dbraw/zinc/29/74/33/1065297433.db2.gz OXPFWXFTGVVJNP-OFNKIYASSA-N 1 0 457.659 4.639 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436337816 1065297480 /nfs/dbraw/zinc/29/74/80/1065297480.db2.gz XEZFIEVJGFSUSK-NFBKMPQASA-N 1 0 457.659 4.781 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360428125 1065300077 /nfs/dbraw/zinc/30/00/77/1065300077.db2.gz CSBMOCUTVHSFDL-QRWLVFNGSA-N 1 0 471.581 4.519 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1CC1([NH+](C)C)CCCCC1 ZINC001360428893 1065302095 /nfs/dbraw/zinc/30/20/95/1065302095.db2.gz POCYSTHSEXNXSN-RBUKOAKNSA-N 1 0 461.601 4.912 20 0 JJADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCCOC2)n1CC1([NH+](C)C)CCCCC1 ZINC001360428892 1065302156 /nfs/dbraw/zinc/30/21/56/1065302156.db2.gz POCYSTHSEXNXSN-OALUTQOASA-N 1 0 461.601 4.912 20 0 JJADRO Cc1c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001436364605 1065302720 /nfs/dbraw/zinc/30/27/20/1065302720.db2.gz GBIQBGOVHHQWIP-UHFFFAOYSA-N 1 0 456.512 4.984 20 0 JJADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360433429 1065311692 /nfs/dbraw/zinc/31/16/92/1065311692.db2.gz RDKSKZNPHKDPGH-LMNJBCLMSA-N 1 0 457.619 4.873 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001436432392 1065317985 /nfs/dbraw/zinc/31/79/85/1065317985.db2.gz SCNTUVRAVXKLTR-UPVQGACJSA-N 1 0 459.675 4.824 20 0 JJADRO Cc1c(C(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)nnn1-c1ccc(C)cc1 ZINC001436432823 1065318211 /nfs/dbraw/zinc/31/82/11/1065318211.db2.gz TVTHMPYVISXFNU-SANMLTNESA-N 1 0 459.638 4.689 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001436432395 1065318262 /nfs/dbraw/zinc/31/82/62/1065318262.db2.gz SCNTUVRAVXKLTR-VWNXMTODSA-N 1 0 459.675 4.824 20 0 JJADRO CC(=O)N[C@H](CC(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C)c1cccs1 ZINC001436435749 1065319004 /nfs/dbraw/zinc/31/90/04/1065319004.db2.gz YYEIWUPWKHWJRD-DNQXCXABSA-N 1 0 455.668 4.507 20 0 JJADRO CCOC(=O)c1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001436447590 1065321703 /nfs/dbraw/zinc/32/17/03/1065321703.db2.gz VGRNKLVPRUJJJE-AREMUKBSSA-N 1 0 457.574 4.565 20 0 JJADRO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360439379 1065321853 /nfs/dbraw/zinc/32/18/53/1065321853.db2.gz IWASLXCTBVUXRN-AAKBJARWSA-N 1 0 494.709 4.930 20 0 JJADRO COCc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc(C(=O)OC)c1 ZINC001436460343 1065323517 /nfs/dbraw/zinc/32/35/17/1065323517.db2.gz BPSWQYGLRVNLLO-GGXMVOPNSA-N 1 0 472.585 4.648 20 0 JJADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360442574 1065328140 /nfs/dbraw/zinc/32/81/40/1065328140.db2.gz PJBGCMDOGMLAPD-IDDUVEHPSA-N 1 0 471.715 4.676 20 0 JJADRO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CC1CC[NH+](C2CC2)CC1 ZINC001360443353 1065329320 /nfs/dbraw/zinc/32/93/20/1065329320.db2.gz XZUSRSCJWYWTNB-FPYOTAMTSA-N 1 0 471.715 4.676 20 0 JJADRO CCC[C@H]1CN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC[N@@H+]1CCOC ZINC001545898891 1065333256 /nfs/dbraw/zinc/33/32/56/1065333256.db2.gz DDYKFQMWNSDIQF-IBGZPJMESA-N 1 0 451.542 4.721 20 0 JJADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360445423 1065333166 /nfs/dbraw/zinc/33/31/66/1065333166.db2.gz BTJHDFNVWLAUEM-XUZZJYLKSA-N 1 0 482.717 4.742 20 0 JJADRO COc1ccc(Br)c(CC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001436523800 1065342885 /nfs/dbraw/zinc/34/28/85/1065342885.db2.gz KQKGLZSGRJXDQS-UHFFFAOYSA-N 1 0 457.412 4.515 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360452334 1065345251 /nfs/dbraw/zinc/34/52/51/1065345251.db2.gz KEILOQXYMCTTCM-GCJKJVERSA-N 1 0 464.614 4.965 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360453944 1065349227 /nfs/dbraw/zinc/34/92/27/1065349227.db2.gz BDHRMAYVYXNVQE-XOBRGWDASA-N 1 0 496.500 4.997 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360453926 1065349334 /nfs/dbraw/zinc/34/93/34/1065349334.db2.gz AYBXMAILQWOAFB-ZZNFJVAJSA-N 1 0 457.638 4.873 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc(-c2ccccc2Br)n1CC[NH+]1CCCCC1 ZINC001360455972 1065355274 /nfs/dbraw/zinc/35/52/74/1065355274.db2.gz FFFLJXHZGJSSOK-KRWDZBQOSA-N 1 0 458.404 4.984 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001360456615 1065356573 /nfs/dbraw/zinc/35/65/73/1065356573.db2.gz RSGDJVYKYCGRBA-JKSUJKDBSA-N 1 0 458.404 4.981 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001360458966 1065359539 /nfs/dbraw/zinc/35/95/39/1065359539.db2.gz CYLFYPVCJLUGRT-WMZHIEFXSA-N 1 0 459.428 4.520 20 0 JJADRO C[C@@H](c1ccco1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001360461358 1065366652 /nfs/dbraw/zinc/36/66/52/1065366652.db2.gz TULKDGQYAJFUOG-SLFFLAALSA-N 1 0 486.661 4.714 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001360461357 1065366702 /nfs/dbraw/zinc/36/67/02/1065366702.db2.gz TULKDGQYAJFUOG-AQNXPRMDSA-N 1 0 486.661 4.714 20 0 JJADRO CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC001436569259 1065371321 /nfs/dbraw/zinc/37/13/21/1065371321.db2.gz AXBGBYJMWVLCDW-JXMROGBWSA-N 1 0 456.486 4.536 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+](C)C1CCCCC1 ZINC001360466072 1065376025 /nfs/dbraw/zinc/37/60/25/1065376025.db2.gz HKKAEMJXAIVWOO-GOSISDBHSA-N 1 0 486.711 4.793 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC001360470593 1065388983 /nfs/dbraw/zinc/38/89/83/1065388983.db2.gz WYOXJQVJGXFYST-LJQANCHMSA-N 1 0 453.384 4.712 20 0 JJADRO COCCOC1CCC(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001436619443 1065399713 /nfs/dbraw/zinc/39/97/13/1065399713.db2.gz SAGQQHOXMCPWDH-WZDPVOGJSA-N 1 0 456.671 4.892 20 0 JJADRO CO[C@@](C)(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1F ZINC001436630731 1065408291 /nfs/dbraw/zinc/40/82/91/1065408291.db2.gz CNPMPFDSKCTRQA-GEWUYGHSSA-N 1 0 450.529 4.611 20 0 JJADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(C2CCCC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360502968 1065430648 /nfs/dbraw/zinc/43/06/48/1065430648.db2.gz GMLMITLCYWAJHZ-WMZHIEFXSA-N 1 0 451.615 4.995 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001360503783 1065434260 /nfs/dbraw/zinc/43/42/60/1065434260.db2.gz NOOZOYKBJYDZQJ-JOCHJYFZSA-N 1 0 476.669 4.692 20 0 JJADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001545901385 1065438050 /nfs/dbraw/zinc/43/80/50/1065438050.db2.gz LLTJWIPXTMBNTJ-MRXNPFEDSA-N 1 0 454.373 4.713 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1)[N@H+](C)C1CC1 ZINC001360505058 1065438999 /nfs/dbraw/zinc/43/89/99/1065438999.db2.gz GWXHPACTRXFUNQ-MFVTWZDWSA-N 1 0 483.701 4.843 20 0 JJADRO C[C@H](CCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360505416 1065440805 /nfs/dbraw/zinc/44/08/05/1065440805.db2.gz NZCAXGMEMRYVNX-RTBURBONSA-N 1 0 499.025 4.936 20 0 JJADRO C[C@@H](CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC001360505381 1065440843 /nfs/dbraw/zinc/44/08/43/1065440843.db2.gz NPPLTZNUOKIALM-PMACEKPBSA-N 1 0 490.490 4.835 20 0 JJADRO C[C@H](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCSCC1)[NH+]1CCCCC1 ZINC001360505614 1065441419 /nfs/dbraw/zinc/44/14/19/1065441419.db2.gz RJKRVQSQTYAMLN-MRXNPFEDSA-N 1 0 482.467 4.664 20 0 JJADRO C[C@H](CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001360508820 1065448105 /nfs/dbraw/zinc/44/81/05/1065448105.db2.gz JGEUIUJELIFKKX-HSALFYBXSA-N 1 0 456.585 4.911 20 0 JJADRO C[C@H](CCn1c(C2CCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360508629 1065448166 /nfs/dbraw/zinc/44/81/66/1065448166.db2.gz GJVWZTMMSPKZJW-IRLDBZIGSA-N 1 0 474.694 4.646 20 0 JJADRO C[C@H](CCn1c(C2CCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001360508628 1065448214 /nfs/dbraw/zinc/44/82/14/1065448214.db2.gz GJVWZTMMSPKZJW-IFMALSPDSA-N 1 0 474.694 4.646 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)o1)[NH+]1CCCCC1 ZINC001360508827 1065448238 /nfs/dbraw/zinc/44/82/38/1065448238.db2.gz JIODWRKTIPZLNI-IEBWSBKVSA-N 1 0 480.451 4.776 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCOC2)nnc1N(C)CCOc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC001360509008 1065449041 /nfs/dbraw/zinc/44/90/41/1065449041.db2.gz MBGGMOZIASLGIW-RTWAWAEBSA-N 1 0 476.065 4.605 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[NH+]1CCCCC1 ZINC001360509180 1065449045 /nfs/dbraw/zinc/44/90/45/1065449045.db2.gz OGLNLQRWLZNNPD-DLBZAZTESA-N 1 0 486.608 4.896 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1)[NH+]1CCCCC1 ZINC001360509479 1065449719 /nfs/dbraw/zinc/44/97/19/1065449719.db2.gz TYGNBNNRDWGEBF-QZTJIDSGSA-N 1 0 496.519 4.897 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C(=C\c1ccc(OC)cc1)c1cccs1 ZINC001436843175 1065450377 /nfs/dbraw/zinc/45/03/77/1065450377.db2.gz GTHISDQZRYWNEP-JRCDKVLCSA-N 1 0 476.642 4.951 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC001360509780 1065450813 /nfs/dbraw/zinc/45/08/13/1065450813.db2.gz XVJQMFLFWDUPIT-AZUAARDMSA-N 1 0 465.564 4.702 20 0 JJADRO C[C@@H](CCn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360510262 1065453531 /nfs/dbraw/zinc/45/35/31/1065453531.db2.gz HCJNWCUOKMRLLD-GMAHTHKFSA-N 1 0 498.716 4.837 20 0 JJADRO C[C@H](CCn1c(Cc2ccsc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360510735 1065455793 /nfs/dbraw/zinc/45/57/93/1065455793.db2.gz OXCJNPDOEAGJCM-WZONZLPQSA-N 1 0 499.647 4.725 20 0 JJADRO C[C@H](CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360511600 1065457411 /nfs/dbraw/zinc/45/74/11/1065457411.db2.gz YUVBVQGHABHETJ-HSZRJFAPSA-N 1 0 494.728 4.616 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001360511780 1065458312 /nfs/dbraw/zinc/45/83/12/1065458312.db2.gz ZVZWCRFTKUDOOB-IBGZPJMESA-N 1 0 481.607 4.671 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1)[N@H+](C)Cc1ccccc1 ZINC001360513680 1065461579 /nfs/dbraw/zinc/46/15/79/1065461579.db2.gz FOMQYGFZNFULMH-BIGMCNFVSA-N 1 0 497.728 4.970 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1Br)[NH+]1CCCCC1 ZINC001360514636 1065468361 /nfs/dbraw/zinc/46/83/61/1065468361.db2.gz XJJJOOKKGXPQRQ-WIYYLYMNSA-N 1 0 476.463 4.793 20 0 JJADRO C[C@@H](CCn1c(Nc2cnn(C)c2)nnc1-c1ccc(F)cc1Br)[NH+]1CCCCC1 ZINC001360514683 1065469131 /nfs/dbraw/zinc/46/91/31/1065469131.db2.gz XXZJDSQTZIKHKH-HNNXBMFYSA-N 1 0 476.398 4.588 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001545903622 1065485322 /nfs/dbraw/zinc/48/53/22/1065485322.db2.gz DZBSOWRNLNZDDM-KCZVDYSFSA-N 1 0 486.730 4.968 20 0 JJADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnc1C(C)(C)C ZINC001360519527 1065487568 /nfs/dbraw/zinc/48/75/68/1065487568.db2.gz OQKZJQJYQZPKNT-KCZVDYSFSA-N 1 0 488.721 4.532 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545903682 1065489208 /nfs/dbraw/zinc/48/92/08/1065489208.db2.gz GHOHKMSCWGZUDZ-RCZVLFRGSA-N 1 0 480.701 4.967 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001545903684 1065489268 /nfs/dbraw/zinc/48/92/68/1065489268.db2.gz GHOHKMSCWGZUDZ-WIOPSUGQSA-N 1 0 480.701 4.967 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@H](C)c1nccs1 ZINC001360520303 1065492316 /nfs/dbraw/zinc/49/23/16/1065492316.db2.gz DKUPQQKKTNQIMM-IBGZPJMESA-N 1 0 465.671 4.864 20 0 JJADRO C[C@@H](CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1)[NH+](C)C)c1nccs1 ZINC001360521819 1065497342 /nfs/dbraw/zinc/49/73/42/1065497342.db2.gz ZZIPRLREDZSBMS-FXAWDEMLSA-N 1 0 482.057 4.993 20 0 JJADRO C[C@@H](CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1)[NH+](C)C)c1nccs1 ZINC001360521821 1065497447 /nfs/dbraw/zinc/49/74/47/1065497447.db2.gz ZZIPRLREDZSBMS-PXNSSMCTSA-N 1 0 482.057 4.993 20 0 JJADRO CCc1nc(C(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC001437029116 1065498776 /nfs/dbraw/zinc/49/87/76/1065498776.db2.gz LUDMSTFUENWEGN-FQEVSTJZSA-N 1 0 452.002 4.608 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001545904152 1065499804 /nfs/dbraw/zinc/49/98/04/1065499804.db2.gz PFPKTLZIZAIKHY-NHCUHLMSSA-N 1 0 472.703 4.720 20 0 JJADRO C[C@@H](CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccccc1)[NH+](C)C)c1nccs1 ZINC001360526418 1065504928 /nfs/dbraw/zinc/50/49/28/1065504928.db2.gz LGSWIFIEYZNVHA-RXVVDRJESA-N 1 0 466.680 4.930 20 0 JJADRO C[C@H](CN(C)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCc2ccccc2C1)c1nccs1 ZINC001360526841 1065505917 /nfs/dbraw/zinc/50/59/17/1065505917.db2.gz URTHHURQUKLQFF-LJQANCHMSA-N 1 0 452.672 4.621 20 0 JJADRO CC1CCC([NH+]2CCN(C(=O)c3ccc(Oc4ccc(Br)cc4)nc3)CC2)CC1 ZINC001360527872 1065507094 /nfs/dbraw/zinc/50/70/94/1065507094.db2.gz RRPGLKQKXALIEG-UHFFFAOYSA-N 1 0 458.400 4.973 20 0 JJADRO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001545904930 1065510538 /nfs/dbraw/zinc/51/05/38/1065510538.db2.gz KDWMJZWYHJBBEZ-SCLBCKFNSA-N 1 0 450.423 4.578 20 0 JJADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[NH+](C)C ZINC001360534375 1065515693 /nfs/dbraw/zinc/51/56/93/1065515693.db2.gz FCYMTIXLEBSWGI-OAHLLOKOSA-N 1 0 463.399 4.540 20 0 JJADRO CCNC(=O)Oc1cccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001437181790 1065517285 /nfs/dbraw/zinc/51/72/85/1065517285.db2.gz MDXFPFGLXLIRIC-FGZHOGPDSA-N 1 0 450.560 4.678 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360540615 1065525665 /nfs/dbraw/zinc/52/56/65/1065525665.db2.gz HNTDDBUNLQHUBR-REWPJTCUSA-N 1 0 494.728 4.856 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC001360541133 1065527284 /nfs/dbraw/zinc/52/72/84/1065527284.db2.gz IFCAAMJUWGUGTO-ZIAGYGMSSA-N 1 0 459.919 4.999 20 0 JJADRO C[C@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+](C)C ZINC001360541197 1065527553 /nfs/dbraw/zinc/52/75/53/1065527553.db2.gz NHVDBCWHGLGTQU-GOSISDBHSA-N 1 0 481.000 4.752 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](OCc2ccccc2)C1)[NH+](C)C ZINC001360541260 1065528048 /nfs/dbraw/zinc/52/80/48/1065528048.db2.gz NPDHRNANTIOPII-FUHWJXTLSA-N 1 0 490.471 4.515 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccsc1)[N@H+](C)C1CC1 ZINC001360541521 1065528579 /nfs/dbraw/zinc/52/85/79/1065528579.db2.gz QLXPBGSWBNKAGC-CYBMUJFWSA-N 1 0 466.474 4.950 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC(c2nccs2)CC1)[NH+](C)C ZINC001360542009 1065530224 /nfs/dbraw/zinc/53/02/24/1065530224.db2.gz WFGUKBLJMSZYSL-ZDUSSCGKSA-N 1 0 481.489 4.560 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001360542078 1065530724 /nfs/dbraw/zinc/53/07/24/1065530724.db2.gz XCRAJHVZLJVMQI-GFCCVEGCSA-N 1 0 470.387 4.634 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001437286544 1065531257 /nfs/dbraw/zinc/53/12/57/1065531257.db2.gz GFAGWVQYFMHYEG-KELGSRBJSA-N 1 0 457.659 4.685 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC001360542628 1065531907 /nfs/dbraw/zinc/53/19/07/1065531907.db2.gz ZVEJPWJZTLTWDM-MRXNPFEDSA-N 1 0 460.960 4.532 20 0 JJADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2C[C@]1(C)CCC2)[NH+](C)C ZINC001360542585 1065532014 /nfs/dbraw/zinc/53/20/14/1065532014.db2.gz YVKYDBQYEOACLI-PZPWOCDFSA-N 1 0 450.400 4.566 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2C[C@]1(C)CCC2)[NH+](C)C ZINC001360542586 1065532144 /nfs/dbraw/zinc/53/21/44/1065532144.db2.gz YVKYDBQYEOACLI-ZSDSOXJFSA-N 1 0 450.400 4.566 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360544300 1065533384 /nfs/dbraw/zinc/53/33/84/1065533384.db2.gz GDBLGQWPVHKVPF-OAQYLSRUSA-N 1 0 482.673 4.655 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001545906180 1065535832 /nfs/dbraw/zinc/53/58/32/1065535832.db2.gz SOAIQWTXCATKJH-RDGATRHJSA-N 1 0 494.728 4.919 20 0 JJADRO C[C@H](Cn1c(-c2cccnc2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC001360549792 1065541715 /nfs/dbraw/zinc/54/17/15/1065541715.db2.gz ZDDHFOHCMBSMEB-IIBYNOLFSA-N 1 0 487.421 4.732 20 0 JJADRO C[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cc(Br)cs1)[NH+](C)C ZINC001360551439 1065542872 /nfs/dbraw/zinc/54/28/72/1065542872.db2.gz ZQUVQYOANSKBML-OAHLLOKOSA-N 1 0 487.471 4.847 20 0 JJADRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c1 ZINC001360551747 1065543551 /nfs/dbraw/zinc/54/35/51/1065543551.db2.gz XXBFFFPXNHCWBF-LOSJGSFVSA-N 1 0 469.651 4.715 20 0 JJADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 ZINC001437380957 1065545450 /nfs/dbraw/zinc/54/54/50/1065545450.db2.gz QTIDAJJKZGNXDR-UHFFFAOYSA-N 1 0 450.410 4.676 20 0 JJADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360558961 1065548133 /nfs/dbraw/zinc/54/81/33/1065548133.db2.gz VXKUULVOTBJYDA-FCHUYYIVSA-N 1 0 488.721 4.893 20 0 JJADRO C[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360560275 1065550287 /nfs/dbraw/zinc/55/02/87/1065550287.db2.gz UIPPYTWSDYIXLI-QPPBQGQZSA-N 1 0 496.700 4.902 20 0 JJADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(C1)CCCCC2)[NH+](C)C ZINC001360563429 1065553969 /nfs/dbraw/zinc/55/39/69/1065553969.db2.gz KJNOSFJXBKKFND-HXUWFJFHSA-N 1 0 474.694 4.503 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001545907118 1065557678 /nfs/dbraw/zinc/55/76/78/1065557678.db2.gz AHARMIPWWHKYAH-HXUWFJFHSA-N 1 0 486.730 4.797 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360568693 1065560723 /nfs/dbraw/zinc/56/07/23/1065560723.db2.gz FLNGOLNALMIZRB-JOCHJYFZSA-N 1 0 498.716 4.834 20 0 JJADRO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001360578908 1065574502 /nfs/dbraw/zinc/57/45/02/1065574502.db2.gz OARUJAQAGDUUBC-NHCUHLMSSA-N 1 0 492.634 4.604 20 0 JJADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1nccs1)[N@H+](C)Cc1ccccc1 ZINC001360579626 1065576160 /nfs/dbraw/zinc/57/61/60/1065576160.db2.gz TUUHPUIQPOZNEH-GOSISDBHSA-N 1 0 452.653 4.544 20 0 JJADRO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001360582662 1065580107 /nfs/dbraw/zinc/58/01/07/1065580107.db2.gz PYGVDLXRHKWJOL-QPPBQGQZSA-N 1 0 453.675 4.720 20 0 JJADRO C[C@@H](Cn1c(N(C)CCCc2cc(-c3ccccc3)no2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001360586058 1065585993 /nfs/dbraw/zinc/58/59/93/1065585993.db2.gz BHQCVAFKWZDEIY-IBGZPJMESA-N 1 0 450.631 4.782 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC001360586346 1065586500 /nfs/dbraw/zinc/58/65/00/1065586500.db2.gz DJTKAFICFRXNIX-NRFANRHFSA-N 1 0 470.681 4.513 20 0 JJADRO C[C@@H](Cn1c(N2CCC[C@@H](Oc3ncccc3F)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001360587484 1065589093 /nfs/dbraw/zinc/58/90/93/1065589093.db2.gz QHJPZIMEMFFGFU-RBBKRZOGSA-N 1 0 480.632 4.678 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)S[C@H](C)C1)C[NH+]1CCCC1 ZINC001360591294 1065598340 /nfs/dbraw/zinc/59/83/40/1065598340.db2.gz ALKMPRPLXGIJTJ-BZUAXINKSA-N 1 0 484.533 4.831 20 0 JJADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001360591773 1065598967 /nfs/dbraw/zinc/59/89/67/1065598967.db2.gz JPAWBDQENDRIPJ-LJQANCHMSA-N 1 0 498.672 4.505 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360591730 1065598990 /nfs/dbraw/zinc/59/89/90/1065598990.db2.gz IPYZOTGVVDILSU-IRXDYDNUSA-N 1 0 463.468 4.640 20 0 JJADRO C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C)C1)C[NH+]1CCCC1 ZINC001360591913 1065599632 /nfs/dbraw/zinc/59/96/32/1065599632.db2.gz MGJWXOSXUVJNDY-GUDVDZBRSA-N 1 0 464.079 4.745 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC001360592254 1065599985 /nfs/dbraw/zinc/59/99/85/1065599985.db2.gz RXIAJODMPKAHTC-MSOLQXFVSA-N 1 0 477.495 4.650 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CCOC(C)(C)C)C[NH+]1CCCC1 ZINC001360592292 1065600096 /nfs/dbraw/zinc/60/00/96/1065600096.db2.gz SFVSILMJLPDKMK-INIZCTEOSA-N 1 0 484.508 4.752 20 0 JJADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)Oc1ccc(Cl)cc1 ZINC001360592503 1065600982 /nfs/dbraw/zinc/60/09/82/1065600982.db2.gz WUEKYTOPWFWTRS-SIKLNZKXSA-N 1 0 476.065 4.809 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)C[NH+]1CCCC1 ZINC001360593330 1065603272 /nfs/dbraw/zinc/60/32/72/1065603272.db2.gz FUEYWKXUSLDFET-INIZCTEOSA-N 1 0 495.981 4.719 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593436 1065603389 /nfs/dbraw/zinc/60/33/89/1065603389.db2.gz GYPNVVOSWIQVGN-OFNKIYASSA-N 1 0 473.637 4.512 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001360594053 1065604124 /nfs/dbraw/zinc/60/41/24/1065604124.db2.gz LPJNAHHYUDYLSQ-KSSFIOAISA-N 1 0 492.373 4.751 20 0 JJADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC001360594096 1065604925 /nfs/dbraw/zinc/60/49/25/1065604925.db2.gz NYKADBCCCCEVKM-IBGZPJMESA-N 1 0 472.559 4.651 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CC(F)(F)C1)C[NH+]1CCCCC1 ZINC001360596544 1065609004 /nfs/dbraw/zinc/60/90/04/1065609004.db2.gz BZVNHNFDMFQSES-HNNXBMFYSA-N 1 0 485.421 4.639 20 0 JJADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC001360596546 1065609059 /nfs/dbraw/zinc/60/90/59/1065609059.db2.gz BZVZCGXMUCBWRK-MOPGFXCFSA-N 1 0 454.569 4.938 20 0 JJADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC(C)(C)[C@@H]1C)C[NH+]1CCCCC1 ZINC001360596679 1065609746 /nfs/dbraw/zinc/60/97/46/1065609746.db2.gz FBNGGWUMPYKVIJ-OALUTQOASA-N 1 0 477.600 4.672 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC1(C)C)C[NH+]1CCCCC1 ZINC001360596831 1065611221 /nfs/dbraw/zinc/61/12/21/1065611221.db2.gz HZGDPQLPTFSJHD-QGZVFWFLSA-N 1 0 463.468 4.547 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360597400 1065613908 /nfs/dbraw/zinc/61/39/08/1065613908.db2.gz OJEYYBNNNFOJLU-BRWVUGGUSA-N 1 0 482.492 4.505 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H](C)c1cccc(C)c1 ZINC001545909726 1065614256 /nfs/dbraw/zinc/61/42/56/1065614256.db2.gz RAUHJRSSSZCRQT-NRFANRHFSA-N 1 0 468.690 4.619 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC001360597587 1065614624 /nfs/dbraw/zinc/61/46/24/1065614624.db2.gz PWBNSPCFPRDXLS-WOJBJXKFSA-N 1 0 490.490 4.692 20 0 JJADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001360597785 1065615212 /nfs/dbraw/zinc/61/52/12/1065615212.db2.gz RILWHZYHJOIDAS-FGZHOGPDSA-N 1 0 498.691 4.585 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)c1nccs1)C[NH+]1CCCC1 ZINC001360598328 1065617385 /nfs/dbraw/zinc/61/73/85/1065617385.db2.gz XCURKJRGUFDZJJ-UWHLTILDSA-N 1 0 474.719 4.625 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CO)(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC001360599108 1065619949 /nfs/dbraw/zinc/61/99/49/1065619949.db2.gz KIENJGFAIZLTBX-DEOSSOPVSA-N 1 0 481.729 4.810 20 0 JJADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360599299 1065620769 /nfs/dbraw/zinc/62/07/69/1065620769.db2.gz NJPGROTVOHLDHT-NZQKXSOJSA-N 1 0 460.066 4.650 20 0 JJADRO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1)C[NH+]1CCCCC1 ZINC001360599316 1065620787 /nfs/dbraw/zinc/62/07/87/1065620787.db2.gz NOASHEYLWZKKJO-DHIUTWEWSA-N 1 0 488.721 4.895 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360601559 1065623980 /nfs/dbraw/zinc/62/39/80/1065623980.db2.gz BMNOQXUUBHSYLQ-RTBURBONSA-N 1 0 483.554 4.897 20 0 JJADRO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360601851 1065624539 /nfs/dbraw/zinc/62/45/39/1065624539.db2.gz HWUBLFCYHOTKEZ-SFHVURJKSA-N 1 0 483.554 4.897 20 0 JJADRO CC(C)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001360602141 1065626179 /nfs/dbraw/zinc/62/61/79/1065626179.db2.gz MTZQRXKWZQQHAL-OAQYLSRUSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001360602756 1065627009 /nfs/dbraw/zinc/62/70/09/1065627009.db2.gz CVGKCPHNWHEZAJ-LJQANCHMSA-N 1 0 487.023 4.516 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC001360603579 1065628596 /nfs/dbraw/zinc/62/85/96/1065628596.db2.gz VANHZCRJDPRZSP-UYAOXDASSA-N 1 0 464.079 4.574 20 0 JJADRO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360603604 1065628710 /nfs/dbraw/zinc/62/87/10/1065628710.db2.gz VTFQYULEQHLPNW-GUDVDZBRSA-N 1 0 483.554 4.753 20 0 JJADRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)S[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360604153 1065629667 /nfs/dbraw/zinc/62/96/67/1065629667.db2.gz ZFESZUDYZNZMQV-ZLNRFVROSA-N 1 0 455.716 4.906 20 0 JJADRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C)S[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360604152 1065629707 /nfs/dbraw/zinc/62/97/07/1065629707.db2.gz ZFESZUDYZNZMQV-VJBWXMMDSA-N 1 0 455.716 4.906 20 0 JJADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)CCO1 ZINC001438059870 1065662083 /nfs/dbraw/zinc/66/20/83/1065662083.db2.gz MIDCYHSCBCCMOZ-LJQANCHMSA-N 1 0 451.394 4.755 20 0 JJADRO Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001438063987 1065663228 /nfs/dbraw/zinc/66/32/28/1065663228.db2.gz VNRVRZCIVJATCD-KRWDZBQOSA-N 1 0 455.546 4.629 20 0 JJADRO CN(C(=O)c1cccc(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1)c1ccccc1 ZINC001438119888 1065674169 /nfs/dbraw/zinc/67/41/69/1065674169.db2.gz MGLUOWCXSYJVPV-UHFFFAOYSA-N 1 0 455.602 4.995 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001438119613 1065674292 /nfs/dbraw/zinc/67/42/92/1065674292.db2.gz LBJVBLIYIBCTNO-UHFFFAOYSA-N 1 0 451.611 4.995 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCC(C)(F)F)CC1 ZINC001360628511 1065675611 /nfs/dbraw/zinc/67/56/11/1065675611.db2.gz ADEFIMOTBWMHRO-UHFFFAOYSA-N 1 0 496.647 4.503 20 0 JJADRO CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001438124991 1065675878 /nfs/dbraw/zinc/67/58/78/1065675878.db2.gz VIPPGGYHONMLRA-MHZLTWQESA-N 1 0 459.675 4.982 20 0 JJADRO CC(F)(F)CCn1c(CCc2ccccc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001360630520 1065679090 /nfs/dbraw/zinc/67/90/90/1065679090.db2.gz OJLSRXXOCMFYSK-UHFFFAOYSA-N 1 0 459.610 4.535 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001360636880 1065695957 /nfs/dbraw/zinc/69/59/57/1065695957.db2.gz NCFLNJIYUZOLPL-PZJWPPBQSA-N 1 0 474.694 4.550 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)C1 ZINC001360637597 1065700967 /nfs/dbraw/zinc/70/09/67/1065700967.db2.gz YXZBDWKALCXJGD-FKBYEOEOSA-N 1 0 490.737 4.826 20 0 JJADRO CCc1ccc([C@H](C)CC(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)cc1 ZINC001438259699 1065703717 /nfs/dbraw/zinc/70/37/17/1065703717.db2.gz QDTPMHUZVMQBBF-LJQANCHMSA-N 1 0 452.599 4.833 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(c2ccnc(NC(=O)c3cc(Cl)sc3Cl)c2)CC1 ZINC001438264617 1065704098 /nfs/dbraw/zinc/70/40/98/1065704098.db2.gz AWPOHOQGTYYZOY-UHFFFAOYSA-N 1 0 457.383 4.759 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)C2(CC(=O)OC(C)(C)C)CCC2)cc1 ZINC001438323516 1065709063 /nfs/dbraw/zinc/70/90/63/1065709063.db2.gz BZAFVLAKJDDBBB-LOSJGSFVSA-N 1 0 478.633 4.682 20 0 JJADRO COc1ccc(OC(C)(C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001438323244 1065709193 /nfs/dbraw/zinc/70/91/93/1065709193.db2.gz BJQILGMLZSPBJW-RRPNLBNLSA-N 1 0 474.601 4.646 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC001438337770 1065711360 /nfs/dbraw/zinc/71/13/60/1065711360.db2.gz OUEDQCTYJXHURT-RRWZXMNXSA-N 1 0 464.993 4.900 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)CCCOc2cccc(C)c2)cc1 ZINC001438338074 1065711547 /nfs/dbraw/zinc/71/15/47/1065711547.db2.gz PFBCTCOLLISFPZ-WUFINQPMSA-N 1 0 458.602 4.947 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001438338483 1065712223 /nfs/dbraw/zinc/71/22/23/1065712223.db2.gz WYYBHQFNNSHASY-HUVFLSCGSA-N 1 0 457.659 4.734 20 0 JJADRO C[C@H](Cn1c(C2CCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001360641781 1065714690 /nfs/dbraw/zinc/71/46/90/1065714690.db2.gz NDMWTCLFJAYUJT-ZFGGDYGUSA-N 1 0 496.700 4.806 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N1CCN(c2cccc3[nH]ccc32)CC1)c1cccc(C(F)(F)F)c1 ZINC001438480859 1065724247 /nfs/dbraw/zinc/72/42/47/1065724247.db2.gz QIXLOAIALMKJPD-QHCPKHFHSA-N 1 0 458.528 4.918 20 0 JJADRO CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001360650129 1065725208 /nfs/dbraw/zinc/72/52/08/1065725208.db2.gz XPEMXBCJEMTCBD-UHFFFAOYSA-N 1 0 451.380 4.510 20 0 JJADRO CSCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC001360654072 1065725943 /nfs/dbraw/zinc/72/59/43/1065725943.db2.gz BZHKYYPVPKJZPW-IBGZPJMESA-N 1 0 451.592 4.714 20 0 JJADRO Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@H+](C)C4)cc3)cc2)nc1 ZINC001360659396 1065728332 /nfs/dbraw/zinc/72/83/32/1065728332.db2.gz XSQSUPASUDLALF-QHCPKHFHSA-N 1 0 458.562 4.601 20 0 JJADRO COc1ccc(CCCCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)cc1 ZINC001360658795 1065728552 /nfs/dbraw/zinc/72/85/52/1065728552.db2.gz PTBCVCBSWUBSDP-DEOSSOPVSA-N 1 0 451.611 4.603 20 0 JJADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001438747348 1065748940 /nfs/dbraw/zinc/74/89/40/1065748940.db2.gz NPRDHYFUCLKWAN-UHFFFAOYSA-N 1 0 452.368 4.683 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+]1Cc1ccccc1 ZINC001360735395 1065763956 /nfs/dbraw/zinc/76/39/56/1065763956.db2.gz RDPPSQANBKCLLE-QFBILLFUSA-N 1 0 456.384 4.644 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001360735908 1065764113 /nfs/dbraw/zinc/76/41/13/1065764113.db2.gz ZMRPDQYEWHDCRL-AEFFLSMTSA-N 1 0 458.393 4.699 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001360735923 1065764579 /nfs/dbraw/zinc/76/45/79/1065764579.db2.gz ZPWXLENXCVOINC-HYBUGGRVSA-N 1 0 451.611 4.836 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2cccs2)n1CC[N@H+]1CC=CCC1 ZINC001360738107 1065767874 /nfs/dbraw/zinc/76/78/74/1065767874.db2.gz KCHYYKYOJSFHNG-IBGZPJMESA-N 1 0 455.603 4.560 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC(C)(C)C[NH+](C)C ZINC001360741322 1065775506 /nfs/dbraw/zinc/77/55/06/1065775506.db2.gz OATFGZMSPYZCBH-MRXNPFEDSA-N 1 0 469.527 4.844 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001360741898 1065776068 /nfs/dbraw/zinc/77/60/68/1065776068.db2.gz SODCYFSEWWCFQB-UXHICEINSA-N 1 0 473.637 4.540 20 0 JJADRO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001360742414 1065777661 /nfs/dbraw/zinc/77/76/61/1065777661.db2.gz XDFIXUPINWIECH-UTKZUKDTSA-N 1 0 456.637 4.853 20 0 JJADRO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001360742416 1065778352 /nfs/dbraw/zinc/77/83/52/1065778352.db2.gz XDFIXUPINWIECH-UWJYYQICSA-N 1 0 456.637 4.853 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001360743617 1065779301 /nfs/dbraw/zinc/77/93/01/1065779301.db2.gz GWPISAURVDFOGJ-INIZCTEOSA-N 1 0 498.430 4.567 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCSC(F)(F)F ZINC001360743657 1065779849 /nfs/dbraw/zinc/77/98/49/1065779849.db2.gz HJKHAYRBADGEDS-SJLPKXTDSA-N 1 0 487.567 4.875 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360744271 1065781785 /nfs/dbraw/zinc/78/17/85/1065781785.db2.gz QJYNYOXFINNIJI-HNAYVOBHSA-N 1 0 465.545 4.767 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)CCCCC1 ZINC001439095834 1065784859 /nfs/dbraw/zinc/78/48/59/1065784859.db2.gz FJVBDWVNLRISTF-QFIPXVFZSA-N 1 0 451.586 4.520 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001360746138 1065788034 /nfs/dbraw/zinc/78/80/34/1065788034.db2.gz UBQKBCIGPHDHRU-REWPJTCUSA-N 1 0 473.637 4.827 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747626 1065789562 /nfs/dbraw/zinc/78/95/62/1065789562.db2.gz LINCCAFYGICNQI-JTHBVZDNSA-N 1 0 455.643 4.537 20 0 JJADRO CC[C@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Br)cc1 ZINC001439120438 1065790148 /nfs/dbraw/zinc/79/01/48/1065790148.db2.gz CMNQVBNMXCZUIN-QFIPXVFZSA-N 1 0 459.428 4.740 20 0 JJADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001439122079 1065790545 /nfs/dbraw/zinc/79/05/45/1065790545.db2.gz LSZNHUWUBJTDQX-KRWDZBQOSA-N 1 0 451.394 4.558 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCCCS1 ZINC001360748619 1065790498 /nfs/dbraw/zinc/79/04/98/1065790498.db2.gz CPZMKMGPKCKVMF-GHTZIAJQSA-N 1 0 461.651 4.763 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc3ccccc3cc2OC(F)F)CCOCC1 ZINC001439122927 1065790739 /nfs/dbraw/zinc/79/07/39/1065790739.db2.gz RHSLWGSCQGXBTR-UHFFFAOYSA-N 1 0 454.517 4.852 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCSC1 ZINC001360748971 1065790976 /nfs/dbraw/zinc/79/09/76/1065790976.db2.gz JFHNNSOMFNJKEX-VQTJNVASSA-N 1 0 475.678 4.869 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360749993 1065793591 /nfs/dbraw/zinc/79/35/91/1065793591.db2.gz RWZSAKZMHVTKEF-BVFVYWQFSA-N 1 0 473.637 4.683 20 0 JJADRO O=C(c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001360751575 1065797757 /nfs/dbraw/zinc/79/77/57/1065797757.db2.gz DLGREIJTMKUSPS-GOSISDBHSA-N 1 0 454.924 4.694 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccsc2)n1CCC[NH+]1CCC(O)CC1 ZINC001360753353 1065799495 /nfs/dbraw/zinc/79/94/95/1065799495.db2.gz BOMBCCWCNVLVRZ-GOSISDBHSA-N 1 0 490.073 4.616 20 0 JJADRO C[C@@]1(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CCCN1C(=O)c1ccccc1 ZINC001439224297 1065801312 /nfs/dbraw/zinc/80/13/12/1065801312.db2.gz LEARXWYVBSIVFF-DEOSSOPVSA-N 1 0 459.512 4.935 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360753821 1065801470 /nfs/dbraw/zinc/80/14/70/1065801470.db2.gz JKSPKZXFICVNGE-IRXDYDNUSA-N 1 0 461.035 4.649 20 0 JJADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001439243825 1065803790 /nfs/dbraw/zinc/80/37/90/1065803790.db2.gz CUFPGVWPIXLMSK-OPYAIIAOSA-N 1 0 451.419 4.810 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001360756229 1065813646 /nfs/dbraw/zinc/81/36/46/1065813646.db2.gz QTVLLYCIWAXBGI-PMACEKPBSA-N 1 0 490.092 4.791 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360758646 1065825818 /nfs/dbraw/zinc/82/58/18/1065825818.db2.gz ULCCRHQLLDZZAL-WOIUINJBSA-N 1 0 476.065 4.807 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001360759211 1065828280 /nfs/dbraw/zinc/82/82/80/1065828280.db2.gz YWYRHSIWHGAKFN-CTNGQTDRSA-N 1 0 476.065 4.545 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001360760053 1065831244 /nfs/dbraw/zinc/83/12/44/1065831244.db2.gz GSCAGAQDSLLUIO-ZVDOUQERSA-N 1 0 476.065 4.543 20 0 JJADRO C[C@@H](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@@H]1C)[NH+]1CCCCC1 ZINC001360760288 1065831950 /nfs/dbraw/zinc/83/19/50/1065831950.db2.gz JSBRRTLCCNQBLE-UFYCRDLUSA-N 1 0 462.038 4.561 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001360760986 1065835426 /nfs/dbraw/zinc/83/54/26/1065835426.db2.gz WLURQCRBIPULEQ-HOYKHHGWSA-N 1 0 490.073 4.571 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001360763026 1065842091 /nfs/dbraw/zinc/84/20/91/1065842091.db2.gz OSBVZSVFJLJXHP-MOPGFXCFSA-N 1 0 487.645 4.927 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCSCC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360763485 1065843535 /nfs/dbraw/zinc/84/35/35/1065843535.db2.gz WZZVHJRKVYGEMI-UZLBHIALSA-N 1 0 478.087 4.989 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CCOCC2)C1 ZINC001360765018 1065847806 /nfs/dbraw/zinc/84/78/06/1065847806.db2.gz JLQAHLNPLHCJHD-RBBKRZOGSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360765304 1065848980 /nfs/dbraw/zinc/84/89/80/1065848980.db2.gz OYGIJGAJAVVGBK-FDFHNCONSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1nccs1)[NH+]1CCCCC1 ZINC001360765741 1065852023 /nfs/dbraw/zinc/85/20/23/1065852023.db2.gz XORIEFRTZJCFPF-RTBURBONSA-N 1 0 472.634 4.915 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H]1CCC[C@@H]1CC ZINC001545924175 1065857863 /nfs/dbraw/zinc/85/78/63/1065857863.db2.gz RWRZGUMZIARUGS-BJKOFHAPSA-N 1 0 480.701 4.653 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001360769009 1065858756 /nfs/dbraw/zinc/85/87/56/1065858756.db2.gz BYNWGXSBGFLQAB-ICSRJNTNSA-N 1 0 495.590 4.538 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC[NH+]1CCCCC1 ZINC001360769531 1065861926 /nfs/dbraw/zinc/86/19/26/1065861926.db2.gz KADMWPCQKCNYEH-QGZVFWFLSA-N 1 0 469.527 4.822 20 0 JJADRO CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001360773171 1065870876 /nfs/dbraw/zinc/87/08/76/1065870876.db2.gz HCQYHVRFNQVGJN-OAQYLSRUSA-N 1 0 487.664 4.788 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001360773274 1065871007 /nfs/dbraw/zinc/87/10/07/1065871007.db2.gz KNTHBSNPHHXGRU-RBUKOAKNSA-N 1 0 499.553 4.591 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001360773272 1065871176 /nfs/dbraw/zinc/87/11/76/1065871176.db2.gz KNTHBSNPHHXGRU-MOPGFXCFSA-N 1 0 499.553 4.591 20 0 JJADRO CC(=O)N(CCC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC001439759196 1065871517 /nfs/dbraw/zinc/87/15/17/1065871517.db2.gz XUQYUFJZDBVZHV-MFMCTBQISA-N 1 0 469.629 4.600 20 0 JJADRO C[C@@H]1[C@H](C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001439758856 1065871688 /nfs/dbraw/zinc/87/16/88/1065871688.db2.gz VRVXSBSPHOPYTP-XOSJJEKJSA-N 1 0 477.649 4.806 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001360773974 1065872644 /nfs/dbraw/zinc/87/26/44/1065872644.db2.gz MRSPJSGXKXGUKV-GIWBLDEGSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001360774796 1065873908 /nfs/dbraw/zinc/87/39/08/1065873908.db2.gz SZVHUPSDCHXOJU-DCFHFQCYSA-N 1 0 487.664 4.809 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001360778206 1065883839 /nfs/dbraw/zinc/88/38/39/1065883839.db2.gz LTLNWAZMNPQCGL-RTBURBONSA-N 1 0 461.651 4.763 20 0 JJADRO C[C@H](OCCCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001360780228 1065888786 /nfs/dbraw/zinc/88/87/86/1065888786.db2.gz FYIKMJONBYOGOU-QHCPKHFHSA-N 1 0 476.669 4.742 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001360781134 1065891326 /nfs/dbraw/zinc/89/13/26/1065891326.db2.gz RTHVFSYZPDLUIG-QHAWAJNXSA-N 1 0 461.626 4.680 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001360781133 1065891386 /nfs/dbraw/zinc/89/13/86/1065891386.db2.gz RTHVFSYZPDLUIG-HBMCJLEFSA-N 1 0 461.626 4.680 20 0 JJADRO CC(=O)Nc1cc(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001440048574 1065907052 /nfs/dbraw/zinc/90/70/52/1065907052.db2.gz TYFSZWPBYUQROK-CBQOVEMMSA-N 1 0 459.512 4.694 20 0 JJADRO CC1(C)C[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001360801876 1065913244 /nfs/dbraw/zinc/91/32/44/1065913244.db2.gz QWJYVGXWCIQYSV-SFHVURJKSA-N 1 0 485.982 4.736 20 0 JJADRO Cc1ccc(OCCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c3ccncc23)c(Cl)c1 ZINC001440139098 1065914846 /nfs/dbraw/zinc/91/48/46/1065914846.db2.gz DGTZNZXIHXUZIC-UHFFFAOYSA-N 1 0 452.986 4.746 20 0 JJADRO Cc1sc(Br)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c3ccncc23)c1C ZINC001440140719 1065915367 /nfs/dbraw/zinc/91/53/67/1065915367.db2.gz MDSDEEXVSZLENK-UHFFFAOYSA-N 1 0 459.413 4.680 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)c1cc(I)ccc1F)c1ccccc1 ZINC001440142533 1065915816 /nfs/dbraw/zinc/91/58/16/1065915816.db2.gz PGDAWSWZIDRDJF-IBGZPJMESA-N 1 0 454.327 4.633 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)c1cc(I)ccc1C)c1ccccc1 ZINC001440142643 1065915911 /nfs/dbraw/zinc/91/59/11/1065915911.db2.gz PSPKYFMDDYDGST-HXUWFJFHSA-N 1 0 450.364 4.803 20 0 JJADRO CC(C)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC(C)(C)C1)[NH+]1CCCCC1 ZINC001360804960 1065916390 /nfs/dbraw/zinc/91/63/90/1065916390.db2.gz CQBRZSIVEZAIJP-UHFFFAOYSA-N 1 0 487.092 4.752 20 0 JJADRO CC(C)(C)c1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360808116 1065920879 /nfs/dbraw/zinc/92/08/79/1065920879.db2.gz GXJVDTYOXNGGEF-UHFFFAOYSA-N 1 0 466.674 4.553 20 0 JJADRO CC(C)(C)c1nnc(N2CC[C@H](COCc3ccccc3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360808705 1065922276 /nfs/dbraw/zinc/92/22/76/1065922276.db2.gz RQLUMXIMOVDRKS-QHCPKHFHSA-N 1 0 453.675 4.741 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001360808826 1065922764 /nfs/dbraw/zinc/92/27/64/1065922764.db2.gz VHRWPEOEPTXBKV-UHFFFAOYSA-N 1 0 493.494 4.552 20 0 JJADRO CC(C)(C)C1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360809030 1065923041 /nfs/dbraw/zinc/92/30/41/1065923041.db2.gz ZNPUUINSVBKUJN-UHFFFAOYSA-N 1 0 499.725 4.653 20 0 JJADRO CC1(C)CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[NH+]1CCCC1 ZINC001360811497 1065924802 /nfs/dbraw/zinc/92/48/02/1065924802.db2.gz UYPMLEIQLAAGCV-UHFFFAOYSA-N 1 0 452.828 4.836 20 0 JJADRO COc1cccc([C@H](CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)[NH+]2CCCC2)c1 ZINC001440366419 1065933064 /nfs/dbraw/zinc/93/30/64/1065933064.db2.gz BQUJTQJEKISUNH-IBGZPJMESA-N 1 0 457.785 4.988 20 0 JJADRO C[NH+](C)C1(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)CCCCC1 ZINC001440370874 1065933542 /nfs/dbraw/zinc/93/35/42/1065933542.db2.gz PHANBKYZDGLVHD-UHFFFAOYSA-N 1 0 459.432 4.508 20 0 JJADRO COc1cccc([C@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)[NH+]2CCCC2)c1 ZINC001440383272 1065935496 /nfs/dbraw/zinc/93/54/96/1065935496.db2.gz ZFKBRAZHCAFVPM-NRFANRHFSA-N 1 0 450.476 4.838 20 0 JJADRO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440384571 1065936275 /nfs/dbraw/zinc/93/62/75/1065936275.db2.gz KBCUKYQULLNIMO-OXQOHEQNSA-N 1 0 450.004 4.508 20 0 JJADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001440539879 1065948378 /nfs/dbraw/zinc/94/83/78/1065948378.db2.gz QZERYSAAKRZODV-HNAYVOBHSA-N 1 0 451.792 4.823 20 0 JJADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001440539872 1065948613 /nfs/dbraw/zinc/94/86/13/1065948613.db2.gz QZERYSAAKRZODV-BEFAXECRSA-N 1 0 451.792 4.823 20 0 JJADRO COc1ccc([C@H](CNC(=O)C2(Cc3cccc(F)c3)CCOCC2)[NH+]2CCCCC2)cc1 ZINC001440556458 1065948878 /nfs/dbraw/zinc/94/88/78/1065948878.db2.gz AIBDZGAOMUASLY-VWLOTQADSA-N 1 0 454.586 4.517 20 0 JJADRO CCOc1cc(Br)c(CC(=O)NCC2([NH+](C)C)CCCCCC2)cc1OCC ZINC001440613236 1065954270 /nfs/dbraw/zinc/95/42/70/1065954270.db2.gz OUKFLSOYLIQGEA-UHFFFAOYSA-N 1 0 455.437 4.560 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(N(C)C(=O)OC(C)(C)C)c3)c(C)c2)CC1 ZINC001440611653 1065954358 /nfs/dbraw/zinc/95/43/58/1065954358.db2.gz AGLZKTVKRYXCGF-UHFFFAOYSA-N 1 0 452.599 4.761 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001440635088 1065956072 /nfs/dbraw/zinc/95/60/72/1065956072.db2.gz IAIKTTRTPRBWOE-CDMIOBSGSA-N 1 0 452.014 4.548 20 0 JJADRO CC(C)[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 ZINC001440643229 1065957432 /nfs/dbraw/zinc/95/74/32/1065957432.db2.gz CPSFHDPMOTUWRG-IBGZPJMESA-N 1 0 458.430 4.890 20 0 JJADRO Cc1sc(C)c(Cn2c(C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC001360849657 1065959844 /nfs/dbraw/zinc/95/98/44/1065959844.db2.gz WEUHHYJFZFQXQM-HNNXBMFYSA-N 1 0 474.472 4.786 20 0 JJADRO Cc1ccccc1-c1cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC001440665026 1065960761 /nfs/dbraw/zinc/96/07/61/1065960761.db2.gz HEZNTMNDJPNVFT-QFIPXVFZSA-N 1 0 455.606 4.890 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)c1cccc(F)c1 ZINC001440673723 1065961640 /nfs/dbraw/zinc/96/16/40/1065961640.db2.gz IFSABSYQOUMWEO-JPYJTQIMSA-N 1 0 455.574 4.864 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1cccc(F)c1 ZINC001440670626 1065961836 /nfs/dbraw/zinc/96/18/36/1065961836.db2.gz CCRRGZNXAHLFMU-FQEVSTJZSA-N 1 0 458.331 4.808 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1cccc(F)c1 ZINC001440675835 1065962262 /nfs/dbraw/zinc/96/22/62/1065962262.db2.gz NJNOTJZCWHUBJG-HSZRJFAPSA-N 1 0 454.929 4.508 20 0 JJADRO COc1cccc([C@@H](CNC(=O)c2ccsc2NC(=O)c2ccccc2Cl)[NH+](C)C)c1 ZINC001440674857 1065962332 /nfs/dbraw/zinc/96/23/32/1065962332.db2.gz LIWLTBGVOBNYLS-HXUWFJFHSA-N 1 0 457.983 4.695 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2ccsc2NC(=O)c2ccccc2Cl)[NH+](C)C)c1 ZINC001440674851 1065962467 /nfs/dbraw/zinc/96/24/67/1065962467.db2.gz LIWLTBGVOBNYLS-FQEVSTJZSA-N 1 0 457.983 4.695 20 0 JJADRO CCc1ccc([C@H](CNC(=O)c2ccc(Br)cc2Br)[NH+](C)C)cc1 ZINC001440675623 1065962530 /nfs/dbraw/zinc/96/25/30/1065962530.db2.gz WVRZSIKWXBNXOM-SFHVURJKSA-N 1 0 454.206 4.807 20 0 JJADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)c(I)c1 ZINC001440676162 1065963352 /nfs/dbraw/zinc/96/33/52/1065963352.db2.gz XJYPADGAMBURCL-SFHVURJKSA-N 1 0 454.739 4.512 20 0 JJADRO CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001440683238 1065965834 /nfs/dbraw/zinc/96/58/34/1065965834.db2.gz XXICMAGDKLCJEA-UWJYYQICSA-N 1 0 452.039 4.750 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001360851846 1065966125 /nfs/dbraw/zinc/96/61/25/1065966125.db2.gz SIALXSDIUKUNQA-HXUWFJFHSA-N 1 0 473.394 4.594 20 0 JJADRO CC1=C(Br)CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001360851962 1065966550 /nfs/dbraw/zinc/96/65/50/1065966550.db2.gz UJHKZCCGAVPZRT-UHFFFAOYSA-N 1 0 462.823 4.739 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cs1 ZINC001360853538 1065969714 /nfs/dbraw/zinc/96/97/14/1065969714.db2.gz GMYWQSWWZCDACA-UHFFFAOYSA-N 1 0 493.519 4.635 20 0 JJADRO CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360853550 1065969785 /nfs/dbraw/zinc/96/97/85/1065969785.db2.gz GVOHFZYRADBJIP-KDURUIRLSA-N 1 0 487.490 4.511 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440731110 1065971311 /nfs/dbraw/zinc/97/13/11/1065971311.db2.gz AXBMZCRIYIKGDV-IFXJQAMLSA-N 1 0 456.940 4.772 20 0 JJADRO O=C(COc1ccc2ccccc2c1Br)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001440727839 1065971421 /nfs/dbraw/zinc/97/14/21/1065971421.db2.gz OHZSCRUPNOHZIE-UHFFFAOYSA-N 1 0 453.380 4.716 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)nc2ccc(Br)cc21)Cc1ccccc1 ZINC001440737148 1065973328 /nfs/dbraw/zinc/97/33/28/1065973328.db2.gz ISWYQUOCQUVKIG-FQEVSTJZSA-N 1 0 454.412 4.989 20 0 JJADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)ccc1OC1CCCC1 ZINC001440744109 1065974822 /nfs/dbraw/zinc/97/48/22/1065974822.db2.gz DBSIMUTWUAOZHS-UHFFFAOYSA-N 1 0 456.030 4.599 20 0 JJADRO CC(C)(C)c1ccc(CSCC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001440743836 1065974923 /nfs/dbraw/zinc/97/49/23/1065974923.db2.gz GKCQWHUAUZCHHX-UHFFFAOYSA-N 1 0 453.696 4.541 20 0 JJADRO CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001440742560 1065975096 /nfs/dbraw/zinc/97/50/96/1065975096.db2.gz RTSIGMQZAWQSQV-TYPHKJRUSA-N 1 0 450.023 4.629 20 0 JJADRO Cc1cccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CCC[NH+]2CCCCC2)c1 ZINC001360857527 1065975347 /nfs/dbraw/zinc/97/53/47/1065975347.db2.gz CBYSYTLGYHTWBY-UHFFFAOYSA-N 1 0 488.474 4.921 20 0 JJADRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440746497 1065975365 /nfs/dbraw/zinc/97/53/65/1065975365.db2.gz LBMUCNNNFJNHSJ-WOJBJXKFSA-N 1 0 451.558 4.507 20 0 JJADRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440746476 1065975412 /nfs/dbraw/zinc/97/54/12/1065975412.db2.gz LBMUCNNNFJNHSJ-PMACEKPBSA-N 1 0 451.558 4.507 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001360862955 1065981765 /nfs/dbraw/zinc/98/17/65/1065981765.db2.gz ZCGQLIPMWYTZLT-HXUWFJFHSA-N 1 0 489.668 4.542 20 0 JJADRO Cc1ccc(C2(C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)CCCCC2)c(Br)c1 ZINC001440830530 1065982601 /nfs/dbraw/zinc/98/26/01/1065982601.db2.gz URTHZVDLGLHSNG-OALUTQOASA-N 1 0 451.449 4.575 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360865819 1065985998 /nfs/dbraw/zinc/98/59/98/1065985998.db2.gz JAFBEOWIKRJODG-CVDCTZTESA-N 1 0 479.673 4.506 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCSCC1 ZINC001360865972 1065986589 /nfs/dbraw/zinc/98/65/89/1065986589.db2.gz KSJDZMIIKREGKJ-NRFANRHFSA-N 1 0 469.655 4.622 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)c1cccc(OC)c1 ZINC001440876448 1065988251 /nfs/dbraw/zinc/98/82/51/1065988251.db2.gz KITATDMADJWSCB-WBADGQHESA-N 1 0 457.412 4.543 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)C1(c2cccc(OC(F)(F)F)c2)CC1)c1cccc(OC)c1 ZINC001440884880 1065989998 /nfs/dbraw/zinc/98/99/98/1065989998.db2.gz ZOBIEISKJZAMMV-OAQYLSRUSA-N 1 0 450.501 4.825 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC001360868368 1065991503 /nfs/dbraw/zinc/99/15/03/1065991503.db2.gz CJOBCKPUCIRJEL-RPWUZVMVSA-N 1 0 493.700 4.773 20 0 JJADRO COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(CC[NH+](C)C)cc1)CC2 ZINC001440903518 1065993356 /nfs/dbraw/zinc/99/33/56/1065993356.db2.gz VVVRTYAZUDSSSL-VWLOTQADSA-N 1 0 450.604 4.657 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001360869088 1065995850 /nfs/dbraw/zinc/99/58/50/1065995850.db2.gz MAKIQCLFFKSXQQ-XZOQPEGZSA-N 1 0 477.657 4.582 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[NH+]2CCCC2)c1C ZINC001360869212 1065996464 /nfs/dbraw/zinc/99/64/64/1065996464.db2.gz MTAQXVXSRDWXEF-QFIPXVFZSA-N 1 0 477.657 4.681 20 0 JJADRO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC001441002311 1065999278 /nfs/dbraw/zinc/99/92/78/1065999278.db2.gz MWUJZJGCIKJWAE-LJQANCHMSA-N 1 0 454.011 4.936 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2CCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001360869889 1066000196 /nfs/dbraw/zinc/00/01/96/1066000196.db2.gz RQGPWQPQPULWLN-IRLDBZIGSA-N 1 0 466.630 4.924 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC001441011511 1066000342 /nfs/dbraw/zinc/00/03/42/1066000342.db2.gz XVJBDVGSQBFYGB-QFIPXVFZSA-N 1 0 457.412 4.920 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CCCC3)n2CC[NH+]2CCSCC2)c1C ZINC001360869904 1066000397 /nfs/dbraw/zinc/00/03/97/1066000397.db2.gz RWMLLYSPBKTQLE-NRFANRHFSA-N 1 0 457.688 4.710 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545937956 1066005713 /nfs/dbraw/zinc/00/57/13/1066005713.db2.gz FZSCLZFDCOMYKX-RZUBCFFCSA-N 1 0 492.778 4.531 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)CC[C@@H]3C)n2CC2([NH+](C)C)CCOCC2)c1C ZINC001360871765 1066006000 /nfs/dbraw/zinc/00/60/00/1066006000.db2.gz ZZEZEJAOBGLTNC-UNWVZKJWSA-N 1 0 469.674 4.771 20 0 JJADRO CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1Cl ZINC001441091803 1066007051 /nfs/dbraw/zinc/00/70/51/1066007051.db2.gz RUGFJUUMZWUGJV-LEWJYISDSA-N 1 0 476.042 4.588 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1C ZINC001360872877 1066007275 /nfs/dbraw/zinc/00/72/75/1066007275.db2.gz AMNKUGAUTHIRDU-RPBOFIJWSA-N 1 0 496.744 4.933 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@](C)(O)C2CC2)c1C ZINC001360872831 1066007301 /nfs/dbraw/zinc/00/73/01/1066007301.db2.gz BHLZHJKDXIENQT-DWACAAAGSA-N 1 0 483.701 4.753 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CCCO)CC3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001360873749 1066010318 /nfs/dbraw/zinc/01/03/18/1066010318.db2.gz KKEVLCDAHJYRAB-GGAORHGYSA-N 1 0 469.674 4.508 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(CCCO)CC3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360873751 1066010583 /nfs/dbraw/zinc/01/05/83/1066010583.db2.gz KKEVLCDAHJYRAB-JTHBVZDNSA-N 1 0 469.674 4.508 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1C ZINC001360873973 1066011298 /nfs/dbraw/zinc/01/12/98/1066011298.db2.gz IYLUDAMJTIMILT-SDUSCBPUSA-N 1 0 483.701 4.898 20 0 JJADRO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001441173569 1066011386 /nfs/dbraw/zinc/01/13/86/1066011386.db2.gz IAAADDBFXDZULP-UHFFFAOYSA-N 1 0 457.018 4.697 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)c1C ZINC001360874272 1066012706 /nfs/dbraw/zinc/01/27/06/1066012706.db2.gz NLLVBONDYXKTEU-UPVQGACJSA-N 1 0 483.701 4.876 20 0 JJADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1 ZINC001441185461 1066013193 /nfs/dbraw/zinc/01/31/93/1066013193.db2.gz ITUUTHNDOXFAHE-UHFFFAOYSA-N 1 0 453.011 4.938 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CC[NH+]2CCSCC2)c1C ZINC001360874722 1066015046 /nfs/dbraw/zinc/01/50/46/1066015046.db2.gz OBNLLNVUHVMRBN-KNQAVFIVSA-N 1 0 457.688 4.710 20 0 JJADRO Cc1c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cnn1C ZINC001360874808 1066015536 /nfs/dbraw/zinc/01/55/36/1066015536.db2.gz UQORUZNAIWTPGJ-HSZRJFAPSA-N 1 0 493.700 4.682 20 0 JJADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001441217131 1066016223 /nfs/dbraw/zinc/01/62/23/1066016223.db2.gz DWRGOZIJEHJSQT-HXUWFJFHSA-N 1 0 455.027 4.707 20 0 JJADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1Br ZINC001441232323 1066017484 /nfs/dbraw/zinc/01/74/84/1066017484.db2.gz UXTVZMWXOAWETA-HNNXBMFYSA-N 1 0 457.290 4.742 20 0 JJADRO CC[C@H](CNC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001441241299 1066019099 /nfs/dbraw/zinc/01/90/99/1066019099.db2.gz NTQUVEKZZVJBLE-YADARESESA-N 1 0 451.611 4.839 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001360875782 1066019490 /nfs/dbraw/zinc/01/94/90/1066019490.db2.gz YWOGDSNSHGGAHB-BJKOFHAPSA-N 1 0 469.674 4.772 20 0 JJADRO CC[C@@H](CNC(=O)c1cc(-c2cccc(Br)c2)no1)[N@@H+]1CCc2ccccc2C1 ZINC001441247073 1066020148 /nfs/dbraw/zinc/02/01/48/1066020148.db2.gz YOENYGYYNWDQHX-FQEVSTJZSA-N 1 0 454.368 4.671 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360876799 1066020883 /nfs/dbraw/zinc/02/08/83/1066020883.db2.gz BKYFLCQHKZGPKA-AJTFRIOCSA-N 1 0 469.674 4.507 20 0 JJADRO CCOc1ccccc1-c1cccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC001441252556 1066021204 /nfs/dbraw/zinc/02/12/04/1066021204.db2.gz ZUBGBZQTQRLNLM-MHZLTWQESA-N 1 0 457.618 4.861 20 0 JJADRO CCCOc1ccc(-c2nc(C(=O)Nc3ccc(CN4CC[NH+](C)CC4)cc3)cs2)cc1 ZINC001441294848 1066023378 /nfs/dbraw/zinc/02/33/78/1066023378.db2.gz MDSJLDSEMUVZTC-UHFFFAOYSA-N 1 0 450.608 4.599 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2C[C@H](c2ccsc2)[NH+](C)C)c1C ZINC001360877906 1066024365 /nfs/dbraw/zinc/02/43/65/1066024365.db2.gz PSHSHKCRAIKGOS-IFMALSPDSA-N 1 0 469.655 4.626 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001545940104 1066025443 /nfs/dbraw/zinc/02/54/43/1066025443.db2.gz RVYOEDSITGEVNS-JOCHJYFZSA-N 1 0 490.762 4.717 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)/C(F)=C/c3ccc(F)c(C(F)(F)F)c3)cc2)CC1 ZINC001441314185 1066025992 /nfs/dbraw/zinc/02/59/92/1066025992.db2.gz NVNBGQHXWZPJDP-STZFKDTASA-N 1 0 453.455 4.931 20 0 JJADRO Cc1cc(C)c(OCC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC001441314559 1066026026 /nfs/dbraw/zinc/02/60/26/1066026026.db2.gz PWVXSYVRLQGLKJ-UHFFFAOYSA-N 1 0 457.618 4.629 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(OCc4ccccc4)cs3)cc2)C[C@@H](C)O1 ZINC001441317372 1066026679 /nfs/dbraw/zinc/02/66/79/1066026679.db2.gz GCTXAYQUDAFWBV-WOJBJXKFSA-N 1 0 450.604 4.866 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCSCC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1C ZINC001360879065 1066028549 /nfs/dbraw/zinc/02/85/49/1066028549.db2.gz FMOOHTKCLJJSGH-NRFANRHFSA-N 1 0 457.688 4.710 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCSCC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1C ZINC001360879066 1066028633 /nfs/dbraw/zinc/02/86/33/1066028633.db2.gz FMOOHTKCLJJSGH-OAQYLSRUSA-N 1 0 457.688 4.710 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c1C ZINC001360879489 1066030640 /nfs/dbraw/zinc/03/06/40/1066030640.db2.gz LRVVJGRHKAPVDZ-FUPPJEDESA-N 1 0 455.647 4.525 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360879497 1066030790 /nfs/dbraw/zinc/03/07/90/1066030790.db2.gz LSGHPGVNLXJXHJ-FUPPJEDESA-N 1 0 499.700 4.538 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001441353731 1066032654 /nfs/dbraw/zinc/03/26/54/1066032654.db2.gz JEXWMPNTZPWOBC-NZQKXSOJSA-N 1 0 455.643 4.714 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC001441358297 1066033532 /nfs/dbraw/zinc/03/35/32/1066033532.db2.gz SSZMRBDVSUPJBH-MRXNPFEDSA-N 1 0 458.484 4.917 20 0 JJADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001360881072 1066033996 /nfs/dbraw/zinc/03/39/96/1066033996.db2.gz GQAUSHWPBKEFTP-HSZRJFAPSA-N 1 0 464.658 4.814 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(Nc3ccn(C)n3)n2CCC[NH+]2CCC(C)CC2)c1C ZINC001360881241 1066034102 /nfs/dbraw/zinc/03/41/02/1066034102.db2.gz IYAYIEPSOLKIIR-OAQYLSRUSA-N 1 0 451.619 4.634 20 0 JJADRO CC1CC[NH+](CCNC(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 ZINC001441363031 1066035061 /nfs/dbraw/zinc/03/50/61/1066035061.db2.gz RXZYBTSQDOJQHI-LJQANCHMSA-N 1 0 458.430 4.750 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cc4ccccc4cc3OC(F)F)cc2)CC1 ZINC001441364374 1066035145 /nfs/dbraw/zinc/03/51/45/1066035145.db2.gz JOYAYLVOFXLDBC-UHFFFAOYSA-N 1 0 453.533 4.509 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(Nc3cnn(C)c3)n2C[C@H](C)C[NH+]2CCCCC2)c1C ZINC001360882042 1066035288 /nfs/dbraw/zinc/03/52/88/1066035288.db2.gz VNLDMXVGOFIDIL-WIYYLYMNSA-N 1 0 451.619 4.634 20 0 JJADRO CC1=C(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001360883820 1066038124 /nfs/dbraw/zinc/03/81/24/1066038124.db2.gz YDMFIZVBLFSPHB-HXUWFJFHSA-N 1 0 474.049 4.729 20 0 JJADRO CC1=C(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCCCC2)CC1 ZINC001360887874 1066041065 /nfs/dbraw/zinc/04/10/65/1066041065.db2.gz JDHDJQIDTPHIEA-UHFFFAOYSA-N 1 0 486.705 4.815 20 0 JJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001441441515 1066041396 /nfs/dbraw/zinc/04/13/96/1066041396.db2.gz BRHVVCHPNPIGHE-UHFFFAOYSA-N 1 0 453.583 4.910 20 0 JJADRO CCOc1ccc(Br)c(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)c1F ZINC001441447500 1066041850 /nfs/dbraw/zinc/04/18/50/1066041850.db2.gz RJZZRFPBAVZTKK-UHFFFAOYSA-N 1 0 453.352 4.960 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2c3ccccc3nc2C(F)(F)F)C1 ZINC001441451005 1066042233 /nfs/dbraw/zinc/04/22/33/1066042233.db2.gz SQURXDXDILRIAD-QZTJIDSGSA-N 1 0 458.528 4.849 20 0 JJADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001441459101 1066042417 /nfs/dbraw/zinc/04/24/17/1066042417.db2.gz DCVQSWWFWAHHGX-SFTDATJTSA-N 1 0 450.623 4.979 20 0 JJADRO CC[N@H+](CC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CC1 ZINC001441459590 1066042498 /nfs/dbraw/zinc/04/24/98/1066042498.db2.gz AXDOGKZJDUWWAE-HXUWFJFHSA-N 1 0 452.451 4.755 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)cc2)C1 ZINC001441461499 1066042985 /nfs/dbraw/zinc/04/29/85/1066042985.db2.gz JFPXDNHHTRBADO-RTBURBONSA-N 1 0 455.599 4.712 20 0 JJADRO C[N@H+](CC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CCC1 ZINC001441462996 1066043250 /nfs/dbraw/zinc/04/32/50/1066043250.db2.gz HJTCDGLGUWSJDF-HXUWFJFHSA-N 1 0 452.451 4.755 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC001441469806 1066044027 /nfs/dbraw/zinc/04/40/27/1066044027.db2.gz XKNGOLGLWZUOBQ-YDLSIGKMSA-N 1 0 457.659 4.720 20 0 JJADRO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360892411 1066044445 /nfs/dbraw/zinc/04/44/45/1066044445.db2.gz WXVNAEGUQZNWGA-SZPZYZBQSA-N 1 0 451.659 4.814 20 0 JJADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC001360894412 1066046803 /nfs/dbraw/zinc/04/68/03/1066046803.db2.gz AQPGLOUSNFNGNV-UHFFFAOYSA-N 1 0 452.555 4.938 20 0 JJADRO CC1CC[NH+](CCCCNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC001441499808 1066047137 /nfs/dbraw/zinc/04/71/37/1066047137.db2.gz XGKGKKOZDSOOKW-UHFFFAOYSA-N 1 0 454.562 4.612 20 0 JJADRO Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2)cc1 ZINC001441525852 1066048233 /nfs/dbraw/zinc/04/82/33/1066048233.db2.gz UBLGCRKMSZHCBQ-LADGPHEKSA-N 1 0 451.611 4.529 20 0 JJADRO Cc1nc(CCn2c(CC(C)C)nnc2N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)sc1C ZINC001360898779 1066051831 /nfs/dbraw/zinc/05/18/31/1066051831.db2.gz CPAWYIMWNUQXTB-HSZRJFAPSA-N 1 0 466.699 4.751 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC001441609711 1066053264 /nfs/dbraw/zinc/05/32/64/1066053264.db2.gz FYLNUFBKAHSUSR-QFIPXVFZSA-N 1 0 458.027 4.726 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001545943196 1066054259 /nfs/dbraw/zinc/05/42/59/1066054259.db2.gz WLASEFWXIBOYGA-ZLNRFVROSA-N 1 0 498.672 4.503 20 0 JJADRO Cc1nc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC([NH2+]C(C)C)CC2)sc1C ZINC001360901445 1066054981 /nfs/dbraw/zinc/05/49/81/1066054981.db2.gz RCEXRCDIYXGAEP-UHFFFAOYSA-N 1 0 476.597 4.635 20 0 JJADRO C[NH+](C)CCc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)c1 ZINC001441620932 1066055132 /nfs/dbraw/zinc/05/51/32/1066055132.db2.gz IYAYAHDFCSXLJL-UHFFFAOYSA-N 1 0 453.945 4.766 20 0 JJADRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001441623179 1066055507 /nfs/dbraw/zinc/05/55/07/1066055507.db2.gz NYDSSCYHEPORCN-DEOSSOPVSA-N 1 0 451.611 4.679 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001441639383 1066056846 /nfs/dbraw/zinc/05/68/46/1066056846.db2.gz GTOVOFFLGQWXFD-FYYLOGMGSA-N 1 0 457.659 4.749 20 0 JJADRO Cc1nc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)sc1C ZINC001360904906 1066058643 /nfs/dbraw/zinc/05/86/43/1066058643.db2.gz HPWUDLIXEZKMAG-UHFFFAOYSA-N 1 0 475.062 4.553 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H]2CCOC2)n1CC[NH+](C(C)C)C(C)C ZINC001360907287 1066061729 /nfs/dbraw/zinc/06/17/29/1066061729.db2.gz AUTVTFLCHFRFMJ-NRFANRHFSA-N 1 0 468.671 4.721 20 0 JJADRO CC[C@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC001441708597 1066063171 /nfs/dbraw/zinc/06/31/71/1066063171.db2.gz FTWWHAWVZPYVNZ-QHCPKHFHSA-N 1 0 458.444 4.661 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001360908998 1066064823 /nfs/dbraw/zinc/06/48/23/1066064823.db2.gz UQUTWYBLQMPKBO-RBBKRZOGSA-N 1 0 482.698 4.826 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)Cc2cnccn2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001360908989 1066064836 /nfs/dbraw/zinc/06/48/36/1066064836.db2.gz UHJYAXWKGOWHHD-JOCHJYFZSA-N 1 0 490.681 4.780 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC001360909664 1066065857 /nfs/dbraw/zinc/06/58/57/1066065857.db2.gz ZDBSAROXQXNFFP-QFIPXVFZSA-N 1 0 451.611 4.947 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCCOCC2)n1CC[NH+](C(C)C)C(C)C ZINC001360910305 1066066099 /nfs/dbraw/zinc/06/60/99/1066066099.db2.gz BXJAHUSZHKTARM-UHFFFAOYSA-N 1 0 468.671 4.723 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC(C)(C)C[NH+](C)C ZINC001360910593 1066067058 /nfs/dbraw/zinc/06/70/58/1066067058.db2.gz KJGZUKBWKVIJIN-ROUUACIJSA-N 1 0 468.671 4.578 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CC(C)(C)C[NH+](C)C ZINC001360910592 1066067137 /nfs/dbraw/zinc/06/71/37/1066067137.db2.gz KJGZUKBWKVIJIN-QZTJIDSGSA-N 1 0 468.671 4.578 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC(F)(F)F ZINC001360910828 1066067340 /nfs/dbraw/zinc/06/73/40/1066067340.db2.gz QKMRCARAIAUECS-UHFFFAOYSA-N 1 0 464.561 4.906 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(CO)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001360910857 1066067482 /nfs/dbraw/zinc/06/74/82/1066067482.db2.gz RHFQPVHNKPEDRL-JOCHJYFZSA-N 1 0 482.698 4.562 20 0 JJADRO Cc1n[nH]cc1CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001360913225 1066069895 /nfs/dbraw/zinc/06/98/95/1066069895.db2.gz QCLBTICWBYEFMX-UHFFFAOYSA-N 1 0 488.055 4.960 20 0 JJADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@H](C)C1 ZINC001360913833 1066070346 /nfs/dbraw/zinc/07/03/46/1066070346.db2.gz KDTVIPOSRKRAKB-IIBYNOLFSA-N 1 0 458.400 4.504 20 0 JJADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1(c2cccc(Br)c2)CCCCC1 ZINC001441812859 1066071941 /nfs/dbraw/zinc/07/19/41/1066071941.db2.gz FKJHHLZNVUPDJZ-UHFFFAOYSA-N 1 0 456.428 4.827 20 0 JJADRO Cc1cc(OC(C)C)ccc1NC(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001441819583 1066073670 /nfs/dbraw/zinc/07/36/70/1066073670.db2.gz QTDGGZRZUHCFFQ-QHCPKHFHSA-N 1 0 455.599 4.746 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC)[NH+]1CCCCC1 ZINC001441878707 1066076102 /nfs/dbraw/zinc/07/61/02/1066076102.db2.gz BYFKUYVYUWPFAG-IBGZPJMESA-N 1 0 456.656 4.770 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC001441893186 1066079667 /nfs/dbraw/zinc/07/96/67/1066079667.db2.gz ZFRHOFQYVIOJFC-BHDDXSALSA-N 1 0 457.412 4.905 20 0 JJADRO CN(c1ccc(NC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001441907596 1066080568 /nfs/dbraw/zinc/08/05/68/1066080568.db2.gz BIPNWDPBFTXFOG-UHFFFAOYSA-N 1 0 452.599 4.745 20 0 JJADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC001360928366 1066084199 /nfs/dbraw/zinc/08/41/99/1066084199.db2.gz FVVLDABCZFHACB-SVBPBHIXSA-N 1 0 455.602 4.843 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001360929317 1066084931 /nfs/dbraw/zinc/08/49/31/1066084931.db2.gz BLVBHCLDSJMTFU-PZJWPPBQSA-N 1 0 485.604 4.596 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c2ccccc2)CC1 ZINC001442068147 1066089131 /nfs/dbraw/zinc/08/91/31/1066089131.db2.gz DRVFZCVDRGCUJU-LJQANCHMSA-N 1 0 453.480 4.564 20 0 JJADRO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)nnn1-c1ccc(F)c(Cl)c1 ZINC001442067871 1066089182 /nfs/dbraw/zinc/08/91/82/1066089182.db2.gz DCTQUXDHQJDPAR-QFIPXVFZSA-N 1 0 455.965 4.571 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+](C)C1CCCCC1 ZINC001360932092 1066089417 /nfs/dbraw/zinc/08/94/17/1066089417.db2.gz FFRJIMIENWMIHO-UHFFFAOYSA-N 1 0 475.435 4.838 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001360932892 1066090587 /nfs/dbraw/zinc/09/05/87/1066090587.db2.gz TZRRJKDJFNUDKW-HXUWFJFHSA-N 1 0 489.462 4.704 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360932891 1066090657 /nfs/dbraw/zinc/09/06/57/1066090657.db2.gz TZRRJKDJFNUDKW-FQEVSTJZSA-N 1 0 489.462 4.704 20 0 JJADRO C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CCCCC1 ZINC001442078142 1066090869 /nfs/dbraw/zinc/09/08/69/1066090869.db2.gz JBHSEPUFLKONOI-NRFANRHFSA-N 1 0 454.014 4.774 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc3cncc(Br)c3n2)c2ccccc2)CC1 ZINC001442081207 1066091084 /nfs/dbraw/zinc/09/10/84/1066091084.db2.gz WUKYAPNMUGMBPO-NRFANRHFSA-N 1 0 453.384 4.595 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC[N@@H+]1C ZINC001360933775 1066092177 /nfs/dbraw/zinc/09/21/77/1066092177.db2.gz MKZGGXVSWSPWNC-QFBILLFUSA-N 1 0 457.500 4.508 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001360944803 1066099811 /nfs/dbraw/zinc/09/98/11/1066099811.db2.gz JSSJZQSQRSBKIE-NRFANRHFSA-N 1 0 474.625 4.669 20 0 JJADRO Cc1occc1CN(C)c1nnc(CCOc2ccccc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001360947557 1066102401 /nfs/dbraw/zinc/10/24/01/1066102401.db2.gz PWGZENDXAXQHAV-OAQYLSRUSA-N 1 0 465.642 4.948 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001360949522 1066105534 /nfs/dbraw/zinc/10/55/34/1066105534.db2.gz JVUTVJVFGBLBNE-OAQYLSRUSA-N 1 0 472.634 4.518 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001442247379 1066107972 /nfs/dbraw/zinc/10/79/72/1066107972.db2.gz BLTQRRLZQNSXPL-MBOZVWFJSA-N 1 0 452.039 4.779 20 0 JJADRO Cc1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1-n1cccn1 ZINC001360951593 1066108467 /nfs/dbraw/zinc/10/84/67/1066108467.db2.gz CUBAPZZYKNRLOI-OAQYLSRUSA-N 1 0 456.512 4.707 20 0 JJADRO CCOc1ncc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1Cl ZINC001360951906 1066108526 /nfs/dbraw/zinc/10/85/26/1066108526.db2.gz MTYOXGLXNJSHJM-KRWDZBQOSA-N 1 0 455.908 4.660 20 0 JJADRO COc1ccccc1SCC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951706 1066108622 /nfs/dbraw/zinc/10/86/22/1066108622.db2.gz GSKUDZABLZEOAI-LJQANCHMSA-N 1 0 452.542 4.700 20 0 JJADRO COc1ccc(SCC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC001360952246 1066109247 /nfs/dbraw/zinc/10/92/47/1066109247.db2.gz ZYFMHFHHSDQWCN-LJQANCHMSA-N 1 0 452.542 4.700 20 0 JJADRO C[C@H](CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442330458 1066117041 /nfs/dbraw/zinc/11/70/41/1066117041.db2.gz CXUUSVNTZXKUFM-HXUWFJFHSA-N 1 0 457.659 4.613 20 0 JJADRO C[N@H+](CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CCCCC1 ZINC001442333994 1066117591 /nfs/dbraw/zinc/11/75/91/1066117591.db2.gz BAXQILPADCCQSD-UHFFFAOYSA-N 1 0 458.400 4.696 20 0 JJADRO CC(C)(CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)[N@@H+]1CCc2ccccc2C1 ZINC001442334828 1066117637 /nfs/dbraw/zinc/11/76/37/1066117637.db2.gz XMIIFAKISDJMDX-UHFFFAOYSA-N 1 0 459.281 4.572 20 0 JJADRO CCc1[nH]c(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)c(C)c1C(=O)OC ZINC001442358468 1066119817 /nfs/dbraw/zinc/11/98/17/1066119817.db2.gz ZFKCQYYERCCNKX-UHFFFAOYSA-N 1 0 454.398 4.573 20 0 JJADRO C[C@@H](C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)n1ccc(C(F)(F)F)n1 ZINC001442358399 1066119901 /nfs/dbraw/zinc/11/99/01/1066119901.db2.gz YGYFOYYMUQZDAF-ZDUSSCGKSA-N 1 0 451.320 4.750 20 0 JJADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001545948561 1066120169 /nfs/dbraw/zinc/12/01/69/1066120169.db2.gz SXYCKUCZRJVNFV-LADGPHEKSA-N 1 0 466.674 4.894 20 0 JJADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001545948560 1066120279 /nfs/dbraw/zinc/12/02/79/1066120279.db2.gz SXYCKUCZRJVNFV-ISKFKSNPSA-N 1 0 466.674 4.894 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001360961491 1066121206 /nfs/dbraw/zinc/12/12/06/1066121206.db2.gz LCVXEDVIPIAXAV-HXUWFJFHSA-N 1 0 453.583 4.845 20 0 JJADRO O=C(c1cccnc1Oc1ccc(Br)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001442476354 1066130423 /nfs/dbraw/zinc/13/04/23/1066130423.db2.gz VJVNRAYBDCIDGD-UHFFFAOYSA-N 1 0 458.400 4.975 20 0 JJADRO CC(C)(C)OC(=O)NCCc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC001442549467 1066135788 /nfs/dbraw/zinc/13/57/88/1066135788.db2.gz KWSKHZQQZWUSES-UHFFFAOYSA-N 1 0 455.624 4.555 20 0 JJADRO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC001442548480 1066135814 /nfs/dbraw/zinc/13/58/14/1066135814.db2.gz ADDQALIBRWGLLH-QFIPXVFZSA-N 1 0 455.624 4.748 20 0 JJADRO CCCc1c(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nnn1-c1cccc(C(C)C)c1 ZINC001442564530 1066138321 /nfs/dbraw/zinc/13/83/21/1066138321.db2.gz ACYFTCNYZMHXDQ-JOCHJYFZSA-N 1 0 451.659 4.927 20 0 JJADRO COc1ccc(C[NH+]2CCC(CNC(=O)COc3ccccc3Cc3ccccc3)CC2)cc1 ZINC001442567406 1066138955 /nfs/dbraw/zinc/13/89/55/1066138955.db2.gz BKYSIIRTRFQVGX-UHFFFAOYSA-N 1 0 458.602 4.693 20 0 JJADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC001442568507 1066138969 /nfs/dbraw/zinc/13/89/69/1066138969.db2.gz HRINIYDVJIRMBF-SQHAQQRYSA-N 1 0 450.623 4.660 20 0 JJADRO Cc1ccc([C@H](CNC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001442591435 1066141361 /nfs/dbraw/zinc/14/13/61/1066141361.db2.gz KFGOHTNEMZIZKP-QPPBQGQZSA-N 1 0 457.659 4.921 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)[NH+]2CCCC2)cc1 ZINC001442592598 1066141641 /nfs/dbraw/zinc/14/16/41/1066141641.db2.gz MAEIJQWOWGMEOU-JOCHJYFZSA-N 1 0 458.393 4.509 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)[NH+]2CCCC2)cc1 ZINC001442593690 1066141810 /nfs/dbraw/zinc/14/18/10/1066141810.db2.gz NQWLUDJDEVZOOX-QHCPKHFHSA-N 1 0 456.030 4.878 20 0 JJADRO CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001442605899 1066144004 /nfs/dbraw/zinc/14/40/04/1066144004.db2.gz YZSSSJDBZJVLOZ-HSZRJFAPSA-N 1 0 455.643 4.859 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCCC[NH+]1CCC(C)CC1 ZINC001360985643 1066148527 /nfs/dbraw/zinc/14/85/27/1066148527.db2.gz HOQUHJVYDQSPSP-DEOSSOPVSA-N 1 0 496.700 4.724 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCCCC1 ZINC001360986177 1066150242 /nfs/dbraw/zinc/15/02/42/1066150242.db2.gz WKLDMRAZOYBXAI-UHFFFAOYSA-N 1 0 468.690 4.823 20 0 JJADRO CC[C@H](Cn1c(C(C)C)nnc1N(CCOC)[C@H]1CC[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545950959 1066153232 /nfs/dbraw/zinc/15/32/32/1066153232.db2.gz ZGFMDXFJAAFRJB-GPUOULLFSA-N 1 0 453.675 4.880 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ccccn2)n1C[C@H](C)[NH+](C)C ZINC001360986636 1066153257 /nfs/dbraw/zinc/15/32/57/1066153257.db2.gz ITFJNPFOICCEOU-RBUKOAKNSA-N 1 0 457.022 4.670 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC001442726809 1066156068 /nfs/dbraw/zinc/15/60/68/1066156068.db2.gz OXPKLDUPGTXTRJ-UHFFFAOYSA-N 1 0 452.279 4.938 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(SC(F)(F)F)o1 ZINC001442731063 1066156432 /nfs/dbraw/zinc/15/64/32/1066156432.db2.gz VSPBASQROQNXQM-UHFFFAOYSA-N 1 0 451.308 4.858 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CC[NH+](CC2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001545951629 1066156873 /nfs/dbraw/zinc/15/68/73/1066156873.db2.gz AMRCYAQSRLMNOC-RBBKRZOGSA-N 1 0 476.710 4.797 20 0 JJADRO CC[C@@H](C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545951628 1066156878 /nfs/dbraw/zinc/15/68/78/1066156878.db2.gz AMRCYAQSRLMNOC-IRLDBZIGSA-N 1 0 476.710 4.797 20 0 JJADRO CC[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccccn1)[NH+]1CCCC1 ZINC001545951748 1066158268 /nfs/dbraw/zinc/15/82/68/1066158268.db2.gz BYACRFHQIZINDC-KNQAVFIVSA-N 1 0 469.033 4.977 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360989332 1066160507 /nfs/dbraw/zinc/16/05/07/1066160507.db2.gz CPOHNOIICDSKIY-VQIMIIECSA-N 1 0 467.992 4.874 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCn2cccn2)n1CC[NH+]1CCCCC1 ZINC001360989381 1066161209 /nfs/dbraw/zinc/16/12/09/1066161209.db2.gz DHKCHIANVKJBLJ-NRFANRHFSA-N 1 0 486.064 4.507 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CCCO)CC2)n1C[C@@H](C)[NH+](C)C ZINC001360989626 1066162460 /nfs/dbraw/zinc/16/24/60/1066162460.db2.gz HXEHELJLEQUZGH-WOJBJXKFSA-N 1 0 478.081 4.627 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001360991612 1066170237 /nfs/dbraw/zinc/17/02/37/1066170237.db2.gz DCUXNOWLWWHSFU-RBBKRZOGSA-N 1 0 478.081 4.890 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001360991613 1066170286 /nfs/dbraw/zinc/17/02/86/1066170286.db2.gz DCUXNOWLWWHSFU-UNMCSNQZSA-N 1 0 478.081 4.890 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CC[NH+]1CCCCC1 ZINC001360992335 1066171521 /nfs/dbraw/zinc/17/15/21/1066171521.db2.gz MZCSPSNRKKODRN-DYXWJJEUSA-N 1 0 464.029 4.968 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360992800 1066172519 /nfs/dbraw/zinc/17/25/19/1066172519.db2.gz UWMYRZDGSMMLDH-YPCDYVTLSA-N 1 0 490.092 4.770 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(Nc2cnn(C)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001360993075 1066172879 /nfs/dbraw/zinc/17/28/79/1066172879.db2.gz XXVUASYXFXBFFG-APWZRJJASA-N 1 0 472.037 4.897 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CC2)c(C)o1 ZINC001360994278 1066173618 /nfs/dbraw/zinc/17/36/18/1066173618.db2.gz GJXPPBKWDKPJMJ-NRFANRHFSA-N 1 0 498.697 4.549 20 0 JJADRO Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC001360998273 1066177542 /nfs/dbraw/zinc/17/75/42/1066177542.db2.gz YGAMXJMCCMRCNF-NDIWIEOSSA-N 1 0 457.663 4.610 20 0 JJADRO Cc1cc([C@@](C)(O)Cn2c(CC3CCCC3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c(C)o1 ZINC001361003122 1066180481 /nfs/dbraw/zinc/18/04/81/1066180481.db2.gz OSPOIOGRIFSCQG-MHZLTWQESA-N 1 0 471.690 4.685 20 0 JJADRO Cc1cccc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001361008709 1066190588 /nfs/dbraw/zinc/19/05/88/1066190588.db2.gz ZZYICFJHXFEFPZ-PKTZIBPZSA-N 1 0 453.675 4.527 20 0 JJADRO Cc1cc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(C)c1 ZINC001361011482 1066194774 /nfs/dbraw/zinc/19/47/74/1066194774.db2.gz UJBPZJJQXWAFLW-UHFFFAOYSA-N 1 0 485.474 4.930 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)C[C@H]1CCC2(CCOCC2)CO1)Cc1ccccc1 ZINC001361013196 1066198174 /nfs/dbraw/zinc/19/81/74/1066198174.db2.gz DIUULPPQZBVNSZ-AREMUKBSSA-N 1 0 450.623 4.513 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC001361015072 1066202984 /nfs/dbraw/zinc/20/29/84/1066202984.db2.gz YPOZRYLAOPYOSG-XMMPIXPASA-N 1 0 480.701 4.599 20 0 JJADRO Cc1cc(C)cc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001361016986 1066205084 /nfs/dbraw/zinc/20/50/84/1066205084.db2.gz ISUONELOJQXSNM-JWQCQUIFSA-N 1 0 467.702 4.834 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccoc3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001361020666 1066210444 /nfs/dbraw/zinc/21/04/44/1066210444.db2.gz CNUWFOYYLGQUSI-QFIPXVFZSA-N 1 0 451.615 4.825 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccco3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001361020769 1066211091 /nfs/dbraw/zinc/21/10/91/1066211091.db2.gz HANPMZYOESIZOI-UHFFFAOYSA-N 1 0 451.615 4.825 20 0 JJADRO CC[NH+](CC)CCOc1cc(NC(=O)/C(C)=C/c2ccc(Br)o2)ccc1OC ZINC001361021038 1066212381 /nfs/dbraw/zinc/21/23/81/1066212381.db2.gz BQMJMHXWQODSEU-FYWRMAATSA-N 1 0 451.361 4.813 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361021176 1066213733 /nfs/dbraw/zinc/21/37/33/1066213733.db2.gz SGUVNFJJMUTEJV-WIYYLYMNSA-N 1 0 468.671 4.687 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccoc3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001361021382 1066214407 /nfs/dbraw/zinc/21/44/07/1066214407.db2.gz WECUNNJJHYQPAU-UHFFFAOYSA-N 1 0 451.615 4.968 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361022560 1066218138 /nfs/dbraw/zinc/21/81/38/1066218138.db2.gz UWLSSXNLRPOFMC-YLJYHZDGSA-N 1 0 467.580 4.983 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361023902 1066220587 /nfs/dbraw/zinc/22/05/87/1066220587.db2.gz FRILZAUHHIHHMC-JYMRHQFYSA-N 1 0 457.688 4.536 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)OC3CCCC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001361024646 1066222712 /nfs/dbraw/zinc/22/27/12/1066222712.db2.gz OCEUALAWPTUGBN-UHFFFAOYSA-N 1 0 455.647 4.906 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001361025081 1066223966 /nfs/dbraw/zinc/22/39/66/1066223966.db2.gz VYCIKEPAMNJKOL-DEOSSOPVSA-N 1 0 496.744 4.620 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cscn1)[NH+]1CCCC1 ZINC001545952040 1066224909 /nfs/dbraw/zinc/22/49/09/1066224909.db2.gz GYZBNYVPLREQLW-YLJYHZDGSA-N 1 0 458.607 4.525 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2OCCC2(C)C)c1 ZINC001361026408 1066226276 /nfs/dbraw/zinc/22/62/76/1066226276.db2.gz BCNNPTQBWQEXSX-VWLOTQADSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361026769 1066227412 /nfs/dbraw/zinc/22/74/12/1066227412.db2.gz FVUFTXQVCKYPCH-LJQANCHMSA-N 1 0 461.601 4.831 20 0 JJADRO CC[C@@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@H]1CCCO1)[NH+]1CCCC1 ZINC001545952262 1066228979 /nfs/dbraw/zinc/22/89/79/1066228979.db2.gz JIJHBGKCPGBHKW-RJGXRXQPSA-N 1 0 455.647 4.525 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@H]1CCCO1)[NH+]1CCCC1 ZINC001545952261 1066229286 /nfs/dbraw/zinc/22/92/86/1066229286.db2.gz JIJHBGKCPGBHKW-DNVJHFABSA-N 1 0 455.647 4.525 20 0 JJADRO O=C(CCCOc1ccccc1Br)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001442844852 1066230952 /nfs/dbraw/zinc/23/09/52/1066230952.db2.gz SQABIUWCBHNESN-UHFFFAOYSA-N 1 0 459.428 4.775 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)c1 ZINC001361027804 1066231254 /nfs/dbraw/zinc/23/12/54/1066231254.db2.gz DJJJUYJRCIXNIS-ZEQRLZLVSA-N 1 0 483.701 4.846 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3c(Cl)cccc3OCC3CC3)C2)ccn1 ZINC001454015083 1066234982 /nfs/dbraw/zinc/23/49/82/1066234982.db2.gz QNAKRZJCYIZRCJ-OAQYLSRUSA-N 1 0 458.002 4.658 20 0 JJADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)Cc3ccccc3Oc3ccc(C)cc3)C2)ccn1 ZINC001454018450 1066235981 /nfs/dbraw/zinc/23/59/81/1066235981.db2.gz XGTORBHWAUMIOW-AREMUKBSSA-N 1 0 459.590 4.856 20 0 JJADRO CCCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001442879727 1066236448 /nfs/dbraw/zinc/23/64/48/1066236448.db2.gz QVUSEFYTBHEWGL-PKTZIBPZSA-N 1 0 457.659 4.783 20 0 JJADRO CCOc1ccc([C@@]2(C(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCCC3)CC2(Cl)Cl)cc1 ZINC001442891151 1066237725 /nfs/dbraw/zinc/23/77/25/1066237725.db2.gz XSISSGMPJSGDPW-DENIHFKCSA-N 1 0 451.394 4.755 20 0 JJADRO Cc1cc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c(C)n1[C@H]1CCCOC1 ZINC001442911215 1066239491 /nfs/dbraw/zinc/23/94/91/1066239491.db2.gz WZFHEFWRDSPZHB-QHCPKHFHSA-N 1 0 452.599 4.523 20 0 JJADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001442932068 1066243249 /nfs/dbraw/zinc/24/32/49/1066243249.db2.gz CEOIHDGEAHXINO-GOSISDBHSA-N 1 0 453.327 4.721 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3c3cnn(C)c3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001361032052 1066244384 /nfs/dbraw/zinc/24/43/84/1066244384.db2.gz JLGNSFJDIZNSPQ-ZCYQVOJMSA-N 1 0 479.673 4.525 20 0 JJADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001442974368 1066248273 /nfs/dbraw/zinc/24/82/73/1066248273.db2.gz QWCHCALKJIMFSW-QGZVFWFLSA-N 1 0 451.355 4.988 20 0 JJADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CC1 ZINC001454150098 1066250024 /nfs/dbraw/zinc/25/00/24/1066250024.db2.gz HCCZHPLHWHMMHB-UHFFFAOYSA-N 1 0 451.394 4.998 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccc(C)nc2)c1 ZINC001361034740 1066250874 /nfs/dbraw/zinc/25/08/74/1066250874.db2.gz CGFXNHFASUJUKE-UHFFFAOYSA-N 1 0 462.642 4.536 20 0 JJADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001443009856 1066252536 /nfs/dbraw/zinc/25/25/36/1066252536.db2.gz HAIDHAXBRZPKIM-UHFFFAOYSA-N 1 0 456.562 4.571 20 0 JJADRO CC[C@H](C)c1nnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545953130 1066254108 /nfs/dbraw/zinc/25/41/08/1066254108.db2.gz UKKRKAAURUHFJF-XGAJZPNHSA-N 1 0 496.700 4.663 20 0 JJADRO O=C(c1ccc(-c2ccc(Br)cc2)s1)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001454261006 1066258812 /nfs/dbraw/zinc/25/88/12/1066258812.db2.gz ORPRDRQECBPLSC-IBGZPJMESA-N 1 0 459.384 4.973 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001361039201 1066259610 /nfs/dbraw/zinc/25/96/10/1066259610.db2.gz ADEXAZXZRKYSMZ-ZCNNSNEGSA-N 1 0 461.601 4.684 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@H]3C)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001361039212 1066259960 /nfs/dbraw/zinc/25/99/60/1066259960.db2.gz AOBOJORSRSCEGV-JOCHJYFZSA-N 1 0 459.704 4.925 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(Nc3cnn([C@@H]4CC4(F)F)c3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361039564 1066261039 /nfs/dbraw/zinc/26/10/39/1066261039.db2.gz MHJLUKYBDIPAEO-HXUWFJFHSA-N 1 0 473.572 4.582 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(Nc3cnn([C@H]4CC4(F)F)c3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361039563 1066261149 /nfs/dbraw/zinc/26/11/49/1066261149.db2.gz MHJLUKYBDIPAEO-FQEVSTJZSA-N 1 0 473.572 4.582 20 0 JJADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001454268899 1066261505 /nfs/dbraw/zinc/26/15/05/1066261505.db2.gz LOHOOZGJOFGXAQ-OPAMFIHVSA-N 1 0 453.435 4.569 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C)[C@@H]3C)n2CC[NH+]2CCCCCC2)c1 ZINC001361039800 1066262364 /nfs/dbraw/zinc/26/23/64/1066262364.db2.gz UWOJXWGVMFXWOM-FCHUYYIVSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSCC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001361039886 1066262433 /nfs/dbraw/zinc/26/24/33/1066262433.db2.gz YHRFBAXLSGQDPA-CLOONOSVSA-N 1 0 457.688 4.538 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSCC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001361039775 1066262602 /nfs/dbraw/zinc/26/26/02/1066262602.db2.gz UCGLHICMLSPIFM-FGZHOGPDSA-N 1 0 471.715 4.784 20 0 JJADRO Cc1cc(C)cc(OCCn2c(Cc3ccncc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001361042291 1066266092 /nfs/dbraw/zinc/26/60/92/1066266092.db2.gz AGNYVHSZDDAXCF-UHFFFAOYSA-N 1 0 476.669 4.518 20 0 JJADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)CC1 ZINC001443101879 1066267944 /nfs/dbraw/zinc/26/79/44/1066267944.db2.gz ITDGDLJEPRLWKW-UHFFFAOYSA-N 1 0 455.643 4.585 20 0 JJADRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cnc(-c4ccccc4Br)s3)C2)c1 ZINC001454310761 1066268700 /nfs/dbraw/zinc/26/87/00/1066268700.db2.gz IOOJOEWDWIYRLA-QGZVFWFLSA-N 1 0 456.409 4.885 20 0 JJADRO CC[C@@]1(C)CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CCC[N@@H+](C(C)C)CC2)O1 ZINC001546059912 1066270799 /nfs/dbraw/zinc/27/07/99/1066270799.db2.gz SMUSSNJZKLDDKO-RLWLMLJZSA-N 1 0 487.714 4.847 20 0 JJADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC001443152832 1066274346 /nfs/dbraw/zinc/27/43/46/1066274346.db2.gz CQYCFJGOEGJBEL-QFIPXVFZSA-N 1 0 458.484 4.932 20 0 JJADRO 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C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001454396556 1066277805 /nfs/dbraw/zinc/27/78/05/1066277805.db2.gz BSUDSPQPZUDIIJ-JTSKRJEESA-N 1 0 457.496 4.816 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001361048542 1066277784 /nfs/dbraw/zinc/27/77/84/1066277784.db2.gz XKXOVVYDICZBQX-AYVPJYCDSA-N 1 0 457.659 4.877 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001361048544 1066277890 /nfs/dbraw/zinc/27/78/90/1066277890.db2.gz XKXOVVYDICZBQX-CAUSLRQDSA-N 1 0 457.659 4.877 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001454402731 1066278157 /nfs/dbraw/zinc/27/81/57/1066278157.db2.gz LAVBJVDDSMOIRU-ZDJNHPEVSA-N 1 0 455.643 4.537 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001361048662 1066278239 /nfs/dbraw/zinc/27/82/39/1066278239.db2.gz ZVIHBXYUNFBZSY-HUVFLSCGSA-N 1 0 457.659 4.877 20 0 JJADRO Cc1nc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC001454404747 1066279172 /nfs/dbraw/zinc/27/91/72/1066279172.db2.gz MQXHQKIRJKFUEW-YWZLYKJASA-N 1 0 458.393 4.523 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001454407786 1066280175 /nfs/dbraw/zinc/28/01/75/1066280175.db2.gz RQTMLKIBLDVNBU-AUUYWEPGSA-N 1 0 451.792 4.752 20 0 JJADRO Cc1cc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCOC(C)(C)C)c2ccccc2n1 ZINC001361049351 1066281380 /nfs/dbraw/zinc/28/13/80/1066281380.db2.gz AVBPKXHEHNUWFX-UHFFFAOYSA-N 1 0 450.631 4.537 20 0 JJADRO CC[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCSC(C)(C)C1)[NH+]1CCCC1 ZINC001545955440 1066283552 /nfs/dbraw/zinc/28/35/52/1066283552.db2.gz VEYVPMDOZATNGP-OALUTQOASA-N 1 0 461.651 4.763 20 0 JJADRO CC[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCSC(C)(C)C1)[NH+]1CCCC1 ZINC001545955439 1066283731 /nfs/dbraw/zinc/28/37/31/1066283731.db2.gz VEYVPMDOZATNGP-MOPGFXCFSA-N 1 0 461.651 4.763 20 0 JJADRO Cc1cc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001361050290 1066284198 /nfs/dbraw/zinc/28/41/98/1066284198.db2.gz WSZKXMBXKFEAFT-QFIPXVFZSA-N 1 0 464.658 4.783 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cncnc2-c2ccccc2)CC1 ZINC001443265316 1066287162 /nfs/dbraw/zinc/28/71/62/1066287162.db2.gz LQVZIIPZGBXBTN-UHFFFAOYSA-N 1 0 454.496 4.899 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001546061922 1066287304 /nfs/dbraw/zinc/28/73/04/1066287304.db2.gz HULMZSGAEMJUNE-QFWMQHCXSA-N 1 0 461.651 4.621 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(P(C)(C)=O)cc2)CC1 ZINC001443268608 1066287953 /nfs/dbraw/zinc/28/79/53/1066287953.db2.gz SYDJKMRDESTIRE-UHFFFAOYSA-N 1 0 452.457 4.690 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1F)[NH+]1CCCC1 ZINC001545956395 1066288586 /nfs/dbraw/zinc/28/85/86/1066288586.db2.gz BTKFZHURLKXSHR-LJQANCHMSA-N 1 0 489.437 4.696 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@H](C)C2)no1 ZINC001361053193 1066289067 /nfs/dbraw/zinc/28/90/67/1066289067.db2.gz BMPCIWHXMGPBOS-PKOBYXMFSA-N 1 0 473.021 4.736 20 0 JJADRO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2CC[N@H+](C)C2CCCC2)no1 ZINC001361054839 1066291199 /nfs/dbraw/zinc/29/11/99/1066291199.db2.gz IHHPLWDXIZAPID-UHFFFAOYSA-N 1 0 479.448 4.576 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CCC1CC1)[NH+]1CCCC1 ZINC001545956818 1066292537 /nfs/dbraw/zinc/29/25/37/1066292537.db2.gz JNFBFZGEWOWGQR-IBGZPJMESA-N 1 0 463.468 4.547 20 0 JJADRO Cc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361056072 1066295154 /nfs/dbraw/zinc/29/51/54/1066295154.db2.gz BEDVADRUWSKIKA-WOJBJXKFSA-N 1 0 483.060 4.826 20 0 JJADRO CC(=O)Nc1ccccc1C(F)(F)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001443351758 1066298471 /nfs/dbraw/zinc/29/84/71/1066298471.db2.gz BPPOZLWPEXEJAB-UHFFFAOYSA-N 1 0 457.565 4.588 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(CCC(C)C)C1CC1)[NH+]1CCCC1 ZINC001545957459 1066301956 /nfs/dbraw/zinc/30/19/56/1066301956.db2.gz WNLQZPCLYSXOLY-LJQANCHMSA-N 1 0 477.495 4.935 20 0 JJADRO Cc1cc(CN(C)c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCC[C@H](C)C2)no1 ZINC001361063094 1066302249 /nfs/dbraw/zinc/30/22/49/1066302249.db2.gz DXLWVTLARNYOTK-FQEVSTJZSA-N 1 0 450.631 4.622 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCCCCC2)no1 ZINC001361064395 1066303874 /nfs/dbraw/zinc/30/38/74/1066303874.db2.gz CHKVBGGJVOOTJD-UHFFFAOYSA-N 1 0 480.657 4.963 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(C(F)(F)F)c(F)c2C)cc1OC ZINC001443386632 1066304172 /nfs/dbraw/zinc/30/41/72/1066304172.db2.gz FNYDBBVLXBANIJ-UHFFFAOYSA-N 1 0 456.480 4.812 20 0 JJADRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001443406956 1066306764 /nfs/dbraw/zinc/30/67/64/1066306764.db2.gz KRHXADXDRMDEDA-KRWDZBQOSA-N 1 0 453.936 4.618 20 0 JJADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Sc2ccccc2Cl)nn1 ZINC001443409146 1066307452 /nfs/dbraw/zinc/30/74/52/1066307452.db2.gz MYKIAHJVQPUZAZ-LJQANCHMSA-N 1 0 453.011 4.576 20 0 JJADRO Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)no1 ZINC001361066927 1066307449 /nfs/dbraw/zinc/30/74/49/1066307449.db2.gz XWJUIHUMVNHGTQ-XNZYNNNKSA-N 1 0 472.678 4.640 20 0 JJADRO C[NH+]1CCC2(CCN(C(=O)c3cc(Br)ccc3OCc3ccccc3)CC2)CC1 ZINC001454607328 1066309146 /nfs/dbraw/zinc/30/91/46/1066309146.db2.gz YRRQWCRRLBHWIH-UHFFFAOYSA-N 1 0 457.412 4.976 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001546063735 1066309483 /nfs/dbraw/zinc/30/94/83/1066309483.db2.gz BKKKDTOWKJZDAC-ATIYNZHBSA-N 1 0 455.647 4.709 20 0 JJADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2oc3ccccc3c2CSc2cccs2)CC1 ZINC001443430903 1066309957 /nfs/dbraw/zinc/30/99/57/1066309957.db2.gz PQOFBXQYNMLTHR-SFHVURJKSA-N 1 0 457.665 4.790 20 0 JJADRO C[C@H](CNC(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1)C[NH+]1CCN(C)CC1 ZINC001443435069 1066310779 /nfs/dbraw/zinc/31/07/79/1066310779.db2.gz ZAXIRFQNTOJLAG-MRXNPFEDSA-N 1 0 452.451 4.758 20 0 JJADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)CC1 ZINC001443460396 1066314026 /nfs/dbraw/zinc/31/40/26/1066314026.db2.gz PPGPPMGAYKWGFU-DEOSSOPVSA-N 1 0 454.636 4.528 20 0 JJADRO CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC1CC1)[NH+]1CCCC1 ZINC001545959445 1066315164 /nfs/dbraw/zinc/31/51/64/1066315164.db2.gz WBTLGERRTDNIRA-GOSISDBHSA-N 1 0 464.427 4.957 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001546064244 1066317704 /nfs/dbraw/zinc/31/77/04/1066317704.db2.gz LMIYRYYIWSVWHE-QFIPXVFZSA-N 1 0 494.453 4.584 20 0 JJADRO Cc1cc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC(C)(C)C)cc(N2CCCC2)[nH+]1 ZINC001361078258 1066317963 /nfs/dbraw/zinc/31/79/63/1066317963.db2.gz QRIMDZSECXENEQ-UHFFFAOYSA-N 1 0 468.596 4.981 20 0 JJADRO CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)S[C@@H](C)C1)[NH+]1CCCC1 ZINC001545959231 1066318307 /nfs/dbraw/zinc/31/83/07/1066318307.db2.gz SEIZGCUTLCBBRI-JENIJYKNSA-N 1 0 465.614 4.751 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)[C@@H](C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001361087222 1066325711 /nfs/dbraw/zinc/32/57/11/1066325711.db2.gz CGEDHCSDAZQUCS-UFYCRDLUSA-N 1 0 460.066 4.826 20 0 JJADRO O=C(N[C@H](CO)c1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001454731928 1066327790 /nfs/dbraw/zinc/32/77/90/1066327790.db2.gz QJJGNLSXBKHFGC-YPAWHYETSA-N 1 0 474.548 4.832 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001361087969 1066328348 /nfs/dbraw/zinc/32/83/48/1066328348.db2.gz DKKWPOAVGNKIOG-RBBKRZOGSA-N 1 0 490.092 4.599 20 0 JJADRO Cc1sc2ncnc(SCCC(=O)N3CC[N@H+](Cc4ccccc4)C(C)(C)C3)c2c1C ZINC001443551105 1066328289 /nfs/dbraw/zinc/32/82/89/1066328289.db2.gz LZKPZUXZVIWHFQ-UHFFFAOYSA-N 1 0 454.665 4.913 20 0 JJADRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001454744637 1066330674 /nfs/dbraw/zinc/33/06/74/1066330674.db2.gz IXXSCJBCKNPEQB-BJKOFHAPSA-N 1 0 457.659 4.626 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ccoc1 ZINC001361088332 1066330721 /nfs/dbraw/zinc/33/07/21/1066330721.db2.gz IHTDPAGAJQLXSW-UHFFFAOYSA-N 1 0 472.033 4.860 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001454751261 1066330924 /nfs/dbraw/zinc/33/09/24/1066330924.db2.gz SQRSYKCPCRCPGK-HXUWFJFHSA-N 1 0 459.432 4.670 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC=CCC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001361088536 1066331669 /nfs/dbraw/zinc/33/16/69/1066331669.db2.gz IYUUJUWHGFVCQK-HXUWFJFHSA-N 1 0 458.050 4.750 20 0 JJADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@]3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)c2C1 ZINC001546065157 1066331601 /nfs/dbraw/zinc/33/16/01/1066331601.db2.gz GKGHAEFJTWXCOX-JOCHJYFZSA-N 1 0 455.521 4.786 20 0 JJADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccnc(Cl)c3I)c2C1 ZINC001546065167 1066331986 /nfs/dbraw/zinc/33/19/86/1066331986.db2.gz GUIDPBAVLIYHLM-UHFFFAOYSA-N 1 0 455.727 4.564 20 0 JJADRO CCN1CCC([NH+]2CCC(C(=O)N3CCC[C@@]3(C)Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC001454791301 1066333985 /nfs/dbraw/zinc/33/39/85/1066333985.db2.gz PRYGBVSHGNONSB-VWLOTQADSA-N 1 0 450.042 4.599 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCO[C@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001361089167 1066334138 /nfs/dbraw/zinc/33/41/38/1066334138.db2.gz PXULZHLSVITHOE-OAQYLSRUSA-N 1 0 490.092 4.741 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001361089660 1066337225 /nfs/dbraw/zinc/33/72/25/1066337225.db2.gz ZFVKOYRZRLGPIR-CTNGQTDRSA-N 1 0 492.133 4.783 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001546065920 1066337307 /nfs/dbraw/zinc/33/73/07/1066337307.db2.gz CFJSBPDYUKDZDQ-FUFSCUOVSA-N 1 0 494.728 4.812 20 0 JJADRO C[C@@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001443660658 1066345564 /nfs/dbraw/zinc/34/55/64/1066345564.db2.gz CRBNRQKBVDPKSC-OAQYLSRUSA-N 1 0 451.611 4.813 20 0 JJADRO Cc1cccc(N(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001361099134 1066348870 /nfs/dbraw/zinc/34/88/70/1066348870.db2.gz ASHCNUKFJBKGSJ-LJQANCHMSA-N 1 0 455.006 4.571 20 0 JJADRO Cc1cccc(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001361099195 1066349467 /nfs/dbraw/zinc/34/94/67/1066349467.db2.gz CFQBRQUJBIUCJW-FDJWOJMMSA-N 1 0 469.674 4.906 20 0 JJADRO Cc1cccc(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361099778 1066349795 /nfs/dbraw/zinc/34/97/95/1066349795.db2.gz LDPBYPNYFDXLQO-QZTJIDSGSA-N 1 0 487.446 4.611 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCC1 ZINC001545961123 1066350427 /nfs/dbraw/zinc/35/04/27/1066350427.db2.gz PBITXOIRUQUNGY-FQEVSTJZSA-N 1 0 478.479 4.833 20 0 JJADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Cc1noc2ccc(Br)cc21 ZINC001455073210 1066357719 /nfs/dbraw/zinc/35/77/19/1066357719.db2.gz YIKXUMBERFRLKR-LJQANCHMSA-N 1 0 456.384 4.646 20 0 JJADRO Cc1cccc(O[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001361110333 1066359465 /nfs/dbraw/zinc/35/94/65/1066359465.db2.gz MXXCEENSELLMOA-NRFANRHFSA-N 1 0 453.656 4.627 20 0 JJADRO Cc1cccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361112067 1066362930 /nfs/dbraw/zinc/36/29/30/1066362930.db2.gz KSEXDJRNSMSGIP-SANMLTNESA-N 1 0 476.669 4.983 20 0 JJADRO Cc1ccccc1[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@H](C)C1 ZINC001443761915 1066363803 /nfs/dbraw/zinc/36/38/03/1066363803.db2.gz REZIVFXKHJBBMZ-UWDQQESISA-N 1 0 457.659 4.921 20 0 JJADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC001443777548 1066367225 /nfs/dbraw/zinc/36/72/25/1066367225.db2.gz WLXCKVJEFKLSTF-FXAWDEMLSA-N 1 0 456.412 4.631 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)OC ZINC001545962433 1066369426 /nfs/dbraw/zinc/36/94/26/1066369426.db2.gz CHSWPAYUCIPBRN-AREMUKBSSA-N 1 0 496.744 4.662 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](COC(C)C)C1)[NH+]1CCCC1 ZINC001545962453 1066370173 /nfs/dbraw/zinc/37/01/73/1066370173.db2.gz CRWIWLXUZZJYBR-LOSJGSFVSA-N 1 0 483.701 4.747 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1cnccn1)[NH+]1CCCC1 ZINC001545962755 1066375409 /nfs/dbraw/zinc/37/54/09/1066375409.db2.gz JLBOZYGAUVUTRK-DEOSSOPVSA-N 1 0 461.658 4.586 20 0 JJADRO Cc1sc2ncnc(SCC(=O)Nc3ccc(OCC[NH+](C)C)c(Cl)c3)c2c1C ZINC001443846558 1066375818 /nfs/dbraw/zinc/37/58/18/1066375818.db2.gz XKVQWBJWKYJATR-UHFFFAOYSA-N 1 0 451.017 4.633 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001546070667 1066376465 /nfs/dbraw/zinc/37/64/65/1066376465.db2.gz NCSJLNSZCNWBFF-NDEPHWFRSA-N 1 0 493.700 4.981 20 0 JJADRO CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001443849488 1066376617 /nfs/dbraw/zinc/37/66/17/1066376617.db2.gz NEOOCOQUIHDTHE-GOSISDBHSA-N 1 0 456.027 4.891 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001361124083 1066377010 /nfs/dbraw/zinc/37/70/10/1066377010.db2.gz WJONWCIZWXJBPE-FQEVSTJZSA-N 1 0 497.606 4.788 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccco3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001361124208 1066378008 /nfs/dbraw/zinc/37/80/08/1066378008.db2.gz ZVTHCLPXBIKTQX-UHFFFAOYSA-N 1 0 494.684 4.544 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545962936 1066378654 /nfs/dbraw/zinc/37/86/54/1066378654.db2.gz MUYDPXBSQHBGQM-YKSBVNFPSA-N 1 0 453.675 4.978 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001546070979 1066379870 /nfs/dbraw/zinc/37/98/70/1066379870.db2.gz UEGWDEBEDPVFJV-JYFHCDHNSA-N 1 0 455.647 4.525 20 0 JJADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)C1 ZINC001443897532 1066382516 /nfs/dbraw/zinc/38/25/16/1066382516.db2.gz QDQINUZVWZVUJD-ZJSXRUAMSA-N 1 0 451.611 4.671 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCO[C@H](C)C1)[NH+]1CCCC1 ZINC001545963182 1066385119 /nfs/dbraw/zinc/38/51/19/1066385119.db2.gz RAVOHHDIXTYLAV-UYAOXDASSA-N 1 0 476.463 4.506 20 0 JJADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001443914870 1066385326 /nfs/dbraw/zinc/38/53/26/1066385326.db2.gz YHVHQPIUIFCAAP-UHFFFAOYSA-N 1 0 455.002 4.597 20 0 JJADRO C[C@@H]([NH2+]C1(CNC(=O)COC(c2ccccc2)c2ccccc2)CCOCC1)c1ccccc1 ZINC001443918665 1066385792 /nfs/dbraw/zinc/38/57/92/1066385792.db2.gz QRFYUVMTQDWSDC-HSZRJFAPSA-N 1 0 458.602 4.809 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)CC3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001361126640 1066385971 /nfs/dbraw/zinc/38/59/71/1066385971.db2.gz WWBZYULDGFSENV-UHFFFAOYSA-N 1 0 469.674 4.636 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001546072622 1066389502 /nfs/dbraw/zinc/38/95/02/1066389502.db2.gz HXENLDWJQNJIAV-AREMUKBSSA-N 1 0 475.628 4.663 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC(C)(C)C3)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001361128238 1066391384 /nfs/dbraw/zinc/39/13/84/1066391384.db2.gz VLCGKBNGGZPZPZ-UHFFFAOYSA-N 1 0 483.701 4.762 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2nccs2)c1 ZINC001361128270 1066391620 /nfs/dbraw/zinc/39/16/20/1066391620.db2.gz VVUXDPJRTWMWMW-UHFFFAOYSA-N 1 0 468.671 4.761 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CCC(C)C)c1 ZINC001361128513 1066392000 /nfs/dbraw/zinc/39/20/00/1066392000.db2.gz YGCMXGTWXZQSMR-VWLOTQADSA-N 1 0 496.744 4.940 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001361128530 1066392380 /nfs/dbraw/zinc/39/23/80/1066392380.db2.gz YNSXEDDQONGZOD-VWLOTQADSA-N 1 0 496.744 4.940 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C)C3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001361128548 1066392458 /nfs/dbraw/zinc/39/24/58/1066392458.db2.gz YZDNYOOSFGRQPQ-JOCHJYFZSA-N 1 0 469.674 4.636 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2CCOCC2)c1 ZINC001361129886 1066393979 /nfs/dbraw/zinc/39/39/79/1066393979.db2.gz FUCWYNSHKJRYBC-UHFFFAOYSA-N 1 0 469.674 4.636 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001546072917 1066394636 /nfs/dbraw/zinc/39/46/36/1066394636.db2.gz MNJSRXYQDOJKEY-MHZLTWQESA-N 1 0 488.721 4.751 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001455492704 1066397685 /nfs/dbraw/zinc/39/76/85/1066397685.db2.gz GRFJXCKDJSCBKB-QHCPKHFHSA-N 1 0 455.643 4.972 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSCC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361131172 1066398204 /nfs/dbraw/zinc/39/82/04/1066398204.db2.gz AWELDWAXHULIQB-QFIPXVFZSA-N 1 0 471.715 4.963 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@@H]3C)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001361131185 1066398475 /nfs/dbraw/zinc/39/84/75/1066398475.db2.gz BAPUPWMBHCPNDU-NZQKXSOJSA-N 1 0 483.682 4.878 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361132187 1066401801 /nfs/dbraw/zinc/40/18/01/1066401801.db2.gz VHQLZYWCARIFBL-NLFFAJNJSA-N 1 0 489.755 4.668 20 0 JJADRO O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001444084622 1066402334 /nfs/dbraw/zinc/40/23/34/1066402334.db2.gz GZMHTNHTSGRICV-VMPITWQZSA-N 1 0 452.904 4.645 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001545964239 1066403835 /nfs/dbraw/zinc/40/38/35/1066403835.db2.gz AIOISMMSTGMPBX-WMZOPIPTSA-N 1 0 494.453 4.725 20 0 JJADRO CC(C)OCc1c2ccccc2oc1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001455526464 1066403901 /nfs/dbraw/zinc/40/39/01/1066403901.db2.gz JOLWXNJZLHYFKJ-UHFFFAOYSA-N 1 0 450.579 4.769 20 0 JJADRO C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001444095219 1066405591 /nfs/dbraw/zinc/40/55/91/1066405591.db2.gz WUZWEMVPENDYKL-RBUKOAKNSA-N 1 0 457.615 4.666 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](OCC(C)C)C1)[NH+]1CCCC1 ZINC001545964385 1066405641 /nfs/dbraw/zinc/40/56/41/1066405641.db2.gz CSRCTVJIYOECDS-WOJBJXKFSA-N 1 0 464.029 4.863 20 0 JJADRO CC(C)c1ccc(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001455542022 1066407885 /nfs/dbraw/zinc/40/78/85/1066407885.db2.gz OWIPNMRTYCRHQP-UHFFFAOYSA-N 1 0 452.039 4.916 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)CC[C@@H](O)c2ccc(C(C)(C)C)cc2)CCOCC1 ZINC001455543103 1066408646 /nfs/dbraw/zinc/40/86/46/1066408646.db2.gz KFZWJKBNQCLZHM-RUZDIDTESA-N 1 0 452.639 4.595 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](C)c2ccc(C)cc2)n1 ZINC001361135403 1066409269 /nfs/dbraw/zinc/40/92/69/1066409269.db2.gz NNOWOOAUZDXYBE-JOCHJYFZSA-N 1 0 477.701 4.810 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001455559260 1066410417 /nfs/dbraw/zinc/41/04/17/1066410417.db2.gz JUKFNBNLMFFISE-ZFFYZDHPSA-N 1 0 454.655 4.607 20 0 JJADRO CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001455580686 1066412329 /nfs/dbraw/zinc/41/23/29/1066412329.db2.gz FIJVSKYBHTZUTK-IIBYNOLFSA-N 1 0 457.785 4.853 20 0 JJADRO Cc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(Br)o2)[NH+](C)C)cc1 ZINC001361138565 1066413646 /nfs/dbraw/zinc/41/36/46/1066413646.db2.gz BYXFSGLEEIDFDJ-NRFANRHFSA-N 1 0 495.425 4.943 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC001361138509 1066413808 /nfs/dbraw/zinc/41/38/08/1066413808.db2.gz AZRYYEJHZGYQBT-JTHBVZDNSA-N 1 0 453.656 4.790 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC001361139447 1066415204 /nfs/dbraw/zinc/41/52/04/1066415204.db2.gz JVMVJTCDXDCVOS-ILWGZMRPSA-N 1 0 479.591 4.778 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361139594 1066415929 /nfs/dbraw/zinc/41/59/29/1066415929.db2.gz MLZZUASDDWYEGP-TYPXCFOJSA-N 1 0 496.700 4.581 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CC[C@H](C)C(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361140858 1066419281 /nfs/dbraw/zinc/41/92/81/1066419281.db2.gz HRWPPKOMNVOQHA-HPJWIMSGSA-N 1 0 483.701 4.802 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C)(C)CC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC001361141652 1066421985 /nfs/dbraw/zinc/42/19/85/1066421985.db2.gz PRDAMQDMTZRPGV-JOCHJYFZSA-N 1 0 452.672 4.872 20 0 JJADRO Cc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC001361142459 1066424201 /nfs/dbraw/zinc/42/42/01/1066424201.db2.gz ZRBCJOKWSVBQAL-IRLDBZIGSA-N 1 0 472.559 4.654 20 0 JJADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)C1 ZINC001444178414 1066426197 /nfs/dbraw/zinc/42/61/97/1066426197.db2.gz VKZIMHRHVMWTRK-LADGPHEKSA-N 1 0 455.643 4.586 20 0 JJADRO Cc1cc(C(=O)N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)ccc1Br ZINC001455716788 1066426869 /nfs/dbraw/zinc/42/68/69/1066426869.db2.gz NMHWRGZKECXOQG-NRFANRHFSA-N 1 0 457.412 4.701 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)c3cccs3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001361144572 1066426933 /nfs/dbraw/zinc/42/69/33/1066426933.db2.gz JPDLTEHIFJORAL-JOCHJYFZSA-N 1 0 496.725 4.759 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCOCC1)[NH+]1CCCC1 ZINC001545965568 1066427509 /nfs/dbraw/zinc/42/75/09/1066427509.db2.gz ZTTNLNJYROCRMK-IBGZPJMESA-N 1 0 494.453 4.584 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCOCC1)[NH+]1CCCC1 ZINC001545965569 1066427537 /nfs/dbraw/zinc/42/75/37/1066427537.db2.gz ZTTNLNJYROCRMK-LJQANCHMSA-N 1 0 494.453 4.584 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001444212502 1066429819 /nfs/dbraw/zinc/42/98/19/1066429819.db2.gz UQBFZBFMHKNGIN-JOCHJYFZSA-N 1 0 450.970 4.754 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361145930 1066430889 /nfs/dbraw/zinc/43/08/89/1066430889.db2.gz NAPLEMWAQNAJCK-OAQYLSRUSA-N 1 0 457.688 4.538 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361146007 1066431018 /nfs/dbraw/zinc/43/10/18/1066431018.db2.gz OTPAWMFDQOWDNY-DHIUTWEWSA-N 1 0 495.668 4.900 20 0 JJADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)CC1 ZINC001444219926 1066431686 /nfs/dbraw/zinc/43/16/86/1066431686.db2.gz QKCIQDXGOVHFLP-IBGZPJMESA-N 1 0 453.465 4.660 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001361148207 1066433791 /nfs/dbraw/zinc/43/37/91/1066433791.db2.gz DIYSBMGNCKZXPO-ISKFKSNPSA-N 1 0 451.659 4.998 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001361148428 1066435308 /nfs/dbraw/zinc/43/53/08/1066435308.db2.gz KLMDTLBMZFGLGQ-LJQANCHMSA-N 1 0 461.601 4.687 20 0 JJADRO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@]2(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001455811658 1066435930 /nfs/dbraw/zinc/43/59/30/1066435930.db2.gz QCBDJDLDCHCVQF-MHZLTWQESA-N 1 0 452.595 4.894 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361148729 1066436723 /nfs/dbraw/zinc/43/67/23/1066436723.db2.gz UVEUFAYJEWJFRE-NHTMILBNSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[NH+]2CCCCC2)c1 ZINC001361148860 1066438085 /nfs/dbraw/zinc/43/80/85/1066438085.db2.gz ZLVHOPKIZLFJMG-UHFFFAOYSA-N 1 0 477.657 4.510 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001361149199 1066438632 /nfs/dbraw/zinc/43/86/32/1066438632.db2.gz MDYGNLUZDPWMPE-RUZDIDTESA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361151240 1066441955 /nfs/dbraw/zinc/44/19/55/1066441955.db2.gz FQFQUYCFAGHBGG-UGKGYDQZSA-N 1 0 495.590 4.504 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361151402 1066442622 /nfs/dbraw/zinc/44/26/22/1066442622.db2.gz ITWRZZNKDZTKJM-QFIPXVFZSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361151401 1066442650 /nfs/dbraw/zinc/44/26/50/1066442650.db2.gz ITWRZZNKDZTKJM-JOCHJYFZSA-N 1 0 469.674 4.600 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001444300357 1066445220 /nfs/dbraw/zinc/44/52/20/1066445220.db2.gz QIASISMJRTXHSX-PUHATCMVSA-N 1 0 455.643 4.678 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361152042 1066445261 /nfs/dbraw/zinc/44/52/61/1066445261.db2.gz HMCFZRJTVYVSKL-IGABQKFOSA-N 1 0 483.701 4.844 20 0 JJADRO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1NC(=O)c1ccncc1 ZINC001444298451 1066445292 /nfs/dbraw/zinc/44/52/92/1066445292.db2.gz NMXPUEHADZBNLV-ZJSXRUAMSA-N 1 0 456.590 4.767 20 0 JJADRO CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444325388 1066449257 /nfs/dbraw/zinc/44/92/57/1066449257.db2.gz VWZGWVJBLUYAFZ-KMDXXIMOSA-N 1 0 455.643 4.679 20 0 JJADRO CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444325401 1066449277 /nfs/dbraw/zinc/44/92/77/1066449277.db2.gz VWZGWVJBLUYAFZ-TZRRMPRUSA-N 1 0 455.643 4.679 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCCCO2)c1 ZINC001361154511 1066451089 /nfs/dbraw/zinc/45/10/89/1066451089.db2.gz BCLRQUHIGJPTKK-DEOSSOPVSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC(F)(F)CC3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001361154487 1066451138 /nfs/dbraw/zinc/45/11/38/1066451138.db2.gz ANSFBXCSCBVQDP-UHFFFAOYSA-N 1 0 461.601 4.974 20 0 JJADRO Cn1cc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c(-c2ccc(Cl)s2)n1 ZINC001444358348 1066454176 /nfs/dbraw/zinc/45/41/76/1066454176.db2.gz XVTOXELWHOGMPH-UHFFFAOYSA-N 1 0 458.031 4.832 20 0 JJADRO Cc1cc(NC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)ccc1OCC[NH+]1CCCC1 ZINC001444358716 1066454470 /nfs/dbraw/zinc/45/44/70/1066454470.db2.gz YHFKHBQQIRJGOE-UHFFFAOYSA-N 1 0 451.611 4.840 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001361156174 1066457453 /nfs/dbraw/zinc/45/74/53/1066457453.db2.gz POUXCJWMHNHIGD-FQEVSTJZSA-N 1 0 461.601 4.830 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546077889 1066460066 /nfs/dbraw/zinc/46/00/66/1066460066.db2.gz XQMBLRDPFFLMJU-DQCZWYHMSA-N 1 0 483.701 4.586 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361158719 1066462004 /nfs/dbraw/zinc/46/20/04/1066462004.db2.gz FJAKLYROSVTILG-GIFXNVAJSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361158978 1066462564 /nfs/dbraw/zinc/46/25/64/1066462564.db2.gz KUILTYIKZQVUGB-GGAORHGYSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361158929 1066462615 /nfs/dbraw/zinc/46/26/15/1066462615.db2.gz ITCUAYLHLLVKNG-MHZLTWQESA-N 1 0 471.690 4.582 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001361158999 1066462690 /nfs/dbraw/zinc/46/26/90/1066462690.db2.gz LXLWYJJTFJGDFS-RPBOFIJWSA-N 1 0 483.701 4.988 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCSC2(C)C)c1 ZINC001361159955 1066465674 /nfs/dbraw/zinc/46/56/74/1066465674.db2.gz PGZUAZGTAZQQCH-JOCHJYFZSA-N 1 0 471.715 4.784 20 0 JJADRO Cc1nc(C)c(CCn2c(COc3cc(C)ccc3C)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001361160001 1066465884 /nfs/dbraw/zinc/46/58/84/1066465884.db2.gz QZRRQZPPFLXGLT-UHFFFAOYSA-N 1 0 482.698 4.710 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)C1CC1 ZINC001444504408 1066468827 /nfs/dbraw/zinc/46/88/27/1066468827.db2.gz PSMAZGMWNVFOJQ-QHCPKHFHSA-N 1 0 455.643 4.727 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361162863 1066470975 /nfs/dbraw/zinc/47/09/75/1066470975.db2.gz SRPDREVDYFXDEP-MHZLTWQESA-N 1 0 471.690 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001361163116 1066471856 /nfs/dbraw/zinc/47/18/56/1066471856.db2.gz VEMFMNILWMVDAJ-VWLOTQADSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001361163467 1066472688 /nfs/dbraw/zinc/47/26/88/1066472688.db2.gz YJKCWMCHWSYPGN-HHHXNRCGSA-N 1 0 471.690 4.703 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361163543 1066473249 /nfs/dbraw/zinc/47/32/49/1066473249.db2.gz NPDHPPCKHMQFTL-VXKWHMMOSA-N 1 0 457.688 4.536 20 0 JJADRO O=C(CCCOc1cccc2ccccc21)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001444548806 1066474365 /nfs/dbraw/zinc/47/43/65/1066474365.db2.gz XXMYDQBUWPKOJK-UHFFFAOYSA-N 1 0 450.554 4.798 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001361164162 1066474955 /nfs/dbraw/zinc/47/49/55/1066474955.db2.gz XKIDCGSJCYHBOW-DNVJHFABSA-N 1 0 471.715 4.925 20 0 JJADRO Cc1cccc(-n2ccnc2SCC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC001444562929 1066476355 /nfs/dbraw/zinc/47/63/55/1066476355.db2.gz GELRBNJFUILEIS-AUSIDOKSSA-N 1 0 454.665 4.842 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCC[N@H+](C)C(C)C)CC2)cc1 ZINC001361165265 1066476521 /nfs/dbraw/zinc/47/65/21/1066476521.db2.gz FJANTCRBEIWEGY-LJAQVGFWSA-N 1 0 497.728 4.916 20 0 JJADRO CC[NH+]1CCN(CCC(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)CC1 ZINC001444565247 1066477192 /nfs/dbraw/zinc/47/71/92/1066477192.db2.gz QBNBGKLVVVWTTI-UHFFFAOYSA-N 1 0 451.590 4.698 20 0 JJADRO Cc1ccc([C@]2(O)CCN(c3nnc(C(C)C)n3CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC001361166455 1066477693 /nfs/dbraw/zinc/47/76/93/1066477693.db2.gz VCLBVCDSDZKTQH-OBTVHEKISA-N 1 0 453.675 4.566 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001361166801 1066478429 /nfs/dbraw/zinc/47/84/29/1066478429.db2.gz ZXWCKYQQKOQCPR-SQHAQQRYSA-N 1 0 455.602 4.528 20 0 JJADRO Cc1ccc(-c2nc(CCn3c(CC(C)C)nnc3N3CC[NH+](C(C)(C)C)CC3)co2)cc1 ZINC001361168004 1066481503 /nfs/dbraw/zinc/48/15/03/1066481503.db2.gz YFRORODNHCDNRH-UHFFFAOYSA-N 1 0 450.631 4.603 20 0 JJADRO O=C(c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001444613105 1066482747 /nfs/dbraw/zinc/48/27/47/1066482747.db2.gz WMSVDRBZVQTSIU-UHFFFAOYSA-N 1 0 454.924 4.694 20 0 JJADRO CCOc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccc1OCCOc1ccccc1 ZINC001444614182 1066483609 /nfs/dbraw/zinc/48/36/09/1066483609.db2.gz ZXEISWUZFZFPON-UHFFFAOYSA-N 1 0 452.595 4.634 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)o1 ZINC001361169719 1066484137 /nfs/dbraw/zinc/48/41/37/1066484137.db2.gz JIZAVPSEYRUFOX-YADHBBJMSA-N 1 0 451.615 4.853 20 0 JJADRO O=C(CCCc1nnc(-c2ccccc2)o1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001456033962 1066484291 /nfs/dbraw/zinc/48/42/91/1066484291.db2.gz WZZGDOXEPVFDNV-JOCHJYFZSA-N 1 0 452.986 4.884 20 0 JJADRO C/C(=C\C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)c1ccccc1C ZINC001444644957 1066487403 /nfs/dbraw/zinc/48/74/03/1066487403.db2.gz BLOZLZBTERSHME-HTXNQAPBSA-N 1 0 457.412 4.820 20 0 JJADRO COc1cc(Cl)c(Cl)cc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001444646285 1066487999 /nfs/dbraw/zinc/48/79/99/1066487999.db2.gz DTAJSLFARZUHLY-UHFFFAOYSA-N 1 0 457.785 4.929 20 0 JJADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1c(F)cccc1Br ZINC001444648109 1066488015 /nfs/dbraw/zinc/48/80/15/1066488015.db2.gz JQWHJKYYEFWWJG-UHFFFAOYSA-N 1 0 455.755 4.515 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCCCC2)o1 ZINC001361171670 1066488074 /nfs/dbraw/zinc/48/80/74/1066488074.db2.gz QXNNEYQQXXNLGC-UHFFFAOYSA-N 1 0 486.661 4.558 20 0 JJADRO CC(C)(C)C(=O)Nc1ccccc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001444653148 1066488860 /nfs/dbraw/zinc/48/88/60/1066488860.db2.gz SFNDNODGKLNQNJ-UHFFFAOYSA-N 1 0 458.002 4.598 20 0 JJADRO Cc1ccc(NC(=O)c2cc(C(=O)c3cccc4ccccc43)cn2C)c(OCC[NH+](C)C)c1 ZINC001444653377 1066488976 /nfs/dbraw/zinc/48/89/76/1066488976.db2.gz UEIPSDRZNMUSNT-UHFFFAOYSA-N 1 0 455.558 4.910 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1Br ZINC001361174461 1066491335 /nfs/dbraw/zinc/49/13/35/1066491335.db2.gz RRNFLDDTUJKDFI-AZUAARDMSA-N 1 0 476.463 4.506 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001545968447 1066492310 /nfs/dbraw/zinc/49/23/10/1066492310.db2.gz FSTZPOBTNZVWBG-JTHBVZDNSA-N 1 0 482.673 4.561 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](CC(C)C)[NH+](C)C)cc1Br ZINC001361175434 1066492796 /nfs/dbraw/zinc/49/27/96/1066492796.db2.gz NCBBFUGDNXQYPS-MRXNPFEDSA-N 1 0 476.385 4.991 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CC2([NH+](C)C)CCCCC2)o1 ZINC001361175243 1066492816 /nfs/dbraw/zinc/49/28/16/1066492816.db2.gz HQJWRRPDPGURFE-UHFFFAOYSA-N 1 0 485.032 4.839 20 0 JJADRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444692826 1066493893 /nfs/dbraw/zinc/49/38/93/1066493893.db2.gz XJOHLXKIRQQWPR-NOZRDPDXSA-N 1 0 450.623 4.659 20 0 JJADRO Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)C[NH+]4CCCCCCC4)cc3)cc2)nn1 ZINC001361176267 1066494660 /nfs/dbraw/zinc/49/46/60/1066494660.db2.gz KYPISOIEIBNUQU-UHFFFAOYSA-N 1 0 457.578 4.909 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC001456054717 1066495061 /nfs/dbraw/zinc/49/50/61/1066495061.db2.gz IGMPLRSREPDUFN-UHFFFAOYSA-N 1 0 450.892 4.749 20 0 JJADRO O=C(c1ccc(OCC(F)F)nc1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001456053812 1066495209 /nfs/dbraw/zinc/49/52/09/1066495209.db2.gz GFEXKXAAEPCFQS-UHFFFAOYSA-N 1 0 458.336 4.771 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)CCC(F)(F)F)[NH+]1CCCC1 ZINC001545968703 1066495930 /nfs/dbraw/zinc/49/59/30/1066495930.db2.gz JTTNBYOBRYLJRA-OAHLLOKOSA-N 1 0 474.369 4.971 20 0 JJADRO Cc1cc(-n2cncn2)ccc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001456060517 1066498527 /nfs/dbraw/zinc/49/85/27/1066498527.db2.gz RONCZIKUWSECRI-UHFFFAOYSA-N 1 0 458.393 4.621 20 0 JJADRO COc1ccc(-c2cncc(C(=O)N(CC[NH+](C)C)Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001456063261 1066499658 /nfs/dbraw/zinc/49/96/58/1066499658.db2.gz ZYYNOIXTUWZRTE-UHFFFAOYSA-N 1 0 457.496 4.980 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001545969048 1066502294 /nfs/dbraw/zinc/50/22/94/1066502294.db2.gz PZAONNMXHLBUCM-GBXCKJPGSA-N 1 0 479.591 4.658 20 0 JJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC001456079317 1066504563 /nfs/dbraw/zinc/50/45/63/1066504563.db2.gz MBHRSSMJIWAACB-QFIPXVFZSA-N 1 0 455.046 4.593 20 0 JJADRO Cc1cc2c(c(F)c1)C[C@H](C(=O)NC1CC[NH+](C3CCCCC3)CC1)N2C(=O)OC(C)(C)C ZINC001361182378 1066504798 /nfs/dbraw/zinc/50/47/98/1066504798.db2.gz WEHGMOGQQCYJEC-HSZRJFAPSA-N 1 0 459.606 4.714 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H](C)CCSC)[NH+]1CCCC1 ZINC001545969325 1066505058 /nfs/dbraw/zinc/50/50/58/1066505058.db2.gz VYHWABOEUOGRDB-FPOVZHCZSA-N 1 0 452.672 4.946 20 0 JJADRO CC[C@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H](C)CCSC)[NH+]1CCCC1 ZINC001545969326 1066505085 /nfs/dbraw/zinc/50/50/85/1066505085.db2.gz VYHWABOEUOGRDB-PZJWPPBQSA-N 1 0 452.672 4.946 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CC3CCCCC3)n2CCOCC[NH+](C)C)cc1Br ZINC001361183263 1066505680 /nfs/dbraw/zinc/50/56/80/1066505680.db2.gz IGTATBIYDRWSBI-UHFFFAOYSA-N 1 0 478.479 4.611 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC001361184285 1066506980 /nfs/dbraw/zinc/50/69/80/1066506980.db2.gz FAGVDRDLOOXYBP-UYAOXDASSA-N 1 0 490.490 4.611 20 0 JJADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCc1cc(Br)c(Br)s1 ZINC001444841605 1066511385 /nfs/dbraw/zinc/51/13/85/1066511385.db2.gz AQTZWBMGTHYWPS-LBPRGKRZSA-N 1 0 452.256 4.539 20 0 JJADRO CCOC(=O)[C@](C)(CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)CC(C)C ZINC001456116657 1066512505 /nfs/dbraw/zinc/51/25/05/1066512505.db2.gz WVQGHILYABZPAF-QUFBTCJSSA-N 1 0 464.650 4.808 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546079625 1066512950 /nfs/dbraw/zinc/51/29/50/1066512950.db2.gz QJHUBHJSGHSXPQ-XMERXJNXSA-N 1 0 473.637 4.510 20 0 JJADRO Nc1c(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cccc1C(F)(F)F ZINC001444871264 1066515269 /nfs/dbraw/zinc/51/52/69/1066515269.db2.gz YFZQQCFRQOCLAF-MRXNPFEDSA-N 1 0 459.434 4.814 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC001456125731 1066515835 /nfs/dbraw/zinc/51/58/35/1066515835.db2.gz AVQDVBCIQDLYIF-WBADGQHESA-N 1 0 483.678 4.773 20 0 JJADRO Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H](c2ccco2)[NH+](C)C)o1 ZINC001361191205 1066517243 /nfs/dbraw/zinc/51/72/43/1066517243.db2.gz KEFHFBYUCXQSFC-QGZVFWFLSA-N 1 0 451.493 4.911 20 0 JJADRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C[NH+](C)C)c(F)c3)ccc2C)cc1 ZINC001444943598 1066520596 /nfs/dbraw/zinc/52/05/96/1066520596.db2.gz JTTIBLJXKHSDFT-UHFFFAOYSA-N 1 0 455.555 4.557 20 0 JJADRO Cc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361194542 1066520957 /nfs/dbraw/zinc/52/09/57/1066520957.db2.gz QHEQRIYXKNNEPJ-KRWDZBQOSA-N 1 0 476.463 4.504 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](c4ccccc4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)o1 ZINC001361195560 1066522040 /nfs/dbraw/zinc/52/20/40/1066522040.db2.gz CWWXHKPZWMXUED-BGWNEDDSSA-N 1 0 451.615 4.789 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)o1 ZINC001361198014 1066526259 /nfs/dbraw/zinc/52/62/59/1066526259.db2.gz FNMJBLYTBMACEB-SIKLNZKXSA-N 1 0 498.697 4.588 20 0 JJADRO C[NH+](C)CCCOc1ccc(NC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001456168087 1066526985 /nfs/dbraw/zinc/52/69/85/1066526985.db2.gz BOVVSNWHISCUMG-UHFFFAOYSA-N 1 0 453.583 4.563 20 0 JJADRO Cc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC001361198497 1066527387 /nfs/dbraw/zinc/52/73/87/1066527387.db2.gz SWPKAFMVHLJDMC-UHFFFAOYSA-N 1 0 489.542 4.924 20 0 JJADRO C[N@@H+]1C[C@H](NC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)C(C)(C)C1 ZINC001456173163 1066528472 /nfs/dbraw/zinc/52/84/72/1066528472.db2.gz GQIXJQCHECTJTE-NRFANRHFSA-N 1 0 454.412 4.986 20 0 JJADRO CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001545971358 1066529129 /nfs/dbraw/zinc/52/91/29/1066529129.db2.gz WGNXSGVPPDDJQF-MSOLQXFVSA-N 1 0 484.998 4.546 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001361200172 1066529948 /nfs/dbraw/zinc/52/99/48/1066529948.db2.gz OTEFGASVKIQBBR-IBGZPJMESA-N 1 0 460.464 4.983 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)C1 ZINC001445036897 1066531560 /nfs/dbraw/zinc/53/15/60/1066531560.db2.gz VGHUZXHVEOKKRK-FQEVSTJZSA-N 1 0 458.002 4.962 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC001361201879 1066531958 /nfs/dbraw/zinc/53/19/58/1066531958.db2.gz JGTLGERFRRNDQE-LEAZDLGRSA-N 1 0 490.490 4.750 20 0 JJADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)cc2)C1 ZINC001445040952 1066531992 /nfs/dbraw/zinc/53/19/92/1066531992.db2.gz AOHWQGNMQCTOGD-SIKLNZKXSA-N 1 0 459.631 4.771 20 0 JJADRO CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCC ZINC001445043934 1066533014 /nfs/dbraw/zinc/53/30/14/1066533014.db2.gz CTJKXKTXJAKEEO-PZJWPPBQSA-N 1 0 452.595 4.708 20 0 JJADRO CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCC ZINC001445043915 1066533137 /nfs/dbraw/zinc/53/31/37/1066533137.db2.gz CTJKXKTXJAKEEO-CTNGQTDRSA-N 1 0 452.595 4.708 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H](c2ccco2)[NH+](C)C)o1 ZINC001361203934 1066533705 /nfs/dbraw/zinc/53/37/05/1066533705.db2.gz GJGCAKSBBWHLIH-QGZVFWFLSA-N 1 0 451.493 4.911 20 0 JJADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc(Br)cc4cccnc43)cc2)C1 ZINC001445051442 1066534266 /nfs/dbraw/zinc/53/42/66/1066534266.db2.gz UJJQYSGOUQYFSA-INIZCTEOSA-N 1 0 454.368 4.970 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001361204187 1066534657 /nfs/dbraw/zinc/53/46/57/1066534657.db2.gz PDYSDGUUOAHHTD-JOCHJYFZSA-N 1 0 472.033 4.792 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001361204206 1066534710 /nfs/dbraw/zinc/53/47/10/1066534710.db2.gz POOZUALIGJYSAJ-JJVXONKQSA-N 1 0 489.730 4.875 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCOCc2ccccc2)o1 ZINC001361205934 1066537845 /nfs/dbraw/zinc/53/78/45/1066537845.db2.gz YETBSHLQKPYGNC-UHFFFAOYSA-N 1 0 451.615 4.620 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCO[C@@H](C)c2ccccc2)o1 ZINC001361206913 1066538940 /nfs/dbraw/zinc/53/89/40/1066538940.db2.gz BKGZKAOCFAWVNL-NRFANRHFSA-N 1 0 451.615 4.981 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001456215309 1066539168 /nfs/dbraw/zinc/53/91/68/1066539168.db2.gz SGNXUEWULXGIDS-MOPGFXCFSA-N 1 0 457.537 4.556 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CCCCC[NH+]2CCCC2)o1 ZINC001361207082 1066539359 /nfs/dbraw/zinc/53/93/59/1066539359.db2.gz HZXHERFBDPZUDL-OAQYLSRUSA-N 1 0 486.661 4.558 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CCOC(C)(C)C)cc1Br ZINC001361207662 1066540604 /nfs/dbraw/zinc/54/06/04/1066540604.db2.gz XBPJNQILVKBTBH-FQEVSTJZSA-N 1 0 490.490 4.896 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001361209408 1066542854 /nfs/dbraw/zinc/54/28/54/1066542854.db2.gz WKAVXOUOEBTOPS-YADHBBJMSA-N 1 0 455.578 4.540 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CCCOCC(C)C)o1 ZINC001361211816 1066545920 /nfs/dbraw/zinc/54/59/20/1066545920.db2.gz BBMYAFXGPIJEDT-HSZRJFAPSA-N 1 0 457.663 4.858 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)o1 ZINC001361212780 1066547869 /nfs/dbraw/zinc/54/78/69/1066547869.db2.gz PSQWCXRZXIOZOQ-GGAORHGYSA-N 1 0 498.716 4.736 20 0 JJADRO COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1OC ZINC001456267314 1066550025 /nfs/dbraw/zinc/55/00/25/1066550025.db2.gz LOVNAASOWXFEBT-DCEDVJGZSA-N 1 0 459.590 4.500 20 0 JJADRO CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001445270217 1066550669 /nfs/dbraw/zinc/55/06/69/1066550669.db2.gz JURJSHKCMIACDX-LUFKIMSYSA-N 1 0 451.696 4.923 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1Br ZINC001361218558 1066555278 /nfs/dbraw/zinc/55/52/78/1066555278.db2.gz UWQRJXSSLPPXBF-IBGZPJMESA-N 1 0 490.490 4.753 20 0 JJADRO O=C(COCc1cccc(Cl)c1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220365 1066557218 /nfs/dbraw/zinc/55/72/18/1066557218.db2.gz OBICVKOKUJLKIJ-HXUWFJFHSA-N 1 0 454.920 4.770 20 0 JJADRO CCC(=O)c1cc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1F ZINC001361220516 1066558084 /nfs/dbraw/zinc/55/80/84/1066558084.db2.gz TYRRBLNJRAWNRC-SFHVURJKSA-N 1 0 450.476 4.945 20 0 JJADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)[C@H](C)C1 ZINC001456304177 1066559604 /nfs/dbraw/zinc/55/96/04/1066559604.db2.gz ROKABWIWYWNWNU-XMSQKQJNSA-N 1 0 455.002 4.546 20 0 JJADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)[C@@H](C)C1 ZINC001456304171 1066559688 /nfs/dbraw/zinc/55/96/88/1066559688.db2.gz ROKABWIWYWNWNU-AVRDEDQJSA-N 1 0 455.002 4.546 20 0 JJADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(-c3ccc(Br)s3)s2)C[C@H](C)O1 ZINC001445344695 1066560091 /nfs/dbraw/zinc/56/00/91/1066560091.db2.gz FRQHMYHDOZGECD-OKILXGFUSA-N 1 0 457.459 4.858 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(O)CCCCC2)cc1Br ZINC001361221341 1066560235 /nfs/dbraw/zinc/56/02/35/1066560235.db2.gz WEEXZPDACVGMKX-UHFFFAOYSA-N 1 0 490.490 4.632 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(c4ccccc4Cl)CC3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001361222372 1066560930 /nfs/dbraw/zinc/56/09/30/1066560930.db2.gz AOXFVKLYEQRQEX-UHFFFAOYSA-N 1 0 457.022 4.557 20 0 JJADRO Cc1ccc(-c2nnc(N3CCN(c4ncc(Cl)cc4Cl)CC3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001361222782 1066561042 /nfs/dbraw/zinc/56/10/42/1066561042.db2.gz QPNYFQZZRADCDN-UHFFFAOYSA-N 1 0 492.455 4.605 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CCSCC(C)C)o1 ZINC001361223866 1066561535 /nfs/dbraw/zinc/56/15/35/1066561535.db2.gz AJEBPVFFSHEGDZ-HXUWFJFHSA-N 1 0 453.656 4.946 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001456342535 1066565841 /nfs/dbraw/zinc/56/58/41/1066565841.db2.gz OCDORLLHOFGYEK-JCTONOIOSA-N 1 0 459.556 4.949 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001546081609 1066565858 /nfs/dbraw/zinc/56/58/58/1066565858.db2.gz SODLGIORDNGUSA-RLWLMLJZSA-N 1 0 496.681 4.517 20 0 JJADRO Cc1cc(O[C@H](C)C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)ccc1C(C)C ZINC001456352382 1066567845 /nfs/dbraw/zinc/56/78/45/1066567845.db2.gz CVELZVVZFRFBCI-LJQANCHMSA-N 1 0 452.599 4.740 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC001361232755 1066573317 /nfs/dbraw/zinc/57/33/17/1066573317.db2.gz WSHWVJGRBILZEL-LQWHRVPQSA-N 1 0 478.454 4.931 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1Br ZINC001361232802 1066573917 /nfs/dbraw/zinc/57/39/17/1066573917.db2.gz YOWCQTKDHVLOHA-AYOQOUSVSA-N 1 0 476.394 4.706 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC001361234965 1066575348 /nfs/dbraw/zinc/57/53/48/1066575348.db2.gz RKKZFCSXQDSVCV-JOCHJYFZSA-N 1 0 451.615 4.807 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(SC)c(OC)c1)[NH+]1CCCC1 ZINC001545975512 1066575503 /nfs/dbraw/zinc/57/55/03/1066575503.db2.gz TYIIKGIEAUQOQC-IBGZPJMESA-N 1 0 454.644 4.515 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001361235572 1066575773 /nfs/dbraw/zinc/57/57/73/1066575773.db2.gz XFMPKFCAYFHOKD-CERRFVOPSA-N 1 0 483.701 4.945 20 0 JJADRO Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(Cl)cc3F)n2CCOCC[NH+](C)C)o1 ZINC001361236278 1066576846 /nfs/dbraw/zinc/57/68/46/1066576846.db2.gz ICZGSFHEQNPKPC-HXUWFJFHSA-N 1 0 461.969 4.559 20 0 JJADRO Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCCC[NH+]3CCCCC3)[C@H]2c2cccs2)cc1 ZINC001456397988 1066578309 /nfs/dbraw/zinc/57/83/09/1066578309.db2.gz BDFWWWCNTZWOLN-DHLKQENFSA-N 1 0 453.652 4.923 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001445516176 1066579657 /nfs/dbraw/zinc/57/96/57/1066579657.db2.gz NDBVQUPIUQNZMO-SJBKTWHCSA-N 1 0 459.675 4.931 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001361238926 1066580860 /nfs/dbraw/zinc/58/08/60/1066580860.db2.gz YYZRPNGOGNJFKE-GMAHTHKFSA-N 1 0 499.681 4.568 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445524444 1066581437 /nfs/dbraw/zinc/58/14/37/1066581437.db2.gz OKBXGSREBVHVJN-WCYRKSIYSA-N 1 0 455.643 4.537 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001445525124 1066582170 /nfs/dbraw/zinc/58/21/70/1066582170.db2.gz OYHGPWDFBYOVBC-HJOGWXRNSA-N 1 0 455.643 4.537 20 0 JJADRO O=C(CSCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001445527627 1066582480 /nfs/dbraw/zinc/58/24/80/1066582480.db2.gz URMNZMUBNQLDQX-FYYLOGMGSA-N 1 0 457.039 4.769 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445529644 1066582985 /nfs/dbraw/zinc/58/29/85/1066582985.db2.gz WNOOCEWUHVALCQ-AZOUXBGGSA-N 1 0 455.643 4.535 20 0 JJADRO O=C(CCOc1cccc(Br)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001445529637 1066583079 /nfs/dbraw/zinc/58/30/79/1066583079.db2.gz WMHQNSIBHOIEDQ-REWPJTCUSA-N 1 0 457.412 4.731 20 0 JJADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1 ZINC001456430554 1066583462 /nfs/dbraw/zinc/58/34/62/1066583462.db2.gz HBVHPIZVCNZFFZ-APTQZGAZSA-N 1 0 454.636 4.860 20 0 JJADRO O=C(/C(F)=C\c1ccc(C(F)(F)F)cc1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001456435882 1066585373 /nfs/dbraw/zinc/58/53/73/1066585373.db2.gz GLHUIHSBJHAFGM-OQKWZONESA-N 1 0 450.476 4.767 20 0 JJADRO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)C2)c1 ZINC001445567014 1066588314 /nfs/dbraw/zinc/58/83/14/1066588314.db2.gz KXYPDCRJCCXPHN-ZCYQVOJMSA-N 1 0 453.671 4.659 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC001445564891 1066588342 /nfs/dbraw/zinc/58/83/42/1066588342.db2.gz GICYFRRPFGKTRR-SFHVURJKSA-N 1 0 459.432 4.752 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC001445564868 1066588555 /nfs/dbraw/zinc/58/85/55/1066588555.db2.gz GICYFRRPFGKTRR-GOSISDBHSA-N 1 0 459.432 4.752 20 0 JJADRO Cc1c(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001456450895 1066590492 /nfs/dbraw/zinc/59/04/92/1066590492.db2.gz FTFHQMVYCZOOCP-UHFFFAOYSA-N 1 0 455.562 4.826 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@H+](C)C2CCCC2)o1 ZINC001361248802 1066592134 /nfs/dbraw/zinc/59/21/34/1066592134.db2.gz RNTFFGNGLSTPDJ-IBGZPJMESA-N 1 0 455.578 4.969 20 0 JJADRO Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCC2)s1 ZINC001361249843 1066594454 /nfs/dbraw/zinc/59/44/54/1066594454.db2.gz HNBDDQNJOKICGO-UHFFFAOYSA-N 1 0 477.476 4.538 20 0 JJADRO CCN(CC(C)C)c1nc(CC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cs1 ZINC001456483066 1066595114 /nfs/dbraw/zinc/59/51/14/1066595114.db2.gz RYDARSUYVCOLDG-UHFFFAOYSA-N 1 0 454.684 4.782 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Br)c(Cl)c1 ZINC001361253467 1066600962 /nfs/dbraw/zinc/60/09/62/1066600962.db2.gz VTHRCZNDBQIDDQ-UHFFFAOYSA-N 1 0 452.780 4.505 20 0 JJADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001456498819 1066601047 /nfs/dbraw/zinc/60/10/47/1066601047.db2.gz RRHHRGBRHHVSGG-UHFFFAOYSA-N 1 0 457.615 4.898 20 0 JJADRO COC1CC[NH+](C2(CNC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CCCC2)CC1 ZINC001456500211 1066601735 /nfs/dbraw/zinc/60/17/35/1066601735.db2.gz MVZUEADBOMYWRM-UHFFFAOYSA-N 1 0 451.489 4.514 20 0 JJADRO Cc1cccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@H+](C)C4)cc3)nc2)c1 ZINC001456499297 1066601753 /nfs/dbraw/zinc/60/17/53/1066601753.db2.gz JGQBPGCDQOZPIB-JOCHJYFZSA-N 1 0 458.562 4.601 20 0 JJADRO Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)c1 ZINC001456501079 1066602401 /nfs/dbraw/zinc/60/24/01/1066602401.db2.gz RGKJIAXZPIEIQQ-HSZRJFAPSA-N 1 0 451.611 4.692 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC001361258866 1066609057 /nfs/dbraw/zinc/60/90/57/1066609057.db2.gz HQFVFUNZXYKJRO-BGYRXZFFSA-N 1 0 452.672 4.638 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001546082975 1066609147 /nfs/dbraw/zinc/60/91/47/1066609147.db2.gz HBSZMHBSJYZBIB-UMTXDNHDSA-N 1 0 487.664 4.931 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361260957 1066610349 /nfs/dbraw/zinc/61/03/49/1066610349.db2.gz BWSZVOAUXXQDOU-MOPGFXCFSA-N 1 0 455.578 4.654 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC001361260985 1066610948 /nfs/dbraw/zinc/61/09/48/1066610948.db2.gz CPYBNAHENJUGRI-FQEVSTJZSA-N 1 0 455.578 4.654 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCOCC2)s1 ZINC001361261268 1066612821 /nfs/dbraw/zinc/61/28/21/1066612821.db2.gz NBNAITXJTFASFZ-UHFFFAOYSA-N 1 0 483.682 4.591 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC001361261862 1066614853 /nfs/dbraw/zinc/61/48/53/1066614853.db2.gz ZIFFOYNQFPQAAI-OALUTQOASA-N 1 0 487.645 4.502 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)CCc2nc3cc(Br)ccc3s2)C[N@@H+]1Cc1ccccc1 ZINC001445789395 1066617436 /nfs/dbraw/zinc/61/74/36/1066617436.db2.gz JSADIXUMCZJYIN-CRAIPNDOSA-N 1 0 458.425 4.771 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)CCc2nc3cc(Br)ccc3s2)C[N@@H+]1Cc1ccccc1 ZINC001445789398 1066617574 /nfs/dbraw/zinc/61/75/74/1066617574.db2.gz JSADIXUMCZJYIN-MAUKXSAKSA-N 1 0 458.425 4.771 20 0 JJADRO C[C@@]1(NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456543570 1066620795 /nfs/dbraw/zinc/62/07/95/1066620795.db2.gz YSBMRBNTWBURFB-BFLUCZKCSA-N 1 0 468.519 4.913 20 0 JJADRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)[C@@H](O)c1cccc(F)c1 ZINC001445827499 1066623807 /nfs/dbraw/zinc/62/38/07/1066623807.db2.gz VQQXGKQMIRVXNO-SXEIHZRZSA-N 1 0 466.984 4.933 20 0 JJADRO CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001546083355 1066627877 /nfs/dbraw/zinc/62/78/77/1066627877.db2.gz MJRVHVSKAGJMTC-QFQXNSOFSA-N 1 0 473.637 4.685 20 0 JJADRO COc1ccc(N(CCc2ccccc2)C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001456574813 1066629694 /nfs/dbraw/zinc/62/96/94/1066629694.db2.gz CZKPIFSQRJJWKI-UHFFFAOYSA-N 1 0 457.618 4.873 20 0 JJADRO O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001361277026 1066634862 /nfs/dbraw/zinc/63/48/62/1066634862.db2.gz NMFJQKZJCWJCTC-PNKHJUAGSA-N 1 0 458.046 4.648 20 0 JJADRO O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001361277024 1066634890 /nfs/dbraw/zinc/63/48/90/1066634890.db2.gz NMFJQKZJCWJCTC-CWDMDLBPSA-N 1 0 458.046 4.648 20 0 JJADRO COc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)ccc1NC(N)=O ZINC001445943918 1066639002 /nfs/dbraw/zinc/63/90/02/1066639002.db2.gz BNYNUYAKEPVHKV-FCHUYYIVSA-N 1 0 478.980 4.694 20 0 JJADRO CC(C)[N@@H+]1CC[C@H](C(=O)O[C@H]2CCOc3cc(Cl)cc(Cl)c32)[C@H](c2cnn(C)c2)C1 ZINC001361288025 1066646220 /nfs/dbraw/zinc/64/62/20/1066646220.db2.gz GFBGXGGEVNALJX-LNLFQRSKSA-N 1 0 452.382 4.608 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001492598636 1066647716 /nfs/dbraw/zinc/64/77/16/1066647716.db2.gz NJBAKDDKTKEBIP-YFNKSVMNSA-N 1 0 469.674 4.506 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001492598634 1066647880 /nfs/dbraw/zinc/64/78/80/1066647880.db2.gz NJBAKDDKTKEBIP-OEMFJLHTSA-N 1 0 469.674 4.506 20 0 JJADRO CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)n2)c(F)c1 ZINC001446094910 1066658789 /nfs/dbraw/zinc/65/87/89/1066658789.db2.gz IKFBDPODZWBZCR-HXUWFJFHSA-N 1 0 452.555 4.726 20 0 JJADRO Cc1cccnc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001492604778 1066661275 /nfs/dbraw/zinc/66/12/75/1066661275.db2.gz FJJJFEUCHAKMDV-UHFFFAOYSA-N 1 0 489.451 4.551 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC001492608267 1066668985 /nfs/dbraw/zinc/66/89/85/1066668985.db2.gz WZKIKQVBDWSHPV-HSZRJFAPSA-N 1 0 468.690 4.738 20 0 JJADRO CC1=CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001492608575 1066669019 /nfs/dbraw/zinc/66/90/19/1066669019.db2.gz DMXNGJUVHLWSNC-IBGZPJMESA-N 1 0 474.378 4.899 20 0 JJADRO CC1=CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001492608908 1066669876 /nfs/dbraw/zinc/66/98/76/1066669876.db2.gz JNXXLEYWGUSTSS-OAQYLSRUSA-N 1 0 458.448 4.984 20 0 JJADRO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001456708651 1066671368 /nfs/dbraw/zinc/67/13/68/1066671368.db2.gz CMMJDBABNMDPKG-WBVHZDCISA-N 1 0 456.578 4.888 20 0 JJADRO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001456708648 1066671382 /nfs/dbraw/zinc/67/13/82/1066671382.db2.gz CMMJDBABNMDPKG-DOTOQJQBSA-N 1 0 456.578 4.888 20 0 JJADRO C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@H]1c1ccc(F)cc1 ZINC001446191871 1066672726 /nfs/dbraw/zinc/67/27/26/1066672726.db2.gz KVGBTJXDVTYSRD-YLJYHZDGSA-N 1 0 455.755 4.572 20 0 JJADRO CC1=CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001492610799 1066672887 /nfs/dbraw/zinc/67/28/87/1066672887.db2.gz IEAUQCFBSYLZCV-BJKOFHAPSA-N 1 0 494.684 4.852 20 0 JJADRO C[N@@H+]1CC[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001446196447 1066674356 /nfs/dbraw/zinc/67/43/56/1066674356.db2.gz SLWNANPPOMGTCV-UGKGYDQZSA-N 1 0 458.603 4.513 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001492613549 1066676086 /nfs/dbraw/zinc/67/60/86/1066676086.db2.gz YVCIRZVBTAGXGU-DEOSSOPVSA-N 1 0 481.685 4.802 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC001456733414 1066676824 /nfs/dbraw/zinc/67/68/24/1066676824.db2.gz IAEXQMUWVWXHKD-FQEVSTJZSA-N 1 0 453.533 4.923 20 0 JJADRO CCCOc1ccc(C(=O)CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1 ZINC001446240562 1066678157 /nfs/dbraw/zinc/67/81/57/1066678157.db2.gz MGVKPOKLSNPVJB-DNQXCXABSA-N 1 0 462.615 4.752 20 0 JJADRO C[C@@H]1C[C@@H](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)C[N@@H+]1Cc1ccccc1 ZINC001446263616 1066681266 /nfs/dbraw/zinc/68/12/66/1066681266.db2.gz UVBHLQBEJSZHSR-IEBWSBKVSA-N 1 0 454.412 4.890 20 0 JJADRO Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC001446277990 1066683828 /nfs/dbraw/zinc/68/38/28/1066683828.db2.gz AZNKPXLOPGUWSC-RLWLMLJZSA-N 1 0 450.529 4.553 20 0 JJADRO Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC001446277982 1066683890 /nfs/dbraw/zinc/68/38/90/1066683890.db2.gz AZNKPXLOPGUWSC-QFQXNSOFSA-N 1 0 450.529 4.553 20 0 JJADRO CC1=CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001492619714 1066688135 /nfs/dbraw/zinc/68/81/35/1066688135.db2.gz HCRPOZXKHOJLHD-OYRHEFFESA-N 1 0 455.622 4.909 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(Br)c(F)cc1F ZINC001446324328 1066690393 /nfs/dbraw/zinc/69/03/93/1066690393.db2.gz PUKSHVFBKSYALK-OAHLLOKOSA-N 1 0 453.327 4.560 20 0 JJADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001446323125 1066690497 /nfs/dbraw/zinc/69/04/97/1066690497.db2.gz MRVGIZWDJNIIOA-RUZDIDTESA-N 1 0 457.574 4.771 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC001492620679 1066690849 /nfs/dbraw/zinc/69/08/49/1066690849.db2.gz JQIVXMGXUSKHBA-GOTSBHOMSA-N 1 0 455.695 4.868 20 0 JJADRO Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccc(F)cc3)[NH+](C)C)CC2)c1 ZINC001492622578 1066694316 /nfs/dbraw/zinc/69/43/16/1066694316.db2.gz OUVSGHACTGZILV-XMMPIXPASA-N 1 0 481.664 4.730 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cc1 ZINC001446351736 1066694913 /nfs/dbraw/zinc/69/49/13/1066694913.db2.gz LINMEZRUNJLXRL-QHCPKHFHSA-N 1 0 458.002 4.900 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)CC1 ZINC001446354601 1066695639 /nfs/dbraw/zinc/69/56/39/1066695639.db2.gz JUVBQEBBATWWIO-UHFFFAOYSA-N 1 0 451.405 4.714 20 0 JJADRO O=C([C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446390190 1066701038 /nfs/dbraw/zinc/70/10/38/1066701038.db2.gz HCSJWMHWKNFKNN-MOPGFXCFSA-N 1 0 451.558 4.823 20 0 JJADRO Cc1cnc([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC001492630162 1066705107 /nfs/dbraw/zinc/70/51/07/1066705107.db2.gz OWHBCCPFKCPRHP-MRXNPFEDSA-N 1 0 474.078 4.873 20 0 JJADRO CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(CC)C1)[NH+]1CCCC1 ZINC001545986319 1066707394 /nfs/dbraw/zinc/70/73/94/1066707394.db2.gz CVJYISPATZAVDT-OREGWCPLSA-N 1 0 488.721 4.893 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C(C)C)[NH+]1CCCC1 ZINC001545986345 1066707466 /nfs/dbraw/zinc/70/74/66/1066707466.db2.gz DNDIAZHTYSCTTE-NHCUHLMSSA-N 1 0 462.683 4.502 20 0 JJADRO CC[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1)[NH+]1CCCC1 ZINC001545986404 1066707890 /nfs/dbraw/zinc/70/78/90/1066707890.db2.gz FMERITCCUKLDIO-VXKWHMMOSA-N 1 0 488.721 4.893 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1)[NH+]1CCCC1 ZINC001545986403 1066707914 /nfs/dbraw/zinc/70/79/14/1066707914.db2.gz FMERITCCUKLDIO-FGZHOGPDSA-N 1 0 488.721 4.893 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)C1 ZINC001446511942 1066713005 /nfs/dbraw/zinc/71/30/05/1066713005.db2.gz VTLUBZFGLFUZLC-JOCHJYFZSA-N 1 0 459.700 4.573 20 0 JJADRO Cc1c(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001446518790 1066713325 /nfs/dbraw/zinc/71/33/25/1066713325.db2.gz SBZYYNIQXAHMTK-INIZCTEOSA-N 1 0 457.500 4.550 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1csc(NC(=O)OC(C)(C)C)n1 ZINC001456909298 1066718367 /nfs/dbraw/zinc/71/83/67/1066718367.db2.gz ZBAMGKZSCNWFEQ-UYAOXDASSA-N 1 0 458.628 4.655 20 0 JJADRO Cc1coc(C)c1Cn1c(CCOc2ccccc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492635916 1066719503 /nfs/dbraw/zinc/71/95/03/1066719503.db2.gz FFVZSAKVQNJOSR-UHFFFAOYSA-N 1 0 465.642 4.716 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001546085653 1066724479 /nfs/dbraw/zinc/72/44/79/1066724479.db2.gz PJJZIHKXBLEXRS-GAJHUEQPSA-N 1 0 494.453 4.584 20 0 JJADRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001446615795 1066726119 /nfs/dbraw/zinc/72/61/19/1066726119.db2.gz NOBWWKFILWTJRO-KXTRFFEISA-N 1 0 455.643 4.508 20 0 JJADRO Cc1csc([C@H](C)Cn2c(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)nnc2C(C)(C)C)n1 ZINC001492638440 1066726572 /nfs/dbraw/zinc/72/65/72/1066726572.db2.gz HMJUBBUWJCFXGJ-UYAOXDASSA-N 1 0 452.672 4.855 20 0 JJADRO Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CCO2)n1 ZINC001492640833 1066732924 /nfs/dbraw/zinc/73/29/24/1066732924.db2.gz FADSRHYENIYQJC-ZJOUEHCJSA-N 1 0 488.746 4.966 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)CC1)CC(C)C ZINC001446772366 1066737644 /nfs/dbraw/zinc/73/76/44/1066737644.db2.gz WQRGQMCDVFXYHJ-UHFFFAOYSA-N 1 0 456.627 4.649 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1)CC1CC1 ZINC001446781691 1066737982 /nfs/dbraw/zinc/73/79/82/1066737982.db2.gz LQBZSMLPOYZSSB-UHFFFAOYSA-N 1 0 450.505 4.730 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2cc(NC(=O)OC)cc(C(F)(F)F)c2)CC1)CC1CC1 ZINC001446780826 1066738023 /nfs/dbraw/zinc/73/80/23/1066738023.db2.gz IRTRWKAAQKZYGX-UHFFFAOYSA-N 1 0 455.521 4.858 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(OCc2ccccc2)cs1 ZINC001457007359 1066740158 /nfs/dbraw/zinc/74/01/58/1066740158.db2.gz FALHCVQWQSKNLS-UHFFFAOYSA-N 1 0 451.592 4.730 20 0 JJADRO Cc1csc(CCCCn2c(C(C)C)nnc2N2CC[NH+](CCc3cccs3)CC2)n1 ZINC001492643742 1066740094 /nfs/dbraw/zinc/74/00/94/1066740094.db2.gz CBWYDZMGGFZOHN-UHFFFAOYSA-N 1 0 458.701 4.616 20 0 JJADRO Cc1csc(CCCCn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001492644300 1066741646 /nfs/dbraw/zinc/74/16/46/1066741646.db2.gz ZQWIUNMNFBOBJY-OAQYLSRUSA-N 1 0 474.719 4.518 20 0 JJADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC001457014167 1066742701 /nfs/dbraw/zinc/74/27/01/1066742701.db2.gz ZMSYJSXXHZCMAS-OAHLLOKOSA-N 1 0 452.382 4.550 20 0 JJADRO Cc1csc(CCCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001492644701 1066743307 /nfs/dbraw/zinc/74/33/07/1066743307.db2.gz XBLHWTWTOVLDNC-FQEVSTJZSA-N 1 0 486.661 4.875 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001492645826 1066747634 /nfs/dbraw/zinc/74/76/34/1066747634.db2.gz KJJHVMHPHBBDMA-IBGZPJMESA-N 1 0 492.064 4.981 20 0 JJADRO CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC[C@H]1C)[NH+]1CCCC1 ZINC001545990377 1066750537 /nfs/dbraw/zinc/75/05/37/1066750537.db2.gz RRNBEBHLMAFJQH-MQSCRBSSSA-N 1 0 488.721 4.892 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1ccc(OCC(F)(F)F)cn1)Cc1ccccc1 ZINC001457041768 1066750534 /nfs/dbraw/zinc/75/05/34/1066750534.db2.gz WIFNTDSICRDFRV-UHFFFAOYSA-N 1 0 457.496 4.797 20 0 JJADRO CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC[C@H]1C)[NH+]1CCCC1 ZINC001545990379 1066750968 /nfs/dbraw/zinc/75/09/68/1066750968.db2.gz RRNBEBHLMAFJQH-QZNHQXDQSA-N 1 0 488.721 4.892 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC001492647168 1066751106 /nfs/dbraw/zinc/75/11/06/1066751106.db2.gz YPKGARDSWHIBQZ-UGKGYDQZSA-N 1 0 457.619 4.620 20 0 JJADRO CCN1CCC([NH+]2CCC(C(=O)NCCSCc3ccc(Cl)cc3Cl)CC2)CC1 ZINC001446877213 1066751832 /nfs/dbraw/zinc/75/18/32/1066751832.db2.gz BKWANFZAOYPCOP-UHFFFAOYSA-N 1 0 458.499 4.539 20 0 JJADRO Cc1csc(CN(C)c2nnc(CCCc3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001492648326 1066753363 /nfs/dbraw/zinc/75/33/63/1066753363.db2.gz QWOZTDKNTSPHJO-RUZDIDTESA-N 1 0 469.724 4.897 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001546086951 1066758817 /nfs/dbraw/zinc/75/88/17/1066758817.db2.gz BVTYOAHSWNXCSZ-YHGPEZAFSA-N 1 0 499.700 4.724 20 0 JJADRO CCCc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nnn1-c1cccc(C(C)C)c1 ZINC001457095142 1066760336 /nfs/dbraw/zinc/76/03/36/1066760336.db2.gz LJZYMVINWCKXGW-BWKNWUBXSA-N 1 0 459.638 4.984 20 0 JJADRO Cc1csc(N2CCN(c3nnc(-c4ccccc4Cl)n3C[C@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001492652630 1066760337 /nfs/dbraw/zinc/76/03/37/1066760337.db2.gz XKZSHJQVDFCZJN-IBGZPJMESA-N 1 0 488.105 4.666 20 0 JJADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC001446979535 1066760719 /nfs/dbraw/zinc/76/07/19/1066760719.db2.gz GTZQSWFBKYRZBM-QFIPXVFZSA-N 1 0 453.631 4.593 20 0 JJADRO Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)n1 ZINC001492652907 1066761325 /nfs/dbraw/zinc/76/13/25/1066761325.db2.gz QNMQKXWVQIJZHY-SFTDATJTSA-N 1 0 487.762 4.716 20 0 JJADRO Cc1nc(C)c(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](CC(C)C)CC2)s1 ZINC001492655424 1066766352 /nfs/dbraw/zinc/76/63/52/1066766352.db2.gz QTBNARQOFWNBFN-IBGZPJMESA-N 1 0 486.661 4.651 20 0 JJADRO O=C(CSc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)Nc1ccc(F)cc1 ZINC001457123237 1066767064 /nfs/dbraw/zinc/76/70/64/1066767064.db2.gz MEYSVJIBJVRDGU-OAQYLSRUSA-N 1 0 455.599 4.551 20 0 JJADRO C[NH+](C)CCOCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC001447025356 1066767465 /nfs/dbraw/zinc/76/74/65/1066767465.db2.gz AZZPWCBNRBOIFE-UHFFFAOYSA-N 1 0 454.574 4.514 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC(=O)NCC23CCC(CC2)C3)CC[NH+](Cc2ccccc2)CC1 ZINC001447108284 1066774311 /nfs/dbraw/zinc/77/43/11/1066774311.db2.gz ZTLYZBVQIVACBR-UHFFFAOYSA-N 1 0 455.643 4.633 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+](C)C2CCCCC2)CCO1 ZINC001546087990 1066778639 /nfs/dbraw/zinc/77/86/39/1066778639.db2.gz XWWWORONTOEXQD-DEOSSOPVSA-N 1 0 461.054 4.653 20 0 JJADRO C[C@](O)(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001447195011 1066781940 /nfs/dbraw/zinc/78/19/40/1066781940.db2.gz MNRORWPZJKQKFB-WEWMWRJBSA-N 1 0 466.984 4.719 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CCC[NH+]2CCCCC2)cs1 ZINC001492662882 1066782947 /nfs/dbraw/zinc/78/29/47/1066782947.db2.gz ZDRFKVJLXDPCNG-GOSISDBHSA-N 1 0 456.635 4.846 20 0 JJADRO CCCOc1c(Br)cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC001457194337 1066784386 /nfs/dbraw/zinc/78/43/86/1066784386.db2.gz AXXGOLSZMMQVAC-UHFFFAOYSA-N 1 0 453.421 4.773 20 0 JJADRO CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)(C(F)(F)F)CC1 ZINC001447233536 1066784544 /nfs/dbraw/zinc/78/45/44/1066784544.db2.gz UDLPMQXTTYTVLU-UHFFFAOYSA-N 1 0 453.505 4.683 20 0 JJADRO CC(C)C[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N(C)C(=O)OC(C)(C)C ZINC001447257619 1066785465 /nfs/dbraw/zinc/78/54/65/1066785465.db2.gz FYXQZSFCALTHGT-QHCPKHFHSA-N 1 0 457.659 4.783 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CC(C)(C)[NH+]2CCCCC2)cs1 ZINC001492664713 1066785396 /nfs/dbraw/zinc/78/53/96/1066785396.db2.gz OOAHHLPUSASRFN-KRWDZBQOSA-N 1 0 473.716 4.595 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2CC[NH+]2CCCC2)cs1 ZINC001492666446 1066791425 /nfs/dbraw/zinc/79/14/25/1066791425.db2.gz UILJQOCWMMKKQX-UHFFFAOYSA-N 1 0 482.551 4.524 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC(C)(C)[NH+]2CCCCC2)cs1 ZINC001492666445 1066791569 /nfs/dbraw/zinc/79/15/69/1066791569.db2.gz UHYGTXCZPXPYMW-UHFFFAOYSA-N 1 0 492.615 4.952 20 0 JJADRO CC(C)C[NH+]1CCC(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CC1 ZINC001447322800 1066792572 /nfs/dbraw/zinc/79/25/72/1066792572.db2.gz SADLFLWIDMETDX-DEOSSOPVSA-N 1 0 453.627 4.890 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3csc(C)n3)n2CCCC[N@H+]2CCCC[C@H]2C)s1 ZINC001492666732 1066794006 /nfs/dbraw/zinc/79/40/06/1066794006.db2.gz GDOGFUMCIMUCOS-QGZVFWFLSA-N 1 0 473.716 4.690 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC001457227673 1066794423 /nfs/dbraw/zinc/79/44/23/1066794423.db2.gz KJDYXRNGLIDKAY-YOEHRIQHSA-N 1 0 453.327 4.833 20 0 JJADRO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001457231300 1066795382 /nfs/dbraw/zinc/79/53/82/1066795382.db2.gz STFCERQGXVIEQJ-ZJSXRUAMSA-N 1 0 458.606 4.962 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)COc2ccc(Br)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001457237233 1066796504 /nfs/dbraw/zinc/79/65/04/1066796504.db2.gz HLPNYDDOIIHUBF-QAPCUYQASA-N 1 0 451.792 4.651 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2CC2([NH+](C)C)CCCCC2)cs1 ZINC001492669451 1066797707 /nfs/dbraw/zinc/79/77/07/1066797707.db2.gz WHLIGFBLVSYTMT-UHFFFAOYSA-N 1 0 486.661 4.553 20 0 JJADRO CS[C@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)C[C@H]1[NH+]1CCCC1 ZINC001447362512 1066798588 /nfs/dbraw/zinc/79/85/88/1066798588.db2.gz MFJHXSWMWWDOQH-APWZRJJASA-N 1 0 451.455 4.829 20 0 JJADRO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1)[NH+]1CCCC1 ZINC001545995093 1066800789 /nfs/dbraw/zinc/80/07/89/1066800789.db2.gz MDBCFWTZLQTDAP-BKMJKUGQSA-N 1 0 474.093 4.578 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@H](c4ccccc4)C[C@H]3C)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001492671739 1066803300 /nfs/dbraw/zinc/80/33/00/1066803300.db2.gz DCZYKFKFMISZSN-WIYYLYMNSA-N 1 0 452.672 4.604 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)n2CCSC(F)(F)F)cs1 ZINC001492674639 1066809578 /nfs/dbraw/zinc/80/95/78/1066809578.db2.gz FCRGEDPUEYBUEX-LJQANCHMSA-N 1 0 496.628 4.598 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(C)(C)c2cccs2)cs1 ZINC001492676108 1066811971 /nfs/dbraw/zinc/81/19/71/1066811971.db2.gz UZBIAUMXDONGIV-UHFFFAOYSA-N 1 0 458.701 4.640 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(Nc4ccccc4Cl)CC3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001492676116 1066812038 /nfs/dbraw/zinc/81/20/38/1066812038.db2.gz VBPVABIUCOUJKY-UHFFFAOYSA-N 1 0 488.105 4.708 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC001492676302 1066812625 /nfs/dbraw/zinc/81/26/25/1066812625.db2.gz BHYLKBXUURWSEF-CEXJFXJFSA-N 1 0 466.646 4.626 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)[NH+]1CCCC1 ZINC001545996953 1066817239 /nfs/dbraw/zinc/81/72/39/1066817239.db2.gz HJSFGOSSJVIQQD-RBBKRZOGSA-N 1 0 477.600 4.530 20 0 JJADRO O=C(OCc1cc(F)cc(Br)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001457382814 1066819410 /nfs/dbraw/zinc/81/94/10/1066819410.db2.gz GMEKOVGYLQBSHO-XZOQPEGZSA-N 1 0 469.354 4.942 20 0 JJADRO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)OC ZINC001545997240 1066821402 /nfs/dbraw/zinc/82/14/02/1066821402.db2.gz LSDZOZBUMBVXBV-OFVILXPXSA-N 1 0 471.665 4.914 20 0 JJADRO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC001447566286 1066822653 /nfs/dbraw/zinc/82/26/53/1066822653.db2.gz YRONBSQSRGNNHV-HNNXBMFYSA-N 1 0 454.562 4.714 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492681190 1066823658 /nfs/dbraw/zinc/82/36/58/1066823658.db2.gz OCLYYRRKZKKHJV-UHFFFAOYSA-N 1 0 484.636 4.923 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCC[NH+]2CCC(C)CC2)cs1 ZINC001492682419 1066824817 /nfs/dbraw/zinc/82/48/17/1066824817.db2.gz XJRPNOSQTWYQOA-SANMLTNESA-N 1 0 488.746 4.787 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCC[NH+]2CCC(C)CC2)cs1 ZINC001492682418 1066824951 /nfs/dbraw/zinc/82/49/51/1066824951.db2.gz XJRPNOSQTWYQOA-AREMUKBSSA-N 1 0 488.746 4.787 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545997991 1066826127 /nfs/dbraw/zinc/82/61/27/1066826127.db2.gz ZSZHPGRAAGOQQW-BVYCBKJFSA-N 1 0 463.592 4.948 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545997992 1066826158 /nfs/dbraw/zinc/82/61/58/1066826158.db2.gz ZSZHPGRAAGOQQW-STZQEDGTSA-N 1 0 463.592 4.948 20 0 JJADRO C[C@H](CCNC(=O)c1ccc(I)cc1Cl)[N@H+](C)Cc1ccccc1 ZINC001457420091 1066827398 /nfs/dbraw/zinc/82/73/98/1066827398.db2.gz AFWHXTIZFJYZIA-CQSZACIVSA-N 1 0 456.755 4.585 20 0 JJADRO C[C@H](CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001457421993 1066827933 /nfs/dbraw/zinc/82/79/33/1066827933.db2.gz MKGKLPBJDDJLGW-AZOUXBGGSA-N 1 0 457.659 4.972 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)[NH+]1CCCC1 ZINC001545997470 1066829831 /nfs/dbraw/zinc/82/98/31/1066829831.db2.gz PGBJPDUHWSMEHJ-QZTJIDSGSA-N 1 0 452.068 4.644 20 0 JJADRO Cc1nc(C[C@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)C2)no1 ZINC001492686253 1066830872 /nfs/dbraw/zinc/83/08/72/1066830872.db2.gz XDYCSBCUCYNPMY-FYYLOGMGSA-N 1 0 495.672 4.526 20 0 JJADRO C[NH+](C)CCSc1nc(CC(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)cs1 ZINC001447633187 1066832990 /nfs/dbraw/zinc/83/29/90/1066832990.db2.gz LIGGMVYENZNIBD-UHFFFAOYSA-N 1 0 450.649 4.888 20 0 JJADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001457462397 1066835894 /nfs/dbraw/zinc/83/58/94/1066835894.db2.gz GRPMLLLOSXMIJI-DHIUTWEWSA-N 1 0 456.428 4.539 20 0 JJADRO CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+]1CCCC1 ZINC001545999359 1066842798 /nfs/dbraw/zinc/84/27/98/1066842798.db2.gz LRZROHKDWGBIRF-HXUWFJFHSA-N 1 0 456.997 4.567 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@H](C2CC2)[NH+](C)C)s1 ZINC001492695652 1066842964 /nfs/dbraw/zinc/84/29/64/1066842964.db2.gz KAGAEIDMXMIKOZ-OAHLLOKOSA-N 1 0 481.489 4.511 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2CCCC[C@H]2C)s1 ZINC001492695891 1066843953 /nfs/dbraw/zinc/84/39/53/1066843953.db2.gz CNEYKGSFAASITO-OAHLLOKOSA-N 1 0 492.491 4.702 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)Cc2ccc(Br)cc2O)cc1 ZINC001457501133 1066844141 /nfs/dbraw/zinc/84/41/41/1066844141.db2.gz AQJJEUYCNPXJNL-UHFFFAOYSA-N 1 0 453.380 4.742 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)[N@H+](C)C2CC2)s1 ZINC001492696227 1066845865 /nfs/dbraw/zinc/84/58/65/1066845865.db2.gz YMLOFDJAGXFZRN-ZDUSSCGKSA-N 1 0 493.450 4.731 20 0 JJADRO Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCC(C)CC2)s1 ZINC001492696320 1066846453 /nfs/dbraw/zinc/84/64/53/1066846453.db2.gz JRFORFICXCNGHY-SFHVURJKSA-N 1 0 472.634 4.690 20 0 JJADRO Cc1ncc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCCC2)s1 ZINC001492696398 1066846586 /nfs/dbraw/zinc/84/65/86/1066846586.db2.gz MJKXANYUHHYMHM-FQEVSTJZSA-N 1 0 468.671 4.922 20 0 JJADRO CN(CCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C(=O)OC(C)(C)C ZINC001457517376 1066849633 /nfs/dbraw/zinc/84/96/33/1066849633.db2.gz MQLSZQCJDNWRBG-UHFFFAOYSA-N 1 0 451.611 4.823 20 0 JJADRO Cc1ncc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)s1 ZINC001492698533 1066851476 /nfs/dbraw/zinc/85/14/76/1066851476.db2.gz AOYOHJGXTFOHPO-SFHVURJKSA-N 1 0 468.671 4.607 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2CCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC001492698586 1066852442 /nfs/dbraw/zinc/85/24/42/1066852442.db2.gz CLNYKKJKAROVOT-SFHVURJKSA-N 1 0 458.701 4.844 20 0 JJADRO Cc1cc(-c2cc(C(=O)NCc3ccc(CC[NH+](C)C)cc3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001447754770 1066853491 /nfs/dbraw/zinc/85/34/91/1066853491.db2.gz WUFUJODJIZTVMF-UHFFFAOYSA-N 1 0 459.594 4.923 20 0 JJADRO COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC001447754908 1066854357 /nfs/dbraw/zinc/85/43/57/1066854357.db2.gz ZAAFWXJCIJSZJX-UHFFFAOYSA-N 1 0 454.574 4.582 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001457538700 1066855072 /nfs/dbraw/zinc/85/50/72/1066855072.db2.gz YZNVPKYWRCLIGF-IBGZPJMESA-N 1 0 451.489 4.972 20 0 JJADRO CN(C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457549547 1066858507 /nfs/dbraw/zinc/85/85/07/1066858507.db2.gz TVJIJYGGJWNCSO-JOCHJYFZSA-N 1 0 456.512 4.687 20 0 JJADRO CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)c2C1 ZINC001447794973 1066859763 /nfs/dbraw/zinc/85/97/63/1066859763.db2.gz FYHVLAHUYFVQAR-UXHICEINSA-N 1 0 451.655 4.693 20 0 JJADRO COc1ccc(/C=C(/C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c2cccs2)cc1 ZINC001457561404 1066861276 /nfs/dbraw/zinc/86/12/76/1066861276.db2.gz ISKKGIUNVSZLPX-PTGBLXJZSA-N 1 0 454.636 4.696 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(O)c3)c(OCC)c2)CC1 ZINC001447802820 1066862347 /nfs/dbraw/zinc/86/23/47/1066862347.db2.gz NZEBSECYTVAIBW-UHFFFAOYSA-N 1 0 451.489 4.594 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)[NH+](C)C ZINC001447818796 1066865554 /nfs/dbraw/zinc/86/55/54/1066865554.db2.gz OGLGNARQGIVRQY-IDISGSTGSA-N 1 0 453.590 4.723 20 0 JJADRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC001457569050 1066865957 /nfs/dbraw/zinc/86/59/57/1066865957.db2.gz YYRBOHXMQSXGSJ-RTBURBONSA-N 1 0 451.014 4.780 20 0 JJADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001447827879 1066866456 /nfs/dbraw/zinc/86/64/56/1066866456.db2.gz IMCLRLPXJIZVAY-UHFFFAOYSA-N 1 0 450.352 4.724 20 0 JJADRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3cc(Br)ccc3OC(F)F)c2)C1 ZINC001457588364 1066871998 /nfs/dbraw/zinc/87/19/98/1066871998.db2.gz RJSOATDINZQDCY-MRXNPFEDSA-N 1 0 453.327 4.790 20 0 JJADRO Cc1nccn1CCCn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C ZINC001492709891 1066874559 /nfs/dbraw/zinc/87/45/59/1066874559.db2.gz XBLWLXBFGARIGJ-QPPBQGQZSA-N 1 0 463.674 4.660 20 0 JJADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)COc1ccc(Cl)cc1Br ZINC001457609352 1066877253 /nfs/dbraw/zinc/87/72/53/1066877253.db2.gz CUAJKODAGUJKQN-UHFFFAOYSA-N 1 0 459.837 4.913 20 0 JJADRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cnn1-c1ccc(Br)cc1 ZINC001457608700 1066877312 /nfs/dbraw/zinc/87/73/12/1066877312.db2.gz GBQJFRWQOGJYFH-NRFANRHFSA-N 1 0 459.432 4.718 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001492716685 1066882527 /nfs/dbraw/zinc/88/25/27/1066882527.db2.gz TYQWDFKTPIRBFB-HYBUGGRVSA-N 1 0 463.674 4.689 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[NH+](C(C)C)C(C)C ZINC001492717322 1066884253 /nfs/dbraw/zinc/88/42/53/1066884253.db2.gz RBFCFJNZUQOFCR-UHFFFAOYSA-N 1 0 477.701 4.854 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001492717338 1066884292 /nfs/dbraw/zinc/88/42/92/1066884292.db2.gz RMASFMSNYRZWPZ-KRWDZBQOSA-N 1 0 488.055 4.989 20 0 JJADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001457640227 1066889321 /nfs/dbraw/zinc/88/93/21/1066889321.db2.gz MJCFWHYMLNCMMQ-HSZRJFAPSA-N 1 0 453.583 4.666 20 0 JJADRO CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)CC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001546002059 1066889313 /nfs/dbraw/zinc/88/93/13/1066889313.db2.gz YVBGOPZYKPAWSD-QHCPKHFHSA-N 1 0 466.699 4.953 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[NH+]1CCCC1 ZINC001492720209 1066889539 /nfs/dbraw/zinc/88/95/39/1066889539.db2.gz HUOSOBZLBWZEHF-UHFFFAOYSA-N 1 0 488.105 4.696 20 0 JJADRO O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001448008950 1066889873 /nfs/dbraw/zinc/88/98/73/1066889873.db2.gz YFLKQXJUMZKKCS-WMZHIEFXSA-N 1 0 456.428 4.899 20 0 JJADRO Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001492720478 1066889984 /nfs/dbraw/zinc/88/99/84/1066889984.db2.gz PUWANIHTVBEUFS-NRFANRHFSA-N 1 0 497.663 4.514 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001448029191 1066892089 /nfs/dbraw/zinc/89/20/89/1066892089.db2.gz QLWZEKONZWLCSM-OPAMFIHVSA-N 1 0 455.400 4.673 20 0 JJADRO CO[C@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccccc1Br ZINC001448060046 1066895203 /nfs/dbraw/zinc/89/52/03/1066895203.db2.gz DKVASPFYKOVNEF-MSOLQXFVSA-N 1 0 459.306 4.575 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1NC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001448070678 1066896350 /nfs/dbraw/zinc/89/63/50/1066896350.db2.gz WIMXXTCKHOFNRB-JOCHJYFZSA-N 1 0 455.480 4.990 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[NH+]3C[C@@H](C)C[C@H](C)C3)C2)n1 ZINC001492729050 1066898693 /nfs/dbraw/zinc/89/86/93/1066898693.db2.gz SPHSCXLXRYJVGA-AWRGLXIESA-N 1 0 469.722 4.989 20 0 JJADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccccc4Cl)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001492730019 1066900237 /nfs/dbraw/zinc/90/02/37/1066900237.db2.gz OJIWZYXHZMXNTC-NRFANRHFSA-N 1 0 470.065 4.984 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccccc4C)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001492731192 1066901963 /nfs/dbraw/zinc/90/19/63/1066901963.db2.gz NPAABUALBCSOKI-RUZDIDTESA-N 1 0 463.674 4.562 20 0 JJADRO COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC001448127270 1066903014 /nfs/dbraw/zinc/90/30/14/1066903014.db2.gz ULHYRBIXLXZBCK-SANMLTNESA-N 1 0 457.574 4.588 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492732810 1066906243 /nfs/dbraw/zinc/90/62/43/1066906243.db2.gz WKMAUZSWJJMMRR-PQNGQFLHSA-N 1 0 463.674 4.705 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n2CCC(C)(F)F)n1 ZINC001492733265 1066906484 /nfs/dbraw/zinc/90/64/84/1066906484.db2.gz GPPZDQOXZRQTQR-NFBKMPQASA-N 1 0 485.627 4.674 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001492735399 1066908919 /nfs/dbraw/zinc/90/89/19/1066908919.db2.gz VCXANPVNTPAOHX-UHFFFAOYSA-N 1 0 485.627 4.709 20 0 JJADRO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)c1ccc(OCC2CC2)c(F)c1 ZINC001457743864 1066909324 /nfs/dbraw/zinc/90/93/24/1066909324.db2.gz WLGGHNVSJIBEEW-SFHVURJKSA-N 1 0 450.558 4.531 20 0 JJADRO CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001457744596 1066909355 /nfs/dbraw/zinc/90/93/55/1066909355.db2.gz NDCBSSUTJVYNOG-UHFFFAOYSA-N 1 0 450.505 4.590 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C(F)(F)c2ccccc2C)cc1Cl ZINC001457753085 1066911938 /nfs/dbraw/zinc/91/19/38/1066911938.db2.gz OSRWFQFTTUEWSV-UHFFFAOYSA-N 1 0 451.945 4.841 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CC=CCC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492737680 1066912819 /nfs/dbraw/zinc/91/28/19/1066912819.db2.gz BCHDLVDJLYDNED-TZBSWOFLSA-N 1 0 467.706 4.690 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)CC3CCCC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492737860 1066913238 /nfs/dbraw/zinc/91/32/38/1066913238.db2.gz GDDKRRHGGYAVQX-SFTDATJTSA-N 1 0 455.695 4.524 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CC=CCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC001492737801 1066913283 /nfs/dbraw/zinc/91/32/83/1066913283.db2.gz DIPGLYJMQYGUNU-XMMPIXPASA-N 1 0 475.685 4.821 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC001492738706 1066913573 /nfs/dbraw/zinc/91/35/73/1066913573.db2.gz HEPWRKRNOCHIOE-NQIIRXRSSA-N 1 0 495.619 4.673 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC001492738708 1066913607 /nfs/dbraw/zinc/91/36/07/1066913607.db2.gz HEPWRKRNOCHIOE-WIYYLYMNSA-N 1 0 495.619 4.673 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC001492739141 1066914169 /nfs/dbraw/zinc/91/41/69/1066914169.db2.gz XFKSDEWUTJXVEX-UHFFFAOYSA-N 1 0 489.590 4.563 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492740103 1066914784 /nfs/dbraw/zinc/91/47/84/1066914784.db2.gz IQHAHQWCJHNSSQ-VJBMBRPKSA-N 1 0 455.695 4.665 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492740100 1066914838 /nfs/dbraw/zinc/91/48/38/1066914838.db2.gz IQHAHQWCJHNSSQ-OIBXWCBGSA-N 1 0 455.695 4.665 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492741154 1066916698 /nfs/dbraw/zinc/91/66/98/1066916698.db2.gz UKOWOCOSEITSMQ-NHCUHLMSSA-N 1 0 483.730 4.984 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@H](c2ccco2)[NH+](C)C)n1 ZINC001492741371 1066917138 /nfs/dbraw/zinc/91/71/38/1066917138.db2.gz ZCOUBEPKIANYHX-HSZRJFAPSA-N 1 0 479.604 4.590 20 0 JJADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC001457787947 1066920244 /nfs/dbraw/zinc/92/02/44/1066920244.db2.gz MVLKDUPEHXUBFV-UHFFFAOYSA-N 1 0 453.384 4.850 20 0 JJADRO CC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546005391 1066921548 /nfs/dbraw/zinc/92/15/48/1066921548.db2.gz AXARBUXALAGRRY-DHIUTWEWSA-N 1 0 488.721 4.578 20 0 JJADRO CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546005393 1066921567 /nfs/dbraw/zinc/92/15/67/1066921567.db2.gz AXARBUXALAGRRY-PKTZIBPZSA-N 1 0 488.721 4.578 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C2CC(C(C)(C)C)C2)n1 ZINC001492746243 1066921814 /nfs/dbraw/zinc/92/18/14/1066921814.db2.gz MCUOFRNSRZFGRZ-UHFFFAOYSA-N 1 0 455.695 4.694 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492748878 1066923424 /nfs/dbraw/zinc/92/34/24/1066923424.db2.gz QASAOGJOTVQRRD-BJKOFHAPSA-N 1 0 455.695 4.523 20 0 JJADRO CC[C@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCCC1 ZINC001546005638 1066924131 /nfs/dbraw/zinc/92/41/31/1066924131.db2.gz GKPBECXNBOHKLA-XMMPIXPASA-N 1 0 453.675 4.819 20 0 JJADRO CC[C@@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCCC1 ZINC001546005637 1066924206 /nfs/dbraw/zinc/92/42/06/1066924206.db2.gz GKPBECXNBOHKLA-DEOSSOPVSA-N 1 0 453.675 4.819 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492749357 1066924292 /nfs/dbraw/zinc/92/42/92/1066924292.db2.gz ZAWALXISRCLUPI-KNKQGSTJSA-N 1 0 495.638 4.677 20 0 JJADRO C[NH+](C)C[C@@H](NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC001448406917 1066924425 /nfs/dbraw/zinc/92/44/25/1066924425.db2.gz SCFHWBZUSPTKBE-RPBOFIJWSA-N 1 0 452.982 4.762 20 0 JJADRO CC(C)[C@H](NC(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437192 1066927200 /nfs/dbraw/zinc/92/72/00/1066927200.db2.gz JUCGNRLTJRFRDB-GOTSBHOMSA-N 1 0 457.590 4.664 20 0 JJADRO CC(C)N1C(=O)C[C@H](C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001457819537 1066928026 /nfs/dbraw/zinc/92/80/26/1066928026.db2.gz FKXREXWAGUPJSZ-BPUDTRNYSA-N 1 0 457.977 4.965 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3CCCC[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC001492758221 1066929727 /nfs/dbraw/zinc/92/97/27/1066929727.db2.gz XQPAKFYVWCFJSA-OAQYLSRUSA-N 1 0 455.695 4.644 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(Cc4ccsc4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001492758491 1066930065 /nfs/dbraw/zinc/93/00/65/1066930065.db2.gz FPXYNYZADJZIQY-DEOSSOPVSA-N 1 0 483.730 4.637 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC001492757763 1066930113 /nfs/dbraw/zinc/93/01/13/1066930113.db2.gz MBNLGGODDBPYLR-OAQYLSRUSA-N 1 0 469.722 4.818 20 0 JJADRO CC[N@H+](Cc1ccc(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)cc1)C(C)C ZINC001448505796 1066934710 /nfs/dbraw/zinc/93/47/10/1066934710.db2.gz NFCNCCSFNXPRCR-UHFFFAOYSA-N 1 0 455.400 4.795 20 0 JJADRO Cc1nnc(CCCn2c(CC(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC001492766114 1066938358 /nfs/dbraw/zinc/93/83/58/1066938358.db2.gz BCJQPCNVIMBOEK-HXUWFJFHSA-N 1 0 473.735 4.750 20 0 JJADRO Cc1nc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)sc1Cc1cccc(Cl)c1F ZINC001448616085 1066942521 /nfs/dbraw/zinc/94/25/21/1066942521.db2.gz OIIHWEZIBPKKCU-INIZCTEOSA-N 1 0 454.036 4.991 20 0 JJADRO CC(C)(C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)c1csc(-c2ccccc2F)n1 ZINC001457930879 1066942825 /nfs/dbraw/zinc/94/28/25/1066942825.db2.gz CGJGAZXHRYWFEF-UHFFFAOYSA-N 1 0 457.962 4.890 20 0 JJADRO Cc1nnc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)s1 ZINC001492770661 1066943480 /nfs/dbraw/zinc/94/34/80/1066943480.db2.gz VRIMFBMBHTYUNV-UHFFFAOYSA-N 1 0 497.713 4.693 20 0 JJADRO Cc1nnc(N(C)Cc2ccc(Br)s2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001492780255 1066947628 /nfs/dbraw/zinc/94/76/28/1066947628.db2.gz HNJGXDVCQQSRLX-HXUWFJFHSA-N 1 0 474.472 4.958 20 0 JJADRO Cc1nnc(N(C)CCc2ccc(Br)cc2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001492784858 1066948968 /nfs/dbraw/zinc/94/89/68/1066948968.db2.gz AZGOPMHHTZYIKX-HXUWFJFHSA-N 1 0 474.472 4.927 20 0 JJADRO Cc1nnc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001492787956 1066949488 /nfs/dbraw/zinc/94/94/88/1066949488.db2.gz FYUPYHGKJFMSGM-RUZDIDTESA-N 1 0 457.638 4.669 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC001457983415 1066951894 /nfs/dbraw/zinc/95/18/94/1066951894.db2.gz RBVCTNMJVXINEW-NRFANRHFSA-N 1 0 454.586 4.900 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC001457983419 1066952032 /nfs/dbraw/zinc/95/20/32/1066952032.db2.gz RBVCTNMJVXINEW-OAQYLSRUSA-N 1 0 454.586 4.900 20 0 JJADRO CC[C@]1(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001546095195 1066952337 /nfs/dbraw/zinc/95/23/37/1066952337.db2.gz IMCXQFVWBQMZAI-CJFMBICVSA-N 1 0 460.066 4.648 20 0 JJADRO CC[C@]1(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001546095197 1066952389 /nfs/dbraw/zinc/95/23/89/1066952389.db2.gz IMCXQFVWBQMZAI-NBGIEHNGSA-N 1 0 460.066 4.648 20 0 JJADRO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1Cc1ccsc1Br ZINC001492804231 1066953426 /nfs/dbraw/zinc/95/34/26/1066953426.db2.gz GTQYNVJNHHFWIF-INIZCTEOSA-N 1 0 466.493 4.940 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1Br ZINC001457991585 1066953659 /nfs/dbraw/zinc/95/36/59/1066953659.db2.gz HDMRYBIUCWJRGB-JKSUJKDBSA-N 1 0 451.792 4.603 20 0 JJADRO C[C@H](CC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448724621 1066953949 /nfs/dbraw/zinc/95/39/49/1066953949.db2.gz VVTLBYDCKSCCRP-CIXCFARBSA-N 1 0 457.659 4.688 20 0 JJADRO Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492804981 1066953823 /nfs/dbraw/zinc/95/38/23/1066953823.db2.gz VSKWLIASHRSEOL-OYRHEFFESA-N 1 0 490.737 4.816 20 0 JJADRO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001492829707 1066954995 /nfs/dbraw/zinc/95/49/95/1066954995.db2.gz AAGFKZXRLMPLFD-NRFANRHFSA-N 1 0 482.654 4.861 20 0 JJADRO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001448777131 1066957137 /nfs/dbraw/zinc/95/71/37/1066957137.db2.gz UOQPWMLWNLZFMN-IBGZPJMESA-N 1 0 451.954 4.746 20 0 JJADRO Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001492845113 1066957285 /nfs/dbraw/zinc/95/72/85/1066957285.db2.gz WEBOOQNLTKYISG-KRWDZBQOSA-N 1 0 458.598 4.955 20 0 JJADRO Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492847629 1066957723 /nfs/dbraw/zinc/95/77/23/1066957723.db2.gz KNCGBIDLEWTMBN-RXVVDRJESA-N 1 0 465.564 4.819 20 0 JJADRO CC[NH+](CC)[C@@H](CNc1ncnc(CC(C)C)c1I)c1ccccc1 ZINC001458047415 1066960801 /nfs/dbraw/zinc/96/08/01/1066960801.db2.gz PNGSSROTMYBKED-SFHVURJKSA-N 1 0 452.384 4.775 20 0 JJADRO Cc1ccc(OCCC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001458058212 1066963608 /nfs/dbraw/zinc/96/36/08/1066963608.db2.gz IQXABMZHWSKUHG-PZJWPPBQSA-N 1 0 459.428 4.943 20 0 JJADRO C[C@H]1C[C@@H](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001458057818 1066963681 /nfs/dbraw/zinc/96/36/81/1066963681.db2.gz IEDRPVYBBFCUBC-FUHWJXTLSA-N 1 0 458.393 4.605 20 0 JJADRO COc1cccc(C(=O)c2ccc(C(=O)NCC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458062001 1066964932 /nfs/dbraw/zinc/96/49/32/1066964932.db2.gz XCPZUGQGPBOQSF-JTHBVZDNSA-N 1 0 456.586 4.957 20 0 JJADRO CC[NH+](CC)Cc1ccc(CNc2ncnc3cc(I)sc32)cc1 ZINC001458074913 1066968103 /nfs/dbraw/zinc/96/81/03/1066968103.db2.gz ZECDAFUOLKHUTP-UHFFFAOYSA-N 1 0 452.365 4.750 20 0 JJADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1(Cc2ccccc2Br)CC1 ZINC001448928053 1066971099 /nfs/dbraw/zinc/97/10/99/1066971099.db2.gz ZURWWRPXZJGEEW-UHFFFAOYSA-N 1 0 459.350 4.693 20 0 JJADRO CC[C@@H](c1nnc(N(C)C2CCCCC2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545720133 1066974346 /nfs/dbraw/zinc/97/43/46/1066974346.db2.gz RKIWRKJDADKNKB-XMMPIXPASA-N 1 0 452.691 4.615 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545721748 1066976484 /nfs/dbraw/zinc/97/64/84/1066976484.db2.gz GGWGXLUSPAQIGG-XXBNENTESA-N 1 0 453.034 4.989 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545721745 1066976509 /nfs/dbraw/zinc/97/65/09/1066976509.db2.gz GGWGXLUSPAQIGG-AUSIDOKSSA-N 1 0 453.034 4.989 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2scnc2C)n1CC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545722021 1066976815 /nfs/dbraw/zinc/97/68/15/1066976815.db2.gz MBSYCPZPIXMQGE-DENIHFKCSA-N 1 0 452.672 4.953 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2ccoc2C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545722221 1066977718 /nfs/dbraw/zinc/97/77/18/1066977718.db2.gz QQPMWLZBFTURME-DQEYMECFSA-N 1 0 465.642 4.715 20 0 JJADRO CC[C@H](c1nnc(N(C)Cc2ccoc2C)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545722224 1066977770 /nfs/dbraw/zinc/97/77/70/1066977770.db2.gz QQPMWLZBFTURME-RPBOFIJWSA-N 1 0 465.642 4.715 20 0 JJADRO CC[C@H](c1nnc(N(C)CC2CCC2)n1CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC001545723705 1066979560 /nfs/dbraw/zinc/97/95/60/1066979560.db2.gz DLTDMEFXYHSYTO-DEOSSOPVSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545724734 1066981671 /nfs/dbraw/zinc/98/16/71/1066981671.db2.gz WCBWOCPSVAZCLF-FGZHOGPDSA-N 1 0 484.092 4.964 20 0 JJADRO C[NH+](C)C[C@H](CNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc(Cl)cc1 ZINC001449160600 1066986166 /nfs/dbraw/zinc/98/61/66/1066986166.db2.gz KZASRQLMTAOJDO-HNNXBMFYSA-N 1 0 451.785 4.908 20 0 JJADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001449171584 1066987594 /nfs/dbraw/zinc/98/75/94/1066987594.db2.gz XFNBQOVXHHDJJM-UYAOXDASSA-N 1 0 454.055 4.677 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001545730938 1066989326 /nfs/dbraw/zinc/98/93/26/1066989326.db2.gz IAUBKQNVCRCDLI-PZUNEJSGSA-N 1 0 467.702 4.929 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001545731361 1066990791 /nfs/dbraw/zinc/99/07/91/1066990791.db2.gz NJEDLJYJGKWQPK-JGUFOIBDSA-N 1 0 459.729 4.588 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545731887 1066992211 /nfs/dbraw/zinc/99/22/11/1066992211.db2.gz URGVKZUWPCEHNQ-GPUWNAPISA-N 1 0 453.675 4.802 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1csc([C@H](C)OC)n1)c1ccccc1 ZINC001545731950 1066992464 /nfs/dbraw/zinc/99/24/64/1066992464.db2.gz VOQOHMGISFNWMM-IHFIDZABSA-N 1 0 482.698 4.951 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001449257136 1066992964 /nfs/dbraw/zinc/99/29/64/1066992964.db2.gz BTOZJTSKCBDRKF-FYYLOGMGSA-N 1 0 466.029 4.578 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545733443 1066994880 /nfs/dbraw/zinc/99/48/80/1066994880.db2.gz BNJLMDOQJBWCSC-QNIAMRLHSA-N 1 0 493.618 4.692 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1)OC ZINC001546012701 1066995003 /nfs/dbraw/zinc/99/50/03/1066995003.db2.gz MSXDUQRSOUBKJR-JOCHJYFZSA-N 1 0 457.663 4.500 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCSC1)[NH+]1CCCC1 ZINC001546012773 1066995126 /nfs/dbraw/zinc/99/51/26/1066995126.db2.gz OBZMCAOWZUIGKI-ROUUACIJSA-N 1 0 484.497 4.980 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC001545733931 1066996249 /nfs/dbraw/zinc/99/62/49/1066996249.db2.gz KPZZXIYSXXQDMH-UIOOFZCWSA-N 1 0 480.745 4.966 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(C)o1)[NH+]1CCCC1 ZINC001546012885 1066996341 /nfs/dbraw/zinc/99/63/41/1066996341.db2.gz QJFQIYIKWDGGKV-FQEVSTJZSA-N 1 0 458.006 4.923 20 0 JJADRO C[C@H]([NH2+]C1(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)CCOCC1)c1ccccc1 ZINC001458174712 1066996675 /nfs/dbraw/zinc/99/66/75/1066996675.db2.gz GXTBFTFOQYJNNI-KRWDZBQOSA-N 1 0 457.500 4.869 20 0 JJADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001449308992 1066997514 /nfs/dbraw/zinc/99/75/14/1066997514.db2.gz MNSJWJYUBWMDRC-LJAQVGFWSA-N 1 0 455.646 4.679 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001546097767 1066997520 /nfs/dbraw/zinc/99/75/20/1066997520.db2.gz POKLHFPQPKODDU-SBZVUBOMSA-N 1 0 497.728 4.834 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)OC)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001545734576 1066998064 /nfs/dbraw/zinc/99/80/64/1066998064.db2.gz VZEHZCCHLRDYQC-TZBSWOFLSA-N 1 0 481.685 4.577 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CCC1CC[NH+](CC)CC1)c1ccccc1 ZINC001545735811 1066998872 /nfs/dbraw/zinc/99/88/72/1066998872.db2.gz HGJDGZAWKIRPBS-GPUOULLFSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CCC1CC[NH+](CC)CC1)c1ccccc1 ZINC001545735810 1066998984 /nfs/dbraw/zinc/99/89/84/1066998984.db2.gz HGJDGZAWKIRPBS-FTBPSBKWSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545736183 1066999733 /nfs/dbraw/zinc/99/97/33/1066999733.db2.gz LRXBGJZERZBTDT-NOZRDPDXSA-N 1 0 466.718 4.720 20 0 JJADRO C[NH+](C)CCSc1nc(CC(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cs1 ZINC001449327293 1066999895 /nfs/dbraw/zinc/99/98/95/1066999895.db2.gz AYYZRKQRJONCQV-UHFFFAOYSA-N 1 0 457.587 4.797 20 0 JJADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001449336792 1067001253 /nfs/dbraw/zinc/00/12/53/1067001253.db2.gz ZJCVUHYEBOAQNA-NHCUHLMSSA-N 1 0 450.608 4.734 20 0 JJADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001449336797 1067001698 /nfs/dbraw/zinc/00/16/98/1067001698.db2.gz ZJCVUHYEBOAQNA-SFTDATJTSA-N 1 0 450.608 4.734 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545738123 1067001615 /nfs/dbraw/zinc/00/16/15/1067001615.db2.gz CFLQXHDIQOBTIJ-ILBGXUMGSA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1nnc(C)s1)c1ccccc1 ZINC001545738037 1067001800 /nfs/dbraw/zinc/00/18/00/1067001800.db2.gz ANCQJAFNIXLGNT-JOCHJYFZSA-N 1 0 467.687 4.585 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)s1)[NH+]1CCCC1 ZINC001546013385 1067002266 /nfs/dbraw/zinc/00/22/66/1067002266.db2.gz ZYNRNHDSKDAITK-FQEVSTJZSA-N 1 0 457.619 4.877 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)s1)[NH+]1CCCC1 ZINC001546013386 1067002355 /nfs/dbraw/zinc/00/23/55/1067002355.db2.gz ZYNRNHDSKDAITK-HXUWFJFHSA-N 1 0 457.619 4.877 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545738699 1067003202 /nfs/dbraw/zinc/00/32/02/1067003202.db2.gz NESIUEBOJWGYQE-DQEYMECFSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C[NH+](CC)CC)C2)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545738723 1067003669 /nfs/dbraw/zinc/00/36/69/1067003669.db2.gz NMRBRUZJCALOKX-SAYMBASOSA-N 1 0 467.702 4.929 20 0 JJADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001458214175 1067004734 /nfs/dbraw/zinc/00/47/34/1067004734.db2.gz PCLUKTGOJONCOW-UARRHKHWSA-N 1 0 455.643 4.501 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H]1CCCOC1)c1ccccc1 ZINC001545739244 1067004809 /nfs/dbraw/zinc/00/48/09/1067004809.db2.gz WKSAZJNCPQRZIK-NOZRDPDXSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(COC)CC2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545740700 1067005810 /nfs/dbraw/zinc/00/58/10/1067005810.db2.gz CANQQTLMCFQWSS-XMMPIXPASA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)CC)c1ccccc1 ZINC001545740761 1067005885 /nfs/dbraw/zinc/00/58/85/1067005885.db2.gz CWHQIHYUVDKIHK-DQEYMECFSA-N 1 0 466.718 4.861 20 0 JJADRO CCOC(=O)c1nc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1Br ZINC001458219724 1067006101 /nfs/dbraw/zinc/00/61/01/1067006101.db2.gz NVWLMQXPQXQKSM-HSZRJFAPSA-N 1 0 458.400 4.513 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001545740780 1067006169 /nfs/dbraw/zinc/00/61/69/1067006169.db2.gz DDCCLKKHBQLKKP-XZOQPEGZSA-N 1 0 496.700 4.798 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)CC)c1ccccc1 ZINC001545740764 1067006186 /nfs/dbraw/zinc/00/61/86/1067006186.db2.gz CWHQIHYUVDKIHK-RPBOFIJWSA-N 1 0 466.718 4.861 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2ccc(I)cc21 ZINC001458229741 1067008049 /nfs/dbraw/zinc/00/80/49/1067008049.db2.gz PYBPZDGGKYXANP-KXBFYZLASA-N 1 0 458.347 4.557 20 0 JJADRO CN(C)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001458230944 1067008231 /nfs/dbraw/zinc/00/82/31/1067008231.db2.gz OVWCKXRHZJZQPP-CDNPAEQRSA-N 1 0 456.428 4.546 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001545741809 1067008408 /nfs/dbraw/zinc/00/84/08/1067008408.db2.gz WTTFPTQEDFGKPX-SCDRESIJSA-N 1 0 498.716 4.900 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(F)(F)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545741794 1067008496 /nfs/dbraw/zinc/00/84/96/1067008496.db2.gz WQKXAXMXDZDAMM-SFHLNBCPSA-N 1 0 461.601 4.553 20 0 JJADRO CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001458234316 1067008835 /nfs/dbraw/zinc/00/88/35/1067008835.db2.gz VJYRJBHPNQCYRP-KEZOAJOQSA-N 1 0 457.659 4.733 20 0 JJADRO CC[C@H](c1nnc(N2CCC([NH+](CC)CC)CC2)n1Cc1ccc(F)cn1)c1ccccc1 ZINC001545741871 1067008932 /nfs/dbraw/zinc/00/89/32/1067008932.db2.gz XWWXWBSINBIACX-DEOSSOPVSA-N 1 0 450.606 4.713 20 0 JJADRO CC[C@@H](Cn1c(N(Cc2cccc(OC)c2)C[C@H]2CCCO2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546014224 1067009592 /nfs/dbraw/zinc/00/95/92/1067009592.db2.gz DSMKFFQGRHEBJO-LADGPHEKSA-N 1 0 469.674 4.644 20 0 JJADRO CC[C@H](c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545743810 1067010648 /nfs/dbraw/zinc/01/06/48/1067010648.db2.gz RHKBJSDJROQJSG-DEOSSOPVSA-N 1 0 475.685 4.574 20 0 JJADRO CC[C@H](Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC001546014708 1067011255 /nfs/dbraw/zinc/01/12/55/1067011255.db2.gz MTHKVKOASMUFKY-BHDDXSALSA-N 1 0 455.647 4.755 20 0 JJADRO COc1ccc(Cl)cc1[C@@H](O)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001449491391 1067011639 /nfs/dbraw/zinc/01/16/39/1067011639.db2.gz PQPQHPACMWHMLO-CERRFVOPSA-N 1 0 479.020 4.588 20 0 JJADRO CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCSCC1)[NH+]1CCCC1 ZINC001546014863 1067012022 /nfs/dbraw/zinc/01/20/22/1067012022.db2.gz PFAHLTZIONGGBN-GOSISDBHSA-N 1 0 452.093 4.651 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC[S@@](=O)CC)c1ccccc1 ZINC001545745522 1067012074 /nfs/dbraw/zinc/01/20/74/1067012074.db2.gz CBRRADPAIDTMBN-JJLUAYLQSA-N 1 0 485.742 4.537 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@](C)(OC)C2)n1CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC001545745771 1067012880 /nfs/dbraw/zinc/01/28/80/1067012880.db2.gz GNMALLRENHACIV-HOFKKMOUSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001546015233 1067013614 /nfs/dbraw/zinc/01/36/14/1067013614.db2.gz WOJSDBFTBRYZSH-VXKWHMMOSA-N 1 0 457.688 4.759 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545746234 1067013784 /nfs/dbraw/zinc/01/37/84/1067013784.db2.gz LWQGFUPZXCCEFQ-LADGPHEKSA-N 1 0 496.744 4.787 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1C[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001545746908 1067016312 /nfs/dbraw/zinc/01/63/12/1067016312.db2.gz WZWRWGUALZRTAL-QTJGBDASSA-N 1 0 494.709 4.537 20 0 JJADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)c(C)n1CC1CC1 ZINC001449602246 1067017303 /nfs/dbraw/zinc/01/73/03/1067017303.db2.gz RDWHEAYLKYMUMI-MRXNPFEDSA-N 1 0 459.432 4.670 20 0 JJADRO CCC[C@@H]1CN(C(=O)[C@H](OC)c2ccc(Br)s2)CC[N@@H+]1Cc1ccccc1 ZINC001458273334 1067018656 /nfs/dbraw/zinc/01/86/56/1067018656.db2.gz CHFZUGPKNQEWOU-YLJYHZDGSA-N 1 0 451.430 4.711 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1)C[C@@H]1CCCCO1 ZINC001458273992 1067018711 /nfs/dbraw/zinc/01/87/11/1067018711.db2.gz FVYVLJKXUINMPB-FQEVSTJZSA-N 1 0 451.596 4.632 20 0 JJADRO COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc1)CO2 ZINC001458277588 1067019537 /nfs/dbraw/zinc/01/95/37/1067019537.db2.gz KGZNOPZISWMYNL-RCZVLFRGSA-N 1 0 452.595 4.665 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001545749305 1067019701 /nfs/dbraw/zinc/01/97/01/1067019701.db2.gz MQUGZHPNECCMDQ-PKTZIBPZSA-N 1 0 498.716 4.901 20 0 JJADRO O=C(Oc1ccc(F)c(Br)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001458278604 1067020102 /nfs/dbraw/zinc/02/01/02/1067020102.db2.gz FOLKMTACUCEMQS-IAGOWNOFSA-N 1 0 461.356 4.866 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1)[NH+]1CCCC1 ZINC001546016317 1067021555 /nfs/dbraw/zinc/02/15/55/1067021555.db2.gz BLDXPGLKWPMBKG-PKTZIBPZSA-N 1 0 482.673 4.861 20 0 JJADRO C[C@H]1CN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC001449698527 1067021599 /nfs/dbraw/zinc/02/15/99/1067021599.db2.gz NLUBDQFSXZIKEJ-MRCUYLHHSA-N 1 0 455.643 4.537 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC001545750230 1067022480 /nfs/dbraw/zinc/02/24/80/1067022480.db2.gz ZQZRFCAMAPHDRK-DMTNHVFBSA-N 1 0 494.728 4.826 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1(C)CCOCC1)c1ccccc1 ZINC001545751377 1067023820 /nfs/dbraw/zinc/02/38/20/1067023820.db2.gz DVUWOQQVWNDLLG-HSZRJFAPSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545751398 1067024008 /nfs/dbraw/zinc/02/40/08/1067024008.db2.gz FLTWHRSMSAXQNQ-PZUNEJSGSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ncccc1N(C)C)c1ccccc1 ZINC001545751568 1067024476 /nfs/dbraw/zinc/02/44/76/1067024476.db2.gz HVGKAMLUAQHRFA-QHCPKHFHSA-N 1 0 475.685 4.640 20 0 JJADRO C[C@H](Nc1nc(C(F)(F)F)ccc1I)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001458309254 1067026570 /nfs/dbraw/zinc/02/65/70/1067026570.db2.gz IJEIQCIYNJTWNU-RYUDHWBXSA-N 1 0 453.290 4.770 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H](C)C1)[NH+]1CCCC1 ZINC001546017186 1067026336 /nfs/dbraw/zinc/02/63/36/1067026336.db2.gz PVMQWKOFFJVGCW-CBPXPLCBSA-N 1 0 474.694 4.707 20 0 JJADRO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCCC1 ZINC001546017252 1067026427 /nfs/dbraw/zinc/02/64/27/1067026427.db2.gz RATCRSNAIOXNMH-KJJMTIBFSA-N 1 0 474.694 4.550 20 0 JJADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCCC1 ZINC001546017253 1067026483 /nfs/dbraw/zinc/02/64/83/1067026483.db2.gz RATCRSNAIOXNMH-YUMYIRISSA-N 1 0 474.694 4.550 20 0 JJADRO CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+]1CCCC1 ZINC001546017189 1067026545 /nfs/dbraw/zinc/02/65/45/1067026545.db2.gz PVMQWKOFFJVGCW-YSFYHYPLSA-N 1 0 474.694 4.707 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001449789872 1067028542 /nfs/dbraw/zinc/02/85/42/1067028542.db2.gz SQDJNTLMLANFGT-ZRZAMGCNSA-N 1 0 455.643 4.585 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC001545753886 1067029623 /nfs/dbraw/zinc/02/96/23/1067029623.db2.gz AKWMBNUWAQUZEM-FTBPSBKWSA-N 1 0 496.700 4.607 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546099330 1067029785 /nfs/dbraw/zinc/02/97/85/1067029785.db2.gz BJSAXEMJSCBNCV-SHQCIBLASA-N 1 0 469.674 4.681 20 0 JJADRO CC[C@@H](Cn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017492 1067030255 /nfs/dbraw/zinc/03/02/55/1067030255.db2.gz VRGWNPILWRTZIB-FIPFOOKPSA-N 1 0 483.701 4.823 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001545754646 1067031361 /nfs/dbraw/zinc/03/13/61/1067031361.db2.gz RRLIUFNKGUYWNA-LADGPHEKSA-N 1 0 498.716 4.996 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(COc3cccc(C)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001546099491 1067032562 /nfs/dbraw/zinc/03/25/62/1067032562.db2.gz GIWQTGZAPCUUQM-SQHAQQRYSA-N 1 0 469.674 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC001545756233 1067033382 /nfs/dbraw/zinc/03/33/82/1067033382.db2.gz DHOZFRVGVCATTJ-IFMALSPDSA-N 1 0 492.634 4.767 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001449891087 1067034037 /nfs/dbraw/zinc/03/40/37/1067034037.db2.gz AQFYATYLEZJGBB-FYYLOGMGSA-N 1 0 461.622 4.549 20 0 JJADRO C[N@@H+]1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC12CCCCC2 ZINC001449888808 1067034236 /nfs/dbraw/zinc/03/42/36/1067034236.db2.gz BZJFZKPEIMEDNR-HSZRJFAPSA-N 1 0 454.014 4.678 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H](OC)C(C)C)c1ccccc1 ZINC001545756847 1067034389 /nfs/dbraw/zinc/03/43/89/1067034389.db2.gz PEKZGBQBDCRAFI-NQHRYMMQSA-N 1 0 453.675 4.802 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756910 1067035046 /nfs/dbraw/zinc/03/50/46/1067035046.db2.gz PYHZCLLCDRZBGM-QHCPKHFHSA-N 1 0 496.700 4.798 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)CC2)cc1 ZINC001449906667 1067036016 /nfs/dbraw/zinc/03/60/16/1067036016.db2.gz VHPALVYODZAWPC-UHFFFAOYSA-N 1 0 456.999 4.749 20 0 JJADRO O=c1c(Cl)c(NC[C@H]2CCC[N@@H+]2C2CCCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001458344323 1067036519 /nfs/dbraw/zinc/03/65/19/1067036519.db2.gz QUMNSOSUKJJKSI-MRXNPFEDSA-N 1 0 455.912 4.509 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545758353 1067037511 /nfs/dbraw/zinc/03/75/11/1067037511.db2.gz FDQRHYSJEJUSLE-REWPJTCUSA-N 1 0 475.628 4.802 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCCCO1)c1ccccc1 ZINC001545758550 1067038177 /nfs/dbraw/zinc/03/81/77/1067038177.db2.gz IXEPADLYSSNTLL-RPWUZVMVSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCCCO1)c1ccccc1 ZINC001545758548 1067038344 /nfs/dbraw/zinc/03/83/44/1067038344.db2.gz IXEPADLYSSNTLL-BJKOFHAPSA-N 1 0 453.675 4.947 20 0 JJADRO CC[NH+](CC)CCN(C(=O)C[C@H]1C(=O)Nc2c1cccc2F)c1cccc(C(F)(F)F)c1 ZINC001458349181 1067038842 /nfs/dbraw/zinc/03/88/42/1067038842.db2.gz RYMFRJFJSUDGIN-GOSISDBHSA-N 1 0 451.464 4.645 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1cnn(CC(C)C)c1C)c1ccccc1 ZINC001545758594 1067038840 /nfs/dbraw/zinc/03/88/40/1067038840.db2.gz JKAYLJAHEYWMBS-BWKNWUBXSA-N 1 0 463.674 4.560 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC(C)(C)SC)c1ccccc1 ZINC001545758775 1067039478 /nfs/dbraw/zinc/03/94/78/1067039478.db2.gz MPWPQZMVWMVQJR-QHCPKHFHSA-N 1 0 471.715 4.510 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758897 1067040432 /nfs/dbraw/zinc/04/04/32/1067040432.db2.gz OWNXEHMENKMAFU-UNMCSNQZSA-N 1 0 484.689 4.654 20 0 JJADRO CC[C@H](c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758858 1067040530 /nfs/dbraw/zinc/04/05/30/1067040530.db2.gz OHJRASVORBPBNA-GMAHTHKFSA-N 1 0 492.634 4.625 20 0 JJADRO CC[C@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545759488 1067042635 /nfs/dbraw/zinc/04/26/35/1067042635.db2.gz YQTQHGZGPVWLSL-DEOSSOPVSA-N 1 0 463.674 4.583 20 0 JJADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001458369538 1067043692 /nfs/dbraw/zinc/04/36/92/1067043692.db2.gz PQWFPHPHSPVZPT-ISKFKSNPSA-N 1 0 456.428 4.887 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545760565 1067043700 /nfs/dbraw/zinc/04/37/00/1067043700.db2.gz FUZQGIDWRXIHLZ-RTWAWAEBSA-N 1 0 479.591 4.710 20 0 JJADRO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001450046627 1067044600 /nfs/dbraw/zinc/04/46/00/1067044600.db2.gz JPKSVVYYSBCQIV-SFTDATJTSA-N 1 0 459.403 4.891 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCOCC2(CC2)C1)[NH+](C)C ZINC001545764002 1067048274 /nfs/dbraw/zinc/04/82/74/1067048274.db2.gz PHGUSPWGOFQKOQ-DNQXCXABSA-N 1 0 453.675 4.803 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCOCC2(CC2)C1)[NH+](C)C ZINC001545764001 1067048288 /nfs/dbraw/zinc/04/82/88/1067048288.db2.gz PHGUSPWGOFQKOQ-BJKOFHAPSA-N 1 0 453.675 4.803 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cc(Cl)nc4ccccc43)cc2)C[C@H]1C ZINC001458389077 1067048827 /nfs/dbraw/zinc/04/88/27/1067048827.db2.gz ACIFQNUPNRXQMB-RTBURBONSA-N 1 0 451.998 4.827 20 0 JJADRO CC[C@@H](c1nnc(N2CCOC[C@H](C3CCC3)C2)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545764409 1067048983 /nfs/dbraw/zinc/04/89/83/1067048983.db2.gz VJYCYKHRJBLPOR-FTBPSBKWSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](c1nnc(N2CCOC[C@H](C3CCC3)C2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545764412 1067049250 /nfs/dbraw/zinc/04/92/50/1067049250.db2.gz VJYCYKHRJBLPOR-NQHRYMMQSA-N 1 0 453.675 4.803 20 0 JJADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)Cc1cncn1Cc1ccccc1 ZINC001450109790 1067049962 /nfs/dbraw/zinc/04/99/62/1067049962.db2.gz FSANTWKBFZPBIG-NDEPHWFRSA-N 1 0 458.650 4.666 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545765449 1067050094 /nfs/dbraw/zinc/05/00/94/1067050094.db2.gz BEEALFRHTABMRR-AICRDVKUSA-N 1 0 453.675 4.539 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)C[C@H]1C ZINC001458396266 1067050843 /nfs/dbraw/zinc/05/08/43/1067050843.db2.gz NVHWQMCJHXLPQV-IAGOWNOFSA-N 1 0 452.492 4.784 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cccc(C(F)(F)F)c3F)cc2)C[C@H]1C ZINC001458396540 1067051108 /nfs/dbraw/zinc/05/11/08/1067051108.db2.gz OMIMYGIRVBWGKR-IAGOWNOFSA-N 1 0 452.492 4.784 20 0 JJADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc(-c2ccc(Br)cc2)s1 ZINC001450117455 1067051438 /nfs/dbraw/zinc/05/14/38/1067051438.db2.gz OPFXSJYYUSRTJX-LJQANCHMSA-N 1 0 457.393 4.997 20 0 JJADRO CSc1ccc([C@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001450128121 1067051683 /nfs/dbraw/zinc/05/16/83/1067051683.db2.gz LSWZMEFXKKUTKQ-QFIPXVFZSA-N 1 0 457.640 4.508 20 0 JJADRO CSc1ccc([C@H](CNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)[NH+](C)C)cc1 ZINC001450132517 1067052089 /nfs/dbraw/zinc/05/20/89/1067052089.db2.gz PXHOMMIEISDSBY-NQIIRXRSSA-N 1 0 454.665 4.654 20 0 JJADRO CSc1ccc([C@H](CNC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)[NH+](C)C)cc1 ZINC001450140174 1067053698 /nfs/dbraw/zinc/05/36/98/1067053698.db2.gz XRJYAHCKGPQZOE-QFIPXVFZSA-N 1 0 457.043 4.956 20 0 JJADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C[C@@H]1C ZINC001458431119 1067058976 /nfs/dbraw/zinc/05/89/76/1067058976.db2.gz PDDNFNCYIUNFIL-DLBZAZTESA-N 1 0 458.400 4.565 20 0 JJADRO COc1ccc(CC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1OC ZINC001458446466 1067063313 /nfs/dbraw/zinc/06/33/13/1067063313.db2.gz GUWXXHZJPBOOJQ-YCRPNKLZSA-N 1 0 455.357 4.501 20 0 JJADRO C[C@@H](NC(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(C2CC2)c1 ZINC001450245187 1067063890 /nfs/dbraw/zinc/06/38/90/1067063890.db2.gz HYIJKQMDKKZJEO-DVECYGJZSA-N 1 0 451.611 4.767 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458450709 1067065270 /nfs/dbraw/zinc/06/52/70/1067065270.db2.gz WBBPYORGLVESAE-CYFREDJKSA-N 1 0 453.945 4.876 20 0 JJADRO CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC001450259476 1067065598 /nfs/dbraw/zinc/06/55/98/1067065598.db2.gz FOKHNXIROLUPKS-VWLOTQADSA-N 1 0 458.603 4.939 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)OC ZINC001545774458 1067067413 /nfs/dbraw/zinc/06/74/13/1067067413.db2.gz QDBJMEUTKPVPPI-SFHVURJKSA-N 1 0 494.453 4.726 20 0 JJADRO COc1c(Br)c(C)sc1C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC001450270680 1067067325 /nfs/dbraw/zinc/06/73/25/1067067325.db2.gz JYMUXYFESDFECT-UHFFFAOYSA-N 1 0 450.358 4.817 20 0 JJADRO CC[N@H+](CCCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)C1CCCCC1 ZINC001458473229 1067070907 /nfs/dbraw/zinc/07/09/07/1067070907.db2.gz SJYSRLJEMXZWQL-UHFFFAOYSA-N 1 0 457.928 4.756 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546101390 1067074447 /nfs/dbraw/zinc/07/44/47/1067074447.db2.gz CERTYPRKPIUDIC-UMEGOILYSA-N 1 0 476.065 4.636 20 0 JJADRO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1)SC ZINC001545779563 1067074962 /nfs/dbraw/zinc/07/49/62/1067074962.db2.gz RYRIHRRWNJGIHB-UHFFFAOYSA-N 1 0 452.672 4.826 20 0 JJADRO CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001545780900 1067076774 /nfs/dbraw/zinc/07/67/74/1067076774.db2.gz MYUPLRLUTIPURH-HSZRJFAPSA-N 1 0 468.690 4.802 20 0 JJADRO CCc1nnc(N2CCC[C@@H]2c2ccc(OC)c(OC)c2)n1CCC[N@H+](C)C1CCCCC1 ZINC001546510638 1067078007 /nfs/dbraw/zinc/07/80/07/1067078007.db2.gz JMJHWPAVNLOPBJ-JOCHJYFZSA-N 1 0 455.647 4.854 20 0 JJADRO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)OC ZINC001545784410 1067080723 /nfs/dbraw/zinc/08/07/23/1067080723.db2.gz SHYPTFJBUXEGBQ-LADGPHEKSA-N 1 0 475.722 4.858 20 0 JJADRO CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545787948 1067083408 /nfs/dbraw/zinc/08/34/08/1067083408.db2.gz CHQVPENGNDSCSC-LJQANCHMSA-N 1 0 475.628 4.663 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC001458535616 1067083663 /nfs/dbraw/zinc/08/36/63/1067083663.db2.gz GNCQBBZUQZXERC-HJSLYDSISA-N 1 0 460.643 4.825 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)OC ZINC001545788363 1067084549 /nfs/dbraw/zinc/08/45/49/1067084549.db2.gz ROUYUMBZTSSDBN-QFIPXVFZSA-N 1 0 460.066 4.792 20 0 JJADRO CC1(C)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C[C@@H](C(F)(F)F)O1 ZINC001450511701 1067085545 /nfs/dbraw/zinc/08/55/45/1067085545.db2.gz KLLBSIATLFGBFI-GGPKGHCWSA-N 1 0 452.542 4.532 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1)OC ZINC001545791278 1067088380 /nfs/dbraw/zinc/08/83/80/1067088380.db2.gz MYBAVULZFJCXFX-UHFFFAOYSA-N 1 0 467.683 4.766 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568334 1067089045 /nfs/dbraw/zinc/08/90/45/1067089045.db2.gz QHKCFHSAAQZKEN-QFQXNSOFSA-N 1 0 457.590 4.734 20 0 JJADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)[NH+](C)C)cc1 ZINC001450550792 1067090112 /nfs/dbraw/zinc/09/01/12/1067090112.db2.gz VJVIFJIVTFOKIQ-JOCHJYFZSA-N 1 0 451.592 4.820 20 0 JJADRO Cc1nc2sc3c(c2c(NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC001458577684 1067090174 /nfs/dbraw/zinc/09/01/74/1067090174.db2.gz KWKGYICUSUMDDB-OAHLLOKOSA-N 1 0 459.660 4.526 20 0 JJADRO CCCCSc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1C(F)(F)F ZINC001545794015 1067092081 /nfs/dbraw/zinc/09/20/81/1067092081.db2.gz RXIGHOIVYJLLFZ-FXAWDEMLSA-N 1 0 457.606 4.696 20 0 JJADRO C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1F ZINC001450596451 1067093269 /nfs/dbraw/zinc/09/32/69/1067093269.db2.gz MQNANJMGBHXRRA-KBXCAEBGSA-N 1 0 455.318 4.923 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001546102357 1067095427 /nfs/dbraw/zinc/09/54/27/1067095427.db2.gz WXTBDWDDRTVYQY-DQCZWYHMSA-N 1 0 499.700 4.628 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628495 1067098701 /nfs/dbraw/zinc/09/87/01/1067098701.db2.gz JLHVBMHWLRMOMY-UWJYYQICSA-N 1 0 453.380 4.618 20 0 JJADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001450672136 1067101428 /nfs/dbraw/zinc/10/14/28/1067101428.db2.gz JTCPIQPFYYYQHC-INIZCTEOSA-N 1 0 455.400 4.910 20 0 JJADRO CCC(CC)[C@H](CCn1c(C)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC001545798642 1067101857 /nfs/dbraw/zinc/10/18/57/1067101857.db2.gz ORZKSOHMLFNHOQ-VWLOTQADSA-N 1 0 453.675 4.920 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CCCCc2cccc(O)c2)CC1 ZINC001450696055 1067104466 /nfs/dbraw/zinc/10/44/66/1067104466.db2.gz AVTSPFKIIVMINZ-UHFFFAOYSA-N 1 0 459.428 4.991 20 0 JJADRO COc1cccc2c1[C@@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)CC2 ZINC001450696462 1067105230 /nfs/dbraw/zinc/10/52/30/1067105230.db2.gz CFYPEYVAOOVTEX-FQEVSTJZSA-N 1 0 457.412 4.611 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1)[NH+]1CCOCC1 ZINC001545802869 1067110622 /nfs/dbraw/zinc/11/06/22/1067110622.db2.gz CZFPQAYMGOIJKK-IEZKXTBUSA-N 1 0 469.674 4.505 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCCCC1)[NH+](C)C ZINC001545803045 1067111205 /nfs/dbraw/zinc/11/12/05/1067111205.db2.gz HBFZGRDQIXVRGH-QHCPKHFHSA-N 1 0 454.663 4.894 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC001545803636 1067114132 /nfs/dbraw/zinc/11/41/32/1067114132.db2.gz RCSHMKNWHNYLTB-RDGATRHJSA-N 1 0 471.665 4.747 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545804907 1067117606 /nfs/dbraw/zinc/11/76/06/1067117606.db2.gz DPUSAGGBODDKEQ-WMZHIEFXSA-N 1 0 491.627 4.920 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCOCC1)[NH+](C)C ZINC001545805000 1067117623 /nfs/dbraw/zinc/11/76/23/1067117623.db2.gz GGHVJKCQNAIBKZ-OAQYLSRUSA-N 1 0 459.704 4.869 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](OC)C1)[NH+](C)C ZINC001545805064 1067118276 /nfs/dbraw/zinc/11/82/76/1067118276.db2.gz HNOBHWXIFJMWKJ-VXKWHMMOSA-N 1 0 482.698 4.969 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(C1)CCOCC2)[NH+](C)C ZINC001545805207 1067118347 /nfs/dbraw/zinc/11/83/47/1067118347.db2.gz JHLWZXLREVTQQN-NFBKMPQASA-N 1 0 487.664 4.931 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001545805278 1067118676 /nfs/dbraw/zinc/11/86/76/1067118676.db2.gz KSEYMVYMOJDILU-NNMXDRDESA-N 1 0 475.653 4.927 20 0 JJADRO CC(C)Cc1ccc([C@@H](CNC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)[NH+](C)C)cc1 ZINC001450776872 1067118852 /nfs/dbraw/zinc/11/88/52/1067118852.db2.gz BEDIWGXUMYTDDN-QQNZBJPCSA-N 1 0 459.590 4.668 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@H](C)C1)[NH+](C)C ZINC001545805269 1067118936 /nfs/dbraw/zinc/11/89/36/1067118936.db2.gz KIPUDWLXYRIRGS-IIBYNOLFSA-N 1 0 496.469 4.828 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC(C)(C)[C@H]1C)[NH+](C)C ZINC001545805452 1067119676 /nfs/dbraw/zinc/11/96/76/1067119676.db2.gz NNQVXOYKJIWNIO-KNKQGSTJSA-N 1 0 475.653 4.927 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCOCC1 ZINC001545805338 1067119804 /nfs/dbraw/zinc/11/98/04/1067119804.db2.gz LRKUWEZYZGRBAV-SQJMNOBHSA-N 1 0 469.674 4.717 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1C)[NH+]1CCOCC1 ZINC001545805517 1067120096 /nfs/dbraw/zinc/12/00/96/1067120096.db2.gz OQCJYGZOKCYYPT-QTEQDKRBSA-N 1 0 473.637 4.683 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCOC[C@@H](C2CCC2)C1)[NH+](C)C ZINC001545805549 1067120115 /nfs/dbraw/zinc/12/01/15/1067120115.db2.gz OXAWZVNXKYFIKN-UKILVPOCSA-N 1 0 469.674 4.573 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1c(C)noc1C)[NH+](C)C ZINC001545805523 1067120124 /nfs/dbraw/zinc/12/01/24/1067120124.db2.gz OQTGKWCROCOAJT-FQEVSTJZSA-N 1 0 492.466 4.643 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nccs2)C1)[NH+](C)C ZINC001545805599 1067120248 /nfs/dbraw/zinc/12/02/48/1067120248.db2.gz PNIGBAZWJNKWES-RTWAWAEBSA-N 1 0 489.089 4.999 20 0 JJADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCC(c2c[nH]c3ccc(OC)cc32)CC1)[NH+](C)C ZINC001545805682 1067120978 /nfs/dbraw/zinc/12/09/78/1067120978.db2.gz QSFJXVRYDMAWCE-VWLOTQADSA-N 1 0 452.647 4.827 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(CC)C1)[NH+]1CCOCC1 ZINC001545805665 1067120989 /nfs/dbraw/zinc/12/09/89/1067120989.db2.gz QKDHQILQRKGIIO-IGKIAQTJSA-N 1 0 469.674 4.717 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H]1c1ccc(O)cc1)[NH+]1CCOCC1 ZINC001545805765 1067121012 /nfs/dbraw/zinc/12/10/12/1067121012.db2.gz RUTXHKBMQZNNDK-BJKOFHAPSA-N 1 0 455.647 4.586 20 0 JJADRO C[C@@H]1[C@@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001450789427 1067121193 /nfs/dbraw/zinc/12/11/93/1067121193.db2.gz JOBYHXMSEWGVQU-QPPBQGQZSA-N 1 0 457.659 4.973 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)[NH+](C)C ZINC001545805856 1067121536 /nfs/dbraw/zinc/12/15/36/1067121536.db2.gz TXKNQBBTTSFHOQ-SXYMUXSESA-N 1 0 491.627 4.510 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001545805985 1067122108 /nfs/dbraw/zinc/12/21/08/1067122108.db2.gz WJOOLDGRGPPNFQ-TYBLODHISA-N 1 0 469.674 4.573 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(F)(F)CC1)[NH+](C)C ZINC001545806085 1067122172 /nfs/dbraw/zinc/12/21/72/1067122172.db2.gz YWTIBHDYWBTFRC-JOCHJYFZSA-N 1 0 471.600 4.937 20 0 JJADRO C[C@@H]1[C@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001450796600 1067122588 /nfs/dbraw/zinc/12/25/88/1067122588.db2.gz OYKZQCYYPJEJMR-UZUQRXQVSA-N 1 0 452.549 4.976 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](COC)C1)[NH+](C)C ZINC001545806149 1067122934 /nfs/dbraw/zinc/12/29/34/1067122934.db2.gz ZWIRFBXENPJFFC-AVRDEDQJSA-N 1 0 492.506 4.937 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N(C)C1CCC(NC(C)=O)CC1)[NH+](C)C ZINC001545807163 1067124240 /nfs/dbraw/zinc/12/42/40/1067124240.db2.gz BRUHLTMDAWECSZ-OOEPIQFGSA-N 1 0 468.690 4.503 20 0 JJADRO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001450810005 1067125094 /nfs/dbraw/zinc/12/50/94/1067125094.db2.gz YTQNGRLJWCUYJB-UTKZUKDTSA-N 1 0 451.567 4.841 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C)C1)[NH+](C)C ZINC001545807310 1067125098 /nfs/dbraw/zinc/12/50/98/1067125098.db2.gz FZUJFMPTUGOCNY-UZLBHIALSA-N 1 0 466.095 4.915 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCCO1)[NH+](C)C ZINC001545807473 1067126241 /nfs/dbraw/zinc/12/62/41/1067126241.db2.gz IOZFAHAKWZPFPZ-IFMALSPDSA-N 1 0 492.506 4.998 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)[NH+](C)C ZINC001545807406 1067126248 /nfs/dbraw/zinc/12/62/48/1067126248.db2.gz HNZXMWTZMZNFSD-GIWBLDEGSA-N 1 0 460.066 4.828 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+](C)C ZINC001545807740 1067128218 /nfs/dbraw/zinc/12/82/18/1067128218.db2.gz NNFHQRXAUGLFEC-QHCPKHFHSA-N 1 0 486.611 4.818 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCCO[C@@H](C)C1)[NH+](C)C ZINC001545807782 1067128859 /nfs/dbraw/zinc/12/88/59/1067128859.db2.gz OEJDALOHLOINKI-LAUBAEHRSA-N 1 0 478.479 4.689 20 0 JJADRO C[C@@]1(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC(c2cccc(Cl)c2F)=NO1 ZINC001450838724 1067129458 /nfs/dbraw/zinc/12/94/58/1067129458.db2.gz BXVHDEFIBDNIMW-DFBJGRDBSA-N 1 0 457.977 4.781 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(F)(F)CC1)[NH+](C)C ZINC001545807990 1067131059 /nfs/dbraw/zinc/13/10/59/1067131059.db2.gz QMYCQLGUCUDOND-LJQANCHMSA-N 1 0 465.589 4.564 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001545808169 1067132178 /nfs/dbraw/zinc/13/21/78/1067132178.db2.gz UGDGVWGRCOJOPC-VQTJNVASSA-N 1 0 497.034 4.612 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](COC)C1)[NH+](C)C ZINC001545808214 1067132317 /nfs/dbraw/zinc/13/23/17/1067132317.db2.gz UXMKCMJPPUSZKO-NQIIRXRSSA-N 1 0 463.070 4.613 20 0 JJADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC001545808803 1067135093 /nfs/dbraw/zinc/13/50/93/1067135093.db2.gz KCVPOSVNVRJEBC-UHFFFAOYSA-N 1 0 457.983 4.763 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCCC[C@H](COC)C1)[NH+]1CCOCC1 ZINC001545809288 1067135705 /nfs/dbraw/zinc/13/57/05/1067135705.db2.gz ACLYBPHNDYINKG-OZXSUGGESA-N 1 0 483.701 4.643 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1)[NH+](C)C ZINC001545809647 1067136275 /nfs/dbraw/zinc/13/62/75/1067136275.db2.gz HYKRNLJDNLBXQX-OFVILXPXSA-N 1 0 496.679 4.576 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC001545810193 1067137478 /nfs/dbraw/zinc/13/74/78/1067137478.db2.gz RLPQBEMVDORNOS-KOSHJBKYSA-N 1 0 486.611 4.886 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc2ccccc2s1)[NH+](C)C ZINC001545810354 1067138184 /nfs/dbraw/zinc/13/81/84/1067138184.db2.gz VBZYFYKQNPZTIC-FQEVSTJZSA-N 1 0 451.644 4.886 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1)[NH+](C)C ZINC001545810544 1067138719 /nfs/dbraw/zinc/13/87/19/1067138719.db2.gz YAQRSJGFDPJYFL-RPWUZVMVSA-N 1 0 486.611 4.506 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001545810500 1067138789 /nfs/dbraw/zinc/13/87/89/1067138789.db2.gz XJGUUTILMVJIPV-RBBKRZOGSA-N 1 0 469.703 4.799 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001545811892 1067139554 /nfs/dbraw/zinc/13/95/54/1067139554.db2.gz FDFANPPBXPTGCV-QHCPKHFHSA-N 1 0 456.585 4.930 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1cc(F)ccc1F)[NH+](C)C ZINC001545812403 1067141297 /nfs/dbraw/zinc/14/12/97/1067141297.db2.gz OFDZCJGJDBYOLD-OPAMFIHVSA-N 1 0 457.573 4.577 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCc2cccc(Br)c2C1)[NH+](C)C ZINC001545812892 1067141915 /nfs/dbraw/zinc/14/19/15/1067141915.db2.gz XBKWVPIZSPXYTL-OAQYLSRUSA-N 1 0 460.464 4.847 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H]1CCSC1)[NH+](C)C ZINC001545812852 1067141922 /nfs/dbraw/zinc/14/19/22/1067141922.db2.gz WIYJPOZESGTQJB-IRLDBZIGSA-N 1 0 468.671 4.908 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001545814625 1067143002 /nfs/dbraw/zinc/14/30/02/1067143002.db2.gz DRNBUCCVLWGRIA-XMMPIXPASA-N 1 0 472.722 4.531 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001545814950 1067143472 /nfs/dbraw/zinc/14/34/72/1067143472.db2.gz JUXNVQOZEGGTDY-HJOGWXRNSA-N 1 0 461.695 4.529 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)[NH+](C)C ZINC001545815655 1067145323 /nfs/dbraw/zinc/14/53/23/1067145323.db2.gz SYKMCCIWSYWORN-LJQANCHMSA-N 1 0 471.675 4.649 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)[NH+](C)C ZINC001545815654 1067145328 /nfs/dbraw/zinc/14/53/28/1067145328.db2.gz SYKMCCIWSYWORN-IBGZPJMESA-N 1 0 471.675 4.649 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[NH+](C)C ZINC001545816916 1067146123 /nfs/dbraw/zinc/14/61/23/1067146123.db2.gz ALEYCMZGUVAHPL-BHIFYINESA-N 1 0 490.737 4.536 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817156 1067146448 /nfs/dbraw/zinc/14/64/48/1067146448.db2.gz FQTMZGGSRFVHTN-WIOPSUGQSA-N 1 0 464.633 4.763 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCCCCCC1)[NH+]1CCOCC1 ZINC001545817172 1067146454 /nfs/dbraw/zinc/14/64/54/1067146454.db2.gz FUUCOGWPXSEFSO-VWLOTQADSA-N 1 0 483.701 4.785 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC)[NH+]1CCOCC1 ZINC001545817310 1067148700 /nfs/dbraw/zinc/14/87/00/1067148700.db2.gz IBPKTNJMWWECFG-OPXMRZJTSA-N 1 0 471.665 4.770 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001545817298 1067148735 /nfs/dbraw/zinc/14/87/35/1067148735.db2.gz HUXCJRXSOAVRER-JTSKRJEESA-N 1 0 463.617 4.517 20 0 JJADRO COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(OCC[NH+](C)C)c(C)c3)s2)cc1 ZINC001451130858 1067148779 /nfs/dbraw/zinc/14/87/79/1067148779.db2.gz INDQAZFXYSKKSK-UHFFFAOYSA-N 1 0 453.564 4.510 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCC[C@H](SC)C1)[NH+]1CCOCC1 ZINC001545817391 1067149273 /nfs/dbraw/zinc/14/92/73/1067149273.db2.gz JIMISGSUHANFKN-VXKWHMMOSA-N 1 0 465.752 4.726 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+](C)C ZINC001545817635 1067150461 /nfs/dbraw/zinc/15/04/61/1067150461.db2.gz NENUNQRLVCDBAZ-RUZDIDTESA-N 1 0 464.633 4.641 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+](C)C ZINC001545818259 1067152497 /nfs/dbraw/zinc/15/24/97/1067152497.db2.gz YJXVFSVNBZFOGD-RUZDIDTESA-N 1 0 464.633 4.641 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001545819346 1067153602 /nfs/dbraw/zinc/15/36/02/1067153602.db2.gz DKQVNXNRUCQPNM-HSVZTMRRSA-N 1 0 490.737 4.898 20 0 JJADRO CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCOCC1 ZINC001545819289 1067153727 /nfs/dbraw/zinc/15/37/27/1067153727.db2.gz COIQZBMLUUCOIX-OZXSUGGESA-N 1 0 467.702 4.827 20 0 JJADRO Cc1cc(NC(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)ccc1C[NH+](C)C ZINC001451200149 1067153983 /nfs/dbraw/zinc/15/39/83/1067153983.db2.gz WCGHFEYRKURNCZ-UHFFFAOYSA-N 1 0 455.599 4.531 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CCC(OCc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819362 1067154306 /nfs/dbraw/zinc/15/43/06/1067154306.db2.gz DSKGUAIZFSAAMB-SANMLTNESA-N 1 0 497.728 4.898 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCOCC1 ZINC001545819393 1067154375 /nfs/dbraw/zinc/15/43/75/1067154375.db2.gz FDEMNPDNVPTIAQ-BWKNWUBXSA-N 1 0 487.664 4.760 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001545819613 1067155460 /nfs/dbraw/zinc/15/54/60/1067155460.db2.gz JIFFNDLNACERDA-UTKZUKDTSA-N 1 0 466.095 4.819 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001545819748 1067156219 /nfs/dbraw/zinc/15/62/19/1067156219.db2.gz LJDVXSQEBVCURA-QFIPXVFZSA-N 1 0 473.637 4.512 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1C1(c2ccccc2)CCC1)[NH+](C)C ZINC001545819804 1067156241 /nfs/dbraw/zinc/15/62/41/1067156241.db2.gz MOBDJSDBIXULQU-SANMLTNESA-N 1 0 494.728 4.562 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545819961 1067156610 /nfs/dbraw/zinc/15/66/10/1067156610.db2.gz PCECLBWNSMEBQE-NRSPTQNISA-N 1 0 478.726 4.682 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545820154 1067157150 /nfs/dbraw/zinc/15/71/50/1067157150.db2.gz RVGLXCKUMZLXNH-COPCDDAFSA-N 1 0 497.606 4.688 20 0 JJADRO CC[C@@H]1CCCC[C@H]1C(=O)NCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001451303698 1067158561 /nfs/dbraw/zinc/15/85/61/1067158561.db2.gz NQYIJYRAZJATJB-DHIUTWEWSA-N 1 0 457.659 4.879 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545820276 1067158552 /nfs/dbraw/zinc/15/85/52/1067158552.db2.gz VCSTWNKIQPYSHJ-HYBUGGRVSA-N 1 0 466.674 4.651 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCOC[C@@H](C2CCC2)C1)[NH+](C)C ZINC001545820444 1067159118 /nfs/dbraw/zinc/15/91/18/1067159118.db2.gz XMTJNTARLCZMDA-GOTSBHOMSA-N 1 0 459.704 4.550 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)[NH+](C)C ZINC001545820481 1067159284 /nfs/dbraw/zinc/15/92/84/1067159284.db2.gz YIOKTNNNUAXAOV-GPXOXTDOSA-N 1 0 469.674 4.537 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001545820309 1067159289 /nfs/dbraw/zinc/15/92/89/1067159289.db2.gz VLKRMISFOJWYTK-FQEVSTJZSA-N 1 0 471.612 4.725 20 0 JJADRO CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2CCCC3(CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001451320952 1067159434 /nfs/dbraw/zinc/15/94/34/1067159434.db2.gz BMIBULZRSXFLEY-JOCHJYFZSA-N 1 0 455.643 4.633 20 0 JJADRO CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2CCCC3(CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001451320958 1067159459 /nfs/dbraw/zinc/15/94/59/1067159459.db2.gz BMIBULZRSXFLEY-QFIPXVFZSA-N 1 0 455.643 4.633 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(C1)CCCOC2)[NH+](C)C ZINC001545820548 1067160405 /nfs/dbraw/zinc/16/04/05/1067160405.db2.gz ZQZSMHCJNCPSDL-NAKRPHOHSA-N 1 0 483.701 4.847 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(C1)CCCOC2)[NH+](C)C ZINC001545820545 1067160439 /nfs/dbraw/zinc/16/04/39/1067160439.db2.gz ZQZSMHCJNCPSDL-LBNVMWSVSA-N 1 0 483.701 4.847 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001545821356 1067160566 /nfs/dbraw/zinc/16/05/66/1067160566.db2.gz BHSRCKFBWNATCK-HZEGPAAWSA-N 1 0 480.673 4.511 20 0 JJADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001451357291 1067161418 /nfs/dbraw/zinc/16/14/18/1067161418.db2.gz SOJIVTAFVYKXGU-KRWDZBQOSA-N 1 0 453.384 4.614 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Nc2ccn(C)n2)nnc1-c1cc(F)ccc1Br)[NH+](C)C ZINC001545821712 1067161605 /nfs/dbraw/zinc/16/16/05/1067161605.db2.gz KIHOOZUFMSZRHE-GOSISDBHSA-N 1 0 478.414 4.690 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001545822025 1067162813 /nfs/dbraw/zinc/16/28/13/1067162813.db2.gz RHADMMKJNPBTFF-SDHSZQHLSA-N 1 0 487.664 4.585 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001545822026 1067162973 /nfs/dbraw/zinc/16/29/73/1067162973.db2.gz RHADMMKJNPBTFF-UBFVSLLYSA-N 1 0 487.664 4.585 20 0 JJADRO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)cc2)c1C ZINC001451390218 1067163716 /nfs/dbraw/zinc/16/37/16/1067163716.db2.gz YEGMRAGDFUSCAT-UHFFFAOYSA-N 1 0 455.555 4.557 20 0 JJADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(Br)sc1Br ZINC001545822717 1067164265 /nfs/dbraw/zinc/16/42/65/1067164265.db2.gz MXTBIWDQXCXFJU-UHFFFAOYSA-N 1 0 450.240 4.658 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N2CCC([NH+](CC)CC)CC2)on1 ZINC001545823081 1067164974 /nfs/dbraw/zinc/16/49/74/1067164974.db2.gz AFNDOGQEKWSZJP-UHFFFAOYSA-N 1 0 451.619 4.591 20 0 JJADRO CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)on1 ZINC001545823517 1067167467 /nfs/dbraw/zinc/16/74/67/1067167467.db2.gz OWFYDXUOODGOBP-RBUKOAKNSA-N 1 0 496.656 4.821 20 0 JJADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC001451462816 1067173195 /nfs/dbraw/zinc/17/31/95/1067173195.db2.gz WWXKFZDXPAQTOU-CQSZACIVSA-N 1 0 453.402 4.517 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001545826141 1067173359 /nfs/dbraw/zinc/17/33/59/1067173359.db2.gz GZRUGUWXSXVEQW-HTAPYJJXSA-N 1 0 490.643 4.793 20 0 JJADRO CCc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2OC)c2c(CC(C)(C)C)noc2n1 ZINC001451464600 1067173990 /nfs/dbraw/zinc/17/39/90/1067173990.db2.gz ZOCYSEGKWLSGNI-UHFFFAOYSA-N 1 0 454.571 4.575 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001545826535 1067174466 /nfs/dbraw/zinc/17/44/66/1067174466.db2.gz PHPDCVNQNDTPAJ-LGVUCKNBSA-N 1 0 468.690 4.904 20 0 JJADRO CCC(CC)c1cc(Cn2c(COc3ccccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)on1 ZINC001545826508 1067174482 /nfs/dbraw/zinc/17/44/82/1067174482.db2.gz OTDRPNIGMFOGTO-UHFFFAOYSA-N 1 0 484.620 4.857 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001545828105 1067178286 /nfs/dbraw/zinc/17/82/86/1067178286.db2.gz KDIZIRFCDLLJCO-QFIPXVFZSA-N 1 0 464.614 4.703 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001451585669 1067179851 /nfs/dbraw/zinc/17/98/51/1067179851.db2.gz JFDVQGASNSIHGF-MJTJJFPGSA-N 1 0 469.670 4.734 20 0 JJADRO C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC001458871762 1067180944 /nfs/dbraw/zinc/18/09/44/1067180944.db2.gz CZNOOQQNHWYZPU-HXSWCURESA-N 1 0 451.577 4.904 20 0 JJADRO CN(C(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001458881053 1067184905 /nfs/dbraw/zinc/18/49/05/1067184905.db2.gz UUCAJXTWYBJUHE-SJROBZAFSA-N 1 0 450.042 4.768 20 0 JJADRO CC[NH+]1CCC(N2CCCN(C(=O)C(CC)(CC)Cc3nc4ccccc4s3)CC2)CC1 ZINC001451671146 1067185607 /nfs/dbraw/zinc/18/56/07/1067185607.db2.gz FKNKPXNHVYFUPH-UHFFFAOYSA-N 1 0 456.700 4.664 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001545835143 1067186485 /nfs/dbraw/zinc/18/64/85/1067186485.db2.gz MUMXZISFIIHZPY-SFHVURJKSA-N 1 0 494.606 4.584 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1CC[NH+]1CCCCCC1 ZINC001545836216 1067188883 /nfs/dbraw/zinc/18/88/83/1067188883.db2.gz GIKUBPNPHQKFST-UHFFFAOYSA-N 1 0 494.606 4.728 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001546104591 1067190247 /nfs/dbraw/zinc/19/02/47/1067190247.db2.gz CAXNRQMNTHITQO-UHFFFAOYSA-N 1 0 485.673 4.863 20 0 JJADRO Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc1 ZINC001451873424 1067195768 /nfs/dbraw/zinc/19/57/68/1067195768.db2.gz ANVBPMQTCLBARS-LJQANCHMSA-N 1 0 458.628 4.813 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001545846033 1067198714 /nfs/dbraw/zinc/19/87/14/1067198714.db2.gz ZLGJLGLXZPPZQA-NRFANRHFSA-N 1 0 472.703 4.547 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001545849948 1067204731 /nfs/dbraw/zinc/20/47/31/1067204731.db2.gz XAUYDSPBKYTWPH-OTPAQWSUSA-N 1 0 480.701 4.516 20 0 JJADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC001452060900 1067205205 /nfs/dbraw/zinc/20/52/05/1067205205.db2.gz RGBZJZDUCITRQU-UHFFFAOYSA-N 1 0 454.577 4.849 20 0 JJADRO CC(C)N(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001452138263 1067208803 /nfs/dbraw/zinc/20/88/03/1067208803.db2.gz QZAXZIKAGWMQGU-YOQJIWRBSA-N 1 0 455.643 4.701 20 0 JJADRO CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001546104936 1067220677 /nfs/dbraw/zinc/22/06/77/1067220677.db2.gz OEWDXFPRMSYCNW-HOFKKMOUSA-N 1 0 469.674 4.638 20 0 JJADRO CCC(C)(C)[NH+]1CCN(C(=O)CCc2cc(Br)c(Br)s2)CC1 ZINC001452654095 1067241417 /nfs/dbraw/zinc/24/14/17/1067241417.db2.gz HXPBRCOYXDPGJH-UHFFFAOYSA-N 1 0 452.256 4.539 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)s2)cc1OC ZINC001459064382 1067242401 /nfs/dbraw/zinc/24/24/01/1067242401.db2.gz PWJAPLWOUIJZFK-AOMKIAJQSA-N 1 0 453.608 4.865 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3cc(-c4c(F)cccc4F)no3)cc2)C[C@H](C)O1 ZINC001452689088 1067243920 /nfs/dbraw/zinc/24/39/20/1067243920.db2.gz VTQNGSMLOBDTHC-CALCHBBNSA-N 1 0 455.505 4.501 20 0 JJADRO Cc1[nH]c(=O)c(C(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1-c1ccccc1 ZINC001452690551 1067244351 /nfs/dbraw/zinc/24/43/51/1067244351.db2.gz JJBPSYGSOJJQNK-BGYRXZFFSA-N 1 0 459.590 4.644 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@H](C)[C@@H]3C)c2)n1 ZINC001452768010 1067249886 /nfs/dbraw/zinc/24/98/86/1067249886.db2.gz HHTOXNDSSBQGIL-HBMCJLEFSA-N 1 0 459.594 4.666 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)[C@H]3C)c2)n1 ZINC001452768018 1067250161 /nfs/dbraw/zinc/25/01/61/1067250161.db2.gz HHTOXNDSSBQGIL-PCCBWWKXSA-N 1 0 459.594 4.666 20 0 JJADRO C[C@@H]1Cc2ncn(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)nc3)c2C[C@@H]1C ZINC001459102266 1067250731 /nfs/dbraw/zinc/25/07/31/1067250731.db2.gz CNPZFOWQZIYPQQ-CABCVRRESA-N 1 0 455.356 4.842 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)N2CCOCC2)C1 ZINC001546106289 1067250783 /nfs/dbraw/zinc/25/07/83/1067250783.db2.gz PZMHNFZBMKRDMM-QGZVFWFLSA-N 1 0 466.457 4.989 20 0 JJADRO CCOC(=O)c1c2c(sc1NC(=O)CS[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC001459138197 1067258370 /nfs/dbraw/zinc/25/83/70/1067258370.db2.gz CBIVSBUREGUBFV-GOSISDBHSA-N 1 0 458.649 4.750 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001459139622 1067259026 /nfs/dbraw/zinc/25/90/26/1067259026.db2.gz BSOBIQMAPKGTGC-ISKFKSNPSA-N 1 0 454.636 4.765 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546045317 1067259540 /nfs/dbraw/zinc/25/95/40/1067259540.db2.gz NLIVNPNYNRUUNT-VMODYCNZSA-N 1 0 469.674 4.913 20 0 JJADRO C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC001459179505 1067266560 /nfs/dbraw/zinc/26/65/60/1067266560.db2.gz GCBMJZXSQODZRT-VXKWHMMOSA-N 1 0 457.659 4.629 20 0 JJADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC001452967375 1067269072 /nfs/dbraw/zinc/26/90/72/1067269072.db2.gz BYJWUJKSHZLAIN-KRWDZBQOSA-N 1 0 455.318 4.857 20 0 JJADRO CCOc1ccc(-c2nc(C)c(C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)s2)cc1 ZINC001452975731 1067269433 /nfs/dbraw/zinc/26/94/33/1067269433.db2.gz NPRFBPMUKVSDNK-UHFFFAOYSA-N 1 0 450.608 4.554 20 0 JJADRO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452996978 1067272637 /nfs/dbraw/zinc/27/26/37/1067272637.db2.gz YDWVGAZPFCWAFR-SFHVURJKSA-N 1 0 450.385 4.693 20 0 JJADRO CN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)C(C)(C)C[NH+]1CCCCCC1 ZINC001459246081 1067277179 /nfs/dbraw/zinc/27/71/79/1067277179.db2.gz PNHAZFVORFVWNO-UHFFFAOYSA-N 1 0 452.368 4.970 20 0 JJADRO C[N@H+](Cc1ccc2nc(NC(=O)c3c[nH]c(=NC(=O)OC(C)(C)C)s3)sc2c1)C1CC1 ZINC001453111451 1067279320 /nfs/dbraw/zinc/27/93/20/1067279320.db2.gz PGLZQBIVGVLREK-UHFFFAOYSA-N 1 0 459.597 4.946 20 0 JJADRO CCC1(CC)CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001546107662 1067281024 /nfs/dbraw/zinc/28/10/24/1067281024.db2.gz UVHDPRNITSUTAS-UHFFFAOYSA-N 1 0 450.606 4.936 20 0 JJADRO COc1cccc(C[NH+]2CCC(NC(=O)Cc3c(C)cc(C)c(Br)c3C)CC2)c1 ZINC001453150595 1067283707 /nfs/dbraw/zinc/28/37/07/1067283707.db2.gz UUECMFCGWCXWOC-UHFFFAOYSA-N 1 0 459.428 4.706 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001453169612 1067285367 /nfs/dbraw/zinc/28/53/67/1067285367.db2.gz JZCNLRSCKHNJHO-HXUWFJFHSA-N 1 0 452.039 4.656 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(-n2cc(C)cn2)c(F)cc1N ZINC001453173259 1067285767 /nfs/dbraw/zinc/28/57/67/1067285767.db2.gz UOLLHBRNWLPBAD-UHFFFAOYSA-N 1 0 457.981 4.540 20 0 JJADRO CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)O1 ZINC001546048524 1067288839 /nfs/dbraw/zinc/28/88/39/1067288839.db2.gz NIOBOOLCQYXUEQ-CPJSRVTESA-N 1 0 477.600 4.815 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)O1 ZINC001546048525 1067289145 /nfs/dbraw/zinc/28/91/45/1067289145.db2.gz NIOBOOLCQYXUEQ-NBGIEHNGSA-N 1 0 477.600 4.815 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546048844 1067294516 /nfs/dbraw/zinc/29/45/16/1067294516.db2.gz QQNJMGWSPBAOER-WZONZLPQSA-N 1 0 494.453 4.725 20 0 JJADRO CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)O1 ZINC001546049316 1067295756 /nfs/dbraw/zinc/29/57/56/1067295756.db2.gz YFXVPMRRQAMGTH-DWACAAAGSA-N 1 0 499.700 4.868 20 0 JJADRO COc1cc2c(cc1OC)CC[NH+](Cc1cc(C)c(I)cc1C)CC2 ZINC001459351653 1067301206 /nfs/dbraw/zinc/30/12/06/1067301206.db2.gz VMHCXKKYYJIPRK-UHFFFAOYSA-N 1 0 451.348 4.526 20 0 JJADRO CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1OCC ZINC001453395393 1067303539 /nfs/dbraw/zinc/30/35/39/1067303539.db2.gz HAZZRSKKHXXMJJ-HXUWFJFHSA-N 1 0 452.595 4.565 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(Cc2ccccc2)Cc2ccc(F)cc2)CC1 ZINC001459377614 1067307760 /nfs/dbraw/zinc/30/77/60/1067307760.db2.gz UGXVBWBJROZQCE-UHFFFAOYSA-N 1 0 459.609 4.917 20 0 JJADRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)C[C@@H](O)c1cc(Br)no1 ZINC001459377677 1067307907 /nfs/dbraw/zinc/30/79/07/1067307907.db2.gz VORUJFMBYRTZHC-GOSISDBHSA-N 1 0 452.324 4.609 20 0 JJADRO CC(C)(C)OC(=O)NCCCCCCC[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001459386845 1067310124 /nfs/dbraw/zinc/31/01/24/1067310124.db2.gz PNAPOGZBFPCGSO-UHFFFAOYSA-N 1 0 456.002 4.712 20 0 JJADRO COC(=O)CC[N@@H+](CC(=O)N(Cc1ccccc1)c1nc2c(cccc2C)s1)CC(C)C ZINC001459391418 1067311302 /nfs/dbraw/zinc/31/13/02/1067311302.db2.gz GFIRDWIXUCOLBO-UHFFFAOYSA-N 1 0 453.608 4.659 20 0 JJADRO C[C@@H]1CCC[C@@H]([N@H+](CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001459392835 1067311344 /nfs/dbraw/zinc/31/13/44/1067311344.db2.gz LVPATRCIGNGRIF-DNVFCKCGSA-N 1 0 459.608 4.525 20 0 JJADRO CC[N@@H+]1CCCN(Cc2csc(=Nc3ccc(OC)cc3)n2[C@H](C)c2ccccc2)CC1 ZINC001459408264 1067315244 /nfs/dbraw/zinc/31/52/44/1067315244.db2.gz ZGHQFFMHRDZLMU-OAQYLSRUSA-N 1 0 450.652 4.928 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001459414647 1067317724 /nfs/dbraw/zinc/31/77/24/1067317724.db2.gz KYRFLLGZIHJSIO-JOCHJYFZSA-N 1 0 454.412 4.890 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c(F)ccc(Br)c1F ZINC001459414937 1067318503 /nfs/dbraw/zinc/31/85/03/1067318503.db2.gz LAEPVKDYOXAZFR-LJQANCHMSA-N 1 0 451.355 4.687 20 0 JJADRO CC(C)OCC[C@H](O)C[NH+]1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001459422735 1067320741 /nfs/dbraw/zinc/32/07/41/1067320741.db2.gz JPRFYDURNYBMRY-QHCPKHFHSA-N 1 0 451.438 4.876 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001546108850 1067324530 /nfs/dbraw/zinc/32/45/30/1067324530.db2.gz MANPZYJQGWMYCJ-UHFFFAOYSA-N 1 0 460.066 4.651 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC001546054642 1067327574 /nfs/dbraw/zinc/32/75/74/1067327574.db2.gz PYOAWVFTXQHTHJ-VBANMALSSA-N 1 0 453.675 4.925 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCn2cc(-c3cccc(NC(=O)OC(C)(C)C)c3)nc21 ZINC001453768777 1067328558 /nfs/dbraw/zinc/32/85/58/1067328558.db2.gz FABLZUMQBYZQQE-OAQYLSRUSA-N 1 0 453.587 4.507 20 0 JJADRO O=C(NCC(F)(F)c1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001453882014 1067334171 /nfs/dbraw/zinc/33/41/71/1067334171.db2.gz FVMXIVDFQXXNKU-INIZCTEOSA-N 1 0 455.318 4.708 20 0 JJADRO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CC(=O)NCc2cccc(COC(C)C)c2)C1 ZINC001459525725 1067344682 /nfs/dbraw/zinc/34/46/82/1067344682.db2.gz JCCWFLPTGLGGKN-OAQYLSRUSA-N 1 0 459.030 4.845 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001459528965 1067345351 /nfs/dbraw/zinc/34/53/51/1067345351.db2.gz ZOEOIEQNXBPFJU-WOJBJXKFSA-N 1 0 454.640 4.525 20 0 JJADRO COc1ccc2c(c1)[C@H]([N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1)CCO2 ZINC001459566572 1067353616 /nfs/dbraw/zinc/35/36/16/1067353616.db2.gz AYOBKBHWWHKRFZ-RTBURBONSA-N 1 0 459.340 4.505 20 0 JJADRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC001459567326 1067354003 /nfs/dbraw/zinc/35/40/03/1067354003.db2.gz VBIIOGMAPHRXKL-DWLFOUALSA-N 1 0 459.512 4.869 20 0 JJADRO CCc1ccc(-c2cc(NC(=O)CN3CC[C@@H](C[NH+](CC)CC)C3)n(-c3ccccc3)n2)cc1 ZINC001459569045 1067354462 /nfs/dbraw/zinc/35/44/62/1067354462.db2.gz HMIALSDYUHANCY-QHCPKHFHSA-N 1 0 459.638 4.704 20 0 JJADRO CCC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001459574321 1067355732 /nfs/dbraw/zinc/35/57/32/1067355732.db2.gz DWHRILHEANXWSS-RPBOFIJWSA-N 1 0 457.659 4.692 20 0 JJADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001459621300 1067366477 /nfs/dbraw/zinc/36/64/77/1067366477.db2.gz YYLAIJYDTZTHID-OAHLLOKOSA-N 1 0 454.514 4.639 20 0 JJADRO Ic1ccccc1OC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC001459626409 1067367407 /nfs/dbraw/zinc/36/74/07/1067367407.db2.gz HYBPBORIBKUCCE-UHFFFAOYSA-N 1 0 459.331 4.520 20 0 JJADRO O=C(CCc1ccccc1)N1CCC[N@@H+](CCCCOc2ccc(Br)cc2)CC1 ZINC001459627754 1067367768 /nfs/dbraw/zinc/36/77/68/1067367768.db2.gz OMSPKUPFHFMTGB-UHFFFAOYSA-N 1 0 459.428 4.775 20 0 JJADRO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001459629249 1067368467 /nfs/dbraw/zinc/36/84/67/1067368467.db2.gz NSYMQBALXCMAJJ-UHFFFAOYSA-N 1 0 451.561 4.798 20 0 JJADRO Cc1nc(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)sc1Cc1ccc(F)cc1F ZINC001459638949 1067370108 /nfs/dbraw/zinc/37/01/08/1067370108.db2.gz QQXBZKAPJWYJAS-UHFFFAOYSA-N 1 0 459.562 4.832 20 0 JJADRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccc(I)cc3)n2)C12CCC2 ZINC001459664827 1067376125 /nfs/dbraw/zinc/37/61/25/1067376125.db2.gz BYFXCWWXEPROHU-QZTJIDSGSA-N 1 0 452.336 4.726 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001459668471 1067377732 /nfs/dbraw/zinc/37/77/32/1067377732.db2.gz HFUBJRNMRLICNO-NZQKXSOJSA-N 1 0 451.659 4.793 20 0 JJADRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(C(=O)OC)c3cccnc23)CC1 ZINC001459692347 1067385299 /nfs/dbraw/zinc/38/52/99/1067385299.db2.gz BMLNOKIYGFZTAR-UHFFFAOYSA-N 1 0 451.592 4.600 20 0 JJADRO COc1cc(N[C@@H]2CCC[N@H+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)C2)cc(OC)c1 ZINC001459696242 1067386538 /nfs/dbraw/zinc/38/65/38/1067386538.db2.gz RNCIGGJEVWMEAT-OAQYLSRUSA-N 1 0 457.590 4.547 20 0 JJADRO O=C(C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)Nc1ccc(F)cc1F ZINC001459697120 1067387052 /nfs/dbraw/zinc/38/70/52/1067387052.db2.gz XDYXIJHSTFBXAJ-UHFFFAOYSA-N 1 0 452.501 4.778 20 0 JJADRO CC(C)(C)OC(=O)N1CC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C2(CCCCC2)C1 ZINC001459699142 1067387857 /nfs/dbraw/zinc/38/78/57/1067387857.db2.gz PNTQSGHDAZXUIQ-FQEVSTJZSA-N 1 0 456.549 4.864 20 0 JJADRO C[C@]1(CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001459705281 1067388960 /nfs/dbraw/zinc/38/89/60/1067388960.db2.gz FZCUBGQWSSDBPV-YGBRCLJQSA-N 1 0 453.671 4.660 20 0 JJADRO CCCCn1c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCC)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459706940 1067389480 /nfs/dbraw/zinc/38/94/80/1067389480.db2.gz BZFYRUVJKFATEI-CTNGQTDRSA-N 1 0 451.615 4.548 20 0 JJADRO CC(C)(C)OC(=O)C1(CC[NH+]2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)CCC1 ZINC001459707243 1067389959 /nfs/dbraw/zinc/38/99/59/1067389959.db2.gz MITQKMHUDPDPPL-UHFFFAOYSA-N 1 0 459.631 4.969 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cnc(-c4ccccc4)nc3C)c(OCC)c2)CC1 ZINC001459709657 1067390763 /nfs/dbraw/zinc/39/07/63/1067390763.db2.gz GGTROIFPXOOHER-UHFFFAOYSA-N 1 0 459.594 4.635 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3OCc4cc(Cl)ccc43)c(OCC)c2)CC1 ZINC001459710771 1067391595 /nfs/dbraw/zinc/39/15/95/1067391595.db2.gz QRUZGADIBFWBTI-QHCPKHFHSA-N 1 0 458.002 4.871 20 0 JJADRO CC[C@H](NC(=O)C[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC001459714782 1067392923 /nfs/dbraw/zinc/39/29/23/1067392923.db2.gz BXMDBSNIZIBOPX-REIDKSKDSA-N 1 0 452.039 4.971 20 0 JJADRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC001459715500 1067393422 /nfs/dbraw/zinc/39/34/22/1067393422.db2.gz IIEKZXAUXZGIHK-CJFMBICVSA-N 1 0 452.595 4.861 20 0 JJADRO COc1ccc([C@H]([NH2+]C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c2ccc(F)cc2)cc1 ZINC001459723922 1067396206 /nfs/dbraw/zinc/39/62/06/1067396206.db2.gz WTEYAAIPWHPRNP-XZOQPEGZSA-N 1 0 456.558 4.682 20 0 JJADRO O=C(NC[C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1)Nc1cccc(F)c1 ZINC001459730084 1067398414 /nfs/dbraw/zinc/39/84/14/1067398414.db2.gz KAYZLGXMJHBGCU-INIZCTEOSA-N 1 0 457.937 4.605 20 0 JJADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC001459744033 1067403080 /nfs/dbraw/zinc/40/30/80/1067403080.db2.gz URMJLPQEYZKOOK-UHFFFAOYSA-N 1 0 459.775 4.896 20 0 JJADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC001459744233 1067403084 /nfs/dbraw/zinc/40/30/84/1067403084.db2.gz WCKWWRLCCOUVQI-OXJNMPFZSA-N 1 0 453.892 4.568 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]([NH+]2CCC(OCc3ccccc3F)CC2)[C@H](O)c2ccccc21 ZINC001459771994 1067415975 /nfs/dbraw/zinc/41/59/75/1067415975.db2.gz BLMWRHTVWSEFTD-DNQXCXABSA-N 1 0 456.558 4.664 20 0 JJADRO CCN(CCOC)c1cccc(C[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC001459782411 1067419401 /nfs/dbraw/zinc/41/94/01/1067419401.db2.gz YTDVZSJNGDHNSA-NRFANRHFSA-N 1 0 455.647 4.830 20 0 JJADRO C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782399 1067419430 /nfs/dbraw/zinc/41/94/30/1067419430.db2.gz YPXVFKQFVHRFTF-DBXWQHBBSA-N 1 0 450.023 4.629 20 0 JJADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001459789202 1067422800 /nfs/dbraw/zinc/42/28/00/1067422800.db2.gz YCGMMHZQSUHQDT-VWLOTQADSA-N 1 0 452.986 4.669 20 0 JJADRO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[N@@H+](C)C3CCC(CO)CC3)nc2c1C ZINC001459788178 1067422845 /nfs/dbraw/zinc/42/28/45/1067422845.db2.gz ZRCHGBNNCRWAET-UHFFFAOYSA-N 1 0 451.636 4.929 20 0 JJADRO COc1ccc(Br)cc1C[N@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC001459790911 1067423925 /nfs/dbraw/zinc/42/39/25/1067423925.db2.gz NITVAWPJVIEQGN-UHFFFAOYSA-N 1 0 456.178 4.681 20 0 JJADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC001459791157 1067424018 /nfs/dbraw/zinc/42/40/18/1067424018.db2.gz MQWCQIXZUOFPAP-LJQANCHMSA-N 1 0 459.569 4.746 20 0 JJADRO COc1ccc(N=c2scc(C[N@@H+]3CCC[C@@](C)(CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001459798554 1067428653 /nfs/dbraw/zinc/42/86/53/1067428653.db2.gz SUWPDFJRUBXRGN-FQRUVTKNSA-N 1 0 451.636 4.994 20 0 JJADRO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH2+][C@H](CO)C(C)(C)C)cc1 ZINC001459803509 1067430744 /nfs/dbraw/zinc/43/07/44/1067430744.db2.gz HFSCKUHLQVRBJI-IZZNHLLZSA-N 1 0 459.590 4.523 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001546112042 1067434018 /nfs/dbraw/zinc/43/40/18/1067434018.db2.gz AJKKFBWDFYOFNB-XMMPIXPASA-N 1 0 483.701 4.991 20 0 JJADRO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCCC1)NCc1cccc(COCc2ccco2)c1 ZINC001459816100 1067435961 /nfs/dbraw/zinc/43/59/61/1067435961.db2.gz GCSSFQGXHAWJEJ-UHFFFAOYSA-N 1 0 454.517 4.950 20 0 JJADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CC(=O)NC[C@H]3CCN(c4ccccc4)C3)cc2)c1 ZINC001459823868 1067440198 /nfs/dbraw/zinc/44/01/98/1067440198.db2.gz FOYWYMWQJAIPEW-ILBGXUMGSA-N 1 0 457.618 4.867 20 0 JJADRO CC(C)Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C2CC2)cc1 ZINC001459823939 1067440212 /nfs/dbraw/zinc/44/02/12/1067440212.db2.gz FQIACZSUEDNLBH-QFIPXVFZSA-N 1 0 450.551 4.561 20 0 JJADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001459825336 1067440869 /nfs/dbraw/zinc/44/08/69/1067440869.db2.gz GRKRSYPPIXEPIW-GOSISDBHSA-N 1 0 450.352 4.626 20 0 JJADRO Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC001459827105 1067441282 /nfs/dbraw/zinc/44/12/82/1067441282.db2.gz PUHNHXOAIUJCBE-QGZVFWFLSA-N 1 0 451.995 4.952 20 0 JJADRO CCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC001459828940 1067442543 /nfs/dbraw/zinc/44/25/43/1067442543.db2.gz TXLDNBXXGXDXLD-QZTJIDSGSA-N 1 0 451.592 4.999 20 0 JJADRO CCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC001459828942 1067442618 /nfs/dbraw/zinc/44/26/18/1067442618.db2.gz TXLDNBXXGXDXLD-ROUUACIJSA-N 1 0 451.592 4.999 20 0 JJADRO CC(C)(C)C[C@@H]([NH2+]CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC001459830001 1067443267 /nfs/dbraw/zinc/44/32/67/1067443267.db2.gz HRCXQTJPKASBEL-HSZRJFAPSA-N 1 0 457.640 4.567 20 0 JJADRO C[N@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[C@@H]1CCCC[C@@H]1O ZINC001459840143 1067448196 /nfs/dbraw/zinc/44/81/96/1067448196.db2.gz LMSNEAJCVUYVHR-VJBMBRPKSA-N 1 0 452.422 4.943 20 0 JJADRO C[N@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[C@H]1CCCC[C@H]1O ZINC001459840149 1067448228 /nfs/dbraw/zinc/44/82/28/1067448228.db2.gz LMSNEAJCVUYVHR-WTIAFYNJSA-N 1 0 452.422 4.943 20 0 JJADRO C[C@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001459840776 1067448662 /nfs/dbraw/zinc/44/86/62/1067448662.db2.gz PVUWWYSRUSTZIT-KRWDZBQOSA-N 1 0 453.489 4.507 20 0 JJADRO CC(C)C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC001459841976 1067449021 /nfs/dbraw/zinc/44/90/21/1067449021.db2.gz MXCIFULJRSQMEO-QHCPKHFHSA-N 1 0 459.546 4.983 20 0 JJADRO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC001459843369 1067450091 /nfs/dbraw/zinc/45/00/91/1067450091.db2.gz WXWDEGJSQLVFNR-KRWDZBQOSA-N 1 0 451.954 4.568 20 0 JJADRO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC001459843370 1067450137 /nfs/dbraw/zinc/45/01/37/1067450137.db2.gz WXWDEGJSQLVFNR-QGZVFWFLSA-N 1 0 451.954 4.568 20 0 JJADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+][C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC001459844363 1067450522 /nfs/dbraw/zinc/45/05/22/1067450522.db2.gz RZFQTKFGTYNKCC-AIJLCFIGSA-N 1 0 459.558 4.504 20 0 JJADRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1Cn1cccn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001459843788 1067450574 /nfs/dbraw/zinc/45/05/74/1067450574.db2.gz QTNXVGXCQFUVFI-HXUWFJFHSA-N 1 0 458.537 4.830 20 0 JJADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+][C@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC001459844366 1067451163 /nfs/dbraw/zinc/45/11/63/1067451163.db2.gz RZFQTKFGTYNKCC-PFEPVGRASA-N 1 0 459.558 4.504 20 0 JJADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC001459848852 1067454151 /nfs/dbraw/zinc/45/41/51/1067454151.db2.gz ULNPKHFBFXPNTA-HNNXBMFYSA-N 1 0 452.336 4.676 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@H](c2ccccc2C)C(C)C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459850085 1067454950 /nfs/dbraw/zinc/45/49/50/1067454950.db2.gz NASRGFJXJXYMMQ-GOTSBHOMSA-N 1 0 455.986 4.806 20 0 JJADRO C[C@@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC001459850798 1067455671 /nfs/dbraw/zinc/45/56/71/1067455671.db2.gz LMYKHSXQFYUWAR-HZPDHXFCSA-N 1 0 459.468 4.906 20 0 JJADRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC001459851806 1067456200 /nfs/dbraw/zinc/45/62/00/1067456200.db2.gz HGZOOBJSQFNWGE-RTWAWAEBSA-N 1 0 451.394 4.769 20 0 JJADRO CC(C)C[C@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001459852105 1067457263 /nfs/dbraw/zinc/45/72/63/1067457263.db2.gz ALPRDJZWFBQCSZ-QFIPXVFZSA-N 1 0 451.508 4.870 20 0 JJADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2Br)ccc1OCc1ccncc1 ZINC001459853978 1067458251 /nfs/dbraw/zinc/45/82/51/1067458251.db2.gz QLSMUSVUYGCTHL-HRAATJIYSA-N 1 0 457.368 4.816 20 0 JJADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccncc1 ZINC001459855332 1067458623 /nfs/dbraw/zinc/45/86/23/1067458623.db2.gz VDKJWEBYVCWTJB-FPOVZHCZSA-N 1 0 455.599 4.967 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459865755 1067463548 /nfs/dbraw/zinc/46/35/48/1067463548.db2.gz YROVUKJTIHHNLX-HUUCEWRRSA-N 1 0 450.377 4.839 20 0 JJADRO C[C@@H]1C[C@H]1[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1ccc(Cl)cc1 ZINC001459870417 1067467385 /nfs/dbraw/zinc/46/73/85/1067467385.db2.gz NRWPGDMZEUGKBM-QHLBDZCJSA-N 1 0 454.739 4.870 20 0 JJADRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1ccc(Cl)cc1 ZINC001459870414 1067467413 /nfs/dbraw/zinc/46/74/13/1067467413.db2.gz NRWPGDMZEUGKBM-JLBUNGTFSA-N 1 0 454.739 4.870 20 0 JJADRO CCC[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC001459877987 1067470360 /nfs/dbraw/zinc/47/03/60/1067470360.db2.gz OAUTTXANXXFTPC-QGZVFWFLSA-N 1 0 452.338 4.544 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001546112449 1067472242 /nfs/dbraw/zinc/47/22/42/1067472242.db2.gz RORXBSQBYVYDTQ-HXUWFJFHSA-N 1 0 455.676 4.521 20 0 JJADRO CC[C@@H]1C[N@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459893106 1067476211 /nfs/dbraw/zinc/47/62/11/1067476211.db2.gz UAHNTHFMQKRCQN-QPPBQGQZSA-N 1 0 457.659 4.926 20 0 JJADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCN3CCN(c4ccccc4)CC3)s2)cc1 ZINC001459899855 1067479602 /nfs/dbraw/zinc/47/96/02/1067479602.db2.gz HYOCGBCOBJFWDO-FQEVSTJZSA-N 1 0 450.652 4.990 20 0 JJADRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1 ZINC001459901846 1067480747 /nfs/dbraw/zinc/48/07/47/1067480747.db2.gz OUQKCAXNUSVQDJ-OAHLLOKOSA-N 1 0 453.564 4.593 20 0 JJADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N3CCC[C@H]3c3ccc(OC)cc3OC)c(C)c2c1 ZINC001459904838 1067482589 /nfs/dbraw/zinc/48/25/89/1067482589.db2.gz OKAVEDKUFGIUCE-VGSWGCGISA-N 1 0 452.551 4.781 20 0 JJADRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@@H](C)c2sc(-c3ccccc3Br)nc2C)C1 ZINC001459907260 1067483606 /nfs/dbraw/zinc/48/36/06/1067483606.db2.gz BZYXIEOZFIIGIO-FZMZJTMJSA-N 1 0 451.386 4.768 20 0 JJADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459907229 1067483636 /nfs/dbraw/zinc/48/36/36/1067483636.db2.gz YVOUNAZVNFGUQU-GOSISDBHSA-N 1 0 452.599 4.565 20 0 JJADRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@H](C)c2sc(-c3ccccc3Br)nc2C)C1 ZINC001459907263 1067483661 /nfs/dbraw/zinc/48/36/61/1067483661.db2.gz BZYXIEOZFIIGIO-RISCZKNCSA-N 1 0 451.386 4.768 20 0 JJADRO Cc1ccc([C@@H](CC(F)(F)F)[NH2+]C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001459908040 1067484066 /nfs/dbraw/zinc/48/40/66/1067484066.db2.gz RZWMOGAYFJRIDN-GGAORHGYSA-N 1 0 450.501 4.742 20 0 JJADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459909851 1067485064 /nfs/dbraw/zinc/48/50/64/1067485064.db2.gz ZFODAYAIGLMAAO-HKUYNNGSSA-N 1 0 452.599 4.646 20 0 JJADRO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001459910509 1067485157 /nfs/dbraw/zinc/48/51/57/1067485157.db2.gz LVKPIGLTVLJPFW-SNVBAGLBSA-N 1 0 450.324 4.552 20 0 JJADRO C[C@H]([NH2+]CC[C@@H]1Sc2ccccc2NC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC001459913303 1067487843 /nfs/dbraw/zinc/48/78/43/1067487843.db2.gz VLGCPIDLQLPVFY-SJCJKPOMSA-N 1 0 459.369 4.653 20 0 JJADRO CC[C@@H]1CN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001459916555 1067489490 /nfs/dbraw/zinc/48/94/90/1067489490.db2.gz MWSFDZGMZMPVNP-PXJZQJOASA-N 1 0 459.609 4.970 20 0 JJADRO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH2+][C@H](CC)[C@H]1CCCO1 ZINC001459925241 1067494429 /nfs/dbraw/zinc/49/44/29/1067494429.db2.gz REEKDLYWNOYFAZ-QZTJIDSGSA-N 1 0 450.988 4.731 20 0 JJADRO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001459930705 1067496098 /nfs/dbraw/zinc/49/60/98/1067496098.db2.gz KVBBFCPJPSXKGD-VQIMIIECSA-N 1 0 450.501 4.779 20 0 JJADRO COc1ccccc1-c1nc(C2CC[NH+](C[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)no1 ZINC001459934246 1067497955 /nfs/dbraw/zinc/49/79/55/1067497955.db2.gz ZJTRPBWXASMIFN-PKOBYXMFSA-N 1 0 456.587 4.618 20 0 JJADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)c1 ZINC001459937031 1067499073 /nfs/dbraw/zinc/49/90/73/1067499073.db2.gz UEYSYBQIANAANZ-UHFFFAOYSA-N 1 0 459.518 4.839 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001459944013 1067501434 /nfs/dbraw/zinc/50/14/34/1067501434.db2.gz PCJLQNPFCYGMMI-AREMUKBSSA-N 1 0 457.615 4.511 20 0 JJADRO COc1ccc(N=c2scc(CN3CCC[C@H]([NH+](C)C)CC3)n2Cc2ccccc2)cc1 ZINC001459948640 1067503406 /nfs/dbraw/zinc/50/34/06/1067503406.db2.gz CIARSLLJPOCGMH-QHCPKHFHSA-N 1 0 450.652 4.755 20 0 JJADRO CCC1(CC)CCC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC001459950331 1067504458 /nfs/dbraw/zinc/50/44/58/1067504458.db2.gz ODRGZIKSAODSBS-UHFFFAOYSA-N 1 0 451.567 4.898 20 0 JJADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001459951804 1067504875 /nfs/dbraw/zinc/50/48/75/1067504875.db2.gz QTBQDYICMOHWOC-UPVQGACJSA-N 1 0 459.993 4.705 20 0 JJADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC001459955454 1067505967 /nfs/dbraw/zinc/50/59/67/1067505967.db2.gz HEXHRGZTKYURPH-LBPRGKRZSA-N 1 0 456.178 4.900 20 0 JJADRO CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955774 1067506377 /nfs/dbraw/zinc/50/63/77/1067506377.db2.gz VGMBASDGXRCQEL-GDBMZVCRSA-N 1 0 452.617 4.638 20 0 JJADRO COc1ccc(C(NC(=O)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC001459958183 1067507198 /nfs/dbraw/zinc/50/71/98/1067507198.db2.gz AWDDDZSKDMYDQS-RPLLCQBOSA-N 1 0 458.602 4.910 20 0 JJADRO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958660 1067507818 /nfs/dbraw/zinc/50/78/18/1067507818.db2.gz GWPSVIPISRTHDG-QZTJIDSGSA-N 1 0 455.400 4.846 20 0 JJADRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC001459965341 1067510057 /nfs/dbraw/zinc/51/00/57/1067510057.db2.gz HXDNNGPDLSZCJI-GNMGOMLTSA-N 1 0 451.611 4.783 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)C1 ZINC001459970359 1067510800 /nfs/dbraw/zinc/51/08/00/1067510800.db2.gz BIKLTGWIEDWDMO-IBGZPJMESA-N 1 0 457.775 4.571 20 0 JJADRO CCOc1ccc(CCCC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OCC ZINC001459977021 1067512901 /nfs/dbraw/zinc/51/29/01/1067512901.db2.gz GSZWNOLFAVWGJF-MUUNZHRXSA-N 1 0 450.623 4.931 20 0 JJADRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+][C@@H](C)c2ccc3ncsc3c2)cc1 ZINC001459991067 1067517632 /nfs/dbraw/zinc/51/76/32/1067517632.db2.gz MEQBAQBUUWPAFU-SFHVURJKSA-N 1 0 458.587 4.824 20 0 JJADRO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccsc2)cc1 ZINC001459999400 1067521004 /nfs/dbraw/zinc/52/10/04/1067521004.db2.gz ZAAGPKNVDPNIPE-QFIPXVFZSA-N 1 0 457.640 4.801 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH+]3CCC(Cc4ccc(F)c(F)c4)CC3)C2)C1 ZINC001460002266 1067521839 /nfs/dbraw/zinc/52/18/39/1067521839.db2.gz NDVAEALYKIPFNM-NBGIEHNGSA-N 1 0 450.570 4.635 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[NH+]3CCC(Cc4ccc(F)c(F)c4)CC3)C2)C1 ZINC001460002259 1067521857 /nfs/dbraw/zinc/52/18/57/1067521857.db2.gz NDVAEALYKIPFNM-CJFMBICVSA-N 1 0 450.570 4.635 20 0 JJADRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(Br)c1OC ZINC001460020035 1067530560 /nfs/dbraw/zinc/53/05/60/1067530560.db2.gz IUNVLKWPPIJRJZ-INIZCTEOSA-N 1 0 457.409 4.592 20 0 JJADRO OC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)c1ccc(Cl)cc1C(F)(F)F ZINC001460020053 1067530654 /nfs/dbraw/zinc/53/06/54/1067530654.db2.gz WBKUDDMQRMCTDR-HZPDHXFCSA-N 1 0 456.661 4.617 20 0 JJADRO CC1(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)CC[NH+](Cc2ccccc2)CC1 ZINC001460021538 1067531149 /nfs/dbraw/zinc/53/11/49/1067531149.db2.gz TXPIVAQRVVKGKD-UHFFFAOYSA-N 1 0 459.562 4.631 20 0 JJADRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039519 1067536588 /nfs/dbraw/zinc/53/65/88/1067536588.db2.gz LKZBYZCQXZOWOY-GFRNBQLOSA-N 1 0 455.624 4.591 20 0 JJADRO COc1cccc(S(=O)(=O)CC[NH2+][C@](C)(CC(C)C)c2cccc(Br)c2)c1 ZINC001460052333 1067539809 /nfs/dbraw/zinc/53/98/09/1067539809.db2.gz CSQXGYIEUOKWPX-OAQYLSRUSA-N 1 0 454.430 4.783 20 0 JJADRO COC(=O)c1ccc(OC)c(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)c1 ZINC001460055078 1067540192 /nfs/dbraw/zinc/54/01/92/1067540192.db2.gz YALQERKNWIYVRY-SFHVURJKSA-N 1 0 452.576 4.994 20 0 JJADRO CCN(C(=O)C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@H](C)c1ccc(F)cc1 ZINC001460073941 1067546578 /nfs/dbraw/zinc/54/65/78/1067546578.db2.gz VXBKLALPXRXTBP-HXOBKFHXSA-N 1 0 452.492 4.745 20 0 JJADRO COc1ccccc1[C@H]1CC[C@@H](C)CN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460086734 1067550356 /nfs/dbraw/zinc/55/03/56/1067550356.db2.gz WJLQKRZINMLIOJ-HYBUGGRVSA-N 1 0 453.652 4.656 20 0 JJADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001460086965 1067550446 /nfs/dbraw/zinc/55/04/46/1067550446.db2.gz VSWHFGAPLVNBGA-UHFFFAOYSA-N 1 0 458.528 4.610 20 0 JJADRO Cc1oc2ccccc2c1CC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC001460092176 1067552140 /nfs/dbraw/zinc/55/21/40/1067552140.db2.gz GUVFKNLNEZCYDL-OAHLLOKOSA-N 1 0 456.384 4.825 20 0 JJADRO CCC[C@]1([NH2+]CC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)CCOC1 ZINC001460095102 1067553105 /nfs/dbraw/zinc/55/31/05/1067553105.db2.gz AQNSLRYYGLQRGF-QFIPXVFZSA-N 1 0 450.988 4.733 20 0 JJADRO CCC[C@@]1([NH2+]CC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)CCOC1 ZINC001460095099 1067553220 /nfs/dbraw/zinc/55/32/20/1067553220.db2.gz AQNSLRYYGLQRGF-JOCHJYFZSA-N 1 0 450.988 4.733 20 0 JJADRO COc1ccc(/C(C)=C/C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)cc1 ZINC001460095720 1067553429 /nfs/dbraw/zinc/55/34/29/1067553429.db2.gz XQMIWSQPXOYQEB-HJUDDPQBSA-N 1 0 458.400 4.640 20 0 JJADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001460095752 1067553490 /nfs/dbraw/zinc/55/34/90/1067553490.db2.gz ODHRYEASFFUERY-AMDXRBSFSA-N 1 0 450.623 4.658 20 0 JJADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001460095764 1067553562 /nfs/dbraw/zinc/55/35/62/1067553562.db2.gz ODHRYEASFFUERY-NIJXNBFTSA-N 1 0 450.623 4.658 20 0 JJADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001460103189 1067555602 /nfs/dbraw/zinc/55/56/02/1067555602.db2.gz CHXRKWDDNZFQJN-OAQYLSRUSA-N 1 0 451.696 4.625 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001460105845 1067556257 /nfs/dbraw/zinc/55/62/57/1067556257.db2.gz MLNWUUGTVWQIRC-NRSPTQNISA-N 1 0 465.679 4.847 20 0 JJADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC001460108807 1067556566 /nfs/dbraw/zinc/55/65/66/1067556566.db2.gz YARAKBNPGGODOU-ZBFHGGJFSA-N 1 0 456.395 4.767 20 0 JJADRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001460111092 1067557051 /nfs/dbraw/zinc/55/70/51/1067557051.db2.gz KGJDJUJYZJQSSP-BEVDRBHNSA-N 1 0 453.421 4.904 20 0 JJADRO COc1cc(OC)c(CNC(=O)C[NH+]2CCC(c3ccc(C(C)(C)C)cc3)CC2)c(OC)c1 ZINC001460125328 1067560102 /nfs/dbraw/zinc/56/01/02/1067560102.db2.gz LQWCXJPGRGVNKI-UHFFFAOYSA-N 1 0 454.611 4.506 20 0 JJADRO O=C1[C@H]([NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)CCN1c1ccc(F)c(Cl)c1 ZINC001460135419 1067562121 /nfs/dbraw/zinc/56/21/21/1067562121.db2.gz AFKNGRBATFEVDR-HXUWFJFHSA-N 1 0 455.332 4.758 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[N@@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)C2)C1 ZINC001460146568 1067564461 /nfs/dbraw/zinc/56/44/61/1067564461.db2.gz YTPGHDVXYJDYKO-JXHRLWIKSA-N 1 0 453.048 4.923 20 0 JJADRO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC001460154728 1067566374 /nfs/dbraw/zinc/56/63/74/1067566374.db2.gz YSLUDLJCMMPRIZ-VWLOTQADSA-N 1 0 458.002 4.887 20 0 JJADRO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC001460154727 1067566415 /nfs/dbraw/zinc/56/64/15/1067566415.db2.gz YSLUDLJCMMPRIZ-RUZDIDTESA-N 1 0 458.002 4.887 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155682 1067566459 /nfs/dbraw/zinc/56/64/59/1067566459.db2.gz AWHHSHIFNXPCNC-DLBZAZTESA-N 1 0 453.986 4.777 20 0 JJADRO Cc1ccccc1C[N@@H+](Cc1ccccn1)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158466 1067567329 /nfs/dbraw/zinc/56/73/29/1067567329.db2.gz PNCLIJVCEDLHJM-RPLLCQBOSA-N 1 0 451.611 4.808 20 0 JJADRO COC(=O)c1cccc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1Cl ZINC001460160645 1067567558 /nfs/dbraw/zinc/56/75/58/1067567558.db2.gz HSTICBCBQZOXAJ-OFNKIYASSA-N 1 0 455.913 4.807 20 0 JJADRO O[C@@H](C[N@H+](CCc1ccc(Cl)cc1)CCc1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC001460175280 1067570887 /nfs/dbraw/zinc/57/08/87/1067570887.db2.gz MKPDEMBDLJJBMA-SFHVURJKSA-N 1 0 451.819 4.672 20 0 JJADRO COC(=O)c1cccc(C[NH+]2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1Cl ZINC001460180477 1067572379 /nfs/dbraw/zinc/57/23/79/1067572379.db2.gz OAPDHUYIVJYHKF-VXKWHMMOSA-N 1 0 456.970 4.654 20 0 JJADRO COC(=O)c1cccc(C[NH+]2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1Cl ZINC001460180481 1067572396 /nfs/dbraw/zinc/57/23/96/1067572396.db2.gz OAPDHUYIVJYHKF-YADHBBJMSA-N 1 0 456.970 4.654 20 0 JJADRO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCN(Cc1ccccc1)S(C)(=O)=O ZINC001460182390 1067573077 /nfs/dbraw/zinc/57/30/77/1067573077.db2.gz WBKQEHHVLYWHLO-OAQYLSRUSA-N 1 0 456.574 4.714 20 0 JJADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(Br)cc2F)c(OC)cc1Cl ZINC001460186348 1067574325 /nfs/dbraw/zinc/57/43/25/1067574325.db2.gz GCKGQTANRRQZKW-LLVKDONJSA-N 1 0 459.743 4.938 20 0 JJADRO Cc1cc(CC(C)(C)[NH2+]CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1Br ZINC001460188274 1067574861 /nfs/dbraw/zinc/57/48/61/1067574861.db2.gz KQEFZHQALVZFGS-UHFFFAOYSA-N 1 0 455.299 4.628 20 0 JJADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@H]3CCN(C)[C@@H]3c3ccc(F)cc3)n2)cc1C ZINC001460191810 1067575527 /nfs/dbraw/zinc/57/55/27/1067575527.db2.gz HCINIALVFCNWCH-XUZZJYLKSA-N 1 0 452.599 4.848 20 0 JJADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@H]3CCN(C)[C@@H]3c3ccc(F)cc3)n2)cc1C ZINC001460191812 1067575624 /nfs/dbraw/zinc/57/56/24/1067575624.db2.gz HCINIALVFCNWCH-ZJSXRUAMSA-N 1 0 452.599 4.848 20 0 JJADRO CC(C)(C)OC(=O)NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4cccs4)cc3)C2)nn1 ZINC001460197919 1067576779 /nfs/dbraw/zinc/57/67/79/1067576779.db2.gz ODFSZJXPZUCUTL-OAQYLSRUSA-N 1 0 453.612 4.868 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCC(OC3CCCCC3)CC2)c2ccccc2)cc1 ZINC001460205551 1067578523 /nfs/dbraw/zinc/57/85/23/1067578523.db2.gz ZYNFJABPFADKEE-AREMUKBSSA-N 1 0 456.652 4.828 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001460205745 1067578630 /nfs/dbraw/zinc/57/86/30/1067578630.db2.gz AUHYZLNZHRCXCF-BHIFYINESA-N 1 0 477.621 4.908 20 0 JJADRO C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460206503 1067578994 /nfs/dbraw/zinc/57/89/94/1067578994.db2.gz SHNBTDXPWIJORQ-FYYLOGMGSA-N 1 0 451.611 4.703 20 0 JJADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001460217153 1067581662 /nfs/dbraw/zinc/58/16/62/1067581662.db2.gz XPKPXNFCKAXOGO-NFBKMPQASA-N 1 0 458.647 4.583 20 0 JJADRO CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCCCC2)CCS1 ZINC001546114764 1067582192 /nfs/dbraw/zinc/58/21/92/1067582192.db2.gz FPMSJNYYDMVDFN-GJZUVCINSA-N 1 0 493.762 4.553 20 0 JJADRO CCC1(CC)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCCCC2)CCS1 ZINC001546114763 1067582195 /nfs/dbraw/zinc/58/21/95/1067582195.db2.gz FPMSJNYYDMVDFN-BKMJKUGQSA-N 1 0 493.762 4.553 20 0 JJADRO COc1cccc([C@H]2C[C@H]([N@H+](C)C[C@H](O)COc3ccc(Cl)cc3Br)C2)c1 ZINC001460230416 1067585092 /nfs/dbraw/zinc/58/50/92/1067585092.db2.gz MBSUYNCBWWYBBQ-SZMVWBNQSA-N 1 0 454.792 4.729 20 0 JJADRO O=C(C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)N[C@H](c1ccccc1)C1CCCC1 ZINC001460234505 1067586556 /nfs/dbraw/zinc/58/65/56/1067586556.db2.gz JUMLPNNACQTATL-JBRSBNLGSA-N 1 0 459.556 4.654 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C1 ZINC001460238919 1067588341 /nfs/dbraw/zinc/58/83/41/1067588341.db2.gz JHOYJSMHRYIUBV-IRLDBZIGSA-N 1 0 453.023 4.893 20 0 JJADRO Cc1sc(NC(=O)CN2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1-c1ccc(Cl)cc1 ZINC001460240651 1067589136 /nfs/dbraw/zinc/58/91/36/1067589136.db2.gz MPBFMVJQZRGQOI-QGZVFWFLSA-N 1 0 455.027 4.917 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[N@H+](C)CCOC)CCS1 ZINC001546115046 1067590834 /nfs/dbraw/zinc/59/08/34/1067590834.db2.gz PTOMCHRFGXQMGO-UHFFFAOYSA-N 1 0 491.771 4.966 20 0 JJADRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260981 1067593028 /nfs/dbraw/zinc/59/30/28/1067593028.db2.gz XLIBBJODNADTBE-VQIMIIECSA-N 1 0 456.505 4.524 20 0 JJADRO CN(C)C(=O)c1cccc(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCCCC2)c1 ZINC001460265847 1067593930 /nfs/dbraw/zinc/59/39/30/1067593930.db2.gz OWTXITDZOQDHKI-UHFFFAOYSA-N 1 0 458.400 4.539 20 0 JJADRO COc1ccccc1C1([NH2+]CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC001460283217 1067597869 /nfs/dbraw/zinc/59/78/69/1067597869.db2.gz OBFNGCHTEILBBK-XMMPIXPASA-N 1 0 450.604 4.692 20 0 JJADRO O=C(C[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1)Nc1ccc(Br)cc1Cl ZINC001460297376 1067600867 /nfs/dbraw/zinc/60/08/67/1067600867.db2.gz WTJMPAVOEVXVHA-FQEVSTJZSA-N 1 0 451.792 4.704 20 0 JJADRO CCN(C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)[C@H](C)c1ccc(F)cc1 ZINC001460300143 1067601766 /nfs/dbraw/zinc/60/17/66/1067601766.db2.gz DBEGRIPLXIUOQI-VEXUSMLFSA-N 1 0 454.586 4.793 20 0 JJADRO CCN(C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001460300147 1067601835 /nfs/dbraw/zinc/60/18/35/1067601835.db2.gz DBEGRIPLXIUOQI-WDJPJFJCSA-N 1 0 454.586 4.793 20 0 JJADRO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460313794 1067605425 /nfs/dbraw/zinc/60/54/25/1067605425.db2.gz NGRZIEUYGYOWTH-CQSZACIVSA-N 1 0 452.448 4.958 20 0 JJADRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001460325016 1067608539 /nfs/dbraw/zinc/60/85/39/1067608539.db2.gz FOLIYTIPTJAPHK-OFAXGOBFSA-N 1 0 451.611 4.886 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC001460327153 1067608777 /nfs/dbraw/zinc/60/87/77/1067608777.db2.gz UKXXGIUDXWICOS-OCBXDECUSA-N 1 0 479.640 4.788 20 0 JJADRO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@H](c2ccccc2C)C2CCC(C)CC2)c1 ZINC001460335289 1067610541 /nfs/dbraw/zinc/61/05/41/1067610541.db2.gz HDTIXSXFGOIQNA-GASOQUEOSA-N 1 0 451.611 4.558 20 0 JJADRO Brc1ccc(OCCCCN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001460337500 1067610893 /nfs/dbraw/zinc/61/08/93/1067610893.db2.gz LMQILSDBFQWIOU-ZEQRLZLVSA-N 1 0 459.428 4.583 20 0 JJADRO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC001460336225 1067610949 /nfs/dbraw/zinc/61/09/49/1067610949.db2.gz MZAHDNQOMVZCBU-UHFFFAOYSA-N 1 0 455.599 4.509 20 0 JJADRO Brc1ccc(OCCCCN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001460337497 1067610976 /nfs/dbraw/zinc/61/09/76/1067610976.db2.gz LMQILSDBFQWIOU-RPWUZVMVSA-N 1 0 459.428 4.583 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460340473 1067611498 /nfs/dbraw/zinc/61/14/98/1067611498.db2.gz TWHVFCUCLUAEJP-CVDCTZTESA-N 1 0 455.599 4.725 20 0 JJADRO O=C(CN1CCCC[C@@H]1Cc1ccccc1F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460356182 1067616348 /nfs/dbraw/zinc/61/63/48/1067616348.db2.gz KTEIWQAZNQGKCR-PXDATVDWSA-N 1 0 458.021 4.829 20 0 JJADRO C[C@@H](Oc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)cc1)c1ccccc1 ZINC001460356856 1067616837 /nfs/dbraw/zinc/61/68/37/1067616837.db2.gz RWUMKSZJGQEJKU-XZOQPEGZSA-N 1 0 458.606 4.611 20 0 JJADRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)c(OC)c1 ZINC001460373434 1067620894 /nfs/dbraw/zinc/62/08/94/1067620894.db2.gz PFDYVCLEODOYBV-QFIPXVFZSA-N 1 0 452.473 4.638 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]Cc2ccnc(Br)c2)C1 ZINC001460387152 1067623772 /nfs/dbraw/zinc/62/37/72/1067623772.db2.gz AKTRKHSHKWSHSH-RTBURBONSA-N 1 0 464.379 4.866 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@H]2CCC(C)(C)CO2)cc1F ZINC001460388374 1067624240 /nfs/dbraw/zinc/62/42/40/1067624240.db2.gz GCSWPCFXCCQKQB-DYXWJJEUSA-N 1 0 450.595 4.722 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)cc1 ZINC001460392970 1067625249 /nfs/dbraw/zinc/62/52/49/1067625249.db2.gz UVAIRKJQEVPCMO-KMAVCZJNSA-N 1 0 454.611 4.542 20 0 JJADRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@H](O)[C@H](C)c2ccccc2)cc1 ZINC001460392980 1067625361 /nfs/dbraw/zinc/62/53/61/1067625361.db2.gz UVAIRKJQEVPCMO-RYCFVGSHSA-N 1 0 454.611 4.542 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC001460393782 1067625727 /nfs/dbraw/zinc/62/57/27/1067625727.db2.gz XCJJUGGCDOBBQK-STZQEDGTSA-N 1 0 450.501 4.520 20 0 JJADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(=O)Nc1cccc(F)c1 ZINC001460404809 1067627776 /nfs/dbraw/zinc/62/77/76/1067627776.db2.gz GQSLTDOIIIQFNE-NPFVIJTESA-N 1 0 459.537 4.675 20 0 JJADRO C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC001460406268 1067628898 /nfs/dbraw/zinc/62/88/98/1067628898.db2.gz CVRNCXKWHSQWOB-GHTZIAJQSA-N 1 0 451.449 4.910 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCS1 ZINC001546116070 1067629133 /nfs/dbraw/zinc/62/91/33/1067629133.db2.gz GKNVPBMJMSKCLR-JOCHJYFZSA-N 1 0 468.646 4.894 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cccnc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCS1 ZINC001546116084 1067629682 /nfs/dbraw/zinc/62/96/82/1067629682.db2.gz GUFSAZYGYCUAKR-OYRHEFFESA-N 1 0 456.704 4.820 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001460412054 1067630246 /nfs/dbraw/zinc/63/02/46/1067630246.db2.gz UDVKJFKSKRAXMH-DNVJHFABSA-N 1 0 478.555 4.992 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC001546116199 1067632123 /nfs/dbraw/zinc/63/21/23/1067632123.db2.gz LFLOFSZRQWJKAB-NRFANRHFSA-N 1 0 488.105 4.747 20 0 JJADRO C[C@@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(Cl)cc1Cl ZINC001460478680 1067641746 /nfs/dbraw/zinc/64/17/46/1067641746.db2.gz BJVBGRDQYOVQGG-KDOFPFPSSA-N 1 0 456.414 4.692 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(CC[N@H+](Cc2ccc(Br)cc2)C(C)(C)C)CC1 ZINC001460483168 1067643197 /nfs/dbraw/zinc/64/31/97/1067643197.db2.gz RLNFAJMDOFJUDY-UHFFFAOYSA-N 1 0 454.453 4.602 20 0 JJADRO O=C(CC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1)NCc1ccccc1Cl ZINC001460491066 1067644855 /nfs/dbraw/zinc/64/48/55/1067644855.db2.gz OVXLBLFUBHOFLI-GOSISDBHSA-N 1 0 453.833 4.975 20 0 JJADRO COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C[C@@H]1C ZINC001460528280 1067651225 /nfs/dbraw/zinc/65/12/25/1067651225.db2.gz XBNRVDWOKBRRKM-MGPUTAFESA-N 1 0 477.424 4.670 20 0 JJADRO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001460538511 1067653196 /nfs/dbraw/zinc/65/31/96/1067653196.db2.gz NIXSDIVLIZXMDG-QAPCUYQASA-N 1 0 452.348 4.615 20 0 JJADRO COc1ccc([C@H]2CC[N@@H+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570471 1067658116 /nfs/dbraw/zinc/65/81/16/1067658116.db2.gz OUBUQMNZOGOGHV-RXVVDRJESA-N 1 0 450.476 4.834 20 0 JJADRO CCC1(CC)CN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCS1 ZINC001546117397 1067659102 /nfs/dbraw/zinc/65/91/02/1067659102.db2.gz FGWKCOPTHGGVPC-NJDAHSKKSA-N 1 0 463.736 4.651 20 0 JJADRO CN(C)C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599027 1067666003 /nfs/dbraw/zinc/66/60/03/1067666003.db2.gz WTQULFHYPMIUHB-BEFAXECRSA-N 1 0 452.209 4.932 20 0 JJADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)CC1 ZINC001460616389 1067674206 /nfs/dbraw/zinc/67/42/06/1067674206.db2.gz JTFZQSCBEOXJSE-UHFFFAOYSA-N 1 0 452.064 4.511 20 0 JJADRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)c(OC)c1 ZINC001460643721 1067683702 /nfs/dbraw/zinc/68/37/02/1067683702.db2.gz IBJGUMPNYOATIJ-QFIPXVFZSA-N 1 0 454.464 4.897 20 0 JJADRO CCC1(CC)CN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+](C)C(C)C)CCS1 ZINC001546117921 1067686194 /nfs/dbraw/zinc/68/61/94/1067686194.db2.gz SQQSILFRYJUYAH-UHFFFAOYSA-N 1 0 465.658 4.989 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)C1 ZINC001460664163 1067692480 /nfs/dbraw/zinc/69/24/80/1067692480.db2.gz GQYSEZGLZQAOII-NJYVYQBISA-N 1 0 451.652 4.745 20 0 JJADRO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001460671828 1067694941 /nfs/dbraw/zinc/69/49/41/1067694941.db2.gz SKALHFVAQBISNS-ZJSXRUAMSA-N 1 0 458.046 4.552 20 0 JJADRO CC(C)CN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CC[NH+](C)CC1 ZINC001460671325 1067694967 /nfs/dbraw/zinc/69/49/67/1067694967.db2.gz AOZJPVJXCHFCKY-DEOSSOPVSA-N 1 0 456.030 4.780 20 0 JJADRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC001460688066 1067701888 /nfs/dbraw/zinc/70/18/88/1067701888.db2.gz QNDFFBPAVWVVRF-UHFFFAOYSA-N 1 0 455.917 4.831 20 0 JJADRO Cc1ccc(-c2cc(NC(=O)CN(C)CCCC[NH+]3CCCCC3)n(-c3ccccc3)n2)cc1 ZINC001460694066 1067703325 /nfs/dbraw/zinc/70/33/25/1067703325.db2.gz UFUFTYSYUOYNMN-UHFFFAOYSA-N 1 0 459.638 4.984 20 0 JJADRO O=C(C[N@@H+]1CCCC[C@H](C2CCOCC2)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460692893 1067703374 /nfs/dbraw/zinc/70/33/74/1067703374.db2.gz PJRWLSXXYXXPGY-FQEVSTJZSA-N 1 0 453.558 4.545 20 0 JJADRO Cc1ccc([C@@H]2CC[N@H+](CC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697455 1067703822 /nfs/dbraw/zinc/70/38/22/1067703822.db2.gz OZUKFHUQKZHWMT-RXVVDRJESA-N 1 0 459.512 4.869 20 0 JJADRO CCOC(=O)c1csc(CC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)n1 ZINC001460702081 1067704327 /nfs/dbraw/zinc/70/43/27/1067704327.db2.gz AGJCTBTVBFFLJE-UHFFFAOYSA-N 1 0 451.592 4.749 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC001460713005 1067706725 /nfs/dbraw/zinc/70/67/25/1067706725.db2.gz ZISLAPAZQYFEFZ-NZQKXSOJSA-N 1 0 457.640 4.723 20 0 JJADRO C[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(=O)Nc1ccc(Br)cc1 ZINC001460747557 1067714895 /nfs/dbraw/zinc/71/48/95/1067714895.db2.gz JNBNFUZQOGPBGV-MEDUHNTESA-N 1 0 454.162 4.652 20 0 JJADRO COc1ccc(NC(=O)CC[N@H+]2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)cc1Cl ZINC001460748324 1067715183 /nfs/dbraw/zinc/71/51/83/1067715183.db2.gz DEHBHDXOCCZEBX-NYVOZVTQSA-N 1 0 456.970 4.664 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750840 1067715456 /nfs/dbraw/zinc/71/54/56/1067715456.db2.gz WVLZGCRETKRQAV-REWPJTCUSA-N 1 0 453.631 4.953 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750837 1067715556 /nfs/dbraw/zinc/71/55/56/1067715556.db2.gz WVLZGCRETKRQAV-NZQKXSOJSA-N 1 0 453.631 4.953 20 0 JJADRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C[C@H]1C1CC1 ZINC001460751736 1067716070 /nfs/dbraw/zinc/71/60/70/1067716070.db2.gz USQPJCLBWYCHAT-MRUHUIDDSA-N 1 0 458.824 4.610 20 0 JJADRO Cn1c2ccccc2cc(C[N@H+](CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)c1=O ZINC001460759072 1067718031 /nfs/dbraw/zinc/71/80/31/1067718031.db2.gz IVVRPWZJRYFPCY-UHFFFAOYSA-N 1 0 455.986 4.719 20 0 JJADRO OC[C@@]1([NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)CCCN(Cc2ccccc2)C1 ZINC001460758578 1067718222 /nfs/dbraw/zinc/71/82/22/1067718222.db2.gz SNNKKDIDTSAVRF-HHHXNRCGSA-N 1 0 452.545 4.661 20 0 JJADRO C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778770 1067721609 /nfs/dbraw/zinc/72/16/09/1067721609.db2.gz PIFJLGYSXBIXRR-OSPHWJPCSA-N 1 0 458.628 4.736 20 0 JJADRO Cc1cc(Cl)c(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Br ZINC001460780858 1067722544 /nfs/dbraw/zinc/72/25/44/1067722544.db2.gz DZICGSISHGPRER-JKSUJKDBSA-N 1 0 453.812 4.597 20 0 JJADRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C(=O)Nc1ccc(Br)cc1Br ZINC001460789679 1067724042 /nfs/dbraw/zinc/72/40/42/1067724042.db2.gz CWLNMHPIXXAAOD-QLJPJBMISA-N 1 0 456.153 4.955 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460822400 1067729474 /nfs/dbraw/zinc/72/94/74/1067729474.db2.gz SXJWJNICGIKGSQ-XMSQKQJNSA-N 1 0 459.414 4.599 20 0 JJADRO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCS1 ZINC001546119448 1067733075 /nfs/dbraw/zinc/73/30/75/1067733075.db2.gz CWAFTUICZINYJS-NBGIEHNGSA-N 1 0 487.762 4.762 20 0 JJADRO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCS1 ZINC001546119527 1067733876 /nfs/dbraw/zinc/73/38/76/1067733876.db2.gz GGXGSWGTRBWCHW-HXUWFJFHSA-N 1 0 487.762 4.762 20 0 JJADRO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001460878918 1067740836 /nfs/dbraw/zinc/74/08/36/1067740836.db2.gz HQQJGBBCZMEFGO-SPYBWZPUSA-N 1 0 456.414 4.581 20 0 JJADRO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC001460889573 1067743886 /nfs/dbraw/zinc/74/38/86/1067743886.db2.gz SZTUEISYUOOTHT-XUFREYRYSA-N 1 0 451.611 4.594 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]12C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]1CCCC2 ZINC001460978766 1067755575 /nfs/dbraw/zinc/75/55/75/1067755575.db2.gz VNWPFBSNMWDKGM-CJFMBICVSA-N 1 0 451.652 4.650 20 0 JJADRO COC(=O)C=Cc1ccc(OCC[N@@H+]2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)cc1 ZINC001460983365 1067756746 /nfs/dbraw/zinc/75/67/46/1067756746.db2.gz ZPLAPEZUOCRICF-JLHYYAGUSA-N 1 0 452.551 4.657 20 0 JJADRO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H]3[C@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C3(C)C)C2=O)c1 ZINC001460983126 1067756845 /nfs/dbraw/zinc/75/68/45/1067756845.db2.gz UDJVUDYLIVJDLE-HGIWEUDGSA-N 1 0 459.606 4.643 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]CCCC3CCN(C(=O)OC(C)(C)C)CC3)CCC[C@@H]12 ZINC001460988690 1067758130 /nfs/dbraw/zinc/75/81/30/1067758130.db2.gz VDWKFGYQCGNMKH-NLFFAJNJSA-N 1 0 451.652 4.935 20 0 JJADRO CN1CCN([C@H](C[NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)c2cccs2)CC1 ZINC001461003480 1067761066 /nfs/dbraw/zinc/76/10/66/1067761066.db2.gz OVBUMAAEUJIFHX-XMMPIXPASA-N 1 0 457.590 4.684 20 0 JJADRO CCOc1c(Br)cc(C[NH2+]C[C@@H]2COc3ccccc3C2)cc1Br ZINC001461005998 1067761260 /nfs/dbraw/zinc/76/12/60/1067761260.db2.gz PUKOVEXOELBPMR-CQSZACIVSA-N 1 0 455.190 4.951 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Br)s3)o2)C1 ZINC001461012036 1067761904 /nfs/dbraw/zinc/76/19/04/1067761904.db2.gz OBSYGTBGHQJIEM-AWEZNQCLSA-N 1 0 455.418 4.952 20 0 JJADRO O=C1CCCN1Cc1ccccc1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC001461030652 1067765510 /nfs/dbraw/zinc/76/55/10/1067765510.db2.gz PTAVSUNTOCQMPA-UHFFFAOYSA-N 1 0 452.190 4.624 20 0 JJADRO CC[C@H](C[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)N1CCc2ccccc2C1 ZINC001461039239 1067767650 /nfs/dbraw/zinc/76/76/50/1067767650.db2.gz PJLZKXMYYKKFGA-JOCHJYFZSA-N 1 0 455.668 4.968 20 0 JJADRO CC1CCN(c2ccc(C[NH2+]C3CCN(Cc4ccccc4Br)CC3)cn2)CC1 ZINC001461052191 1067770334 /nfs/dbraw/zinc/77/03/34/1067770334.db2.gz CQFMAXSKZOYHKU-UHFFFAOYSA-N 1 0 457.460 4.835 20 0 JJADRO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]CCCS(=O)(=O)Cc3ccccc3)n2c1 ZINC001461054441 1067771105 /nfs/dbraw/zinc/77/11/05/1067771105.db2.gz XOYXLCZCMBTYKM-UHFFFAOYSA-N 1 0 451.567 4.544 20 0 JJADRO O=C(c1ccc(OC(F)(F)F)cc1C(F)(F)F)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001461055746 1067771394 /nfs/dbraw/zinc/77/13/94/1067771394.db2.gz YBGJYZAEHDCXLF-BEFAXECRSA-N 1 0 458.402 4.951 20 0 JJADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1Cl)NC(=O)OC(C)(C)C ZINC001461065471 1067774608 /nfs/dbraw/zinc/77/46/08/1067774608.db2.gz HJDJTPANKNYELY-QGZVFWFLSA-N 1 0 450.963 4.721 20 0 JJADRO CCC(CC)C(=O)N1CCC([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC001461067379 1067774949 /nfs/dbraw/zinc/77/49/49/1067774949.db2.gz OMYVAPGQJNPVNI-UHFFFAOYSA-N 1 0 451.327 4.865 20 0 JJADRO CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2CCC[NH+]2CCCC2)CCS1 ZINC001546121395 1067776322 /nfs/dbraw/zinc/77/63/22/1067776322.db2.gz WFWWCXCBKLPVBL-UHFFFAOYSA-N 1 0 457.688 4.763 20 0 JJADRO C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)Cn1cccn1 ZINC001461078230 1067777341 /nfs/dbraw/zinc/77/73/41/1067777341.db2.gz KWLZHLVJRDNBMX-GOSISDBHSA-N 1 0 450.384 4.924 20 0 JJADRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(C)c(OCc3ccccc3C)c(C)c2)cc1 ZINC001461090857 1067780161 /nfs/dbraw/zinc/78/01/61/1067780161.db2.gz MYQOKZPMWDEBLG-UHFFFAOYSA-N 1 0 452.620 4.530 20 0 JJADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001461094030 1067780917 /nfs/dbraw/zinc/78/09/17/1067780917.db2.gz CYCCEGKIWDCFOW-GOSISDBHSA-N 1 0 458.027 4.910 20 0 JJADRO Fc1cccc(C[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)c1I ZINC001461106047 1067782749 /nfs/dbraw/zinc/78/27/49/1067782749.db2.gz LPBDQGBQHHMGQT-UHFFFAOYSA-N 1 0 459.730 4.922 20 0 JJADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001461110180 1067783784 /nfs/dbraw/zinc/78/37/84/1067783784.db2.gz CDWQYEADTVIOSO-QUCCMNQESA-N 1 0 456.583 4.677 20 0 JJADRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001461110178 1067783812 /nfs/dbraw/zinc/78/38/12/1067783812.db2.gz CDWQYEADTVIOSO-ICSRJNTNSA-N 1 0 456.583 4.677 20 0 JJADRO CC(C)N(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461115350 1067784584 /nfs/dbraw/zinc/78/45/84/1067784584.db2.gz OKDGYVIGNGIAQJ-QHCPKHFHSA-N 1 0 450.558 4.710 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]C[C@H](O)c3ccccc3C(F)(F)F)cc2C1 ZINC001461119329 1067784802 /nfs/dbraw/zinc/78/48/02/1067784802.db2.gz FJCUWTADUWEKCR-SFHVURJKSA-N 1 0 456.530 4.883 20 0 JJADRO Fc1cccc(C[C@H]([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)c2cccc(F)c2)c1 ZINC001461119932 1067785213 /nfs/dbraw/zinc/78/52/13/1067785213.db2.gz ITEKMQGLDWILDV-MHZLTWQESA-N 1 0 452.545 4.749 20 0 JJADRO C[C@]1(c2ccc(C[NH2+]Cc3ccccc3Oc3ccc(F)c(Cl)c3)cc2)NC(=O)NC1=O ZINC001461133544 1067787395 /nfs/dbraw/zinc/78/73/95/1067787395.db2.gz LVRNHUBDDQPELP-XMMPIXPASA-N 1 0 453.901 4.616 20 0 JJADRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001461142218 1067788180 /nfs/dbraw/zinc/78/81/80/1067788180.db2.gz RGMPGTFSTHAKIP-OAHLLOKOSA-N 1 0 459.306 4.972 20 0 JJADRO CC[C@H](C)[C@H]([NH2+]Cc1cncc(Br)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146334 1067789148 /nfs/dbraw/zinc/78/91/48/1067789148.db2.gz CQWLLEICBNJCHE-AOMKIAJQSA-N 1 0 459.432 4.896 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC001461158755 1067791107 /nfs/dbraw/zinc/79/11/07/1067791107.db2.gz DCCJWASAAQNYFF-YADHBBJMSA-N 1 0 458.002 4.800 20 0 JJADRO Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001461177625 1067793079 /nfs/dbraw/zinc/79/30/79/1067793079.db2.gz KRKPKMLRCSHDFY-DEOSSOPVSA-N 1 0 456.993 4.915 20 0 JJADRO CSc1nnc(CCC[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)n1CC(C)C ZINC001461204447 1067798970 /nfs/dbraw/zinc/79/89/70/1067798970.db2.gz URPDQNIDVMUBTN-UHFFFAOYSA-N 1 0 459.660 4.676 20 0 JJADRO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC001461205617 1067798978 /nfs/dbraw/zinc/79/89/78/1067798978.db2.gz XPFNVASNQOIZES-INIZCTEOSA-N 1 0 450.396 4.590 20 0 JJADRO O=C(C1CCC1)N(CCC[NH2+]Cc1c(F)ccc(C(F)(F)F)c1Br)C1CC1 ZINC001461206122 1067799267 /nfs/dbraw/zinc/79/92/67/1067799267.db2.gz JFSNHMBXLWGOIR-UHFFFAOYSA-N 1 0 451.302 4.878 20 0 JJADRO O=C(NCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1)c1c(F)cccc1F ZINC001461210265 1067800084 /nfs/dbraw/zinc/80/00/84/1067800084.db2.gz ATDNAUGWZRWJHG-UHFFFAOYSA-N 1 0 451.336 4.975 20 0 JJADRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(I)c(OC)c(OC)c2)C12CCCCC2 ZINC001461215017 1067800601 /nfs/dbraw/zinc/80/06/01/1067800601.db2.gz OENQWZQNMVSRBN-ROUUACIJSA-N 1 0 459.368 4.526 20 0 JJADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001461216928 1067801701 /nfs/dbraw/zinc/80/17/01/1067801701.db2.gz LPDNGWPJUDDDER-TZIWHRDSSA-N 1 0 450.558 4.849 20 0 JJADRO CS(=O)(=O)CCOCC[NH2+]Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl ZINC001461219684 1067802012 /nfs/dbraw/zinc/80/20/12/1067802012.db2.gz BONOVYIZFYZWQO-UHFFFAOYSA-N 1 0 452.787 4.590 20 0 JJADRO CCOc1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC001461220184 1067802074 /nfs/dbraw/zinc/80/20/74/1067802074.db2.gz YIZMBNGSHWXOBN-XMMPIXPASA-N 1 0 459.590 4.861 20 0 JJADRO O=C(CCC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)N1Cc2ccccc2C1 ZINC001461219723 1067802186 /nfs/dbraw/zinc/80/21/86/1067802186.db2.gz OCMWBRKVEABNEM-UHFFFAOYSA-N 1 0 457.290 4.760 20 0 JJADRO Brc1ccc(OCc2ccccc2)c(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001461226331 1067804467 /nfs/dbraw/zinc/80/44/67/1067804467.db2.gz YAPAWSWMERVJSA-FQEVSTJZSA-N 1 0 459.428 4.619 20 0 JJADRO Brc1ccc(OCc2ccccc2)c(CNC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC001461226333 1067804507 /nfs/dbraw/zinc/80/45/07/1067804507.db2.gz YAPAWSWMERVJSA-HXUWFJFHSA-N 1 0 459.428 4.619 20 0 JJADRO CCc1cc(Oc2ccc(F)cc2C[NH2+]CCNc2cc(C)nc3ncnn32)ccc1Cl ZINC001461231869 1067805420 /nfs/dbraw/zinc/80/54/20/1067805420.db2.gz LYUHDBMFQNZGSD-UHFFFAOYSA-N 1 0 454.937 4.782 20 0 JJADRO CC(C)[C@@H](O)C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC001461233775 1067805847 /nfs/dbraw/zinc/80/58/47/1067805847.db2.gz UYAAIUQNZVMGAX-SFHVURJKSA-N 1 0 457.206 4.897 20 0 JJADRO CCCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001461234055 1067806068 /nfs/dbraw/zinc/80/60/68/1067806068.db2.gz QIMGNSCUIPXHIG-OAQYLSRUSA-N 1 0 455.649 4.708 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]CCNc3ncc(Cl)cc3Cl)cccc2C1 ZINC001461235861 1067806541 /nfs/dbraw/zinc/80/65/41/1067806541.db2.gz RYJWHUTVUGETNR-UHFFFAOYSA-N 1 0 451.398 4.883 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001461240953 1067808004 /nfs/dbraw/zinc/80/80/04/1067808004.db2.gz XZOQNOSBLWJBSS-RNODOKPDSA-N 1 0 452.755 4.947 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]CCc3nc(C(F)(F)F)cs3)o2)C1 ZINC001461249986 1067809994 /nfs/dbraw/zinc/80/99/94/1067809994.db2.gz BXWJHQFFNQYAIR-AWEZNQCLSA-N 1 0 459.534 4.645 20 0 JJADRO COc1cc(C[NH2+]Cc2cc(Br)cc(Br)c2N)c2ccccc2n1 ZINC001461256230 1067811432 /nfs/dbraw/zinc/81/14/32/1067811432.db2.gz YALZXEOOPWXBFZ-UHFFFAOYSA-N 1 0 451.162 4.640 20 0 JJADRO CC(C)(C)OC(=O)NC1CCC([NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001461257260 1067812017 /nfs/dbraw/zinc/81/20/17/1067812017.db2.gz XGTKVQSHHBCISE-YDPRHXJPSA-N 1 0 458.624 4.605 20 0 JJADRO CC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@@H](O)c1c(F)cccc1F ZINC001461258089 1067812452 /nfs/dbraw/zinc/81/24/52/1067812452.db2.gz PLBSMQUBWXDDJA-GHTZIAJQSA-N 1 0 450.327 4.823 20 0 JJADRO CCCOc1c(Br)cc(Br)cc1C[NH2+]CCCNc1ccccn1 ZINC001461262465 1067813284 /nfs/dbraw/zinc/81/32/84/1067813284.db2.gz LJGVDTIINHBXNS-UHFFFAOYSA-N 1 0 457.210 4.987 20 0 JJADRO C[C@@H]1C[C@H](NCc2c(F)ccc(I)c2F)CC[N@@H+]1Cc1ccccc1 ZINC001461262401 1067813415 /nfs/dbraw/zinc/81/34/15/1067813415.db2.gz GZUUZYHNIHAHJJ-GDBMZVCRSA-N 1 0 456.318 4.712 20 0 JJADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC001461262719 1067813634 /nfs/dbraw/zinc/81/36/34/1067813634.db2.gz HLLFPWARIHXMLN-UHFFFAOYSA-N 1 0 454.880 4.681 20 0 JJADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001461266575 1067814138 /nfs/dbraw/zinc/81/41/38/1067814138.db2.gz ZEFSUHJDKKQIMP-FDDCHVKYSA-N 1 0 450.583 4.876 20 0 JJADRO CC[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461284295 1067817504 /nfs/dbraw/zinc/81/75/04/1067817504.db2.gz IHNPAWLAFMYXRA-PKTZIBPZSA-N 1 0 454.412 4.767 20 0 JJADRO CC[C@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461284292 1067817703 /nfs/dbraw/zinc/81/77/03/1067817703.db2.gz IHNPAWLAFMYXRA-GOTSBHOMSA-N 1 0 454.412 4.767 20 0 JJADRO CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001461298276 1067821628 /nfs/dbraw/zinc/82/16/28/1067821628.db2.gz YNSODPOJXIECMK-UHFFFAOYSA-N 1 0 450.048 4.524 20 0 JJADRO CCCOc1c(Cl)cc(CNc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)cc1OC ZINC001461310048 1067825420 /nfs/dbraw/zinc/82/54/20/1067825420.db2.gz XUYKGQANHWQHCA-UHFFFAOYSA-N 1 0 458.990 4.501 20 0 JJADRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461316813 1067826977 /nfs/dbraw/zinc/82/69/77/1067826977.db2.gz JZYXWMMOVOBVPB-IDISGSTGSA-N 1 0 454.655 4.997 20 0 JJADRO OC[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1)Cc1ccc(OC(F)(F)F)cc1 ZINC001461329674 1067830381 /nfs/dbraw/zinc/83/03/81/1067830381.db2.gz ANYKNEBEHCOCKD-CQSZACIVSA-N 1 0 452.698 4.942 20 0 JJADRO COCO[C@@H](C)c1cc(F)c(CNc2cc(C[NH+](C)C)ccc2OC)cc1Br ZINC001461334220 1067830835 /nfs/dbraw/zinc/83/08/35/1067830835.db2.gz YUSRIRPSKXFYJE-AWEZNQCLSA-N 1 0 455.368 4.952 20 0 JJADRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)c1 ZINC001461337029 1067832444 /nfs/dbraw/zinc/83/24/44/1067832444.db2.gz VDKKASAVAVNEFP-QFIPXVFZSA-N 1 0 453.627 4.541 20 0 JJADRO COc1cc(C[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)cc(Br)c1O ZINC001461340959 1067833668 /nfs/dbraw/zinc/83/36/68/1067833668.db2.gz UHYSGVABGZKFIB-OAQYLSRUSA-N 1 0 458.352 4.566 20 0 JJADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3ccnc4c(Br)cccc34)C2)c1 ZINC001461342727 1067834277 /nfs/dbraw/zinc/83/42/77/1067834277.db2.gz DRSPSTRLOXMRNG-INIZCTEOSA-N 1 0 456.384 4.631 20 0 JJADRO COCc1c(C)cc(C)c(C[NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1C ZINC001461342550 1067834421 /nfs/dbraw/zinc/83/44/21/1067834421.db2.gz DBKYDHWOJONCEQ-UHFFFAOYSA-N 1 0 456.583 4.988 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)CC(F)F ZINC001461349994 1067835838 /nfs/dbraw/zinc/83/58/38/1067835838.db2.gz IGGPZFSYPWHCRD-IBGZPJMESA-N 1 0 451.489 4.716 20 0 JJADRO FC(F)(F)c1cccnc1OCC[NH2+]Cc1cc(Cl)ccc1I ZINC001461351354 1067836303 /nfs/dbraw/zinc/83/63/03/1067836303.db2.gz BMCYDCFXDALRNA-UHFFFAOYSA-N 1 0 456.633 4.527 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc(Cl)c1OCC(N)=O ZINC001461354209 1067836708 /nfs/dbraw/zinc/83/67/08/1067836708.db2.gz LVZRXLPDUFWURD-CRAIPNDOSA-N 1 0 456.892 4.657 20 0 JJADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2Oc2cc(Cl)ccc2C)s1 ZINC001461373111 1067840530 /nfs/dbraw/zinc/84/05/30/1067840530.db2.gz MWYKUUVTESVMNQ-UHFFFAOYSA-N 1 0 451.013 4.879 20 0 JJADRO COc1cc(Br)ccc1CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC001461379533 1067842212 /nfs/dbraw/zinc/84/22/12/1067842212.db2.gz VCKICQIVEZYMAH-UHFFFAOYSA-N 1 0 453.178 4.590 20 0 JJADRO Cc1cccc(COc2c(C)cc(C[NH2+]C3CCN(S(=O)(=O)CC(C)C)CC3)cc2C)c1 ZINC001461396765 1067845788 /nfs/dbraw/zinc/84/57/88/1067845788.db2.gz CDFNSENCFPHPDL-UHFFFAOYSA-N 1 0 458.668 4.731 20 0 JJADRO CC(C)[NH+]1CCN(c2cccc(NCc3cnn(-c4ccc(Br)cc4)c3)c2)CC1 ZINC001461407798 1067848307 /nfs/dbraw/zinc/84/83/07/1067848307.db2.gz RAWMRXZUTKIKKM-UHFFFAOYSA-N 1 0 454.416 4.777 20 0 JJADRO COCCN(CC[NH2+]Cc1c(Cl)n(-c2ccccc2)nc1C(C)C)C(=O)OC(C)(C)C ZINC001461413801 1067850125 /nfs/dbraw/zinc/85/01/25/1067850125.db2.gz PNGNBJNXFLLRNF-UHFFFAOYSA-N 1 0 451.011 4.622 20 0 JJADRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3C)C2=O)ccc1Br ZINC001461420496 1067852093 /nfs/dbraw/zinc/85/20/93/1067852093.db2.gz OWXUPZZWTHFKBO-GOSISDBHSA-N 1 0 452.190 4.724 20 0 JJADRO Cc1noc(C[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nc2C)c2ccccc2)n1 ZINC001461430865 1067854415 /nfs/dbraw/zinc/85/44/15/1067854415.db2.gz BIDSHISQDMDFKG-HXUWFJFHSA-N 1 0 452.356 4.708 20 0 JJADRO Brc1ccc(-c2c[nH]c(C[NH2+]C[C@H]3CSCCN3Cc3ccccc3)n2)cc1 ZINC001461430396 1067854511 /nfs/dbraw/zinc/85/45/11/1067854511.db2.gz ALOCOWRUYKCDMQ-FQEVSTJZSA-N 1 0 457.441 4.546 20 0 JJADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CO)Cc2ccccc2C)c1 ZINC001461435645 1067855787 /nfs/dbraw/zinc/85/57/87/1067855787.db2.gz QIUXEASMQJSJFL-HSZRJFAPSA-N 1 0 457.574 4.558 20 0 JJADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCc1nn(C)c2ccccc12 ZINC001461440485 1067857213 /nfs/dbraw/zinc/85/72/13/1067857213.db2.gz JIWPKWHATADXLP-UHFFFAOYSA-N 1 0 452.400 4.977 20 0 JJADRO CC1(C)[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1OCc1ccccc1 ZINC001461452277 1067860276 /nfs/dbraw/zinc/86/02/76/1067860276.db2.gz DIIOIUGWNNLBEE-GOTSBHOMSA-N 1 0 459.428 4.759 20 0 JJADRO CCNC(=O)C1(C[NH2+]Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)CCC1 ZINC001461458605 1067861812 /nfs/dbraw/zinc/86/18/12/1067861812.db2.gz BJUHGHMBSRAFAC-UHFFFAOYSA-N 1 0 450.501 4.689 20 0 JJADRO COc1cc(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)ccc1OCc1c(C)noc1C ZINC001461460591 1067862326 /nfs/dbraw/zinc/86/23/26/1067862326.db2.gz FGGLYGBFJASLRO-DEOSSOPVSA-N 1 0 459.546 4.572 20 0 JJADRO COc1ccccc1CCNC(=O)C[NH2+]C1CCC(C)(c2cccc(Br)c2)CC1 ZINC001461462969 1067862688 /nfs/dbraw/zinc/86/26/88/1067862688.db2.gz MPNDFBGVWZPHJL-UHFFFAOYSA-N 1 0 459.428 4.607 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2cccc(C)c2I)CC1)CC(C)C ZINC001546124584 1067863112 /nfs/dbraw/zinc/86/31/12/1067863112.db2.gz AHURWHPIGQVARK-UHFFFAOYSA-N 1 0 456.412 4.820 20 0 JJADRO CCOc1c(Br)cc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1Br ZINC001461465914 1067864028 /nfs/dbraw/zinc/86/40/28/1067864028.db2.gz QACXDJQFCWDKPE-HNNXBMFYSA-N 1 0 455.190 4.963 20 0 JJADRO CC(=O)N(c1nc(CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cs1)c1ccc(F)cc1 ZINC001461469277 1067865287 /nfs/dbraw/zinc/86/52/87/1067865287.db2.gz BGJDBFYYGATYAI-VWLOTQADSA-N 1 0 452.599 4.969 20 0 JJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)o1 ZINC001461472634 1067866387 /nfs/dbraw/zinc/86/63/87/1067866387.db2.gz BSURUDMBNLCAFM-FGZHOGPDSA-N 1 0 455.599 4.644 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]Cc3cccc(OCC(F)(F)F)n3)cc2C1 ZINC001461486146 1067872671 /nfs/dbraw/zinc/87/26/71/1067872671.db2.gz DBRGFAAYDJSKEV-UHFFFAOYSA-N 1 0 457.518 4.667 20 0 JJADRO COc1cc(C[NH2+]C[C@@H]2CCSC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001461487609 1067873149 /nfs/dbraw/zinc/87/31/49/1067873149.db2.gz YURMAYPQZQJNAY-INIZCTEOSA-N 1 0 454.514 4.574 20 0 JJADRO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC001461491791 1067874589 /nfs/dbraw/zinc/87/45/89/1067874589.db2.gz BYYRKBALNXSLJR-UHFFFAOYSA-N 1 0 450.970 4.599 20 0 JJADRO COc1cc(C[NH2+]C[C@H](O)Cc2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC001461492159 1067874839 /nfs/dbraw/zinc/87/48/39/1067874839.db2.gz NNLQMIICTMMLAB-JOCHJYFZSA-N 1 0 456.380 4.730 20 0 JJADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)CCO1 ZINC001461511080 1067879114 /nfs/dbraw/zinc/87/91/14/1067879114.db2.gz RFUHARCIEJAJCF-CVDCTZTESA-N 1 0 456.384 4.772 20 0 JJADRO OC[C@H](C[NH2+]Cc1ccccc1OCc1ccncc1)Cc1ccc(F)c(Br)c1 ZINC001461514770 1067880108 /nfs/dbraw/zinc/88/01/08/1067880108.db2.gz QVJITGNQKPLICN-IBGZPJMESA-N 1 0 459.359 4.503 20 0 JJADRO COC(=O)c1cc(C[NH2+][C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)n2c1CCCC2 ZINC001461539742 1067884181 /nfs/dbraw/zinc/88/41/81/1067884181.db2.gz NCHJLXROUIXZMZ-JOCHJYFZSA-N 1 0 455.599 4.747 20 0 JJADRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC001461537798 1067884390 /nfs/dbraw/zinc/88/43/90/1067884390.db2.gz KREHBZPWGBBAIG-SFHVURJKSA-N 1 0 458.400 4.864 20 0 JJADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC3(C[C@H]1F)OCCO3)CC(C)(C)O2 ZINC001461542553 1067885421 /nfs/dbraw/zinc/88/54/21/1067885421.db2.gz VXTVRZGZFQIPHF-GUDVDZBRSA-N 1 0 450.551 4.859 20 0 JJADRO COc1cc(C[NH2+]CCc2ccc(C)cn2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461557511 1067887503 /nfs/dbraw/zinc/88/75/03/1067887503.db2.gz DPVSZEKFBQXBBS-UHFFFAOYSA-N 1 0 457.933 4.541 20 0 JJADRO CN(C(=O)c1ccc(NCc2c(Cl)n(C)nc2-c2ccccc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001461567074 1067890347 /nfs/dbraw/zinc/89/03/47/1067890347.db2.gz YYDNPSVYEXFZOW-OAQYLSRUSA-N 1 0 452.002 4.519 20 0 JJADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC001461576592 1067892040 /nfs/dbraw/zinc/89/20/40/1067892040.db2.gz MDTYDCZCIKZIIE-CZUORRHYSA-N 1 0 457.880 4.786 20 0 JJADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC001461576601 1067892175 /nfs/dbraw/zinc/89/21/75/1067892175.db2.gz MDTYDCZCIKZIIE-XJKSGUPXSA-N 1 0 457.880 4.786 20 0 JJADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC001461576585 1067892301 /nfs/dbraw/zinc/89/23/01/1067892301.db2.gz MDTYDCZCIKZIIE-CJNGLKHVSA-N 1 0 457.880 4.786 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)ccc1OCc1ccncc1 ZINC001461584670 1067894365 /nfs/dbraw/zinc/89/43/65/1067894365.db2.gz XMYMKDDNVHFHTQ-XZOQPEGZSA-N 1 0 471.523 4.789 20 0 JJADRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001461589282 1067895295 /nfs/dbraw/zinc/89/52/95/1067895295.db2.gz PKBXXPFSJPFMOY-RUCARUNLSA-N 1 0 450.501 4.674 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC001461591099 1067895933 /nfs/dbraw/zinc/89/59/33/1067895933.db2.gz HLAAMZNSYREYMI-NXEZZACHSA-N 1 0 455.290 4.789 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)ccc1OCc1c(C)noc1C ZINC001461593722 1067896320 /nfs/dbraw/zinc/89/63/20/1067896320.db2.gz JXXWCLMFPYHLRV-NHCUHLMSSA-N 1 0 459.587 4.805 20 0 JJADRO Cc1ccc(O[C@H](C)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c(Br)c1 ZINC001461593349 1067896590 /nfs/dbraw/zinc/89/65/90/1067896590.db2.gz AHGXZHKOMQEPHU-DENIHFKCSA-N 1 0 459.428 4.894 20 0 JJADRO CNC(=O)[C@H](C[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1)Cc1ccc(F)cc1C ZINC001461601890 1067899041 /nfs/dbraw/zinc/89/90/41/1067899041.db2.gz SVJXSCXLEKTHEW-SFHVURJKSA-N 1 0 459.924 4.808 20 0 JJADRO CNC(=O)[C@@H](C[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1)Cc1ccc(F)cc1C ZINC001461601889 1067899111 /nfs/dbraw/zinc/89/91/11/1067899111.db2.gz SVJXSCXLEKTHEW-GOSISDBHSA-N 1 0 459.924 4.808 20 0 JJADRO CNC(=O)[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccc(OC)c(F)c1 ZINC001461601770 1067899174 /nfs/dbraw/zinc/89/91/74/1067899174.db2.gz SCGLCHYZWDKTMB-JOCHJYFZSA-N 1 0 459.565 4.532 20 0 JJADRO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461602921 1067899549 /nfs/dbraw/zinc/89/95/49/1067899549.db2.gz JRRMTXXBXUXJTK-CWRNSKLLSA-N 1 0 454.405 4.702 20 0 JJADRO CC[C@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)C(=O)NCc1cccs1 ZINC001461603363 1067899999 /nfs/dbraw/zinc/89/99/99/1067899999.db2.gz AHKIPTQCJUBXLB-KRWDZBQOSA-N 1 0 450.427 4.819 20 0 JJADRO CC[C@H]([NH2+]Cc1cc(I)c(Br)cc1F)[C@@H]1CCCCO1 ZINC001461607611 1067900803 /nfs/dbraw/zinc/90/08/03/1067900803.db2.gz LWFXJEFIWYHCNY-GJZGRUSLSA-N 1 0 456.137 4.630 20 0 JJADRO Cc1cccc(C(=O)N2CCC([NH2+]Cc3ccc(CNC(=O)OC(C)(C)C)cc3F)CC2)c1 ZINC001461617407 1067902492 /nfs/dbraw/zinc/90/24/92/1067902492.db2.gz OAIVMCKBOHOCNN-UHFFFAOYSA-N 1 0 455.574 4.553 20 0 JJADRO COc1cc(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)ccc1OCc1ccncc1 ZINC001461616941 1067902506 /nfs/dbraw/zinc/90/25/06/1067902506.db2.gz HKTHVVKPQIUDER-PKTZIBPZSA-N 1 0 453.583 4.595 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)Cc2ccccc21 ZINC001461617485 1067902619 /nfs/dbraw/zinc/90/26/19/1067902619.db2.gz PITWAFDIMOZZGD-XMMPIXPASA-N 1 0 453.602 4.789 20 0 JJADRO COc1cc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)cc(OC)c1OCC(F)F ZINC001461620889 1067903267 /nfs/dbraw/zinc/90/32/67/1067903267.db2.gz YWNAQWBHZSGURI-HSZRJFAPSA-N 1 0 455.929 4.883 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C12CCC2 ZINC001461621584 1067903356 /nfs/dbraw/zinc/90/33/56/1067903356.db2.gz VPXUIIMOQRFOIF-RTBURBONSA-N 1 0 450.505 4.817 20 0 JJADRO COc1ccc(C[NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)c(Br)c1O ZINC001461622627 1067903736 /nfs/dbraw/zinc/90/37/36/1067903736.db2.gz YYQBJWQXOJZOQD-JOCHJYFZSA-N 1 0 450.373 4.553 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC001461627735 1067904831 /nfs/dbraw/zinc/90/48/31/1067904831.db2.gz ORNBARKLWSRCHA-UBFVSLLYSA-N 1 0 452.595 4.737 20 0 JJADRO Cc1csc(N2CCC([NH2+][C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)CC2)n1 ZINC001461627038 1067904922 /nfs/dbraw/zinc/90/49/22/1067904922.db2.gz LYFDNLDYBAWPPD-FGZHOGPDSA-N 1 0 474.646 4.942 20 0 JJADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1 ZINC001461640618 1067908117 /nfs/dbraw/zinc/90/81/17/1067908117.db2.gz DPPQTRMJSMSLOX-UHFFFAOYSA-N 1 0 451.636 4.744 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)cc2C1 ZINC001461643789 1067908417 /nfs/dbraw/zinc/90/84/17/1067908417.db2.gz OOTYLBUNRPWGEB-FGZHOGPDSA-N 1 0 469.651 4.872 20 0 JJADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c1 ZINC001461657349 1067911635 /nfs/dbraw/zinc/91/16/35/1067911635.db2.gz ZFFZBKAQIAHHME-IBVKSMDESA-N 1 0 457.574 4.811 20 0 JJADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001461668010 1067914228 /nfs/dbraw/zinc/91/42/28/1067914228.db2.gz AIZGSHRCSZIVAO-XMMPIXPASA-N 1 0 450.380 4.871 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001461669643 1067914673 /nfs/dbraw/zinc/91/46/73/1067914673.db2.gz RNDVZPLQASBXKL-UZLBHIALSA-N 1 0 463.420 4.739 20 0 JJADRO Cc1ccc(-c2ncc(CNc3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc[nH+]3)s2)o1 ZINC001461669270 1067914776 /nfs/dbraw/zinc/91/47/76/1067914776.db2.gz ORSWQMMFLJDZEQ-UHFFFAOYSA-N 1 0 455.584 4.776 20 0 JJADRO Cc1cc(C2OCCO2)c(C)cc1C[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001461674604 1067915517 /nfs/dbraw/zinc/91/55/17/1067915517.db2.gz FUDPZWUWQVMGDG-UHFFFAOYSA-N 1 0 452.595 4.932 20 0 JJADRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)CS(N)(=O)=O ZINC001461698045 1067920887 /nfs/dbraw/zinc/92/08/87/1067920887.db2.gz NUUDZUNZEPIIIT-UHFFFAOYSA-N 1 0 451.803 4.843 20 0 JJADRO Cc1ccccc1CN1CCO[C@H](C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC001461699112 1067921223 /nfs/dbraw/zinc/92/12/23/1067921223.db2.gz URBNSKRTJLYNNV-HXUWFJFHSA-N 1 0 457.334 4.767 20 0 JJADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1csc(-c2sccc2Br)n1 ZINC001461702930 1067921993 /nfs/dbraw/zinc/92/19/93/1067921993.db2.gz NTIAVGSGTOALSC-UKRRQHHQSA-N 1 0 456.475 4.898 20 0 JJADRO COC(=O)c1cc(C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)n(C)c1C ZINC001461707075 1067922760 /nfs/dbraw/zinc/92/27/60/1067922760.db2.gz JVYHKXLMPUXBOE-UHFFFAOYSA-N 1 0 457.368 4.751 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CCN(Cc1ccccc1)c1ccccn1)CC(F)(F)F ZINC001461734005 1067927302 /nfs/dbraw/zinc/92/73/02/1067927302.db2.gz BWJDTFHAHNCYCQ-IBGZPJMESA-N 1 0 452.521 4.524 20 0 JJADRO CCCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC001461754809 1067931028 /nfs/dbraw/zinc/93/10/28/1067931028.db2.gz OACOROMBCPQKQB-GCARBXITSA-N 1 0 451.636 4.795 20 0 JJADRO COc1cc(C[NH2+][C@H]2CCS[C@@H](C)C2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461803044 1067939290 /nfs/dbraw/zinc/93/92/90/1067939290.db2.gz XVFYFSJGNYPPPR-HOCLYGCPSA-N 1 0 452.979 4.879 20 0 JJADRO CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+]C1CCN(Cc3c(F)cccc3Cl)CC1)C2 ZINC001461827808 1067942830 /nfs/dbraw/zinc/94/28/30/1067942830.db2.gz ZUFIRPGYQJJRPJ-UHFFFAOYSA-N 1 0 452.014 4.869 20 0 JJADRO Brc1cc(Br)cc(C[NH2+][C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)c1 ZINC001461835437 1067944087 /nfs/dbraw/zinc/94/40/87/1067944087.db2.gz IIPLYQARAKZUAL-IEBWSBKVSA-N 1 0 453.174 4.984 20 0 JJADRO Cc1ccc(C[NH2+]C[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c(-c2ccnn2C)c1 ZINC001461839474 1067944858 /nfs/dbraw/zinc/94/48/58/1067944858.db2.gz SFDLRHFRCGGDTL-FQEVSTJZSA-N 1 0 457.418 4.954 20 0 JJADRO Cc1cc(OCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)ccc1Br ZINC001461855968 1067948078 /nfs/dbraw/zinc/94/80/78/1067948078.db2.gz LVSZXBJHJNGUKU-FQEVSTJZSA-N 1 0 457.412 4.555 20 0 JJADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001461856385 1067948514 /nfs/dbraw/zinc/94/85/14/1067948514.db2.gz OAYVHXFNACFGHJ-UGKGYDQZSA-N 1 0 451.636 4.544 20 0 JJADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001461856378 1067948603 /nfs/dbraw/zinc/94/86/03/1067948603.db2.gz OAYVHXFNACFGHJ-DENIHFKCSA-N 1 0 451.636 4.544 20 0 JJADRO COC(=O)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1Br ZINC001461862066 1067949314 /nfs/dbraw/zinc/94/93/14/1067949314.db2.gz MYBXGDWYZADHOC-NZQKXSOJSA-N 1 0 457.412 4.722 20 0 JJADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC001461874045 1067952144 /nfs/dbraw/zinc/95/21/44/1067952144.db2.gz LFDMVPDKMLBDEB-VXKWHMMOSA-N 1 0 453.608 4.979 20 0 JJADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)CC[C@H]2CCCO2)c1 ZINC001461881529 1067953764 /nfs/dbraw/zinc/95/37/64/1067953764.db2.gz DUTNEIRUJUFCHN-IAGOWNOFSA-N 1 0 458.430 4.597 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001461894313 1067956187 /nfs/dbraw/zinc/95/61/87/1067956187.db2.gz CUVMJVUPNXKWTN-DEOSSOPVSA-N 1 0 450.023 4.525 20 0 JJADRO COc1ccc(OC2CC[NH+](Cc3cn(-c4ccc(Br)cc4)nc3C)CC2)cc1 ZINC001461920176 1067961350 /nfs/dbraw/zinc/96/13/50/1067961350.db2.gz NUMOCGUALHTDOD-UHFFFAOYSA-N 1 0 456.384 4.995 20 0 JJADRO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(-c2cc(F)ccc2F)n1 ZINC001461956481 1067968717 /nfs/dbraw/zinc/96/87/17/1067968717.db2.gz CVRSLOAQUODSFM-MRXNPFEDSA-N 1 0 457.500 4.538 20 0 JJADRO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(-c2cc(F)ccc2F)n1 ZINC001461956475 1067968921 /nfs/dbraw/zinc/96/89/21/1067968921.db2.gz CVRSLOAQUODSFM-INIZCTEOSA-N 1 0 457.500 4.538 20 0 JJADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC001461988150 1067975953 /nfs/dbraw/zinc/97/59/53/1067975953.db2.gz KQBHRATZKLPSPX-CYBMUJFWSA-N 1 0 455.864 4.822 20 0 JJADRO CCOC(=O)Cn1cc(C[NH+](CC2CCCCC2)CC2CCCCC2)c(-c2cnn(C)c2)n1 ZINC001461988333 1067976077 /nfs/dbraw/zinc/97/60/77/1067976077.db2.gz PLABFYQCNHXYFG-UHFFFAOYSA-N 1 0 455.647 4.809 20 0 JJADRO CCOC(=O)N1CCC(C)(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)CC1 ZINC001461997921 1067977527 /nfs/dbraw/zinc/97/75/27/1067977527.db2.gz FFTSIAOWTDYMHT-VWLOTQADSA-N 1 0 452.595 4.910 20 0 JJADRO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1cnc(-c2ccccc2F)s1 ZINC001462036122 1067985597 /nfs/dbraw/zinc/98/55/97/1067985597.db2.gz AJGWYRUEJHVEKU-HXUWFJFHSA-N 1 0 456.539 4.629 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)Cc1ccccc1C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC001462042104 1067987929 /nfs/dbraw/zinc/98/79/29/1067987929.db2.gz LEVOSUQNQPUWHO-FQEVSTJZSA-N 1 0 451.394 4.910 20 0 JJADRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC001462044728 1067988434 /nfs/dbraw/zinc/98/84/34/1067988434.db2.gz KHMYRICDAMHGNB-UHFFFAOYSA-N 1 0 457.014 4.566 20 0 JJADRO CC(=O)N(c1nc(CN[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cs1)c1ccc(F)cc1F ZINC001462045781 1067988903 /nfs/dbraw/zinc/98/89/03/1067988903.db2.gz FICHXWBQXNDRFA-ZHRRBRCNSA-N 1 0 456.562 4.716 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CN1CC[NH+](Cc2cccc3ccccc32)CC1)CC(F)(F)F ZINC001462050520 1067990679 /nfs/dbraw/zinc/99/06/79/1067990679.db2.gz YIQZSWLGZSJVOV-FQEVSTJZSA-N 1 0 451.533 4.803 20 0 JJADRO CCC1(C(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)CCC(F)(F)CC1 ZINC001462055323 1067992724 /nfs/dbraw/zinc/99/27/24/1067992724.db2.gz XOZKRFZBGJCHQQ-UHFFFAOYSA-N 1 0 452.546 4.683 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](CC(N)=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC001462064673 1067994519 /nfs/dbraw/zinc/99/45/19/1067994519.db2.gz QUCAOZPQCALUSP-YUXAGFNASA-N 1 0 458.002 4.987 20 0 JJADRO CCOC(=O)c1cnn2cc(C[N@H+](C)C[C@@H](CC)Oc3ccc(Cl)c(Cl)c3)cnc12 ZINC001462106312 1068004248 /nfs/dbraw/zinc/00/42/48/1068004248.db2.gz VMFVMQXLZFJBSN-OAHLLOKOSA-N 1 0 451.354 4.502 20 0 JJADRO Cc1ccc(-c2noc(CCC(=O)N[C@@H]3CCCCC[N@H+](Cc4ccccc4)C3)n2)cc1F ZINC001462109253 1068005924 /nfs/dbraw/zinc/00/59/24/1068005924.db2.gz BNQNSEWDTWQPDS-JOCHJYFZSA-N 1 0 450.558 4.678 20 0 JJADRO CSc1ncc(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1-c1ccc(F)cc1 ZINC001462109919 1068006326 /nfs/dbraw/zinc/00/63/26/1068006326.db2.gz CPOWEWBQJPBVMQ-OAQYLSRUSA-N 1 0 452.599 4.908 20 0 JJADRO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001462118295 1068007747 /nfs/dbraw/zinc/00/77/47/1068007747.db2.gz CFQQTGYBAUWTMB-IRXDYDNUSA-N 1 0 450.514 4.771 20 0 JJADRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC001462118874 1068008408 /nfs/dbraw/zinc/00/84/08/1068008408.db2.gz IWESXXLJVKKLJE-VQIMIIECSA-N 1 0 457.405 4.985 20 0 JJADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001462121866 1068009609 /nfs/dbraw/zinc/00/96/09/1068009609.db2.gz QHWCDVRBVOIQPH-RNODOKPDSA-N 1 0 455.318 4.578 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001462122583 1068009636 /nfs/dbraw/zinc/00/96/36/1068009636.db2.gz NBABADORLDGUJY-IFMALSPDSA-N 1 0 451.998 4.824 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2ccc(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)cc2C1 ZINC001462124973 1068010725 /nfs/dbraw/zinc/01/07/25/1068010725.db2.gz DXYJXEMHGWBNQI-UHFFFAOYSA-N 1 0 454.586 4.689 20 0 JJADRO Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C(F)(F)F ZINC001462132937 1068012391 /nfs/dbraw/zinc/01/23/91/1068012391.db2.gz ZASLLQHCBZHDQL-UYAOXDASSA-N 1 0 456.512 4.697 20 0 JJADRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC001462150305 1068016282 /nfs/dbraw/zinc/01/62/82/1068016282.db2.gz IWSGWNMVPVJLQZ-JXFKEZNVSA-N 1 0 452.355 4.616 20 0 JJADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001462162750 1068019321 /nfs/dbraw/zinc/01/93/21/1068019321.db2.gz CZMPROPNCCJJMJ-QGZVFWFLSA-N 1 0 451.409 4.521 20 0 JJADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001462162747 1068019509 /nfs/dbraw/zinc/01/95/09/1068019509.db2.gz CZMPROPNCCJJMJ-KRWDZBQOSA-N 1 0 451.409 4.521 20 0 JJADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)cc1Cl ZINC001462162256 1068019554 /nfs/dbraw/zinc/01/95/54/1068019554.db2.gz JJJJMDHLSTYRSH-CRAIPNDOSA-N 1 0 450.808 4.997 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC[NH2+][C@H]2CSc3ccc(Br)cc32)CCOCC1 ZINC001462168792 1068021092 /nfs/dbraw/zinc/02/10/92/1068021092.db2.gz HRSNGUXFOJMJTC-INIZCTEOSA-N 1 0 457.434 4.650 20 0 JJADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001462183923 1068024275 /nfs/dbraw/zinc/02/42/75/1068024275.db2.gz NYRSFXMSJVTZAH-RVKKMQEKSA-N 1 0 454.409 4.544 20 0 JJADRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CCc2ccc(I)cc2)cc1OC ZINC001462188861 1068025300 /nfs/dbraw/zinc/02/53/00/1068025300.db2.gz GUPZLMHWGSXWKM-JKSUJKDBSA-N 1 0 453.364 4.850 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1CN(CCCc1ccccc1)CC[NH+](C)C ZINC001462190328 1068025577 /nfs/dbraw/zinc/02/55/77/1068025577.db2.gz TZKOMYWOROSFIA-UHFFFAOYSA-N 1 0 455.444 4.940 20 0 JJADRO COCCc1ccc(OC[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001462189735 1068025843 /nfs/dbraw/zinc/02/58/43/1068025843.db2.gz PWENTTPYMLZCKU-IERDGZPVSA-N 1 0 451.394 4.735 20 0 JJADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)cc1OC ZINC001462245846 1068037425 /nfs/dbraw/zinc/03/74/25/1068037425.db2.gz FVHDRTWIUMKXHI-NJAFHUGGSA-N 1 0 450.417 4.708 20 0 JJADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1)CC3 ZINC001462253112 1068038352 /nfs/dbraw/zinc/03/83/52/1068038352.db2.gz KDEAIZFTZOHOHG-QZTJIDSGSA-N 1 0 457.412 4.546 20 0 JJADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1)CC3 ZINC001462253118 1068038531 /nfs/dbraw/zinc/03/85/31/1068038531.db2.gz KDEAIZFTZOHOHG-ROUUACIJSA-N 1 0 457.412 4.546 20 0 JJADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC001462268690 1068041451 /nfs/dbraw/zinc/04/14/51/1068041451.db2.gz INYPHMKRGVRNRQ-GFCCVEGCSA-N 1 0 457.518 4.505 20 0 JJADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC001462278351 1068042701 /nfs/dbraw/zinc/04/27/01/1068042701.db2.gz LBERRDKLTGOWDN-XUZZJYLKSA-N 1 0 456.558 4.566 20 0 JJADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc(Br)cc2Cl)c(OC)c1 ZINC001462279804 1068042983 /nfs/dbraw/zinc/04/29/83/1068042983.db2.gz BVGRTFXJZSMGAX-ZDUSSCGKSA-N 1 0 455.780 4.669 20 0 JJADRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294335 1068046044 /nfs/dbraw/zinc/04/60/44/1068046044.db2.gz KJIMDJWBRHRFLS-REWPJTCUSA-N 1 0 453.583 4.501 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OCC(F)F)CC1 ZINC001462310532 1068048548 /nfs/dbraw/zinc/04/85/48/1068048548.db2.gz BZTVOOMIYRWZST-DENIHFKCSA-N 1 0 454.558 4.615 20 0 JJADRO CC(C)(C)OC(=O)NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc(F)cc4)o3)C2)nn1 ZINC001462311216 1068048643 /nfs/dbraw/zinc/04/86/43/1068048643.db2.gz DMPPQWIOLZSLGC-HXUWFJFHSA-N 1 0 455.534 4.539 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OCC(F)F)CC1 ZINC001462310536 1068048810 /nfs/dbraw/zinc/04/88/10/1068048810.db2.gz BZTVOOMIYRWZST-KNQAVFIVSA-N 1 0 454.558 4.615 20 0 JJADRO CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CCOCC1 ZINC001546130880 1068053183 /nfs/dbraw/zinc/05/31/83/1068053183.db2.gz HNPXVXJXGMKEFN-UHFFFAOYSA-N 1 0 490.490 4.835 20 0 JJADRO COc1ccc([C@@H](O)C[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)[C@H](C)Cc2ccccc2)cc1 ZINC001462339009 1068053972 /nfs/dbraw/zinc/05/39/72/1068053972.db2.gz FIONXWVJCRTPGM-PIKZIKFNSA-N 1 0 458.602 4.771 20 0 JJADRO CCOC(=O)Cn1cc(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)c(-c2cccnc2)n1 ZINC001462356545 1068058361 /nfs/dbraw/zinc/05/83/61/1068058361.db2.gz IYAYKYBHZOONEA-AUSIDOKSSA-N 1 0 452.986 4.978 20 0 JJADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)c(OC)c1 ZINC001462398373 1068065692 /nfs/dbraw/zinc/06/56/92/1068065692.db2.gz AMOAKTSIHLGOAO-XUEUYAKLSA-N 1 0 454.567 4.581 20 0 JJADRO COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001462436995 1068074024 /nfs/dbraw/zinc/07/40/24/1068074024.db2.gz ITDZTXNCUUSHNX-AUSIDOKSSA-N 1 0 453.579 4.852 20 0 JJADRO C[C@H]1C[N@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1C(=O)OC(C)(C)C ZINC001462442335 1068075310 /nfs/dbraw/zinc/07/53/10/1068075310.db2.gz QROFWFJITDBHMD-QFBILLFUSA-N 1 0 450.645 4.841 20 0 JJADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001462452524 1068077828 /nfs/dbraw/zinc/07/78/28/1068077828.db2.gz JTUJADPDUBLNHC-IBGZPJMESA-N 1 0 455.437 4.824 20 0 JJADRO COc1cc(CC[NH2+]Cc2c(C)nc3scc(C)n23)cc(OC)c1OCc1ccccc1 ZINC001462459105 1068078848 /nfs/dbraw/zinc/07/88/48/1068078848.db2.gz RJYJFIVJHYRTSO-UHFFFAOYSA-N 1 0 451.592 4.941 20 0 JJADRO Cc1c(Br)cc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)cc1Br ZINC001462467388 1068080403 /nfs/dbraw/zinc/08/04/03/1068080403.db2.gz PQHHIAIBDWRPJT-GOSISDBHSA-N 1 0 454.206 4.909 20 0 JJADRO CCOC(=O)COc1ccc(C[N@@H+]2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)cc1 ZINC001462466980 1068080491 /nfs/dbraw/zinc/08/04/91/1068080491.db2.gz LGJMBVQOZFZGTK-UHFFFAOYSA-N 1 0 451.542 4.538 20 0 JJADRO Cc1cccc(C(=O)NC2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)c1 ZINC001462476134 1068081393 /nfs/dbraw/zinc/08/13/93/1068081393.db2.gz WFFNSFXAVXWOMV-UHFFFAOYSA-N 1 0 453.384 4.542 20 0 JJADRO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC001462479254 1068081915 /nfs/dbraw/zinc/08/19/15/1068081915.db2.gz KJXUPMIGMVJKFW-CXQPBAHBSA-N 1 0 451.652 4.646 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+][C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)C1 ZINC001462477057 1068081928 /nfs/dbraw/zinc/08/19/28/1068081928.db2.gz CTJIAVPKIJKUKA-UHYQSWOWSA-N 1 0 451.652 4.647 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)C12CCOCC2 ZINC001462483955 1068082776 /nfs/dbraw/zinc/08/27/76/1068082776.db2.gz HXWYKWWKJKGMMA-WOJBJXKFSA-N 1 0 451.970 4.555 20 0 JJADRO COC(=O)c1ccc(CN[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)c(Br)c1 ZINC001462486923 1068083613 /nfs/dbraw/zinc/08/36/13/1068083613.db2.gz VTQCITAMBLDDPN-GOSISDBHSA-N 1 0 459.306 4.647 20 0 JJADRO CCOc1c(Br)cc(C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)cc1OC ZINC001462487568 1068083956 /nfs/dbraw/zinc/08/39/56/1068083956.db2.gz FNLVHTPBDIMKMB-UHFFFAOYSA-N 1 0 453.421 4.727 20 0 JJADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1O ZINC001462505023 1068087343 /nfs/dbraw/zinc/08/73/43/1068087343.db2.gz SPOJFWFGFZIQQT-HNNXBMFYSA-N 1 0 457.409 4.679 20 0 JJADRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1 ZINC001462524035 1068091166 /nfs/dbraw/zinc/09/11/66/1068091166.db2.gz RISJHILSOBSSNW-QHCPKHFHSA-N 1 0 453.627 4.510 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538700 1068094201 /nfs/dbraw/zinc/09/42/01/1068094201.db2.gz ZBLIVUITMOUREA-UQBPGWFLSA-N 1 0 457.640 4.961 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538833 1068094379 /nfs/dbraw/zinc/09/43/79/1068094379.db2.gz ZQHQCHNENIWWKR-AOMKIAJQSA-N 1 0 451.355 4.593 20 0 JJADRO COc1ccc(NC(=O)C[C@H](C)[N@@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)cc1 ZINC001462550340 1068096804 /nfs/dbraw/zinc/09/68/04/1068096804.db2.gz ZNXNBTUGYLHNJQ-KRWDZBQOSA-N 1 0 455.555 4.654 20 0 JJADRO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001462560259 1068098444 /nfs/dbraw/zinc/09/84/44/1068098444.db2.gz XGMYJTAKBXDQRK-OAQYLSRUSA-N 1 0 459.638 4.946 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@@H+]([C@H]2CCC3(C[C@H]2F)OCCO3)C1)C1CCCC1 ZINC001462561482 1068098699 /nfs/dbraw/zinc/09/86/99/1068098699.db2.gz CMFPNQRZKUJHIR-PDGJWGCVSA-N 1 0 454.627 4.806 20 0 JJADRO COC(=O)c1ccc(C[NH2+]C[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1Br ZINC001462569447 1068099876 /nfs/dbraw/zinc/09/98/76/1068099876.db2.gz WXYBSWYOKKYNMR-XMSQKQJNSA-N 1 0 467.404 4.505 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC001462570491 1068100644 /nfs/dbraw/zinc/10/06/44/1068100644.db2.gz LMPZSDRLZPYSBU-GOUWZUTHSA-N 1 0 460.540 4.779 20 0 JJADRO CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CCOCC1 ZINC001546132568 1068101845 /nfs/dbraw/zinc/10/18/45/1068101845.db2.gz NHVJSPJCYIGKRR-SFHVURJKSA-N 1 0 496.483 4.616 20 0 JJADRO COC(=O)c1ccc(COc2ccc(C[N@@H+]3CC[C@@H](c4c(F)cccc4F)C3)cc2OC)o1 ZINC001462576251 1068102262 /nfs/dbraw/zinc/10/22/62/1068102262.db2.gz BVNRGEOCGQJNGS-QGZVFWFLSA-N 1 0 457.473 4.922 20 0 JJADRO C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001462575850 1068102397 /nfs/dbraw/zinc/10/23/97/1068102397.db2.gz HCNWVKZBADUCED-OFNKIYASSA-N 1 0 453.627 4.952 20 0 JJADRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001462578994 1068103144 /nfs/dbraw/zinc/10/31/44/1068103144.db2.gz UWZNDAFXBRCSJI-RXVVDRJESA-N 1 0 455.565 4.920 20 0 JJADRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)C1 ZINC001462592627 1068107622 /nfs/dbraw/zinc/10/76/22/1068107622.db2.gz NDWHCLPDCLAOGV-FVJLSDCUSA-N 1 0 450.542 4.810 20 0 JJADRO CC(C)(C)OC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC001462616316 1068112912 /nfs/dbraw/zinc/11/29/12/1068112912.db2.gz GNOCVBDQGGTCBM-JOCHJYFZSA-N 1 0 458.002 4.759 20 0 JJADRO CN1CC[C@@H]([NH2+]CC(=O)N2CCCCc3ccccc32)C[C@@H]1c1ccc(Br)cc1 ZINC001462622381 1068115081 /nfs/dbraw/zinc/11/50/81/1068115081.db2.gz MFODRKCUHYYMCZ-FYYLOGMGSA-N 1 0 456.428 4.544 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1cccc(Oc3ccccn3)c1)CC2 ZINC001462630547 1068118192 /nfs/dbraw/zinc/11/81/92/1068118192.db2.gz FFMLESPGPDZDMZ-JOCHJYFZSA-N 1 0 453.583 4.770 20 0 JJADRO Cc1sc(C[NH+]2CCC3(CO[C@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1Br ZINC001462634231 1068119330 /nfs/dbraw/zinc/11/93/30/1068119330.db2.gz MTDCRRVVOAQVID-HNNXBMFYSA-N 1 0 459.450 4.715 20 0 JJADRO CC(C)[C@@H]1CCC[C@](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001462648485 1068123939 /nfs/dbraw/zinc/12/39/39/1068123939.db2.gz RHZQGMDOPWFWMF-ZVXPMLRVSA-N 1 0 456.597 4.888 20 0 JJADRO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)CC1 ZINC001462657166 1068125943 /nfs/dbraw/zinc/12/59/43/1068125943.db2.gz XOQWAMDQECDRFD-QHCPKHFHSA-N 1 0 453.631 4.742 20 0 JJADRO O=S(=O)(NCc1cccc(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001462688777 1068132217 /nfs/dbraw/zinc/13/22/17/1068132217.db2.gz ZWQPRHAOMWBOEV-BJKOFHAPSA-N 1 0 458.986 4.567 20 0 JJADRO O=S(=O)(NCc1ccccc1F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462693826 1068133489 /nfs/dbraw/zinc/13/34/89/1068133489.db2.gz JDIKFHJTTDLMBE-LADGPHEKSA-N 1 0 458.986 4.567 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1C(F)(F)F ZINC001462729804 1068145967 /nfs/dbraw/zinc/14/59/67/1068145967.db2.gz NWQCJDLMUXHGJE-UHFFFAOYSA-N 1 0 453.549 4.961 20 0 JJADRO CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCOCC1 ZINC001546133914 1068167541 /nfs/dbraw/zinc/16/75/41/1068167541.db2.gz FCRJRKXPJBQVOM-UHFFFAOYSA-N 1 0 469.674 4.719 20 0 JJADRO Cc1cccc(Oc2ccc(S(=O)(=O)NC3CC[NH+](CCc4ccccc4)CC3)cc2)c1 ZINC001462813879 1068174619 /nfs/dbraw/zinc/17/46/19/1068174619.db2.gz HPRZDUDDUAZPDJ-UHFFFAOYSA-N 1 0 450.604 4.773 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001462835311 1068184403 /nfs/dbraw/zinc/18/44/03/1068184403.db2.gz WDAZHLHUZHWJRX-QGZVFWFLSA-N 1 0 456.530 4.579 20 0 JJADRO CC(C)n1ncc2cc(S(=O)(=O)NCc3ccc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)ccc21 ZINC001462839891 1068186257 /nfs/dbraw/zinc/18/62/57/1068186257.db2.gz WJTKOMCOCLWHKW-WOJBJXKFSA-N 1 0 454.640 4.574 20 0 JJADRO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001462863556 1068195173 /nfs/dbraw/zinc/19/51/73/1068195173.db2.gz ZKLPRJKRGSFIOC-UHFFFAOYSA-N 1 0 458.933 4.570 20 0 JJADRO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c2ccccc12 ZINC001462895756 1068206653 /nfs/dbraw/zinc/20/66/53/1068206653.db2.gz KOTQXWSMCHUPTD-XMMPIXPASA-N 1 0 452.620 4.990 20 0 JJADRO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2ccccc2OC(C)C)cc1 ZINC001462905485 1068210275 /nfs/dbraw/zinc/21/02/75/1068210275.db2.gz XSQBJKUCLVHVKL-XTEPFMGCSA-N 1 0 478.658 4.870 20 0 JJADRO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@@H](CC[NH+](C)C)c3cccnc3)cc12 ZINC001462933158 1068220385 /nfs/dbraw/zinc/22/03/85/1068220385.db2.gz SIZHWNILIFYKLV-IBGZPJMESA-N 1 0 453.999 4.867 20 0 JJADRO Cc1ccc([C@@H](CNS(=O)(=O)c2c(Cl)cccc2Br)[NH+]2CCCC2)cc1 ZINC001462952979 1068227655 /nfs/dbraw/zinc/22/76/55/1068227655.db2.gz HBTMLJCUROAJIF-GOSISDBHSA-N 1 0 457.821 4.526 20 0 JJADRO O=S(=O)(CCc1ccccc1F)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001462973373 1068233993 /nfs/dbraw/zinc/23/39/93/1068233993.db2.gz HNVPSNFPEWRJHU-UHFFFAOYSA-N 1 0 459.414 4.603 20 0 JJADRO Cc1cc(Br)ccc1S(=O)(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001463039684 1068260213 /nfs/dbraw/zinc/26/02/13/1068260213.db2.gz ZRPWYSLVRCFXCC-QGZVFWFLSA-N 1 0 451.430 4.699 20 0 JJADRO CCS[C@@H]1CCCCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463062861 1068272263 /nfs/dbraw/zinc/27/22/63/1068272263.db2.gz FZUDSKXRRXOBLK-UODIDJSMSA-N 1 0 472.720 4.900 20 0 JJADRO Cc1noc(C)c1[C@H](C)NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001463136369 1068298907 /nfs/dbraw/zinc/29/89/07/1068298907.db2.gz PEOUKTVQEDCPKP-PDIWNELESA-N 1 0 474.026 4.593 20 0 JJADRO CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001463145503 1068302368 /nfs/dbraw/zinc/30/23/68/1068302368.db2.gz BTLHHQHCWXOCEK-DETITRACSA-N 1 0 456.586 4.831 20 0 JJADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463150882 1068304375 /nfs/dbraw/zinc/30/43/75/1068304375.db2.gz RWPGUAVFBYFPRQ-NDIVSWGXSA-N 1 0 477.649 4.806 20 0 JJADRO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001463223526 1068325995 /nfs/dbraw/zinc/32/59/95/1068325995.db2.gz COVHZEZZPXTPSL-NRFANRHFSA-N 1 0 457.398 4.809 20 0 JJADRO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1C(F)(F)F ZINC001463224567 1068326539 /nfs/dbraw/zinc/32/65/39/1068326539.db2.gz JPWDDHJNJQJUPV-JOCHJYFZSA-N 1 0 452.542 4.691 20 0 JJADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001463229731 1068328112 /nfs/dbraw/zinc/32/81/12/1068328112.db2.gz IVAZLPXSTIURKT-URXFXBBRSA-N 1 0 450.604 4.597 20 0 JJADRO CCS[C@@H]1CCC[C@H]1NS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264517 1068338591 /nfs/dbraw/zinc/33/85/91/1068338591.db2.gz CQOYDBQMJHRYMO-ZYQDXHPFSA-N 1 0 458.693 4.557 20 0 JJADRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C(F)(F)F ZINC001463276592 1068341266 /nfs/dbraw/zinc/34/12/66/1068341266.db2.gz AGFXBMJSQGSNJF-KNQAVFIVSA-N 1 0 452.542 4.689 20 0 JJADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C(F)(F)F ZINC001463276598 1068341452 /nfs/dbraw/zinc/34/14/52/1068341452.db2.gz AGFXBMJSQGSNJF-SIKLNZKXSA-N 1 0 452.542 4.689 20 0 JJADRO CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463344339 1068364254 /nfs/dbraw/zinc/36/42/54/1068364254.db2.gz UAPWTOONIDRODP-QPXUXIHVSA-N 1 0 469.670 4.829 20 0 JJADRO CCOc1cccc(CCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)c1 ZINC001463357467 1068369455 /nfs/dbraw/zinc/36/94/55/1068369455.db2.gz HKADDBWMNFBHHS-WUFINQPMSA-N 1 0 478.658 4.524 20 0 JJADRO COC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc(F)c1Cl ZINC001463357672 1068370292 /nfs/dbraw/zinc/37/02/92/1068370292.db2.gz QHLVPIVXMNYNJS-QZTJIDSGSA-N 1 0 473.957 4.577 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3OCc3cccc(Br)c3)C[C@H]2C1 ZINC001463371797 1068375016 /nfs/dbraw/zinc/37/50/16/1068375016.db2.gz BLHDZDDEVBPPAN-QKNQBKEWSA-N 1 0 457.412 4.830 20 0 JJADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1ncccc1Br ZINC001463406329 1068386553 /nfs/dbraw/zinc/38/65/53/1068386553.db2.gz FYMNAZRHPROVEQ-PXDATVDWSA-N 1 0 464.407 4.550 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001463412840 1068389636 /nfs/dbraw/zinc/38/96/36/1068389636.db2.gz LTUZXDDMXUHYOZ-WNCULLNHSA-N 1 0 455.643 4.681 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)c1ccccc1 ZINC001463425752 1068393127 /nfs/dbraw/zinc/39/31/27/1068393127.db2.gz MYRJMOYGSNEMSZ-QFIPXVFZSA-N 1 0 455.400 4.838 20 0 JJADRO O=S(=O)(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1c(Cl)cccc1Br ZINC001463521681 1068426734 /nfs/dbraw/zinc/42/67/34/1068426734.db2.gz VIXWOUQDQBNUKT-SFHVURJKSA-N 1 0 457.821 4.608 20 0 JJADRO CSc1ccc(Oc2ccc(S(=O)(=O)NCc3ccc(CC[NH+](C)C)cc3)cc2)cc1 ZINC001463523859 1068428121 /nfs/dbraw/zinc/42/81/21/1068428121.db2.gz ABLGYKUDNZYRMC-UHFFFAOYSA-N 1 0 456.633 4.783 20 0 JJADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001463554223 1068439493 /nfs/dbraw/zinc/43/94/93/1068439493.db2.gz UAOWVJIAADNFMJ-UHFFFAOYSA-N 1 0 451.858 4.734 20 0 JJADRO COc1cccc([C@H](CNC(=O)Cc2ccc(Br)cc2Cl)[NH+]2CCCC2)c1 ZINC001463554242 1068439538 /nfs/dbraw/zinc/43/95/38/1068439538.db2.gz BTTWNHRDRNYCCC-FQEVSTJZSA-N 1 0 451.792 4.607 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)[NH+]2CCCC2)c1 ZINC001463558690 1068441853 /nfs/dbraw/zinc/44/18/53/1068441853.db2.gz BRXCHWZXPWVGKG-FQEVSTJZSA-N 1 0 459.468 4.535 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2cc(Cl)c(F)cc2Br)[NH+]2CCCC2)c1 ZINC001463559400 1068442640 /nfs/dbraw/zinc/44/26/40/1068442640.db2.gz RSKWOAKFDXBGSV-IBGZPJMESA-N 1 0 455.755 4.817 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2cc3c([nH]2)c(C)ccc3Br)[NH+]2CCCC2)c1 ZINC001463564232 1068446030 /nfs/dbraw/zinc/44/60/30/1068446030.db2.gz YQQGAYZJMBFHCC-NRFANRHFSA-N 1 0 456.384 4.814 20 0 JJADRO COc1ccc([C@@H](CNC(=O)c2cc3c(Br)cccc3cn2)[NH+]2CCCC2)cc1 ZINC001463566022 1068447369 /nfs/dbraw/zinc/44/73/69/1068447369.db2.gz PKRSVWZOBHRFGH-JOCHJYFZSA-N 1 0 454.368 4.573 20 0 JJADRO COc1ccc([C@@H](CNC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)[NH+]2CCCC2)cc1 ZINC001463567050 1068448044 /nfs/dbraw/zinc/44/80/44/1068448044.db2.gz QQKYZDFXHSQWQM-HSZRJFAPSA-N 1 0 453.583 4.538 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)c1cc(Br)cc2cccnc21)[NH+]1CCCC1 ZINC001463570439 1068450348 /nfs/dbraw/zinc/45/03/48/1068450348.db2.gz HGJQJKVSMMJXCQ-FQEVSTJZSA-N 1 0 454.368 4.573 20 0 JJADRO CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)C2=O)cc1 ZINC001463573386 1068451689 /nfs/dbraw/zinc/45/16/89/1068451689.db2.gz OAFCEYJKQBEQPN-DHIUTWEWSA-N 1 0 453.652 4.814 20 0 JJADRO O=S(=O)(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001463638251 1068477622 /nfs/dbraw/zinc/47/76/22/1068477622.db2.gz IUBSLORKOSKAGN-FQEVSTJZSA-N 1 0 456.995 4.933 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1cccs1 ZINC001463648810 1068480034 /nfs/dbraw/zinc/48/00/34/1068480034.db2.gz ZDDLGPPTQYEOPR-OAQYLSRUSA-N 1 0 457.640 4.734 20 0 JJADRO COc1cccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)NCC[NH+](C)C)c1OC ZINC001463658967 1068485660 /nfs/dbraw/zinc/48/56/60/1068485660.db2.gz ONJVLOYCERIIOE-CIJMEZBMSA-N 1 0 459.590 4.666 20 0 JJADRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC001463752806 1068512888 /nfs/dbraw/zinc/51/28/88/1068512888.db2.gz NRMKHFNNFGUTJF-LBPRGKRZSA-N 1 0 458.249 4.545 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)[NH+](C)C)cc1 ZINC001463764030 1068516704 /nfs/dbraw/zinc/51/67/04/1068516704.db2.gz PQWRLMULRUXWSO-JOCHJYFZSA-N 1 0 454.977 4.749 20 0 JJADRO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cnn1-c1cccc(Br)c1 ZINC001463767822 1068518066 /nfs/dbraw/zinc/51/80/66/1068518066.db2.gz XWHAGAWZDHEUMN-JOCHJYFZSA-N 1 0 453.384 4.510 20 0 JJADRO CC(C)(C)C(=O)c1ccc(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001463770157 1068518693 /nfs/dbraw/zinc/51/86/93/1068518693.db2.gz XOLPLEAKHQMCLP-NOTZXAQLSA-N 1 0 454.636 4.779 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)Cc1ccccc1 ZINC001463771101 1068519359 /nfs/dbraw/zinc/51/93/59/1068519359.db2.gz UOSOITKRXASZQU-FGZHOGPDSA-N 1 0 451.611 4.595 20 0 JJADRO CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)c2C1 ZINC001463773218 1068520605 /nfs/dbraw/zinc/52/06/05/1068520605.db2.gz BCEBQEQJUUSGJT-LEWJYISDSA-N 1 0 451.655 4.863 20 0 JJADRO CC(C)c1ncc(OCc2ccccc2)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC001463784969 1068523070 /nfs/dbraw/zinc/52/30/70/1068523070.db2.gz VLWYBHPSHVIGLZ-HXUWFJFHSA-N 1 0 450.608 4.807 20 0 JJADRO COc1cc(C(C)C)c(S(=O)(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1C ZINC001463788104 1068524236 /nfs/dbraw/zinc/52/42/36/1068524236.db2.gz ZVDPZBKAHRNYAT-UHFFFAOYSA-N 1 0 456.652 4.804 20 0 JJADRO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2C)[NH+](CC)CC)cc1 ZINC001463789812 1068524590 /nfs/dbraw/zinc/52/45/90/1068524590.db2.gz AWOCVPYOEMEBPF-HXUWFJFHSA-N 1 0 453.446 4.681 20 0 JJADRO CCc1ccc([C@H](CNS(=O)(=O)c2ccc3sc(Cl)nc3c2)[NH+](CC)CC)cc1 ZINC001463790929 1068525118 /nfs/dbraw/zinc/52/51/18/1068525118.db2.gz GKEMYAVWDNTBJP-IBGZPJMESA-N 1 0 452.045 4.874 20 0 JJADRO CCc1ccc([C@@H](CNS(=O)(=O)c2c(F)cccc2Br)[NH+](CC)CC)cc1 ZINC001463794256 1068526522 /nfs/dbraw/zinc/52/65/22/1068526522.db2.gz PSVJHDGVKMOKBT-LJQANCHMSA-N 1 0 457.409 4.512 20 0 JJADRO COc1ccc(Oc2ccc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)nc2)cc1 ZINC001463797221 1068528059 /nfs/dbraw/zinc/52/80/59/1068528059.db2.gz WRIPZWABIZUZBB-UHFFFAOYSA-N 1 0 451.954 4.930 20 0 JJADRO O=C(COc1ccc2cc(Br)ccc2c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001463828380 1068539480 /nfs/dbraw/zinc/53/94/80/1068539480.db2.gz QBHQRCUWVQGIEZ-UHFFFAOYSA-N 1 0 453.380 4.716 20 0 JJADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC001463830470 1068540056 /nfs/dbraw/zinc/54/00/56/1068540056.db2.gz LRECYXCJROIBPI-DEOSSOPVSA-N 1 0 459.011 4.638 20 0 JJADRO CCN1C(=O)C[C@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H]1c1cccc(C)c1 ZINC001463832851 1068540453 /nfs/dbraw/zinc/54/04/53/1068540453.db2.gz AZPPZKIKXNDHMX-RSEQLOHWSA-N 1 0 454.014 4.511 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001463838651 1068543119 /nfs/dbraw/zinc/54/31/19/1068543119.db2.gz QNAMLEMSAGHWFC-UEXGIBASSA-N 1 0 450.023 4.677 20 0 JJADRO CCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[NH+](C(C)C)CC2)CCCC1 ZINC001546142425 1068554053 /nfs/dbraw/zinc/55/40/53/1068554053.db2.gz JUMRQIRSXUWVLB-QFIPXVFZSA-N 1 0 488.721 4.893 20 0 JJADRO CCCc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccccc3Cl)[NH+](CC)CC)CC2=O)cc1 ZINC001463912099 1068563069 /nfs/dbraw/zinc/56/30/69/1068563069.db2.gz IJLAEKCBWQMRDC-RDPSFJRHSA-N 1 0 456.030 4.845 20 0 JJADRO CCOc1cc(NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)c(OCC)cc1NC(=O)c1ccccc1 ZINC001463954669 1068574235 /nfs/dbraw/zinc/57/42/35/1068574235.db2.gz DUBQRQXYHVEFPE-FQEVSTJZSA-N 1 0 453.583 4.795 20 0 JJADRO CC1CC[NH+](Cc2ccc(CNC(=O)Cn3c4ccccc4nc3SC(F)F)cc2)CC1 ZINC001464023450 1068591798 /nfs/dbraw/zinc/59/17/98/1068591798.db2.gz AMVQUJSZRPSMKF-UHFFFAOYSA-N 1 0 458.578 4.899 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001464049654 1068600388 /nfs/dbraw/zinc/60/03/88/1068600388.db2.gz BNKFENJWDFNCAC-UHFFFAOYSA-N 1 0 450.819 4.575 20 0 JJADRO O=C(CCCC(=O)c1ccccc1)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001464073835 1068605755 /nfs/dbraw/zinc/60/57/55/1068605755.db2.gz OQACCMJHONUIJM-UHFFFAOYSA-N 1 0 455.602 4.996 20 0 JJADRO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001464095562 1068613342 /nfs/dbraw/zinc/61/33/42/1068613342.db2.gz HKDKWGVZGRHMTH-UHFFFAOYSA-N 1 0 452.599 4.508 20 0 JJADRO CC[C@H](CNC(=O)CCCC(=O)c1ccc(Br)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001464096920 1068613918 /nfs/dbraw/zinc/61/39/18/1068613918.db2.gz FATYQNBJMKMSEI-JOCHJYFZSA-N 1 0 457.412 4.755 20 0 JJADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cnn(Cc2ccccc2)c1Br ZINC001464107330 1068618302 /nfs/dbraw/zinc/61/83/02/1068618302.db2.gz SJMGYUVQHGAWAF-UHFFFAOYSA-N 1 0 453.384 4.932 20 0 JJADRO CC(C)c1scnc1C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001464119222 1068621217 /nfs/dbraw/zinc/62/12/17/1068621217.db2.gz GTGLRKHQSUGERH-UHFFFAOYSA-N 1 0 454.562 4.618 20 0 JJADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Cc3ccc(OCc4ccccc4)cc3)cc2)C[C@@H](C)O1 ZINC001464120988 1068621827 /nfs/dbraw/zinc/62/18/27/1068621827.db2.gz MAIWLCBARXJRFS-DHIUTWEWSA-N 1 0 458.602 4.734 20 0 JJADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)C[C@H](C)O1 ZINC001464122182 1068622374 /nfs/dbraw/zinc/62/23/74/1068622374.db2.gz RCULXXQJLAKBNP-ROUUACIJSA-N 1 0 459.512 4.743 20 0 JJADRO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001464134389 1068629290 /nfs/dbraw/zinc/62/92/90/1068629290.db2.gz FMDMNGYFTCTFNS-HXUWFJFHSA-N 1 0 452.039 4.924 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccsc1 ZINC001464141959 1068632504 /nfs/dbraw/zinc/63/25/04/1068632504.db2.gz SFPSNACLHXNCLW-HXUWFJFHSA-N 1 0 450.048 4.877 20 0 JJADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001464152632 1068635056 /nfs/dbraw/zinc/63/50/56/1068635056.db2.gz HUAIZHCIWGRRDL-IAGOWNOFSA-N 1 0 450.549 4.714 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001464154631 1068635839 /nfs/dbraw/zinc/63/58/39/1068635839.db2.gz HFPGJDQHJSZRGF-XAJLNHFYSA-N 1 0 455.643 4.857 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc1 ZINC001464155904 1068636153 /nfs/dbraw/zinc/63/61/53/1068636153.db2.gz IGTKYFHOIIQZGO-UHFFFAOYSA-N 1 0 455.599 4.993 20 0 JJADRO Cc1cccc(-c2noc(SCC(=O)NCc3ccccc3C[N@H+]3CCC[C@H](C)C3)n2)c1 ZINC001464158055 1068636824 /nfs/dbraw/zinc/63/68/24/1068636824.db2.gz PBZHMUXHLPOHHM-IBGZPJMESA-N 1 0 450.608 4.685 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC001464157957 1068637081 /nfs/dbraw/zinc/63/70/81/1068637081.db2.gz NMVCVJDBBDLEDQ-MRXNPFEDSA-N 1 0 453.384 4.554 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COCCc2ccc(Br)cc2)C1 ZINC001464162761 1068638775 /nfs/dbraw/zinc/63/87/75/1068638775.db2.gz YFPWGJNGSCFJFK-IBGZPJMESA-N 1 0 459.428 4.557 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COCCc2ccc(Br)cc2)C1 ZINC001464162764 1068638925 /nfs/dbraw/zinc/63/89/25/1068638925.db2.gz YFPWGJNGSCFJFK-LJQANCHMSA-N 1 0 459.428 4.557 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC001464191885 1068650291 /nfs/dbraw/zinc/65/02/91/1068650291.db2.gz FOWCRXWUAZWUGC-QZMQVMSPSA-N 1 0 457.412 4.547 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 ZINC001464200716 1068654184 /nfs/dbraw/zinc/65/41/84/1068654184.db2.gz VJSXAIRUCANCRT-UHFFFAOYSA-N 1 0 456.656 4.969 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cnn3cccc(Br)c23)C1 ZINC001464205405 1068656134 /nfs/dbraw/zinc/65/61/34/1068656134.db2.gz TWKYAUAZGQPXMQ-IAGOWNOFSA-N 1 0 455.400 4.505 20 0 JJADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(I)ccc2C)cc1 ZINC001464207327 1068657371 /nfs/dbraw/zinc/65/73/71/1068657371.db2.gz XOWOBZVXWIWPEL-UHFFFAOYSA-N 1 0 452.336 4.573 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCCCN3C(=O)OC(C)(C)C)cc2)C1 ZINC001464209110 1068658808 /nfs/dbraw/zinc/65/88/08/1068658808.db2.gz FAYCPXIZAQBBIC-LGVFNWMJSA-N 1 0 457.659 4.960 20 0 JJADRO CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001464211739 1068659925 /nfs/dbraw/zinc/65/99/25/1068659925.db2.gz ODGXKCCWVGUMLI-XARGGIHNSA-N 1 0 459.675 4.966 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)C1 ZINC001464221703 1068663724 /nfs/dbraw/zinc/66/37/24/1068663724.db2.gz XMMWQNXLMFZLKC-TXTKFYIRSA-N 1 0 457.659 4.729 20 0 JJADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464230860 1068667100 /nfs/dbraw/zinc/66/71/00/1068667100.db2.gz KLCAWYBTRIXBCY-IRXDYDNUSA-N 1 0 450.764 4.646 20 0 JJADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464230869 1068667122 /nfs/dbraw/zinc/66/71/22/1068667122.db2.gz KLCAWYBTRIXBCY-SJORKVTESA-N 1 0 450.764 4.646 20 0 JJADRO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464239228 1068670686 /nfs/dbraw/zinc/67/06/86/1068670686.db2.gz SBCVYHXTYKMSET-KNQAVFIVSA-N 1 0 451.586 4.839 20 0 JJADRO C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464239239 1068670697 /nfs/dbraw/zinc/67/06/97/1068670697.db2.gz SBCVYHXTYKMSET-UGKGYDQZSA-N 1 0 451.586 4.839 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC001464249770 1068675171 /nfs/dbraw/zinc/67/51/71/1068675171.db2.gz NVVGHVXHEHREFM-QFIPXVFZSA-N 1 0 450.627 4.645 20 0 JJADRO C[C@H](Oc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1)c1ccccc1 ZINC001464276534 1068686104 /nfs/dbraw/zinc/68/61/04/1068686104.db2.gz WTXNGTWOVOCZDO-FQEVSTJZSA-N 1 0 457.574 4.776 20 0 JJADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001464278023 1068687368 /nfs/dbraw/zinc/68/73/68/1068687368.db2.gz WVYZQBBKVHPYBH-QFQXNSOFSA-N 1 0 456.652 4.835 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)[NH+]1CCCCC1 ZINC001464326729 1068707329 /nfs/dbraw/zinc/70/73/29/1068707329.db2.gz AJWHVMALUILEFJ-JOCHJYFZSA-N 1 0 450.970 4.763 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)[NH+]1CCCCC1 ZINC001464327332 1068707518 /nfs/dbraw/zinc/70/75/18/1068707518.db2.gz CJQDOYXUNKGBNC-ROOORRATSA-N 1 0 454.567 4.600 20 0 JJADRO COc1ccccc1[C@H](CNC(=O)[C@@H](OC)c1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC001464334881 1068710798 /nfs/dbraw/zinc/71/07/98/1068710798.db2.gz OSIQMCCDVPKTPH-UNMCSNQZSA-N 1 0 450.501 4.745 20 0 JJADRO Cc1c(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001464364392 1068720121 /nfs/dbraw/zinc/72/01/21/1068720121.db2.gz ZLSBOPIHLAEJLM-UHFFFAOYSA-N 1 0 454.615 4.639 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001464399470 1068732626 /nfs/dbraw/zinc/73/26/26/1068732626.db2.gz KSYBFPAIWGHEKO-OAQYLSRUSA-N 1 0 458.393 4.777 20 0 JJADRO C[C@@H]1CCC[C@](CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)([NH+](C)C)C1 ZINC001464399628 1068732650 /nfs/dbraw/zinc/73/26/50/1068732650.db2.gz JKHQDFQJDTYYIB-QRQCRPRQSA-N 1 0 453.414 4.993 20 0 JJADRO CSc1ncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)n1-c1ccc(F)cc1 ZINC001464405773 1068735185 /nfs/dbraw/zinc/73/51/85/1068735185.db2.gz ZXMYRDFCRMORAN-JOCHJYFZSA-N 1 0 452.599 4.936 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001464410895 1068736865 /nfs/dbraw/zinc/73/68/65/1068736865.db2.gz CFBQUMLNZKETTB-UBFVSLLYSA-N 1 0 471.686 4.886 20 0 JJADRO CCCOc1ccc(CN(Cc2ccccc2)C(=O)C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001546146765 1068738739 /nfs/dbraw/zinc/73/87/39/1068738739.db2.gz BKHOVDVMHIDPGM-UHFFFAOYSA-N 1 0 450.623 4.895 20 0 JJADRO CCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)cc1 ZINC001464425673 1068741151 /nfs/dbraw/zinc/74/11/51/1068741151.db2.gz DGKXZYUQKAHODB-ZJSXRUAMSA-N 1 0 457.640 4.571 20 0 JJADRO O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC001464431252 1068742833 /nfs/dbraw/zinc/74/28/33/1068742833.db2.gz XBJMYTFGUNTGCX-UHFFFAOYSA-N 1 0 451.954 4.984 20 0 JJADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001464434941 1068744394 /nfs/dbraw/zinc/74/43/94/1068744394.db2.gz UGHDGEXLODVQRO-OTWHNJEPSA-N 1 0 459.660 4.618 20 0 JJADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001464435078 1068744418 /nfs/dbraw/zinc/74/44/18/1068744418.db2.gz VOSSBFFBZMQUQB-FAKFISEUSA-N 1 0 457.659 4.727 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CCCCC1 ZINC001464439482 1068746593 /nfs/dbraw/zinc/74/65/93/1068746593.db2.gz LJLJAFIKXDAJPZ-UHFFFAOYSA-N 1 0 456.530 4.540 20 0 JJADRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC001464466256 1068756726 /nfs/dbraw/zinc/75/67/26/1068756726.db2.gz SZVUGFJFPOOURV-INYRMVIESA-N 1 0 454.014 4.502 20 0 JJADRO COc1ccc(C(=O)CCCCC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC001464490241 1068764471 /nfs/dbraw/zinc/76/44/71/1068764471.db2.gz WSQFOUCWQQKKCA-HSZRJFAPSA-N 1 0 450.579 4.543 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc2c(c1)OC(F)(F)O2)c1ccc(C(F)(F)F)cc1 ZINC001464503236 1068767694 /nfs/dbraw/zinc/76/76/94/1068767694.db2.gz ZHRBMVJWTKCOIY-QGZVFWFLSA-N 1 0 458.427 4.769 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)CCc1nnc(C2CCCC2)o1)c1ccc(C(F)(F)F)cc1 ZINC001464503431 1068768163 /nfs/dbraw/zinc/76/81/63/1068768163.db2.gz ZQPPGYHUENATCE-LJQANCHMSA-N 1 0 452.521 4.878 20 0 JJADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464505910 1068768212 /nfs/dbraw/zinc/76/82/12/1068768212.db2.gz PLLUJRJGJNFGIC-HSZRJFAPSA-N 1 0 457.590 4.762 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C)[NH+](C)C ZINC001464537971 1068775632 /nfs/dbraw/zinc/77/56/32/1068775632.db2.gz HRFQLAJXDKWRNO-UZQPLGKSSA-N 1 0 451.442 4.997 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C1 ZINC001464540756 1068776689 /nfs/dbraw/zinc/77/66/89/1068776689.db2.gz GEOUYAZIMDHPJZ-IBGZPJMESA-N 1 0 455.002 4.505 20 0 JJADRO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001464555866 1068780529 /nfs/dbraw/zinc/78/05/29/1068780529.db2.gz XVGRXDKXFPKTOX-IBGZPJMESA-N 1 0 457.018 4.902 20 0 JJADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001464564845 1068783494 /nfs/dbraw/zinc/78/34/94/1068783494.db2.gz XSMFTWAFLBPXKJ-IBGZPJMESA-N 1 0 450.446 4.886 20 0 JJADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(Nc3ccccc3C(C)(C)C)cc2)CC1 ZINC001464572708 1068786827 /nfs/dbraw/zinc/78/68/27/1068786827.db2.gz CGQSHZWRKHMCSI-UHFFFAOYSA-N 1 0 457.622 4.805 20 0 JJADRO Cc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3)c2Br)[NH+]2CCCC2)cc1 ZINC001464588782 1068792622 /nfs/dbraw/zinc/79/26/22/1068792622.db2.gz TVZXJEPQODMDJG-NRFANRHFSA-N 1 0 453.384 4.510 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001464643762 1068809357 /nfs/dbraw/zinc/80/93/57/1068809357.db2.gz STJBHHYJABKZLH-UHFFFAOYSA-N 1 0 452.755 4.927 20 0 JJADRO Cc1cc(I)cc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1C ZINC001464646603 1068810229 /nfs/dbraw/zinc/81/02/29/1068810229.db2.gz FWCMDNJSBBPSJS-UHFFFAOYSA-N 1 0 454.396 4.683 20 0 JJADRO CC[NH+](CC)CCn1c(NC(=O)c2ccc(Nc3nccs3)cc2F)nc2ccccc21 ZINC001464651132 1068812122 /nfs/dbraw/zinc/81/21/22/1068812122.db2.gz BKICXMUCGALSIG-UHFFFAOYSA-N 1 0 452.559 4.970 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cs1 ZINC001464654296 1068813180 /nfs/dbraw/zinc/81/31/80/1068813180.db2.gz ZGADWULUIVFZBN-MRXNPFEDSA-N 1 0 450.649 4.503 20 0 JJADRO CCCN(C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464679097 1068821889 /nfs/dbraw/zinc/82/18/89/1068821889.db2.gz YRPHDBBWYIMGAM-SLYNCCJLSA-N 1 0 463.548 4.707 20 0 JJADRO Cc1ccc([C@H](CNC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[NH+]2CCCC2)o1 ZINC001464681603 1068822931 /nfs/dbraw/zinc/82/29/31/1068822931.db2.gz HTGCHPZQSKBFIR-VXKWHMMOSA-N 1 0 453.583 4.723 20 0 JJADRO COc1ccc(S(=O)(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(C)c1C ZINC001464690584 1068826209 /nfs/dbraw/zinc/82/62/09/1068826209.db2.gz PNWQLTNBFIUHCL-RPLLCQBOSA-N 1 0 464.631 4.649 20 0 JJADRO FC(F)(F)[C@@H]1N(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)CCC12CC[NH2+]CC2 ZINC001164388031 718814318 /nfs/dbraw/zinc/81/43/18/718814318.db2.gz MIXCFJIWONOKDZ-CQSZACIVSA-N 1 0 455.258 4.992 20 0 JJADRO FC(F)(F)[C@@H]1N(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)CCC12CC[NH2+]CC2 ZINC001164389456 718815052 /nfs/dbraw/zinc/81/50/52/718815052.db2.gz WKBCJEUSZPRNMT-JOCHJYFZSA-N 1 0 479.616 4.677 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)n1 ZINC001164387896 718815398 /nfs/dbraw/zinc/81/53/98/718815398.db2.gz JNMXCBVZFRPWEC-HXUWFJFHSA-N 1 0 455.594 4.661 20 0 JJADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCCCC12CC[NH2+]CC2 ZINC001164419907 718910748 /nfs/dbraw/zinc/91/07/48/718910748.db2.gz DFOPEDWWDNNURU-UHFFFAOYSA-N 1 0 485.362 4.798 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@@H]3C)nc1 ZINC001164427559 718951663 /nfs/dbraw/zinc/95/16/63/718951663.db2.gz FIFKWXCVQMVONM-ZEQKJWHPSA-N 1 0 491.680 4.509 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@H]3C)nc1 ZINC001164427557 718951857 /nfs/dbraw/zinc/95/18/57/718951857.db2.gz FIFKWXCVQMVONM-JYFHCDHNSA-N 1 0 491.680 4.509 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccccc4F)nc4ccc(F)cc43)CC2)CC1 ZINC001164613856 719023841 /nfs/dbraw/zinc/02/38/41/719023841.db2.gz IBSQEAHZXYAVBJ-UHFFFAOYSA-N 1 0 480.559 4.819 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC2)CC1 ZINC001164613786 719025326 /nfs/dbraw/zinc/02/53/26/719025326.db2.gz DRGXUJRKHQBVLX-UHFFFAOYSA-N 1 0 451.945 4.677 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC2)CC1 ZINC001164617353 719028785 /nfs/dbraw/zinc/02/87/85/719028785.db2.gz KIJQXVJRPFSMLI-UHFFFAOYSA-N 1 0 478.971 4.586 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(OC)ccc4c(Cl)cc(Cl)nc43)CC2)CC1 ZINC001164618536 719029276 /nfs/dbraw/zinc/02/92/76/719029276.db2.gz YEOMIYPHXPHYQH-UHFFFAOYSA-N 1 0 466.409 4.794 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC2)CC1 ZINC001164617038 719032244 /nfs/dbraw/zinc/03/22/44/719032244.db2.gz FWRAITOYKRPLIA-UHFFFAOYSA-N 1 0 485.000 4.647 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC2)CC1 ZINC001164617176 719035864 /nfs/dbraw/zinc/03/58/64/719035864.db2.gz IXFHKYMWNSZCON-UHFFFAOYSA-N 1 0 470.004 4.793 20 0 JJADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCC(C5C[NH2+]C5)CC4)c23)c1 ZINC001164615189 719036929 /nfs/dbraw/zinc/03/69/29/719036929.db2.gz LFNHXYWYQFEDCP-UHFFFAOYSA-N 1 0 453.681 4.842 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1C ZINC001164621947 719047816 /nfs/dbraw/zinc/04/78/16/719047816.db2.gz KJLJXEGSQWBQNR-AJTFRIOCSA-N 1 0 461.679 4.878 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164624805 719049418 /nfs/dbraw/zinc/04/94/18/719049418.db2.gz PBEFNTNHZZHOBI-XUZZJYLKSA-N 1 0 470.951 4.934 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627379 719095754 /nfs/dbraw/zinc/09/57/54/719095754.db2.gz JYMFQSFXLLOTDE-WOJBJXKFSA-N 1 0 455.940 4.838 20 0 JJADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]2CF)CC1 ZINC001164621071 719122825 /nfs/dbraw/zinc/12/28/25/719122825.db2.gz KJLPPNBCKCTLQD-FUHWJXTLSA-N 1 0 471.671 4.919 20 0 JJADRO [NH3+]C1([C@H]2CN(C(F)(F)c3cc(-c4ccccc4C(F)(F)F)nnc3Cl)C[C@H]2CF)CC1 ZINC001164624139 719126089 /nfs/dbraw/zinc/12/60/89/719126089.db2.gz UBFBSALVLDGBLG-ABAIWWIYSA-N 1 0 464.841 4.874 20 0 JJADRO c1sc([C@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3O2)nc1C1CC1 ZINC001164645067 719288323 /nfs/dbraw/zinc/28/83/23/719288323.db2.gz BGJQFYFGKUXVLC-GPUOULLFSA-N 1 0 458.631 4.940 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164663187 719344465 /nfs/dbraw/zinc/34/44/65/719344465.db2.gz VVTFKEAKZJNIDG-FSSWDIPSSA-N 1 0 467.988 4.600 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164679520 719639036 /nfs/dbraw/zinc/63/90/36/719639036.db2.gz DZMIVEAFXBFJDR-UHFFFAOYSA-N 1 0 452.653 4.708 20 0 JJADRO Cc1cccc2c(Cl)nnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164687146 719668397 /nfs/dbraw/zinc/66/83/97/719668397.db2.gz ZQOGHJPXZJGQEP-FQEVSTJZSA-N 1 0 492.067 4.685 20 0 JJADRO Cc1ccc2c(c1)nc(Cl)nc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683542 719669145 /nfs/dbraw/zinc/66/91/45/719669145.db2.gz RZUVHOOXAIGCRP-HXUWFJFHSA-N 1 0 492.067 4.685 20 0 JJADRO Cc1c(Cl)cnc(Cl)c1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686811 719675776 /nfs/dbraw/zinc/67/57/76/719675776.db2.gz XAGUKEWPDBAATE-SFHVURJKSA-N 1 0 475.464 4.790 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4c(Cl)nc(Cl)nc42)CC3)cs1 ZINC001164694559 719806137 /nfs/dbraw/zinc/80/61/37/719806137.db2.gz ZXUWXEILUJWIHB-UHFFFAOYSA-N 1 0 484.844 4.780 20 0 JJADRO COC(=O)C[C@H](c1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1)C1CC1 ZINC001164692655 719812441 /nfs/dbraw/zinc/81/24/41/719812441.db2.gz QTONMAIYXWOJOV-QFIPXVFZSA-N 1 0 454.640 4.538 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(-c4nc(C(C)(C)C)no4)ccn2)CC3)cs1 ZINC001164692177 719812793 /nfs/dbraw/zinc/81/27/93/719812793.db2.gz MYSVXYJOACQEJT-UHFFFAOYSA-N 1 0 452.628 4.829 20 0 JJADRO C[C@@H]1CCc2c(sc3ncnc(N4CCC5(CC4)C[N@H+](Cc4cccs4)CCO5)c32)C1 ZINC001164694695 719891969 /nfs/dbraw/zinc/89/19/69/719891969.db2.gz CICZPRDVXZIHPK-QGZVFWFLSA-N 1 0 454.665 4.749 20 0 JJADRO Clc1ccc2[nH]c3ncnc(N4CCC5(CC4)C[N@H+](Cc4cccs4)CCO5)c3c2c1 ZINC001164696179 719896869 /nfs/dbraw/zinc/89/68/69/719896869.db2.gz APMJEDCIJWUAKG-UHFFFAOYSA-N 1 0 453.999 4.697 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164809305 720088998 /nfs/dbraw/zinc/08/89/98/720088998.db2.gz JHRVBOTZZHOIIN-VFNWGFHPSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)C2 ZINC001164807485 720093565 /nfs/dbraw/zinc/09/35/65/720093565.db2.gz FSFJQXVHXPFBPX-VAVYLYDRSA-N 1 0 454.618 4.995 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164710248 720103324 /nfs/dbraw/zinc/10/33/24/720103324.db2.gz HUXFZYXPOFUCAF-FQEVSTJZSA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164712072 720104799 /nfs/dbraw/zinc/10/47/99/720104799.db2.gz UZGQSSUWEXPWCA-QGZVFWFLSA-N 1 0 494.011 4.792 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(C(C)(C)C)sc31)CC2 ZINC001164719099 720106092 /nfs/dbraw/zinc/10/60/92/720106092.db2.gz VZIQYQORZNRDGR-HXUWFJFHSA-N 1 0 465.667 4.891 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3sc(C)c(C)c31)CC2 ZINC001164714836 720116440 /nfs/dbraw/zinc/11/64/40/720116440.db2.gz CJDICEHANSEIKX-NRFANRHFSA-N 1 0 451.640 4.519 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3cc(OC)ccc31)CC2 ZINC001164716926 720116870 /nfs/dbraw/zinc/11/68/70/720116870.db2.gz LQDXFQWGQRQZBB-FQEVSTJZSA-N 1 0 467.013 4.799 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164718052 720118159 /nfs/dbraw/zinc/11/81/59/720118159.db2.gz RCSDBAPCWSNCDQ-GOSISDBHSA-N 1 0 472.420 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(OC)c3ccc(Cl)cc31)CC2 ZINC001164719569 720119437 /nfs/dbraw/zinc/11/94/37/720119437.db2.gz ZCLPOGIQDMGXEO-OAQYLSRUSA-N 1 0 467.013 4.799 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164718058 720120730 /nfs/dbraw/zinc/12/07/30/720120730.db2.gz RDSZWFRSSFKJBF-INIZCTEOSA-N 1 0 455.817 4.944 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164812540 720124362 /nfs/dbraw/zinc/12/43/62/720124362.db2.gz PHLIMYYUGJLJMN-YCRPNKLZSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164812538 720125199 /nfs/dbraw/zinc/12/51/99/720125199.db2.gz PHLIMYYUGJLJMN-QVKFZJNVSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164713086 720149111 /nfs/dbraw/zinc/14/91/11/720149111.db2.gz QMLGRIQNOHJOIK-OAQYLSRUSA-N 1 0 482.003 4.839 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164711295 720152025 /nfs/dbraw/zinc/15/20/25/720152025.db2.gz HBNGSADLOVLOAA-JOCHJYFZSA-N 1 0 486.645 4.656 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164713072 720152029 /nfs/dbraw/zinc/15/20/29/720152029.db2.gz QAOPNSFTCPAVKY-XMMPIXPASA-N 1 0 475.662 4.671 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164713060 720152641 /nfs/dbraw/zinc/15/26/41/720152641.db2.gz PSTLJMOAVJDORA-OAQYLSRUSA-N 1 0 487.044 4.593 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)Sc1ccc(Cl)nc1)CC2 ZINC001164714001 720156390 /nfs/dbraw/zinc/15/63/90/720156390.db2.gz NHGOJPBBSULGHM-SFHVURJKSA-N 1 0 469.001 4.776 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3cc(Cl)ncc3cc1OC)CC2 ZINC001164716223 720157468 /nfs/dbraw/zinc/15/74/68/720157468.db2.gz ZAQFCNTWTZCTFC-JOCHJYFZSA-N 1 0 467.013 4.799 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)CC2 ZINC001164716098 720159505 /nfs/dbraw/zinc/15/95/05/720159505.db2.gz XPKMMWFQUKDYNR-HXUWFJFHSA-N 1 0 485.003 4.938 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164816047 720161216 /nfs/dbraw/zinc/16/12/16/720161216.db2.gz JZIWFJZVXMHPOO-ACJLOTCBSA-N 1 0 454.776 4.771 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164814420 720187436 /nfs/dbraw/zinc/18/74/36/720187436.db2.gz GFRMWBOOCGQMDV-REWPJTCUSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164814416 720187532 /nfs/dbraw/zinc/18/75/32/720187532.db2.gz GFRMWBOOCGQMDV-NZQKXSOJSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)C2 ZINC001164815439 720203288 /nfs/dbraw/zinc/20/32/88/720203288.db2.gz ZGBUOYOLLFAZMG-YADARESESA-N 1 0 492.998 4.535 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(OC)cc3)nnc1Cl)C2 ZINC001164811517 720204015 /nfs/dbraw/zinc/20/40/15/720204015.db2.gz JDHPOGCOKPGQQY-YADARESESA-N 1 0 492.998 4.535 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164814578 720204864 /nfs/dbraw/zinc/20/48/64/720204864.db2.gz UNYJOTWJEPDLMD-MBSDFSHPSA-N 1 0 454.005 4.734 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)CCC2 ZINC001164812889 720220196 /nfs/dbraw/zinc/22/01/96/720220196.db2.gz KCHYZOGTMQFHPN-UHFFFAOYSA-N 1 0 496.389 4.894 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1C ZINC001164813875 720236949 /nfs/dbraw/zinc/23/69/49/720236949.db2.gz QUKVWQMUOYQOKY-UHFFFAOYSA-N 1 0 494.690 4.844 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164815783 720259574 /nfs/dbraw/zinc/25/95/74/720259574.db2.gz FBPJJJBTHDTFSN-ZLNRFVROSA-N 1 0 453.656 4.553 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC001164825002 720337304 /nfs/dbraw/zinc/33/73/04/720337304.db2.gz IKYTYQYRDNVDIF-RPBOFIJWSA-N 1 0 490.051 4.862 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC001164827968 720337311 /nfs/dbraw/zinc/33/73/11/720337311.db2.gz NIHJKWCDTVEFEJ-RRPNLBNLSA-N 1 0 454.618 4.813 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC001164821487 720338603 /nfs/dbraw/zinc/33/86/03/720338603.db2.gz AMJOQTXARQQHKB-FGZHOGPDSA-N 1 0 496.080 4.923 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164826746 720339362 /nfs/dbraw/zinc/33/93/62/720339362.db2.gz KZKHTJDJIUVUIR-PMACEKPBSA-N 1 0 495.718 4.948 20 0 JJADRO Cc1sc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1-c1ccccc1 ZINC001164831619 720339503 /nfs/dbraw/zinc/33/95/03/720339503.db2.gz ZFIDEUCCCRHLBQ-VXKWHMMOSA-N 1 0 475.662 4.578 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)CC1 ZINC001164830599 720348513 /nfs/dbraw/zinc/34/85/13/720348513.db2.gz WCNKZKAEFWYNDD-NSOVKSMOSA-N 1 0 497.643 4.847 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164732424 720439395 /nfs/dbraw/zinc/43/93/95/720439395.db2.gz NHMOEJSFVWQWNN-FGZHOGPDSA-N 1 0 462.667 4.542 20 0 JJADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164735947 720460011 /nfs/dbraw/zinc/46/00/11/720460011.db2.gz ZTZXVCDRDUOJOL-FCHUYYIVSA-N 1 0 457.603 4.753 20 0 JJADRO O[C@@H]1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@H]1Cc1ccccc1 ZINC001164834763 720490573 /nfs/dbraw/zinc/49/05/73/720490573.db2.gz UPFCQBWLFBOUCJ-IZZNHLLZSA-N 1 0 490.047 4.939 20 0 JJADRO COc1cc(Oc2ccnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2)ccc1OCc1ccccc1 ZINC001164735131 720520754 /nfs/dbraw/zinc/52/07/54/720520754.db2.gz UOTJJSLSPWQKCO-HSZRJFAPSA-N 1 0 499.615 4.856 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833274 720520847 /nfs/dbraw/zinc/52/08/47/720520847.db2.gz CPBYNKUZGCEFKV-TXPKVOOTSA-N 1 0 478.950 4.542 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4scc(-c5cccs5)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833294 720523309 /nfs/dbraw/zinc/52/33/09/720523309.db2.gz CYENEJKMEKMPIS-WSTZPKSXSA-N 1 0 464.664 4.994 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4scc(-c5ccccc5)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832468 720523355 /nfs/dbraw/zinc/52/33/55/720523355.db2.gz AVWXHCJLVKRGFB-FUPPJEDESA-N 1 0 458.635 4.933 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838441 720537418 /nfs/dbraw/zinc/53/74/18/720537418.db2.gz NWAGFLIOJBYTLR-KKUQBAQOSA-N 1 0 479.632 4.780 20 0 JJADRO CSc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1Cl ZINC001164837396 720557679 /nfs/dbraw/zinc/55/76/79/720557679.db2.gz MFSQJVHOWIFWGD-YESZJQIVSA-N 1 0 456.006 4.576 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834202 720565749 /nfs/dbraw/zinc/56/57/49/720565749.db2.gz CQZZBNDRRSWOJO-QHAWAJNXSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc(Cc4ccccc4)c4ccccc43)CC[C@@H]21 ZINC001164844114 720597228 /nfs/dbraw/zinc/59/72/28/720597228.db2.gz YSMOSXOULCVUTR-NYULUDCUSA-N 1 0 466.633 4.795 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nnc(Cc4ccccc4)c4ccccc43)CC[C@@H]21 ZINC001164844115 720598613 /nfs/dbraw/zinc/59/86/13/720598613.db2.gz YSMOSXOULCVUTR-QONNDPFASA-N 1 0 466.633 4.795 20 0 JJADRO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cccn6)[N@@H+]5C(C)C)C4)c23)cc1 ZINC001164843513 720601150 /nfs/dbraw/zinc/60/11/50/720601150.db2.gz XOKKSTZAZCMTQT-PQNGQFLHSA-N 1 0 488.661 4.941 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(F)ccc3Oc3ccc(Cl)nn3)CC[C@@H]21 ZINC001164839739 720602147 /nfs/dbraw/zinc/60/21/47/720602147.db2.gz OGLNHXCWZOMVEA-HOJAQTOUSA-N 1 0 470.980 4.636 20 0 JJADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164836140 720605662 /nfs/dbraw/zinc/60/56/62/720605662.db2.gz DVPPBORPQPWQJQ-RJGXRXQPSA-N 1 0 487.677 4.944 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC[C@@H]21 ZINC001164836165 720611795 /nfs/dbraw/zinc/61/17/95/720611795.db2.gz DYXOIFQPAYWQHJ-RRPUWOKSSA-N 1 0 486.998 4.916 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4ccc(Cl)nn4)ccc3F)CC[C@@H]21 ZINC001164837732 720620457 /nfs/dbraw/zinc/62/04/57/720620457.db2.gz ISKUOSITHKREGK-DXIQSLLYSA-N 1 0 454.981 4.510 20 0 JJADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1 ZINC001164840456 720643323 /nfs/dbraw/zinc/64/33/23/720643323.db2.gz MPUNEOIEVQIQDJ-NNMXDRDESA-N 1 0 483.016 4.505 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164845433 720683599 /nfs/dbraw/zinc/68/35/99/720683599.db2.gz ZQWWGELPGPOGHW-QHCPKHFHSA-N 1 0 463.025 4.981 20 0 JJADRO COc1cc2c(cc1Cl)ncnc2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843771 720691499 /nfs/dbraw/zinc/69/14/99/720691499.db2.gz QTYLMIKGVDRQIE-LJQANCHMSA-N 1 0 452.986 4.552 20 0 JJADRO COc1cc2nc(Cl)c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2cc1OC ZINC001164841860 720692574 /nfs/dbraw/zinc/69/25/74/720692574.db2.gz JOJNESVLNUKNJA-IBGZPJMESA-N 1 0 483.012 4.560 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164841292 720695548 /nfs/dbraw/zinc/69/55/48/720695548.db2.gz ISYDSPSPGJICAE-OAQYLSRUSA-N 1 0 471.045 4.523 20 0 JJADRO CCOC(=O)c1cc2c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164842767 720697340 /nfs/dbraw/zinc/69/73/40/720697340.db2.gz NDGXEQRLAAKTKF-QFIPXVFZSA-N 1 0 476.621 4.616 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)CC2 ZINC001164840887 720708901 /nfs/dbraw/zinc/70/89/01/720708901.db2.gz RLASGWUXLRKFEG-HXUWFJFHSA-N 1 0 492.624 4.565 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)CC2 ZINC001164837019 720710547 /nfs/dbraw/zinc/71/05/47/720710547.db2.gz CUTPMAJZFKTETH-OAQYLSRUSA-N 1 0 499.993 4.997 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CCc3ccccc31)CC2 ZINC001164837057 720711220 /nfs/dbraw/zinc/71/12/20/720711220.db2.gz DCFLFYWOVCGOAG-RUZDIDTESA-N 1 0 482.628 4.544 20 0 JJADRO CCOc1ccc(-c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164840911 720718418 /nfs/dbraw/zinc/71/84/18/720718418.db2.gz SIIBOCPFLABCPB-XMMPIXPASA-N 1 0 458.606 4.802 20 0 JJADRO COc1ccc(Cc2c(C)nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2C)cc1 ZINC001164838171 720724442 /nfs/dbraw/zinc/72/44/42/720724442.db2.gz HAVVYYPJNBTNBS-AREMUKBSSA-N 1 0 486.660 4.953 20 0 JJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838638 720738222 /nfs/dbraw/zinc/73/82/22/720738222.db2.gz UVMBRONPWULNIV-UHFFFAOYSA-N 1 0 450.748 4.836 20 0 JJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164845221 720742730 /nfs/dbraw/zinc/74/27/30/720742730.db2.gz XQGQEXBXNZTDJR-UHFFFAOYSA-N 1 0 480.950 4.791 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1Cl ZINC001164739206 720820201 /nfs/dbraw/zinc/82/02/01/720820201.db2.gz HSGBENPVIYIOPZ-BFHYXJOUSA-N 1 0 476.239 4.666 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c23)cc1 ZINC001164742871 720824176 /nfs/dbraw/zinc/82/41/76/720824176.db2.gz RBZJTFCWGZCXQZ-CQOQZXRMSA-N 1 0 485.661 4.638 20 0 JJADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741212 720834715 /nfs/dbraw/zinc/83/47/15/720834715.db2.gz DTEFHRBXWKLNNR-WWPJHQMMSA-N 1 0 494.643 4.785 20 0 JJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742476 720845227 /nfs/dbraw/zinc/84/52/27/720845227.db2.gz GQJUUSSFIWCYPU-JJRVBVJISA-N 1 0 491.801 4.558 20 0 JJADRO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2n1 ZINC001164751132 720856942 /nfs/dbraw/zinc/85/69/42/720856942.db2.gz QHMGHXUVKQLJGW-CMKODMSKSA-N 1 0 457.409 4.513 20 0 JJADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752897 720872441 /nfs/dbraw/zinc/87/24/41/720872441.db2.gz NJMNZAIAMYYYSG-AUSIDOKSSA-N 1 0 480.962 4.569 20 0 JJADRO Fc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164754591 720875709 /nfs/dbraw/zinc/87/57/09/720875709.db2.gz SBTCTMMHSFHSLW-AUSIDOKSSA-N 1 0 480.962 4.569 20 0 JJADRO Fc1cccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758789 720886428 /nfs/dbraw/zinc/88/64/28/720886428.db2.gz ZMMBKYORSBJLKI-FQRUVTKNSA-N 1 0 482.003 4.572 20 0 JJADRO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCCCC2 ZINC001164752514 720887704 /nfs/dbraw/zinc/88/77/04/720887704.db2.gz DVYLKYPPRROLML-CUNXSJBXSA-N 1 0 482.072 4.549 20 0 JJADRO Cc1cccc2c(Cl)nnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755040 720887730 /nfs/dbraw/zinc/88/77/30/720887730.db2.gz KKMXTKLQPXIJED-AJTFRIOCSA-N 1 0 478.040 4.742 20 0 JJADRO Clc1cccc(-c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)n1 ZINC001164749861 720890229 /nfs/dbraw/zinc/89/02/29/720890229.db2.gz ASXZXZNKQRHKQZ-QDPGVEIFSA-N 1 0 490.051 4.947 20 0 JJADRO c1cn(C2CCCC2)c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164757443 720893399 /nfs/dbraw/zinc/89/33/99/720893399.db2.gz USUYSICRRVVRTL-FUFSCUOVSA-N 1 0 486.664 4.697 20 0 JJADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164749795 720895260 /nfs/dbraw/zinc/89/52/60/720895260.db2.gz AQRAJWDUGYPLKT-QPPBQGQZSA-N 1 0 476.999 4.738 20 0 JJADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752553 720896324 /nfs/dbraw/zinc/89/63/24/720896324.db2.gz FDARFBKCNOQUPD-URXFXBBRSA-N 1 0 476.999 4.738 20 0 JJADRO COc1ccc2c(C)cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164757860 720896574 /nfs/dbraw/zinc/89/65/74/720896574.db2.gz VXSYVWXJFSFVSD-OUTSHDOLSA-N 1 0 472.633 4.702 20 0 JJADRO Cc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755639 720899568 /nfs/dbraw/zinc/89/95/68/720899568.db2.gz MHDJPBIWBUYEJJ-CUNXSJBXSA-N 1 0 478.040 4.742 20 0 JJADRO Cc1nc(C2CCCCC2)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753194 720905835 /nfs/dbraw/zinc/90/58/35/720905835.db2.gz QUIWQLMOZAQXMI-LITSAYRRSA-N 1 0 475.681 4.983 20 0 JJADRO Fc1cc2ncc(Cl)nc2cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747966 720918300 /nfs/dbraw/zinc/91/83/00/720918300.db2.gz FADJMVVVHUDXKT-FNZWTVRRSA-N 1 0 482.003 4.572 20 0 JJADRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2cccs2)n1 ZINC001164748563 720920523 /nfs/dbraw/zinc/92/05/23/720920523.db2.gz GYCRJHMCLHUHRV-WNCULLNHSA-N 1 0 475.662 4.664 20 0 JJADRO Fc1ccc2c(Cl)nnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164748049 720924605 /nfs/dbraw/zinc/92/46/05/720924605.db2.gz FJLNYDCHDZUAKS-RXFWQSSRSA-N 1 0 482.003 4.572 20 0 JJADRO Fc1ccc2c(Cl)nnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748047 720925135 /nfs/dbraw/zinc/92/51/35/720925135.db2.gz FJLNYDCHDZUAKS-IBVKSMDESA-N 1 0 482.003 4.572 20 0 JJADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754296 720929127 /nfs/dbraw/zinc/92/91/27/720929127.db2.gz WAUIJMXFZWSHEN-POURPWNDSA-N 1 0 499.659 4.514 20 0 JJADRO Fc1ccc2c(Cl)ncnc2c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754192 720937498 /nfs/dbraw/zinc/93/74/98/720937498.db2.gz UGHQHWDBGFJGDX-FQRUVTKNSA-N 1 0 482.003 4.572 20 0 JJADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164859680 721003150 /nfs/dbraw/zinc/00/31/50/721003150.db2.gz LFEXYEDUDFNPNM-GOSISDBHSA-N 1 0 469.703 4.768 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)[C@@H]2C ZINC001164858029 721014228 /nfs/dbraw/zinc/01/42/28/721014228.db2.gz FIETWGMYNLVAJS-MRXNPFEDSA-N 1 0 460.960 4.960 20 0 JJADRO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)no1 ZINC001164760009 721045875 /nfs/dbraw/zinc/04/58/75/721045875.db2.gz UFWHYIAHOUTYIA-UHFFFAOYSA-N 1 0 459.594 4.821 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164767421 721101048 /nfs/dbraw/zinc/10/10/48/721101048.db2.gz LSCFQPVYOZCCCR-OALUTQOASA-N 1 0 476.987 4.781 20 0 JJADRO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164864266 721104769 /nfs/dbraw/zinc/10/47/69/721104769.db2.gz FFSMXNJUXLCNIF-GOTSBHOMSA-N 1 0 471.992 4.825 20 0 JJADRO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864874 721106233 /nfs/dbraw/zinc/10/62/33/721106233.db2.gz GZTVSJMYJQKDIS-XZOQPEGZSA-N 1 0 471.992 4.825 20 0 JJADRO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867233 721118635 /nfs/dbraw/zinc/11/86/35/721118635.db2.gz XEMDSIKANXKKJX-VQTJNVASSA-N 1 0 478.021 4.886 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164772759 721123226 /nfs/dbraw/zinc/12/32/26/721123226.db2.gz WKWZUMQPBILBBD-JWQCQUIFSA-N 1 0 450.590 4.502 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc(-c5ccc(-c6ccccc6)cc5)n4)C[C@H]3C2)cn1 ZINC001164772786 721135259 /nfs/dbraw/zinc/13/52/59/721135259.db2.gz WXWGCZJSDGVWNQ-BJKOFHAPSA-N 1 0 486.023 4.551 20 0 JJADRO c1ccc(-c2ccc(-c3ccc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164876367 721163580 /nfs/dbraw/zinc/16/35/80/721163580.db2.gz LVUDVJZOHIXLLY-SVBPBHIXSA-N 1 0 463.585 4.685 20 0 JJADRO Clc1cccc(-c2nc3c(c(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164870317 721167869 /nfs/dbraw/zinc/16/78/69/721167869.db2.gz CNFHURPKLZXYDP-DHIUTWEWSA-N 1 0 476.024 4.551 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164870181 721193253 /nfs/dbraw/zinc/19/32/53/721193253.db2.gz UDOAMRKVFJQSLW-SFTDATJTSA-N 1 0 485.966 4.525 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164870175 721193924 /nfs/dbraw/zinc/19/39/24/721193924.db2.gz UDOAMRKVFJQSLW-LEWJYISDSA-N 1 0 485.966 4.525 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@@H]3C2)cn1 ZINC001164766981 721195155 /nfs/dbraw/zinc/19/51/55/721195155.db2.gz JVAORFUKCNFCHA-MOPGFXCFSA-N 1 0 465.026 4.704 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164771888 721201638 /nfs/dbraw/zinc/20/16/38/721201638.db2.gz RSQSIRVZFCBVQH-ROUUACIJSA-N 1 0 476.675 4.600 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164763384 721202096 /nfs/dbraw/zinc/20/20/96/721202096.db2.gz FQZFWEOZKGBZAY-RTBURBONSA-N 1 0 464.664 4.728 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164771889 721202346 /nfs/dbraw/zinc/20/23/46/721202346.db2.gz RSQSIRVZFCBVQH-ZWKOTPCHSA-N 1 0 476.675 4.600 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164765109 721220085 /nfs/dbraw/zinc/22/00/85/721220085.db2.gz HUHYXMAIBFBGPX-QUCCMNQESA-N 1 0 490.702 4.990 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)cnc2Cl)c1 ZINC001164763890 721246742 /nfs/dbraw/zinc/24/67/42/721246742.db2.gz NVXPTJVMCCTMTO-PMACEKPBSA-N 1 0 487.982 4.647 20 0 JJADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164762484 721247706 /nfs/dbraw/zinc/24/77/06/721247706.db2.gz LARDITWKIAHVEP-LEWJYISDSA-N 1 0 471.983 4.947 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@H]3C2)cn1 ZINC001164761461 721249280 /nfs/dbraw/zinc/24/92/80/721249280.db2.gz IMXIDCLBSAKNES-DLBZAZTESA-N 1 0 463.985 4.700 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164875829 721259577 /nfs/dbraw/zinc/25/95/77/721259577.db2.gz MKRIWIWWHWFPFB-IWVFXYMLSA-N 1 0 476.665 4.967 20 0 JJADRO COc1cccc2c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc(Cl)nc12 ZINC001164776437 721331618 /nfs/dbraw/zinc/33/16/18/721331618.db2.gz FKAZRLPRRQHXKK-VWLOTQADSA-N 1 0 471.001 4.621 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4ccc(F)cc43)C2)C1 ZINC001164778627 721343101 /nfs/dbraw/zinc/34/31/01/721343101.db2.gz NLFUCBQVAHCJGD-DEOSSOPVSA-N 1 0 458.965 4.751 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4c(Cl)ccnc43)C2)C1 ZINC001164778326 721348671 /nfs/dbraw/zinc/34/86/71/721348671.db2.gz MSVFHTMJPKFTPI-QHCPKHFHSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cccc(Cl)c43)C2)C1 ZINC001164779080 721350853 /nfs/dbraw/zinc/35/08/53/721350853.db2.gz QIXWMBPZHTYWMS-HSZRJFAPSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cccc(C)c43)C2)C1 ZINC001164786990 721373186 /nfs/dbraw/zinc/37/31/86/721373186.db2.gz WNWNWHQAWRMAHM-RUZDIDTESA-N 1 0 455.002 4.920 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4cc(F)c(Cl)cc43)C2)C1 ZINC001164784267 721373203 /nfs/dbraw/zinc/37/32/03/721373203.db2.gz RCNVMBIMSVTIHF-DEOSSOPVSA-N 1 0 458.965 4.751 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C3)O2)CC1 ZINC001164890497 721396336 /nfs/dbraw/zinc/39/63/36/721396336.db2.gz NQTPZXGHEBGFCX-ILBGXUMGSA-N 1 0 491.026 4.712 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890920 721408626 /nfs/dbraw/zinc/40/86/26/721408626.db2.gz UILZIDJKTXSIRE-PDDLMNHVSA-N 1 0 483.660 4.576 20 0 JJADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164786496 721418475 /nfs/dbraw/zinc/41/84/75/721418475.db2.gz PBOCHMJJYNKDEP-HOTGVXAUSA-N 1 0 487.000 4.743 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887713 721419734 /nfs/dbraw/zinc/41/97/34/721419734.db2.gz MNVBXRNOPHPDDI-QDPGVEIFSA-N 1 0 492.067 4.716 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164890540 721419958 /nfs/dbraw/zinc/41/99/58/721419958.db2.gz SZCZRXQPTNONJE-ZTOMLWHTSA-N 1 0 489.639 4.510 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c3ccccc32)cc1C ZINC001164890251 721433978 /nfs/dbraw/zinc/43/39/78/721433978.db2.gz CSMJMXNTEQUHPQ-SETSBSEESA-N 1 0 485.676 4.679 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1C ZINC001164898668 721434810 /nfs/dbraw/zinc/43/48/10/721434810.db2.gz WINMSNYVUOKIIF-RXFWQSSRSA-N 1 0 497.734 4.802 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164898711 721444313 /nfs/dbraw/zinc/44/43/13/721444313.db2.gz WPFDZLONRIQFBS-OFSOJUDTSA-N 1 0 499.659 4.701 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@H]3COCc3csc(C)n3)C2)nc1 ZINC001164787500 721445359 /nfs/dbraw/zinc/44/53/59/721445359.db2.gz XHJJPQDSKHWYCZ-FBILRYNDSA-N 1 0 470.683 4.986 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C3)O2)CC1 ZINC001164889721 721453594 /nfs/dbraw/zinc/45/35/94/721453594.db2.gz PNVHNNDNDDFDCD-AUSIDOKSSA-N 1 0 497.055 4.774 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164783720 721457820 /nfs/dbraw/zinc/45/78/20/721457820.db2.gz GCMZOBIJKIVBGJ-SFHVURJKSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164790024 721459311 /nfs/dbraw/zinc/45/93/11/721459311.db2.gz ZAKQXMXZTXLOAJ-GOSISDBHSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164785702 721460041 /nfs/dbraw/zinc/46/00/41/721460041.db2.gz MXJNDUDHBZBANZ-NRFANRHFSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164789285 721460057 /nfs/dbraw/zinc/46/00/57/721460057.db2.gz WLOPBJNEARHNKQ-OAQYLSRUSA-N 1 0 462.009 4.761 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164887945 721462017 /nfs/dbraw/zinc/46/20/17/721462017.db2.gz LBNMKAJFMWEOEL-BVAGGSTKSA-N 1 0 467.683 4.803 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164887948 721462054 /nfs/dbraw/zinc/46/20/54/721462054.db2.gz LBNMKAJFMWEOEL-OZXSUGGESA-N 1 0 467.683 4.803 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164789397 721462311 /nfs/dbraw/zinc/46/23/11/721462311.db2.gz XQFLFRKRXOBCBY-LJQANCHMSA-N 1 0 495.014 4.562 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164791744 721468417 /nfs/dbraw/zinc/46/84/17/721468417.db2.gz YIGQTVPMIPORLP-QFIPXVFZSA-N 1 0 489.035 4.670 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164786265 721470302 /nfs/dbraw/zinc/47/03/02/721470302.db2.gz AEGHSIRRZSJALZ-DEOSSOPVSA-N 1 0 482.694 4.503 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164788738 721470602 /nfs/dbraw/zinc/47/06/02/721470602.db2.gz JGRZOUAKBCISAE-FQEVSTJZSA-N 1 0 462.009 4.761 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(Cl)cccc3nc1Cl)CC2 ZINC001164791742 721471635 /nfs/dbraw/zinc/47/16/35/721471635.db2.gz YIBUCHCQKAGOJP-SFHVURJKSA-N 1 0 479.452 4.671 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3cc(Cl)ncc3cc1OC)CC2 ZINC001164791176 721474609 /nfs/dbraw/zinc/47/46/09/721474609.db2.gz UYMGWSFMWOBSHU-QFIPXVFZSA-N 1 0 474.045 4.631 20 0 JJADRO CCOc1cc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2cc1OCC ZINC001164792015 721495251 /nfs/dbraw/zinc/49/52/51/721495251.db2.gz JQKZNFWLGXAFEC-UHFFFAOYSA-N 1 0 461.610 4.703 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)CC2 ZINC001164791989 721496473 /nfs/dbraw/zinc/49/64/73/721496473.db2.gz IQBUPQCGPIWTEK-UHFFFAOYSA-N 1 0 456.034 4.539 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164792626 721496789 /nfs/dbraw/zinc/49/67/89/721496789.db2.gz SONIPBITLLGTJH-UHFFFAOYSA-N 1 0 456.034 4.539 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164796288 721497162 /nfs/dbraw/zinc/49/71/62/721497162.db2.gz PGLXUZMBSPIQMC-UHFFFAOYSA-N 1 0 468.964 4.732 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164795413 721499501 /nfs/dbraw/zinc/49/95/01/721499501.db2.gz GLUIUQVRHOPZCK-UHFFFAOYSA-N 1 0 456.638 4.896 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164796670 721499841 /nfs/dbraw/zinc/49/98/41/721499841.db2.gz VBMJJFNOSWEMJT-UHFFFAOYSA-N 1 0 450.590 4.968 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164796214 721507606 /nfs/dbraw/zinc/50/76/06/721507606.db2.gz PTZSAWRATQXUDG-JPYJTQIMSA-N 1 0 460.956 4.737 20 0 JJADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)CC[N@@H+]3C2)c1 ZINC001164910232 721561882 /nfs/dbraw/zinc/56/18/82/721561882.db2.gz WBHRVMZMWQTPHQ-TZIWHRDSSA-N 1 0 474.914 4.823 20 0 JJADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CC[N@@H+]3C2)c1 ZINC001164905946 721562110 /nfs/dbraw/zinc/56/21/10/721562110.db2.gz IEDRGGGXDDDLAN-CTNGQTDRSA-N 1 0 474.914 4.823 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3cnn(CC4CCOCC4)c3[C@H]2COCC)nc1 ZINC001164902192 721578703 /nfs/dbraw/zinc/57/87/03/721578703.db2.gz CHIVIIRJFHJNFE-IZZNHLLZSA-N 1 0 481.685 4.782 20 0 JJADRO Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C ZINC001164811495 721585352 /nfs/dbraw/zinc/58/53/52/721585352.db2.gz XUBIPKIWRIHLOX-KMDXXIMOSA-N 1 0 464.013 4.677 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@H]2CCCO[C@H]12 ZINC001164804132 721585992 /nfs/dbraw/zinc/58/59/92/721585992.db2.gz IXPVHWBNIXLIRU-MZKRTTBSSA-N 1 0 482.053 4.610 20 0 JJADRO FC1(F)CCN(c2ccc(-c3ccc(Cl)cc3)nn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904092 721586809 /nfs/dbraw/zinc/58/68/09/721586809.db2.gz CVQWJFNFEDNNTP-QHCPKHFHSA-N 1 0 455.940 4.930 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)nc1 ZINC001165009272 721692344 /nfs/dbraw/zinc/69/23/44/721692344.db2.gz OIYYWOYQCCMYCC-HAUPEQAHSA-N 1 0 477.653 4.816 20 0 JJADRO CCOC(=O)c1cnc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1Cl ZINC001164908489 721694279 /nfs/dbraw/zinc/69/42/79/721694279.db2.gz ZLJAPAOFZWMZKF-NRFANRHFSA-N 1 0 485.362 4.698 20 0 JJADRO FC1(F)CCN(c2nc(Cl)ncc2-c2ccccc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904810 721705972 /nfs/dbraw/zinc/70/59/72/721705972.db2.gz DFBDNTSJNXHAQM-QHCPKHFHSA-N 1 0 455.940 4.930 20 0 JJADRO Fc1ccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164904975 721709797 /nfs/dbraw/zinc/70/97/97/721709797.db2.gz GDKLWQIDHACTJG-SANMLTNESA-N 1 0 492.549 4.751 20 0 JJADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906197 721717225 /nfs/dbraw/zinc/71/72/25/721717225.db2.gz KWVCERMXNPTIEQ-NRFANRHFSA-N 1 0 495.908 4.841 20 0 JJADRO FC1(F)CCN(c2nc3ccccc3nc2N2CCCCC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904879 721722227 /nfs/dbraw/zinc/72/22/27/721722227.db2.gz FEGQMBKPMWHZEX-AREMUKBSSA-N 1 0 478.591 4.753 20 0 JJADRO Cc1nc2sc3c(c2c(N2CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907417 721723398 /nfs/dbraw/zinc/72/33/98/721723398.db2.gz RRMMNQBJAVBVAL-QHCPKHFHSA-N 1 0 455.578 4.621 20 0 JJADRO FC1(F)CCN(c2nccc(SCc3ccccc3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909828 721733425 /nfs/dbraw/zinc/73/34/25/721733425.db2.gz DVJSBXKQLCFEDG-DEOSSOPVSA-N 1 0 467.589 4.902 20 0 JJADRO COC(=O)c1ccc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c(Cl)n1 ZINC001165016939 721767748 /nfs/dbraw/zinc/76/77/48/721767748.db2.gz ZABBMGWWXVTWQA-UHFFFAOYSA-N 1 0 458.852 4.578 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164914715 721803412 /nfs/dbraw/zinc/80/34/12/721803412.db2.gz FALIAIAXUYYIEJ-QPPBQGQZSA-N 1 0 456.585 4.551 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@H]21 ZINC001165027231 721806852 /nfs/dbraw/zinc/80/68/52/721806852.db2.gz UOAIHIPZTUHPDE-WHSBFGAESA-N 1 0 489.067 4.778 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)C[C@H]21 ZINC001165029009 721815044 /nfs/dbraw/zinc/81/50/44/721815044.db2.gz YPHSXYUJYIJSLO-RMUDUWAUSA-N 1 0 470.596 4.751 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@H]21 ZINC001165027177 721816760 /nfs/dbraw/zinc/81/67/60/721816760.db2.gz SVGWXPDAIBFNIG-IOMROCGXSA-N 1 0 457.018 4.822 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C[C@@H]21 ZINC001165018824 721817806 /nfs/dbraw/zinc/81/78/06/721817806.db2.gz AOIJOWQRGIGYQP-ORYQWCPZSA-N 1 0 468.964 4.588 20 0 JJADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165026291 721821629 /nfs/dbraw/zinc/82/16/29/721821629.db2.gz OQJYEBNRMIHPMZ-CDXJDZJCSA-N 1 0 478.971 4.589 20 0 JJADRO COc1ccc2nc(C(F)(F)N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc(Cl)c2c1 ZINC001165026758 721825779 /nfs/dbraw/zinc/82/57/79/721825779.db2.gz QAUCNCRGQLDMRH-XUEUYAKLSA-N 1 0 487.982 4.969 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccccn4)nc4sccc43)C[C@@H]21 ZINC001165024128 721828834 /nfs/dbraw/zinc/82/88/34/721828834.db2.gz JTBPHZWNGLBXIM-AVCGJXAMSA-N 1 0 456.619 4.885 20 0 JJADRO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@H]5[C@H]4CC[N@H+]5CCN(C)C)c23)cc1 ZINC001164935057 721879990 /nfs/dbraw/zinc/87/99/90/721879990.db2.gz VERRTMCQHVIRBY-BJKOFHAPSA-N 1 0 484.673 4.943 20 0 JJADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929274 721889908 /nfs/dbraw/zinc/88/99/08/721889908.db2.gz AZJHOZUYSDWYAU-YADHBBJMSA-N 1 0 471.983 4.710 20 0 JJADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c(Cl)nn2)cc1 ZINC001164930385 721890301 /nfs/dbraw/zinc/89/03/01/721890301.db2.gz BQCJVLVJFJWXRD-FGZHOGPDSA-N 1 0 464.004 4.680 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC3)C2)cc1 ZINC001164940071 721921121 /nfs/dbraw/zinc/92/11/21/721921121.db2.gz YLOABXYUVSBQNM-UHFFFAOYSA-N 1 0 457.352 4.508 20 0 JJADRO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940002 721922268 /nfs/dbraw/zinc/92/22/68/721922268.db2.gz XWGNKKWIDQRUFF-UHFFFAOYSA-N 1 0 469.001 4.577 20 0 JJADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940967 721925114 /nfs/dbraw/zinc/92/51/14/721925114.db2.gz XLSYXJHOURSSHQ-UHFFFAOYSA-N 1 0 492.645 4.562 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c(Cl)nccc54)CC3)C2)cc1 ZINC001164940716 721930285 /nfs/dbraw/zinc/93/02/85/721930285.db2.gz YLNJRWCCWATCIO-UHFFFAOYSA-N 1 0 458.393 4.511 20 0 JJADRO CC[NH+](CC)C1CCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)CC1 ZINC001165052752 722005801 /nfs/dbraw/zinc/00/58/01/722005801.db2.gz ALGOBVPSCLIZMZ-UHFFFAOYSA-N 1 0 492.689 4.783 20 0 JJADRO c1csc(-c2csc3ncnc(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)c23)c1 ZINC001164958700 722054392 /nfs/dbraw/zinc/05/43/92/722054392.db2.gz FFBYKOSLLLZHNP-UHFFFAOYSA-N 1 0 477.659 4.934 20 0 JJADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960676 722061605 /nfs/dbraw/zinc/06/16/05/722061605.db2.gz GYDHVCMYLPQBOQ-UHFFFAOYSA-N 1 0 499.993 4.856 20 0 JJADRO Cc1cncc(COCc2cnc3n2CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)[C@H]3C)c1 ZINC001164966355 722062913 /nfs/dbraw/zinc/06/29/13/722062913.db2.gz RLOWIKSJYBCYLG-QHCPKHFHSA-N 1 0 494.643 4.838 20 0 JJADRO c1csc(-c2csc3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)c1 ZINC001164979121 722107792 /nfs/dbraw/zinc/10/77/92/722107792.db2.gz HBYAMRQMWIUATM-UYAOXDASSA-N 1 0 463.632 4.542 20 0 JJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971025 722111665 /nfs/dbraw/zinc/11/16/65/722111665.db2.gz BBZIBHHGUCJEMW-SIKLNZKXSA-N 1 0 458.940 4.555 20 0 JJADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975174 722129706 /nfs/dbraw/zinc/12/97/06/722129706.db2.gz FGAAFGPKTTZEDL-UWJYYQICSA-N 1 0 473.404 4.673 20 0 JJADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973984 722155767 /nfs/dbraw/zinc/15/57/67/722155767.db2.gz NUYBPVHSNNGFMV-URXFXBBRSA-N 1 0 480.012 4.607 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc1 ZINC001164992378 722186326 /nfs/dbraw/zinc/18/63/26/722186326.db2.gz WECIGBLAMSKCLR-UBFVSLLYSA-N 1 0 469.699 4.653 20 0 JJADRO Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001164991429 722189278 /nfs/dbraw/zinc/18/92/78/722189278.db2.gz QIEGRBAOZADUFH-UHFFFAOYSA-N 1 0 456.590 4.777 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccccc3)nc3ccc(Cl)cc31)CCC2 ZINC001165002561 722254373 /nfs/dbraw/zinc/25/43/73/722254373.db2.gz QDGVEQNJGTWITJ-UHFFFAOYSA-N 1 0 477.012 4.635 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3sc(-c4ccccc4)cc31)CCC2 ZINC001165002678 722255215 /nfs/dbraw/zinc/25/52/15/722255215.db2.gz SJYAFJAOIZOPKE-UHFFFAOYSA-N 1 0 483.041 4.697 20 0 JJADRO CC(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001359712183 1064261090 /nfs/dbraw/zinc/26/10/90/1064261090.db2.gz JJDPPBLDKCSSCN-UHFFFAOYSA-N 1 0 466.461 4.670 20 0 JJADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001359714960 1064263346 /nfs/dbraw/zinc/26/33/46/1064263346.db2.gz MJBCPNKFOAQOQA-JOCHJYFZSA-N 1 0 496.700 4.881 20 0 JJADRO CC(C)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359715578 1064263886 /nfs/dbraw/zinc/26/38/86/1064263886.db2.gz FJWSVIMHDBBPJI-HXUWFJFHSA-N 1 0 460.617 4.661 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001545857025 1064265492 /nfs/dbraw/zinc/26/54/92/1064265492.db2.gz NCOUGORGMNBUKJ-SFTDATJTSA-N 1 0 466.674 4.932 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359719120 1064266675 /nfs/dbraw/zinc/26/66/75/1064266675.db2.gz CTSNODSJBNIEEJ-HBMCJLEFSA-N 1 0 465.564 4.551 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545858940 1064267047 /nfs/dbraw/zinc/26/70/47/1064267047.db2.gz ABSNSDZGTLXWRM-ROUUACIJSA-N 1 0 498.638 4.652 20 0 JJADRO CC(C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001359720268 1064267895 /nfs/dbraw/zinc/26/78/95/1064267895.db2.gz MNYXJFYIFVBGOL-HXUWFJFHSA-N 1 0 465.646 4.813 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001545865531 1064273781 /nfs/dbraw/zinc/27/37/81/1064273781.db2.gz DXIJUQPQWZUJFS-QFIPXVFZSA-N 1 0 458.695 4.620 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001359728458 1064276022 /nfs/dbraw/zinc/27/60/22/1064276022.db2.gz DEPDNSDCAMPJKY-QHCPKHFHSA-N 1 0 452.691 4.660 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)C2CCCC2)C1 ZINC001359728636 1064276424 /nfs/dbraw/zinc/27/64/24/1064276424.db2.gz HOWJFYPIPGEUGG-GOSISDBHSA-N 1 0 477.495 4.793 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001545867436 1064277441 /nfs/dbraw/zinc/27/74/41/1064277441.db2.gz BPYGJFORNGLDGH-YADHBBJMSA-N 1 0 472.722 4.581 20 0 JJADRO CC(C)[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001359729257 1064279123 /nfs/dbraw/zinc/27/91/23/1064279123.db2.gz VXFXHMIEHUVWBO-QFIPXVFZSA-N 1 0 489.108 4.853 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001545870232 1064282659 /nfs/dbraw/zinc/28/26/59/1064282659.db2.gz JHETYALOQGEZKX-YADHBBJMSA-N 1 0 480.701 4.701 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC)(CC)C2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001545874580 1064291289 /nfs/dbraw/zinc/29/12/89/1064291289.db2.gz WKHUUTBDJVLLFT-UHFFFAOYSA-N 1 0 490.762 4.575 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCc1ccsc1 ZINC001545875802 1064292138 /nfs/dbraw/zinc/29/21/38/1064292138.db2.gz HCOWRYSPFAHZIN-UHFFFAOYSA-N 1 0 486.730 4.593 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCC=C(C)C ZINC001545875636 1064292152 /nfs/dbraw/zinc/29/21/52/1064292152.db2.gz BXNQQZWMBVFZCG-UHFFFAOYSA-N 1 0 458.695 4.645 20 0 JJADRO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001359734512 1064293683 /nfs/dbraw/zinc/29/36/83/1064293683.db2.gz VJYBVJSUBWRRMC-MSOLQXFVSA-N 1 0 496.519 4.631 20 0 JJADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545879702 1064294599 /nfs/dbraw/zinc/29/45/99/1064294599.db2.gz DKBXDXYQIBGGKN-RBBKRZOGSA-N 1 0 451.394 4.636 20 0 JJADRO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001359737614 1064298857 /nfs/dbraw/zinc/29/88/57/1064298857.db2.gz BOLYBORLGBUPOP-FUPPJEDESA-N 1 0 488.721 4.938 20 0 JJADRO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[NH+]2CCOCC2)C1 ZINC001359738889 1064303787 /nfs/dbraw/zinc/30/37/87/1064303787.db2.gz GSMFGSDMPWOHMK-GOSISDBHSA-N 1 0 466.457 4.847 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001359738962 1064304474 /nfs/dbraw/zinc/30/44/74/1064304474.db2.gz HYXADLVKNCKPOK-UWJYYQICSA-N 1 0 489.437 4.960 20 0 JJADRO CC(C)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001359739465 1064307313 /nfs/dbraw/zinc/30/73/13/1064307313.db2.gz UUYAGACAFIOZLT-UHFFFAOYSA-N 1 0 473.109 4.745 20 0 JJADRO CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001359739511 1064307904 /nfs/dbraw/zinc/30/79/04/1064307904.db2.gz VWHYIOOOQAWXTM-SIKLNZKXSA-N 1 0 485.474 4.831 20 0 JJADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001434880363 1064312966 /nfs/dbraw/zinc/31/29/66/1064312966.db2.gz CBBSMMPXFUXMRL-UGKGYDQZSA-N 1 0 451.014 4.945 20 0 JJADRO CC(C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCCC1 ZINC001359744257 1064315687 /nfs/dbraw/zinc/31/56/87/1064315687.db2.gz CLRFZSZXRTYTSV-VWLOTQADSA-N 1 0 453.675 4.892 20 0 JJADRO CC(C)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001359744799 1064317099 /nfs/dbraw/zinc/31/70/99/1064317099.db2.gz SNLFEJOPBLRYKB-UHFFFAOYSA-N 1 0 453.675 4.872 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001359746661 1064324975 /nfs/dbraw/zinc/32/49/75/1064324975.db2.gz KVTCSEUUYMQJBA-VQTJNVASSA-N 1 0 460.047 4.824 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)CCS1 ZINC001359747477 1064328147 /nfs/dbraw/zinc/32/81/47/1064328147.db2.gz CJMHSLGWGYUOCG-SIKLNZKXSA-N 1 0 496.096 4.552 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](C)[NH+]2CCCCC2)CCS1 ZINC001359747584 1064329709 /nfs/dbraw/zinc/32/97/09/1064329709.db2.gz DZCNYAUIWQQPDV-UYAOXDASSA-N 1 0 463.095 4.836 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC001359747914 1064331406 /nfs/dbraw/zinc/33/14/06/1064331406.db2.gz KXYMLWFAFPMAHE-XMSQKQJNSA-N 1 0 464.029 4.863 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC001359749355 1064337100 /nfs/dbraw/zinc/33/71/00/1064337100.db2.gz PFQKWDDSXREWQA-FCHUYYIVSA-N 1 0 471.074 4.874 20 0 JJADRO CC(C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001359752796 1064341551 /nfs/dbraw/zinc/34/15/51/1064341551.db2.gz XZVDROWBDXLXRU-GOTSBHOMSA-N 1 0 477.669 4.845 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC(C)(C)C[NH+]2CCCC2)CCS1 ZINC001359753309 1064342201 /nfs/dbraw/zinc/34/22/01/1064342201.db2.gz HEESJODHNDVHIT-JOCHJYFZSA-N 1 0 459.679 4.708 20 0 JJADRO CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC[C@@H](C)[NH+]2CCCCC2)CCS1 ZINC001359755131 1064347341 /nfs/dbraw/zinc/34/73/41/1064347341.db2.gz SYJZGZSRCWOCPL-ISKFKSNPSA-N 1 0 471.715 4.742 20 0 JJADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(-c2cccc(Br)c2)no1 ZINC001434922805 1064351279 /nfs/dbraw/zinc/35/12/79/1064351279.db2.gz SJOLDVLIDSIOLQ-UHFFFAOYSA-N 1 0 458.381 4.905 20 0 JJADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001359756551 1064354156 /nfs/dbraw/zinc/35/41/56/1064354156.db2.gz UNPBLVUTVNLEPW-KVZCNWPJSA-N 1 0 483.701 4.578 20 0 JJADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4)c3)cc21 ZINC001434931493 1064358441 /nfs/dbraw/zinc/35/84/41/1064358441.db2.gz UDNVKIMXTMCPDB-UHFFFAOYSA-N 1 0 451.910 4.854 20 0 JJADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)cc1 ZINC001434948226 1064368893 /nfs/dbraw/zinc/36/88/93/1064368893.db2.gz ZXHNTWGFFUOMJX-UHFFFAOYSA-N 1 0 454.571 4.756 20 0 JJADRO CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359761419 1064371662 /nfs/dbraw/zinc/37/16/62/1064371662.db2.gz HFEUZBBQDXFXIS-DENIHFKCSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)CC(=O)Nc1cccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001359763190 1064378720 /nfs/dbraw/zinc/37/87/20/1064378720.db2.gz GVUHPCOHIUGQRS-UHFFFAOYSA-N 1 0 496.059 4.557 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(C1)CCCOC2)[NH+](C)C ZINC001359764871 1064385234 /nfs/dbraw/zinc/38/52/34/1064385234.db2.gz LBDRBYPHYXAVJQ-YPCDYVTLSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)CC(=O)Nc1cccc(Cn2c(N3CC[C@@H](C[NH+]4CCCCC4)C3)nnc2C(C)(C)C)c1 ZINC001359765010 1064385950 /nfs/dbraw/zinc/38/59/50/1064385950.db2.gz OAPSYOVQBCFNSF-QHCPKHFHSA-N 1 0 480.701 4.921 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2oncc2C1)[NH+](C)C ZINC001359764944 1064386053 /nfs/dbraw/zinc/38/60/53/1064386053.db2.gz MOHCBJUMSXAKHZ-YLJYHZDGSA-N 1 0 473.021 4.599 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1)[NH+](C)C ZINC001359765857 1064388978 /nfs/dbraw/zinc/38/89/78/1064388978.db2.gz CZSICPVUMBKBHM-DHIUTWEWSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(C1)CCOCC2)[NH+](C)C ZINC001359765762 1064388989 /nfs/dbraw/zinc/38/89/89/1064388989.db2.gz BDVHQCAPGAFBHJ-HXUWFJFHSA-N 1 0 477.600 4.530 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(C1)CCCOC2)[NH+](C)C ZINC001359766094 1064390052 /nfs/dbraw/zinc/39/00/52/1064390052.db2.gz HZNFXYXJAGIYFX-YADARESESA-N 1 0 464.029 4.721 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCOC1)[NH+](C)C ZINC001359766048 1064390256 /nfs/dbraw/zinc/39/02/56/1064390256.db2.gz HHXVPPBKYOWQAU-RTBURBONSA-N 1 0 478.479 4.547 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC2(CCOCC2)C1)[NH+](C)C ZINC001359766313 1064391040 /nfs/dbraw/zinc/39/10/40/1064391040.db2.gz LGWWYHQZRMVJMI-NRFANRHFSA-N 1 0 478.106 4.677 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(Cl)nc2C1)[NH+](C)C ZINC001359766268 1064391119 /nfs/dbraw/zinc/39/11/19/1064391119.db2.gz KLVVWHIFJHZYCV-SFHVURJKSA-N 1 0 474.440 4.581 20 0 JJADRO CCCN(C(=O)C1(c2cncc(Br)c2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001434976519 1064392142 /nfs/dbraw/zinc/39/21/42/1064392142.db2.gz LTAXKLHQFYRKOJ-QFIPXVFZSA-N 1 0 456.428 4.779 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OCCC[C@H]2C1)[NH+](C)C ZINC001359766450 1064392732 /nfs/dbraw/zinc/39/27/32/1064392732.db2.gz NVLQGAKXIXVPTQ-KPLVRAHFSA-N 1 0 464.029 4.719 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC1COC(C)(C)OC1)[NH+](C)C ZINC001359766669 1064393639 /nfs/dbraw/zinc/39/36/39/1064393639.db2.gz RNTZIMRMQPBIEJ-NRFANRHFSA-N 1 0 469.630 4.503 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+](C)C ZINC001359767316 1064396123 /nfs/dbraw/zinc/39/61/23/1064396123.db2.gz FIZSHKURBPCGFR-LJQANCHMSA-N 1 0 452.647 4.797 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001359767422 1064396141 /nfs/dbraw/zinc/39/61/41/1064396141.db2.gz HNTIUHAPFJHHGO-RBUKOAKNSA-N 1 0 491.080 4.678 20 0 JJADRO CC(C)C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+](C)C ZINC001359768135 1064397229 /nfs/dbraw/zinc/39/72/29/1064397229.db2.gz UWWUXZHDPWZWRT-XUZZJYLKSA-N 1 0 463.674 4.980 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1)[NH+](C)C ZINC001359768439 1064397744 /nfs/dbraw/zinc/39/77/44/1064397744.db2.gz AKYDMOVHXYCLKK-RYRBGNSGSA-N 1 0 459.704 4.847 20 0 JJADRO CC(C)C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC=C(C(F)(F)F)CC1)[NH+](C)C ZINC001359768294 1064397769 /nfs/dbraw/zinc/39/77/69/1064397769.db2.gz XZGGYXCVLUDNGV-QFIPXVFZSA-N 1 0 487.574 4.806 20 0 JJADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(Br)ccc2C1)[NH+](C)C ZINC001359768633 1064398701 /nfs/dbraw/zinc/39/87/01/1064398701.db2.gz CMMHQKANPDUHDN-VXKWHMMOSA-N 1 0 490.490 4.821 20 0 JJADRO CC(C)C[C@H](Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1)[NH+](C)C ZINC001359768462 1064398749 /nfs/dbraw/zinc/39/87/49/1064398749.db2.gz ATOOWDDVICPOLK-FGZHOGPDSA-N 1 0 490.490 4.862 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC[C@H]1C)[NH+](C)C ZINC001359769322 1064399213 /nfs/dbraw/zinc/39/92/13/1064399213.db2.gz NTEZBJLNYLHLIV-WBADGQHESA-N 1 0 490.737 4.994 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC001359770216 1064400954 /nfs/dbraw/zinc/40/09/54/1064400954.db2.gz BFDLNUMATZBXQW-OAQYLSRUSA-N 1 0 498.050 4.922 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC001359770498 1064401924 /nfs/dbraw/zinc/40/19/24/1064401924.db2.gz GQDUCJMGFZCXIF-HXUWFJFHSA-N 1 0 459.013 4.669 20 0 JJADRO CC(C)C[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCc1cccs1)[NH+](C)C ZINC001359770472 1064401956 /nfs/dbraw/zinc/40/19/56/1064401956.db2.gz GHYMODYDOWYHMU-XXBNENTESA-N 1 0 469.655 4.507 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCc2cccc(Br)c2C1)[NH+](C)C ZINC001359770358 1064402014 /nfs/dbraw/zinc/40/20/14/1064402014.db2.gz DJLGMBDCWOLKLD-OAQYLSRUSA-N 1 0 497.485 4.565 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccccc2F)nnc1Nc1cnn([C@H]2CC2(F)F)c1)[NH+](C)C ZINC001359770773 1064402609 /nfs/dbraw/zinc/40/26/09/1064402609.db2.gz LOTQVRGFDGVUSI-QUCCMNQESA-N 1 0 461.536 4.505 20 0 JJADRO CC(C)C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1)[NH+](C)C ZINC001359771118 1064403674 /nfs/dbraw/zinc/40/36/74/1064403674.db2.gz QXSXOUJNRLTANC-OAQYLSRUSA-N 1 0 459.013 4.669 20 0 JJADRO CC(C)C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCO[C@@H](C)C1)[NH+](C)C ZINC001359771939 1064406806 /nfs/dbraw/zinc/40/68/06/1064406806.db2.gz GRCRJOKZKFQPNY-AZUAARDMSA-N 1 0 466.095 4.815 20 0 JJADRO Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1OCC(F)F ZINC001434992147 1064407386 /nfs/dbraw/zinc/40/73/86/1064407386.db2.gz WTOHRMCBFMVGEM-XZOQPEGZSA-N 1 0 451.517 4.888 20 0 JJADRO CC(C)C[C@@H](Cn1c(N2CCC(c3nc4ccccc4[nH]3)CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001359772036 1064407206 /nfs/dbraw/zinc/40/72/06/1064407206.db2.gz IFSJVCJBZAOBGZ-FQEVSTJZSA-N 1 0 451.663 4.812 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001359772248 1064407329 /nfs/dbraw/zinc/40/73/29/1064407329.db2.gz MAHMBKRHDTZYBL-MJGOQNOKSA-N 1 0 471.543 4.751 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)C1)[NH+](C)C ZINC001359772226 1064407385 /nfs/dbraw/zinc/40/73/85/1064407385.db2.gz LSCVIUSXNZAASQ-INIZCTEOSA-N 1 0 476.399 4.986 20 0 JJADRO CC(C)C[C@H](Cn1c(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001359772489 1064408231 /nfs/dbraw/zinc/40/82/31/1064408231.db2.gz QGJBOFVEQYTMOX-LEWJYISDSA-N 1 0 478.726 4.635 20 0 JJADRO CC(C)C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)C)C1)[NH+](C)C ZINC001359772386 1064408250 /nfs/dbraw/zinc/40/82/50/1064408250.db2.gz OPROTKYLQHRBSK-ZCYQVOJMSA-N 1 0 485.717 4.992 20 0 JJADRO CC(C)C[C@H](Cn1c(N2CCC[C@H]2c2cccs2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001359772542 1064409109 /nfs/dbraw/zinc/40/91/09/1064409109.db2.gz RLJPDLBFNJYYTQ-TYBLODHISA-N 1 0 475.703 4.698 20 0 JJADRO CC(C)C[C@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21)[NH+](C)C ZINC001359772827 1064409977 /nfs/dbraw/zinc/40/99/77/1064409977.db2.gz WUZRVIHMUMTQKF-TVYALGDOSA-N 1 0 453.675 4.891 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359775117 1064416399 /nfs/dbraw/zinc/41/63/99/1064416399.db2.gz IVFUHBTWDSFRPJ-LEWJYISDSA-N 1 0 453.631 4.921 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359775404 1064418083 /nfs/dbraw/zinc/41/80/83/1064418083.db2.gz PAGBWIWRXOBOTG-VXKWHMMOSA-N 1 0 482.673 4.751 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359776005 1064418502 /nfs/dbraw/zinc/41/85/02/1064418502.db2.gz ZOFDSKTYGYXXOW-YADHBBJMSA-N 1 0 482.673 4.751 20 0 JJADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CCSCC(F)(F)F ZINC001359777120 1064419769 /nfs/dbraw/zinc/41/97/69/1064419769.db2.gz BHBRNNIKGDAGAS-UHFFFAOYSA-N 1 0 469.621 4.873 20 0 JJADRO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCC[C@@H]1CCCCO1 ZINC001359777826 1064422207 /nfs/dbraw/zinc/42/22/07/1064422207.db2.gz RUWGVSJBOXEJSY-DQEYMECFSA-N 1 0 453.675 4.927 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001359779648 1064426024 /nfs/dbraw/zinc/42/60/24/1064426024.db2.gz SUTIHEVJQRUPKR-INIZCTEOSA-N 1 0 454.482 4.669 20 0 JJADRO CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359780204 1064428541 /nfs/dbraw/zinc/42/85/41/1064428541.db2.gz NLGYBRJQEGSHSH-ROUUACIJSA-N 1 0 485.570 4.770 20 0 JJADRO CC(C)Cc1nnc(N(C)CC2CCOCC2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359784036 1064435886 /nfs/dbraw/zinc/43/58/86/1064435886.db2.gz PQWMUAKBVHKASG-RDGATRHJSA-N 1 0 453.675 4.640 20 0 JJADRO CC(C)Cc1nnc(N(C)CCc2ccccc2F)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001359784944 1064438746 /nfs/dbraw/zinc/43/87/46/1064438746.db2.gz SZDVTHXRACELDD-UHFFFAOYSA-N 1 0 450.606 4.606 20 0 JJADRO CC(C)Cc1nnc(N(Cc2ccc(F)cc2F)C2CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359787239 1064442303 /nfs/dbraw/zinc/44/23/03/1064442303.db2.gz XHODEYWTHMZTDF-RTBURBONSA-N 1 0 475.628 4.812 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001359790695 1064447217 /nfs/dbraw/zinc/44/72/17/1064447217.db2.gz XNCTXEQJJWNTOL-JENIJYKNSA-N 1 0 471.593 4.531 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001359790697 1064447396 /nfs/dbraw/zinc/44/73/96/1064447396.db2.gz XNCTXEQJJWNTOL-LNLFQRSKSA-N 1 0 471.593 4.531 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001545888282 1064448380 /nfs/dbraw/zinc/44/83/80/1064448380.db2.gz FWWXBCDGNNPSRL-LJQANCHMSA-N 1 0 487.092 4.533 20 0 JJADRO CC(C)Cc1nnc(N2Cc3cccc(Br)c3C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359792767 1064449960 /nfs/dbraw/zinc/44/99/60/1064449960.db2.gz PDFXAZVBNCJRJT-GOSISDBHSA-N 1 0 460.464 4.880 20 0 JJADRO CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359793719 1064451925 /nfs/dbraw/zinc/45/19/25/1064451925.db2.gz QZFBTNYXXTWXGW-SXLOBPIMSA-N 1 0 459.685 4.869 20 0 JJADRO CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359793716 1064452049 /nfs/dbraw/zinc/45/20/49/1064452049.db2.gz QZFBTNYXXTWXGW-DFQSSKMNSA-N 1 0 459.685 4.869 20 0 JJADRO COC(=O)CSCc1cccc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001359795140 1064453640 /nfs/dbraw/zinc/45/36/40/1064453640.db2.gz HZINJMBKMUCDMA-LJQANCHMSA-N 1 0 456.608 4.598 20 0 JJADRO COc1ccc2c(c1)C[C@H](C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1)CO2 ZINC001435038673 1064454557 /nfs/dbraw/zinc/45/45/57/1064454557.db2.gz BYLGMERDSFOLGJ-VWLOTQADSA-N 1 0 458.602 4.816 20 0 JJADRO CCCc1noc2nc(CC)cc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)c(F)c3)c12 ZINC001435040484 1064457166 /nfs/dbraw/zinc/45/71/66/1064457166.db2.gz NZZMIEVZSWVICY-UHFFFAOYSA-N 1 0 453.562 4.660 20 0 JJADRO Cc1c(C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)nnn1-c1ccccc1 ZINC001435041613 1064458061 /nfs/dbraw/zinc/45/80/61/1064458061.db2.gz MYQUFAWOQOEUQQ-UHFFFAOYSA-N 1 0 453.590 4.759 20 0 JJADRO Cn1cnc(-c2ccc(C(=O)N(CCC[NH+](C)C)C(c3ccccc3)c3ccccc3)cc2)n1 ZINC001435045906 1064462060 /nfs/dbraw/zinc/46/20/60/1064462060.db2.gz ZQJZXYQXFRPJFF-UHFFFAOYSA-N 1 0 453.590 4.666 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359798643 1064462304 /nfs/dbraw/zinc/46/23/04/1064462304.db2.gz MHTYYYANEQQLOS-FCHUYYIVSA-N 1 0 490.737 4.871 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001359798903 1064463985 /nfs/dbraw/zinc/46/39/85/1064463985.db2.gz SQINWWUGDTXSBJ-DEOSSOPVSA-N 1 0 481.607 4.528 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359799162 1064464931 /nfs/dbraw/zinc/46/49/31/1064464931.db2.gz YJZQVIBGPIDMOQ-FGZHOGPDSA-N 1 0 490.737 4.871 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359800221 1064466764 /nfs/dbraw/zinc/46/67/64/1064466764.db2.gz DJACEIJEBKZQNQ-QFQXNSOFSA-N 1 0 471.665 4.688 20 0 JJADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001359800510 1064467914 /nfs/dbraw/zinc/46/79/14/1064467914.db2.gz HPIMBASIFMSBCA-DVECYGJZSA-N 1 0 460.066 4.564 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CCOc1ncccc1Cl ZINC001359801814 1064469650 /nfs/dbraw/zinc/46/96/50/1064469650.db2.gz BFXLWJFTVSILBS-OAQYLSRUSA-N 1 0 483.060 4.705 20 0 JJADRO COc1ccc(-c2nsc(NC(=O)c3ccccc3OCC[N@@H+]3CCCC[C@@H]3C)n2)cc1 ZINC001435054289 1064473050 /nfs/dbraw/zinc/47/30/50/1064473050.db2.gz AUTBCGNYEMJANL-KRWDZBQOSA-N 1 0 452.580 4.719 20 0 JJADRO CC(C)Cc1nnc(N2CCC(c3ccnn3C)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359804908 1064473498 /nfs/dbraw/zinc/47/34/98/1064473498.db2.gz HMJQXXCTXNNAMB-QFIPXVFZSA-N 1 0 463.674 4.505 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359807747 1064478137 /nfs/dbraw/zinc/47/81/37/1064478137.db2.gz BYDPMUSFFCEKIV-VWNXMTODSA-N 1 0 498.716 4.690 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359808570 1064480676 /nfs/dbraw/zinc/48/06/76/1064480676.db2.gz PNYGRIGPKKMNGS-CTNGQTDRSA-N 1 0 490.718 4.534 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001435062110 1064480790 /nfs/dbraw/zinc/48/07/90/1064480790.db2.gz DEFRIBBHPUIOEW-SIKLNZKXSA-N 1 0 451.355 4.595 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001435062105 1064480973 /nfs/dbraw/zinc/48/09/73/1064480973.db2.gz DEFRIBBHPUIOEW-DENIHFKCSA-N 1 0 451.355 4.595 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001359808873 1064481569 /nfs/dbraw/zinc/48/15/69/1064481569.db2.gz YVCGHSDQTZRVNT-HFZDXXHNSA-N 1 0 473.731 4.927 20 0 JJADRO CC(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC(C)(C)c1cccs1 ZINC001359808722 1064481714 /nfs/dbraw/zinc/48/17/14/1064481714.db2.gz UGLQQVZGIQBQLW-UHFFFAOYSA-N 1 0 473.731 4.845 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC001435063962 1064482672 /nfs/dbraw/zinc/48/26/72/1064482672.db2.gz MESPTFYWOVTKTG-UHFFFAOYSA-N 1 0 452.824 4.999 20 0 JJADRO CC(C)Cc1nnc(N2CCC(COc3ccccc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001359809468 1064483398 /nfs/dbraw/zinc/48/33/98/1064483398.db2.gz RJPUQJZUJGXPFW-UHFFFAOYSA-N 1 0 453.675 4.894 20 0 JJADRO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359811304 1064486569 /nfs/dbraw/zinc/48/65/69/1064486569.db2.gz KEWMQIKNCHZLKE-HXUWFJFHSA-N 1 0 462.086 4.536 20 0 JJADRO CC(C)Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](C)COCc1ccccc1 ZINC001359811974 1064488491 /nfs/dbraw/zinc/48/84/91/1064488491.db2.gz FKPWUHCMBXGWCK-QHCPKHFHSA-N 1 0 453.675 4.784 20 0 JJADRO CC(C)Cc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359815672 1064497119 /nfs/dbraw/zinc/49/71/19/1064497119.db2.gz RTTALELJSQEYRF-PSWAGMNNSA-N 1 0 467.702 4.723 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359815882 1064497991 /nfs/dbraw/zinc/49/79/91/1064497991.db2.gz YLNJBOHVBVOETL-ZFWHIUCFSA-N 1 0 488.120 4.824 20 0 JJADRO CC(C)Cc1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359817374 1064500079 /nfs/dbraw/zinc/50/00/79/1064500079.db2.gz CCPGWOBVPDAMGT-ISKFKSNPSA-N 1 0 453.675 4.783 20 0 JJADRO CC(C)Cc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359817506 1064500728 /nfs/dbraw/zinc/50/07/28/1064500728.db2.gz FYMFHCVXWZMTGW-LADGPHEKSA-N 1 0 475.722 4.542 20 0 JJADRO CC(C)Cc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359825937 1064508258 /nfs/dbraw/zinc/50/82/58/1064508258.db2.gz MELOIXWIUAKRMT-GOSISDBHSA-N 1 0 479.595 4.503 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359830133 1064512128 /nfs/dbraw/zinc/51/21/28/1064512128.db2.gz CIFFBGCSKJGHFA-YADHBBJMSA-N 1 0 471.694 4.878 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C[C@@](C)(O)c1cccs1 ZINC001359833193 1064517746 /nfs/dbraw/zinc/51/77/46/1064517746.db2.gz VKSVYMDQDQXVOU-PXDATVDWSA-N 1 0 459.704 4.538 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)c1ccccn1 ZINC001359833158 1064517813 /nfs/dbraw/zinc/51/78/13/1064517813.db2.gz UJWFESAEAGBIEV-QHCPKHFHSA-N 1 0 452.691 4.942 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001359833471 1064518867 /nfs/dbraw/zinc/51/88/67/1064518867.db2.gz YAUROBHHCOHPMJ-XZOQPEGZSA-N 1 0 484.689 4.615 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001359833468 1064519006 /nfs/dbraw/zinc/51/90/06/1064519006.db2.gz YAUROBHHCOHPMJ-DHIUTWEWSA-N 1 0 484.689 4.615 20 0 JJADRO CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001359835395 1064522747 /nfs/dbraw/zinc/52/27/47/1064522747.db2.gz WDZBSPCZEHMHPG-YADHBBJMSA-N 1 0 479.591 4.689 20 0 JJADRO CC(C)Cc1nnc(N2CCCC3(CCOCC3)C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359838537 1064525327 /nfs/dbraw/zinc/52/53/27/1064525327.db2.gz DFQIVZZBKKUQKU-QHCPKHFHSA-N 1 0 453.675 4.784 20 0 JJADRO CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359840988 1064527651 /nfs/dbraw/zinc/52/76/51/1064527651.db2.gz XSPVBQYRLJZQLK-UHFFFAOYSA-N 1 0 486.749 4.750 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2c(C)onc2-c2cccc(Cl)c2)cc1 ZINC001435127214 1064532845 /nfs/dbraw/zinc/53/28/45/1064532845.db2.gz CWLVFRYEBTZDIL-UHFFFAOYSA-N 1 0 455.942 4.594 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359851816 1064538826 /nfs/dbraw/zinc/53/88/26/1064538826.db2.gz FZUCVNUHZUPXFX-RTWAWAEBSA-N 1 0 492.634 4.942 20 0 JJADRO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359852678 1064540097 /nfs/dbraw/zinc/54/00/97/1064540097.db2.gz RXDOCEDLYHHYKB-OAQYLSRUSA-N 1 0 459.082 4.579 20 0 JJADRO CN1C(=O)C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@H]1c1cccc(Cl)c1 ZINC001435140938 1064541568 /nfs/dbraw/zinc/54/15/68/1064541568.db2.gz YJDWEGMBWYWBGC-ILBGXUMGSA-N 1 0 454.014 4.552 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1sccc1Br ZINC001359855370 1064542323 /nfs/dbraw/zinc/54/23/23/1064542323.db2.gz KGRGNXBEXXMRAE-UHFFFAOYSA-N 1 0 466.493 4.804 20 0 JJADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCO[C@H](C)c1ccccc1 ZINC001359855802 1064543485 /nfs/dbraw/zinc/54/34/85/1064543485.db2.gz SFQGOMBVNWSXEY-XZOQPEGZSA-N 1 0 453.675 4.955 20 0 JJADRO CSc1cccc(N(C(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)C2CC[NH+](C)CC2)c1 ZINC001435148043 1064547950 /nfs/dbraw/zinc/54/79/50/1064547950.db2.gz IVUHYOMLXAWPLI-SFHVURJKSA-N 1 0 452.546 4.629 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359859949 1064548598 /nfs/dbraw/zinc/54/85/98/1064548598.db2.gz KTEKKULUONMACM-UHFFFAOYSA-N 1 0 486.671 4.699 20 0 JJADRO CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359860063 1064548853 /nfs/dbraw/zinc/54/88/53/1064548853.db2.gz MFRUXUMRVUZOIR-UHFFFAOYSA-N 1 0 494.606 4.563 20 0 JJADRO CSc1cccc(N(C(=O)Cc2ccc(Br)cc2F)C2CC[NH+](C)CC2)c1 ZINC001435150283 1064550439 /nfs/dbraw/zinc/55/04/39/1064550439.db2.gz SVQCYWMJAVFBGM-UHFFFAOYSA-N 1 0 451.405 4.980 20 0 JJADRO CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359861278 1064551269 /nfs/dbraw/zinc/55/12/69/1064551269.db2.gz QCOHCYIVEIXDLY-JOCHJYFZSA-N 1 0 458.720 4.515 20 0 JJADRO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359861379 1064552425 /nfs/dbraw/zinc/55/24/25/1064552425.db2.gz TVTPFGAOAYRXCB-ZRZAMGCNSA-N 1 0 487.136 4.820 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001359864222 1064553988 /nfs/dbraw/zinc/55/39/88/1064553988.db2.gz IFDMZPDRDYGSOG-UNWVZKJWSA-N 1 0 459.704 4.873 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1CC[NH+]1CCCCC1 ZINC001359865523 1064555273 /nfs/dbraw/zinc/55/52/73/1064555273.db2.gz FUSDARIOPPDASU-NRFANRHFSA-N 1 0 466.457 4.847 20 0 JJADRO CC(C)C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)C(=O)OC(C)C ZINC001435160580 1064557006 /nfs/dbraw/zinc/55/70/06/1064557006.db2.gz VFOSBTMOYOXAGL-CERRFVOPSA-N 1 0 450.623 4.559 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359866398 1064557566 /nfs/dbraw/zinc/55/75/66/1064557566.db2.gz QLECMTSTLRHRSV-YIXXDRMTSA-N 1 0 453.675 4.883 20 0 JJADRO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359866503 1064558043 /nfs/dbraw/zinc/55/80/43/1064558043.db2.gz SQIALRKTAOFJHF-ZJSXRUAMSA-N 1 0 457.638 4.562 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001359877992 1064569026 /nfs/dbraw/zinc/56/90/26/1064569026.db2.gz FSJCRLOOERGZOU-VXKWHMMOSA-N 1 0 487.664 4.665 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001359878217 1064569478 /nfs/dbraw/zinc/56/94/78/1064569478.db2.gz HMOKNZGVKJALNA-KRWDZBQOSA-N 1 0 465.484 4.506 20 0 JJADRO CC(C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)C2CCCC2)C1 ZINC001359879308 1064571937 /nfs/dbraw/zinc/57/19/37/1064571937.db2.gz SWDCXFZONADIPN-GOSISDBHSA-N 1 0 477.495 4.793 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001359884735 1064579154 /nfs/dbraw/zinc/57/91/54/1064579154.db2.gz PZZZRUMJKOQFNR-PGRDOPGGSA-N 1 0 457.569 4.915 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)CC2(CSc3ccccc3)CC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001435190227 1064579511 /nfs/dbraw/zinc/57/95/11/1064579511.db2.gz WAPNSZACGZNQQN-JOCHJYFZSA-N 1 0 451.636 4.754 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001359885516 1064580129 /nfs/dbraw/zinc/58/01/29/1064580129.db2.gz BXVNRXIKWFSSRX-GMAHTHKFSA-N 1 0 457.638 4.989 20 0 JJADRO CC(C)C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001359887834 1064584632 /nfs/dbraw/zinc/58/46/32/1064584632.db2.gz YOOZCSAXKGNLSJ-NRFANRHFSA-N 1 0 457.638 4.991 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359891313 1064591500 /nfs/dbraw/zinc/59/15/00/1064591500.db2.gz ZHOZKSPWPXHJDF-JOCHJYFZSA-N 1 0 498.535 4.877 20 0 JJADRO CC(C)CC[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359891461 1064592121 /nfs/dbraw/zinc/59/21/21/1064592121.db2.gz RNIYJGCJOKRAAM-HHHXNRCGSA-N 1 0 466.674 4.591 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001435207472 1064592122 /nfs/dbraw/zinc/59/21/22/1064592122.db2.gz QCPDCQQSFCYOLK-IBGZPJMESA-N 1 0 451.014 4.808 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001359891471 1064592668 /nfs/dbraw/zinc/59/26/68/1064592668.db2.gz RSQHEXSARNTHNT-UXNJHFGPSA-N 1 0 489.108 4.881 20 0 JJADRO CC(C)CC[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359899496 1064605469 /nfs/dbraw/zinc/60/54/69/1064605469.db2.gz JCLQIAYVLJJOIY-MHZLTWQESA-N 1 0 487.664 4.638 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001359910857 1064627670 /nfs/dbraw/zinc/62/76/70/1064627670.db2.gz DPLADBPOWJMDDL-LJQANCHMSA-N 1 0 464.054 4.665 20 0 JJADRO Cn1cc(-c2cncc(C(=O)N(CCC[NH+](C)C)C(c3ccccc3)c3ccccc3)c2)cn1 ZINC001359913728 1064633076 /nfs/dbraw/zinc/63/30/76/1064633076.db2.gz LDRWADOOYDORNA-UHFFFAOYSA-N 1 0 453.590 4.666 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359914272 1064633875 /nfs/dbraw/zinc/63/38/75/1064633875.db2.gz DXRKZVKMTZXCJT-ROUUACIJSA-N 1 0 465.484 4.649 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359914979 1064635628 /nfs/dbraw/zinc/63/56/28/1064635628.db2.gz SHGDALIYHLPGPY-RTBURBONSA-N 1 0 478.479 4.689 20 0 JJADRO CC(C)CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359915091 1064636451 /nfs/dbraw/zinc/63/64/51/1064636451.db2.gz YVTDEIXDMZCZQE-LJQANCHMSA-N 1 0 472.522 4.689 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC001435261629 1064637574 /nfs/dbraw/zinc/63/75/74/1064637574.db2.gz PLWYUOXGIZPQML-FQQJKYKHSA-N 1 0 459.700 4.893 20 0 JJADRO CC(C)CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359920775 1064645118 /nfs/dbraw/zinc/64/51/18/1064645118.db2.gz IZBJHZLKKOMRBW-OALUTQOASA-N 1 0 463.617 4.517 20 0 JJADRO CC(C)CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359921550 1064647906 /nfs/dbraw/zinc/64/79/06/1064647906.db2.gz LRLMCAODKHYPJJ-VSKRKVRLSA-N 1 0 476.710 4.953 20 0 JJADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC001435270193 1064648484 /nfs/dbraw/zinc/64/84/84/1064648484.db2.gz BSCYZMWLKQFUTO-FQEVSTJZSA-N 1 0 450.608 4.751 20 0 JJADRO CC(C)CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC001359923167 1064650338 /nfs/dbraw/zinc/65/03/38/1064650338.db2.gz AFSXDCQLRZNFAK-HSZRJFAPSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)CCN(c1nnc(-c2ccccc2Cl)n1CC1(O)CC[NH+](C(C)C)CC1)C1CC1 ZINC001359923870 1064654391 /nfs/dbraw/zinc/65/43/91/1064654391.db2.gz ZNBAROSIVLMHCR-UHFFFAOYSA-N 1 0 460.066 4.849 20 0 JJADRO CC(C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001359933113 1064673015 /nfs/dbraw/zinc/67/30/15/1064673015.db2.gz CIVIPTNKENNZIB-PMACEKPBSA-N 1 0 477.072 4.779 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545890145 1064679882 /nfs/dbraw/zinc/67/98/82/1064679882.db2.gz RPRGSRHRBWFEGS-HBMCJLEFSA-N 1 0 498.691 4.827 20 0 JJADRO CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001359944405 1064691698 /nfs/dbraw/zinc/69/16/98/1064691698.db2.gz SBVDJRQWYCYMKJ-QFIPXVFZSA-N 1 0 483.701 4.890 20 0 JJADRO C[NH+](C)CCOc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 ZINC001359946354 1064694122 /nfs/dbraw/zinc/69/41/22/1064694122.db2.gz IQHTWIBXMKKWFL-LJAQVGFWSA-N 1 0 458.602 4.790 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCOC[C@H]2C)CC1 ZINC001359947281 1064695907 /nfs/dbraw/zinc/69/59/07/1064695907.db2.gz GBWKDRBZGBEHRM-GOSISDBHSA-N 1 0 464.029 4.721 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001359947760 1064697828 /nfs/dbraw/zinc/69/78/28/1064697828.db2.gz OXOSMFBDNYYWHQ-OALUTQOASA-N 1 0 491.522 4.896 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001359947876 1064698763 /nfs/dbraw/zinc/69/87/63/1064698763.db2.gz QLWYPTVXYOGBAO-HSZRJFAPSA-N 1 0 490.737 4.901 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CCOc3ccccc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001359948258 1064699236 /nfs/dbraw/zinc/69/92/36/1064699236.db2.gz LDONLUHQGBMNKN-UHFFFAOYSA-N 1 0 461.601 4.503 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001359948198 1064699347 /nfs/dbraw/zinc/69/93/47/1064699347.db2.gz JYBYAMJXUSIFAG-FQEVSTJZSA-N 1 0 489.655 4.909 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(CCOc3ccccc3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001359948331 1064700112 /nfs/dbraw/zinc/70/01/12/1064700112.db2.gz LUPCQNRFUVWHDV-PKTZIBPZSA-N 1 0 485.742 4.988 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359948989 1064701524 /nfs/dbraw/zinc/70/15/24/1064701524.db2.gz VGCMPDFTLLGLKI-BGYRXZFFSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccn3C)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001359948987 1064701623 /nfs/dbraw/zinc/70/16/23/1064701623.db2.gz VFGOVIFWDFGACE-UHFFFAOYSA-N 1 0 470.706 4.826 20 0 JJADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)CC1 ZINC001359950662 1064706633 /nfs/dbraw/zinc/70/66/33/1064706633.db2.gz MBSCWBNFRDKMNK-QHCPKHFHSA-N 1 0 488.721 4.954 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001435339314 1064709410 /nfs/dbraw/zinc/70/94/10/1064709410.db2.gz MZNAQRXZWVGSHP-OXQOHEQNSA-N 1 0 454.368 4.745 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001359952092 1064713295 /nfs/dbraw/zinc/71/32/95/1064713295.db2.gz MRGXUNBOLUWTGV-WIOPSUGQSA-N 1 0 469.674 4.716 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3[C@@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001545890376 1064714437 /nfs/dbraw/zinc/71/44/37/1064714437.db2.gz ZJSFCJCGHNPGHC-QFIPXVFZSA-N 1 0 480.701 4.832 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001359952337 1064714451 /nfs/dbraw/zinc/71/44/51/1064714451.db2.gz TWVNWPBWRLDCGN-URXFXBBRSA-N 1 0 481.641 4.881 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2(O)CCCC2)cc1 ZINC001359952320 1064714685 /nfs/dbraw/zinc/71/46/85/1064714685.db2.gz SVIGGSNLVASDDP-UHFFFAOYSA-N 1 0 469.674 4.642 20 0 JJADRO CC(C)CCOc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001359952338 1064714738 /nfs/dbraw/zinc/71/47/38/1064714738.db2.gz TWVNWPBWRLDCGN-XUZZJYLKSA-N 1 0 481.641 4.881 20 0 JJADRO COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1 ZINC001435351228 1064717203 /nfs/dbraw/zinc/71/72/03/1064717203.db2.gz YWFBDCFYXAALKJ-IBGZPJMESA-N 1 0 456.546 4.868 20 0 JJADRO CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001359954742 1064720961 /nfs/dbraw/zinc/72/09/61/1064720961.db2.gz ORUZEVRRYJVLSO-UHFFFAOYSA-N 1 0 490.092 4.741 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001435357363 1064721747 /nfs/dbraw/zinc/72/17/47/1064721747.db2.gz JHAHWAQSFPVGQF-JMUQELJHSA-N 1 0 450.558 4.847 20 0 JJADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001435360553 1064724232 /nfs/dbraw/zinc/72/42/32/1064724232.db2.gz MDSDWRBBTFTUBK-QFIPXVFZSA-N 1 0 451.558 4.614 20 0 JJADRO CC(C)CCOC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001359958614 1064728766 /nfs/dbraw/zinc/72/87/66/1064728766.db2.gz BJYQGUPDWJXORF-WHSBFGAESA-N 1 0 461.695 4.672 20 0 JJADRO C[C@H]1C[C@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001435379783 1064731195 /nfs/dbraw/zinc/73/11/95/1064731195.db2.gz TZVSKFZLEZJIBT-OXJNMPFZSA-N 1 0 454.368 4.887 20 0 JJADRO CC(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001359964029 1064737294 /nfs/dbraw/zinc/73/72/94/1064737294.db2.gz IPZSGRMOQCJDRI-UHFFFAOYSA-N 1 0 475.081 4.757 20 0 JJADRO CC(C)CCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001359964278 1064738481 /nfs/dbraw/zinc/73/84/81/1064738481.db2.gz QMQRGHANJKRQEF-UHFFFAOYSA-N 1 0 466.457 4.847 20 0 JJADRO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359966982 1064741994 /nfs/dbraw/zinc/74/19/94/1064741994.db2.gz IPCREKWZPSMGAF-VXNXHJTFSA-N 1 0 461.695 4.673 20 0 JJADRO CC(C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001359966872 1064742298 /nfs/dbraw/zinc/74/22/98/1064742298.db2.gz GSXUBBZULMSLEU-XMMPIXPASA-N 1 0 461.695 4.675 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359971068 1064747475 /nfs/dbraw/zinc/74/74/75/1064747475.db2.gz MHIJHEJRFUTMEG-HDICACEKSA-N 1 0 465.484 4.886 20 0 JJADRO CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359971070 1064747595 /nfs/dbraw/zinc/74/75/95/1064747595.db2.gz MHIJHEJRFUTMEG-ROUUACIJSA-N 1 0 465.484 4.886 20 0 JJADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001435421948 1064750006 /nfs/dbraw/zinc/75/00/06/1064750006.db2.gz MKCCBVIIQLIPFV-UHFFFAOYSA-N 1 0 452.349 4.509 20 0 JJADRO CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)C1CC[NH+](Cc3ccccc3)CC1)OCO2 ZINC001435431314 1064753180 /nfs/dbraw/zinc/75/31/80/1064753180.db2.gz WQKGSUJZTHOJFU-UHFFFAOYSA-N 1 0 453.539 4.613 20 0 JJADRO CN(C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001435448905 1064763581 /nfs/dbraw/zinc/76/35/81/1064763581.db2.gz GQTBYPCHOGSXTD-LJQANCHMSA-N 1 0 457.496 4.913 20 0 JJADRO CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC001359993034 1064776253 /nfs/dbraw/zinc/77/62/53/1064776253.db2.gz KIWXRWSGMAUYMR-HXUWFJFHSA-N 1 0 474.719 4.651 20 0 JJADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC001435471310 1064777028 /nfs/dbraw/zinc/77/70/28/1064777028.db2.gz JSWANBCUKQLEMD-HXUWFJFHSA-N 1 0 451.394 4.880 20 0 JJADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2csc(-c3ccc(Br)s3)n2)o1 ZINC001435472332 1064777428 /nfs/dbraw/zinc/77/74/28/1064777428.db2.gz QGQMCOVZJJLKDC-UHFFFAOYSA-N 1 0 454.415 4.740 20 0 JJADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1 ZINC001545891220 1064779521 /nfs/dbraw/zinc/77/95/21/1064779521.db2.gz VDCYHEKULPDMEJ-NRFANRHFSA-N 1 0 456.011 4.963 20 0 JJADRO COc1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001435481984 1064782812 /nfs/dbraw/zinc/78/28/12/1064782812.db2.gz HRJZEZVEKZQESC-XZOQPEGZSA-N 1 0 460.574 4.875 20 0 JJADRO CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001359997625 1064783288 /nfs/dbraw/zinc/78/32/88/1064783288.db2.gz MGWIKGUCEZFWHZ-UHFFFAOYSA-N 1 0 492.462 4.929 20 0 JJADRO CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001360004546 1064791281 /nfs/dbraw/zinc/79/12/81/1064791281.db2.gz ONXLALGTICOCMP-LJQANCHMSA-N 1 0 476.463 4.588 20 0 JJADRO O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001435501794 1064792215 /nfs/dbraw/zinc/79/22/15/1064792215.db2.gz FYRSCNAFUPUNMW-OAQYLSRUSA-N 1 0 451.299 4.688 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)c2ccccc2)C1 ZINC001360007380 1064794783 /nfs/dbraw/zinc/79/47/83/1064794783.db2.gz BWSVYVBUABOMMK-DHIUTWEWSA-N 1 0 489.668 4.533 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N(C)Cc2cnn(Cc3ccccc3)c2)C1 ZINC001360007689 1064795446 /nfs/dbraw/zinc/79/54/46/1064795446.db2.gz GDNBSOMOHXALGY-XMMPIXPASA-N 1 0 463.674 4.651 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2nsc3ccc(C)cc32)cc1Cl ZINC001435509059 1064795517 /nfs/dbraw/zinc/79/55/17/1064795517.db2.gz DIIKYBXFXBNXMB-UHFFFAOYSA-N 1 0 459.015 4.972 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)C1 ZINC001360007849 1064795732 /nfs/dbraw/zinc/79/57/32/1064795732.db2.gz HHZISFWEGFMFIX-FCHUYYIVSA-N 1 0 453.675 4.836 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2ccc(F)c3ccncc23)cc1Cl ZINC001435509706 1064796013 /nfs/dbraw/zinc/79/60/13/1064796013.db2.gz KGAFPHUEWVFQCO-UHFFFAOYSA-N 1 0 456.949 4.741 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360008109 1064796023 /nfs/dbraw/zinc/79/60/23/1064796023.db2.gz KYPHAQIUASZKDY-PMACEKPBSA-N 1 0 478.056 4.968 20 0 JJADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2ccc(OC)cc2Cl)cc1Cl ZINC001435510223 1064796685 /nfs/dbraw/zinc/79/66/85/1064796685.db2.gz OLBXCAGLLPUICJ-UHFFFAOYSA-N 1 0 452.382 4.716 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCC[C@H](c3noc(C(C)C)n3)C2)C1 ZINC001360008330 1064797233 /nfs/dbraw/zinc/79/72/33/1064797233.db2.gz PLAITASXSNUNNO-SFTDATJTSA-N 1 0 457.667 4.660 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360008659 1064798025 /nfs/dbraw/zinc/79/80/25/1064798025.db2.gz VFVURUKPEUKLRM-NFBKMPQASA-N 1 0 491.627 4.920 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360009573 1064799516 /nfs/dbraw/zinc/79/95/16/1064799516.db2.gz CFFRFXKXHAXSMJ-XZOQPEGZSA-N 1 0 474.093 4.753 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360009570 1064799630 /nfs/dbraw/zinc/79/96/30/1064799630.db2.gz CFFRFXKXHAXSMJ-DHIUTWEWSA-N 1 0 474.093 4.753 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccnc3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001360009864 1064799696 /nfs/dbraw/zinc/79/96/96/1064799696.db2.gz GUMLHSOXXZVFOY-FQEVSTJZSA-N 1 0 464.580 4.877 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001360010177 1064800571 /nfs/dbraw/zinc/80/05/71/1064800571.db2.gz LUXJNDUCCUGGOO-WFXMLNOXSA-N 1 0 483.554 4.608 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C1 ZINC001360009998 1064800905 /nfs/dbraw/zinc/80/09/05/1064800905.db2.gz IRULBMSZAUGPAW-AZUAARDMSA-N 1 0 479.591 4.594 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C2CCC2)C1 ZINC001360010204 1064801559 /nfs/dbraw/zinc/80/15/59/1064801559.db2.gz MJUXXAPYXRPHQI-NRFANRHFSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001360010464 1064802664 /nfs/dbraw/zinc/80/26/64/1064802664.db2.gz QFRXTVDYVLMLFL-CYFREDJKSA-N 1 0 485.639 4.833 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360010597 1064803393 /nfs/dbraw/zinc/80/33/93/1064803393.db2.gz SEPHMDACRUGRBR-SFTDATJTSA-N 1 0 460.066 4.829 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C3CCC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010736 1064804686 /nfs/dbraw/zinc/80/46/86/1064804686.db2.gz VHIBUDIPORAKAS-FCHUYYIVSA-N 1 0 488.721 4.607 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCC[C@@H]2C(C)C)C1 ZINC001360011314 1064805561 /nfs/dbraw/zinc/80/55/61/1064805561.db2.gz BRPAXQZUIVEESC-JTHBVZDNSA-N 1 0 457.638 4.989 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)C1 ZINC001360011814 1064807315 /nfs/dbraw/zinc/80/73/15/1064807315.db2.gz IVIZOHDULAIXKS-AUSIDOKSSA-N 1 0 475.628 4.800 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(N3CC[C@](O)(Cc4cccc(Cl)c4)C3)nnc2C(C)(C)C)C1 ZINC001360012060 1064807439 /nfs/dbraw/zinc/80/74/39/1064807439.db2.gz LOUJBDCUQDSZFX-CUNXSJBXSA-N 1 0 488.120 4.781 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CCC2CC2)C1 ZINC001360012208 1064808278 /nfs/dbraw/zinc/80/82/78/1064808278.db2.gz MSJRLYPLVORCIK-RJGXRXQPSA-N 1 0 488.721 4.653 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CCC2CC2)C1 ZINC001360012209 1064808432 /nfs/dbraw/zinc/80/84/32/1064808432.db2.gz MSJRLYPLVORCIK-ZLNRFVROSA-N 1 0 488.721 4.653 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N(C)Cc2ccco2)C1 ZINC001360012512 1064810231 /nfs/dbraw/zinc/81/02/31/1064810231.db2.gz RLYXXOBIHDEZMO-FQEVSTJZSA-N 1 0 455.578 4.594 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(N3CCC(C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001360012902 1064810949 /nfs/dbraw/zinc/81/09/49/1064810949.db2.gz ZBYGHHOWDUIPCE-YIXXDRMTSA-N 1 0 475.722 4.559 20 0 JJADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)CCC2CCOCC2)C1 ZINC001360012841 1064811414 /nfs/dbraw/zinc/81/14/14/1064811414.db2.gz XLBPFZFIELYYCQ-QHCPKHFHSA-N 1 0 459.704 4.551 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001360015043 1064813725 /nfs/dbraw/zinc/81/37/25/1064813725.db2.gz MSPARZVHBFBOBT-XLIONFOSSA-N 1 0 464.427 4.624 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001360017596 1064818520 /nfs/dbraw/zinc/81/85/20/1064818520.db2.gz GOLLNBVZOQETPL-UHFFFAOYSA-N 1 0 496.425 4.874 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360018628 1064820407 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YDOJBVSENXRAPA-UHFFFAOYSA-N 1 0 493.622 4.705 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[C@H]2CCCCO2)CC1 ZINC001360033529 1064835966 /nfs/dbraw/zinc/83/59/66/1064835966.db2.gz COZKLTMGJDMPQY-HXUWFJFHSA-N 1 0 496.483 4.901 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCC=CO2)CC1 ZINC001360033758 1064837058 /nfs/dbraw/zinc/83/70/58/1064837058.db2.gz JMCYWRPMIZKJKC-IBGZPJMESA-N 1 0 480.440 4.635 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@H](C)CC2)C1 ZINC001360034238 1064837938 /nfs/dbraw/zinc/83/79/38/1064837938.db2.gz CYRJWCOTZLGDSV-QUCCMNQESA-N 1 0 464.029 4.721 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](C)CC2)C1 ZINC001360034132 1064837964 /nfs/dbraw/zinc/83/79/64/1064837964.db2.gz BNVHVHSUVISDAR-DPLHUUCSSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001360034852 1064839466 /nfs/dbraw/zinc/83/94/66/1064839466.db2.gz YFQUOOGOINMSDW-WOJBJXKFSA-N 1 0 469.527 4.529 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360035522 1064840975 /nfs/dbraw/zinc/84/09/75/1064840975.db2.gz NSCIAXFEJCENDI-DHIUTWEWSA-N 1 0 490.092 4.739 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H]2C(C)C)C1 ZINC001360035517 1064841142 /nfs/dbraw/zinc/84/11/42/1064841142.db2.gz NRRLDAFMBOXBAC-ZWKOTPCHSA-N 1 0 496.519 4.751 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H]2CCC[C@H](C)C2)C1 ZINC001360036044 1064843150 /nfs/dbraw/zinc/84/31/50/1064843150.db2.gz RSRVTENZPWXMIE-HBMCJLEFSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360038199 1064848784 /nfs/dbraw/zinc/84/87/84/1064848784.db2.gz CJWOPINZTPFAPI-IFMALSPDSA-N 1 0 457.638 4.704 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC001435584726 1064849407 /nfs/dbraw/zinc/84/94/07/1064849407.db2.gz IDRFREWHAMOZDU-REWPJTCUSA-N 1 0 451.611 4.742 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CC3CCCC3)nnc2N(C)Cc2c(F)cccc2Cl)C1 ZINC001360038932 1064851375 /nfs/dbraw/zinc/85/13/75/1064851375.db2.gz IPKJOJFODSVICC-HXUWFJFHSA-N 1 0 478.056 4.797 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@@H](C)c2ccccc2)C1 ZINC001360039643 1064853225 /nfs/dbraw/zinc/85/32/25/1064853225.db2.gz QOBZLZXANMIFBP-BIGMCNFVSA-N 1 0 497.728 4.793 20 0 JJADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2cc3ccccc3o2)C1 ZINC001360039861 1064854135 /nfs/dbraw/zinc/85/41/35/1064854135.db2.gz NMUAJXAMTUJGAP-QFIPXVFZSA-N 1 0 453.631 4.606 20 0 JJADRO CC(C)COC(=O)N1CCCN(c2nnc(C3CCCC3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001360041674 1064857569 /nfs/dbraw/zinc/85/75/69/1064857569.db2.gz GFKOOUZJGDLKFX-OAQYLSRUSA-N 1 0 488.702 4.605 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)ccn2)ccc1Cl ZINC001435592946 1064858911 /nfs/dbraw/zinc/85/89/11/1064858911.db2.gz PHKGTPPGRCSIPH-UHFFFAOYSA-N 1 0 450.970 4.726 20 0 JJADRO CC(C)COC(=O)N1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001360044196 1064862205 /nfs/dbraw/zinc/86/22/05/1064862205.db2.gz QOHLRGKTALUVDE-JOCHJYFZSA-N 1 0 496.656 4.582 20 0 JJADRO CC(C)COC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360047167 1064867175 /nfs/dbraw/zinc/86/71/75/1064867175.db2.gz RNCCTYZECGZUOJ-HSZRJFAPSA-N 1 0 488.721 4.580 20 0 JJADRO CC(C)COC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360047168 1064867240 /nfs/dbraw/zinc/86/72/40/1064867240.db2.gz RNCCTYZECGZUOJ-QHCPKHFHSA-N 1 0 488.721 4.580 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1OC ZINC001435603718 1064867169 /nfs/dbraw/zinc/86/71/69/1064867169.db2.gz JLDWHOKEDLRHIH-JWQCQUIFSA-N 1 0 459.590 4.662 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001360056413 1064887201 /nfs/dbraw/zinc/88/72/01/1064887201.db2.gz CJIMLRJWNLOXAF-FGZHOGPDSA-N 1 0 487.664 4.931 20 0 JJADRO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC001360061703 1064901084 /nfs/dbraw/zinc/90/10/84/1064901084.db2.gz AKNBZHNQBWQLBB-YZUZCNPQSA-N 1 0 459.704 4.873 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001360061772 1064901894 /nfs/dbraw/zinc/90/18/94/1064901894.db2.gz BNYRORIMFJDPJL-RTWAWAEBSA-N 1 0 475.628 4.663 20 0 JJADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC001435644476 1064903767 /nfs/dbraw/zinc/90/37/67/1064903767.db2.gz YDNMUGKDMGDQML-UHFFFAOYSA-N 1 0 459.432 4.716 20 0 JJADRO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001360063891 1064904627 /nfs/dbraw/zinc/90/46/27/1064904627.db2.gz SUZSWEQHQGOHCL-SFTDATJTSA-N 1 0 475.628 4.519 20 0 JJADRO CCC[C@H]1CN(C(=O)c2ccccc2SCc2nc(C)no2)CC[N@@H+]1Cc1ccccc1 ZINC001435671806 1064925200 /nfs/dbraw/zinc/92/52/00/1064925200.db2.gz CGNYWFXUDXCVKV-NRFANRHFSA-N 1 0 450.608 4.797 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C[C@@H]2CCC3(CCOCC3)CO2)cc1)C[C@H]1CCCCO1 ZINC001435672342 1064925743 /nfs/dbraw/zinc/92/57/43/1064925743.db2.gz FTEQHRLUCCTERM-LOSJGSFVSA-N 1 0 458.643 4.771 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C[C@@H](n2cccn2)C(F)(F)F)cc1)C[C@@H]1CCCCO1 ZINC001435674749 1064927028 /nfs/dbraw/zinc/92/70/28/1064927028.db2.gz SGWQEDJGHFVNIG-LEWJYISDSA-N 1 0 452.521 4.795 20 0 JJADRO Cc1cc(C(=O)Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)nc(C(F)(F)F)n1 ZINC001435675349 1064927824 /nfs/dbraw/zinc/92/78/24/1064927824.db2.gz UKIUGBAREPEPJM-IBGZPJMESA-N 1 0 450.505 4.836 20 0 JJADRO CC(C)CSCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001360079450 1064933757 /nfs/dbraw/zinc/93/37/57/1064933757.db2.gz JKSLKTRVHACNEP-QFIPXVFZSA-N 1 0 462.107 4.976 20 0 JJADRO CC(C)CSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001360082964 1064944152 /nfs/dbraw/zinc/94/41/52/1064944152.db2.gz RERODDUWPWHKAG-SFHVURJKSA-N 1 0 463.095 4.693 20 0 JJADRO CC(C)CSCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001360083170 1064944813 /nfs/dbraw/zinc/94/48/13/1064944813.db2.gz ZELMVAOHGJWWOU-UHFFFAOYSA-N 1 0 452.672 4.661 20 0 JJADRO CC(=O)NCc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001360087248 1064952141 /nfs/dbraw/zinc/95/21/41/1064952141.db2.gz JFQCWHUHXBMGGC-IZZNHLLZSA-N 1 0 461.993 4.830 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)s2)cc1 ZINC001435725729 1064957506 /nfs/dbraw/zinc/95/75/06/1064957506.db2.gz LAPSGQTZNYTTFY-UHFFFAOYSA-N 1 0 450.608 4.910 20 0 JJADRO CC(C)N(C)C(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001360091944 1064959751 /nfs/dbraw/zinc/95/97/51/1064959751.db2.gz MDAGFRUZLCDMMG-UHFFFAOYSA-N 1 0 474.738 4.605 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1CCOCC1 ZINC001360092101 1064959774 /nfs/dbraw/zinc/95/97/74/1064959774.db2.gz SDJJVELYWSTJIV-UHFFFAOYSA-N 1 0 483.060 4.745 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCc2cnn(C)c2)CC1 ZINC001360092404 1064960797 /nfs/dbraw/zinc/96/07/97/1064960797.db2.gz DSXPFRVVCLEQFR-UHFFFAOYSA-N 1 0 470.065 4.521 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)CC1 ZINC001360092505 1064961499 /nfs/dbraw/zinc/96/14/99/1064961499.db2.gz IADNBMNECXEMNR-UHFFFAOYSA-N 1 0 485.421 4.638 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(C)CCCO2)CC1 ZINC001360092540 1064962326 /nfs/dbraw/zinc/96/23/26/1064962326.db2.gz JEBOGHVNZNCJJZ-XMMPIXPASA-N 1 0 490.490 4.833 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001360092703 1064963041 /nfs/dbraw/zinc/96/30/41/1064963041.db2.gz PCZIIZNHSQYKBS-NRFANRHFSA-N 1 0 498.716 4.815 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOC(F)F)CC1 ZINC001360092956 1064964557 /nfs/dbraw/zinc/96/45/57/1064964557.db2.gz YUWAZEHRZDPAFE-UHFFFAOYSA-N 1 0 455.981 4.784 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCCC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360094412 1064965063 /nfs/dbraw/zinc/96/50/63/1064965063.db2.gz AWHCPAQNUJWXQC-FQEVSTJZSA-N 1 0 476.710 4.748 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1 ZINC001360092967 1064965172 /nfs/dbraw/zinc/96/51/72/1064965172.db2.gz ZHCPIEWWLHZXCS-JOCHJYFZSA-N 1 0 461.601 4.890 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001360094650 1064966627 /nfs/dbraw/zinc/96/66/27/1064966627.db2.gz HSOWQKBVTYSMHJ-HSZRJFAPSA-N 1 0 488.721 4.892 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccco2)CC1 ZINC001360094876 1064967515 /nfs/dbraw/zinc/96/75/15/1064967515.db2.gz ODQVCMCUIAZIMI-UHFFFAOYSA-N 1 0 472.431 4.906 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC=CO2)CC1 ZINC001360095206 1064968264 /nfs/dbraw/zinc/96/82/64/1064968264.db2.gz AEDYMTNIKJHOKS-HSZRJFAPSA-N 1 0 474.049 4.760 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360095383 1064969220 /nfs/dbraw/zinc/96/92/20/1064969220.db2.gz HKKDVMXSPXMAJG-AZGAKELHSA-N 1 0 482.717 4.662 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCOc3ccccc32)CC1 ZINC001360095275 1064969297 /nfs/dbraw/zinc/96/92/97/1064969297.db2.gz CVODKLOQPPWIAP-JOCHJYFZSA-N 1 0 453.675 4.990 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)c2ccccc2F)CC1 ZINC001360095341 1064969350 /nfs/dbraw/zinc/96/93/50/1064969350.db2.gz GAYHUEGPJAECGG-UHFFFAOYSA-N 1 0 478.660 4.937 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2CCCc2ccccc2F)CC1 ZINC001360095301 1064969372 /nfs/dbraw/zinc/96/93/72/1064969372.db2.gz DUTJNNPWJVABKR-UHFFFAOYSA-N 1 0 464.633 4.592 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001360095381 1064969387 /nfs/dbraw/zinc/96/93/87/1064969387.db2.gz HKKDVMXSPXMAJG-AHWVRZQESA-N 1 0 482.717 4.662 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccncc2Cl)CC1 ZINC001360095645 1064970247 /nfs/dbraw/zinc/97/02/47/1064970247.db2.gz MRGMKIWPQWITFI-FYYLOGMGSA-N 1 0 489.108 4.850 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCSC(F)(F)F)CC1 ZINC001360096024 1064971800 /nfs/dbraw/zinc/97/18/00/1064971800.db2.gz VGKBBBPGNXEMLF-UHFFFAOYSA-N 1 0 473.584 4.818 20 0 JJADRO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749361 1064972298 /nfs/dbraw/zinc/97/22/98/1064972298.db2.gz MOPJGCZEYRLCQJ-YHEJKZAPSA-N 1 0 457.981 4.926 20 0 JJADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749530 1064973210 /nfs/dbraw/zinc/97/32/10/1064973210.db2.gz NSWDWOJUALHIMO-HOYKHHGWSA-N 1 0 458.002 4.878 20 0 JJADRO Cc1cc(Br)c(CC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC001435749998 1064973748 /nfs/dbraw/zinc/97/37/48/1064973748.db2.gz WPFBHIMJYSQTOG-DJJJIMSYSA-N 1 0 459.812 4.963 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360097867 1064976572 /nfs/dbraw/zinc/97/65/72/1064976572.db2.gz SJQSVMAIOFUHND-UZLBHIALSA-N 1 0 464.427 4.956 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001360098414 1064978176 /nfs/dbraw/zinc/97/81/76/1064978176.db2.gz RFZQUHMMASWQNV-UHFFFAOYSA-N 1 0 452.647 4.561 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCCC1 ZINC001360100724 1064979931 /nfs/dbraw/zinc/97/99/31/1064979931.db2.gz TYLXRVOECATXEZ-UHFFFAOYSA-N 1 0 476.710 4.749 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001360101685 1064981686 /nfs/dbraw/zinc/98/16/86/1064981686.db2.gz XPSLSDYKGLOBGP-UHFFFAOYSA-N 1 0 462.976 4.562 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360101496 1064981796 /nfs/dbraw/zinc/98/17/96/1064981796.db2.gz QRVCMEDTILHPPE-UHFFFAOYSA-N 1 0 455.956 4.951 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(Br)cc1 ZINC001360103343 1064983414 /nfs/dbraw/zinc/98/34/14/1064983414.db2.gz ILMCAEXYOPILCV-GOSISDBHSA-N 1 0 494.388 4.958 20 0 JJADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001360103796 1064983912 /nfs/dbraw/zinc/98/39/12/1064983912.db2.gz YCISTUQDJVZUAA-TZRRMPRUSA-N 1 0 487.664 4.644 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360104000 1064984845 /nfs/dbraw/zinc/98/48/45/1064984845.db2.gz GVBQKLQJEPJPNW-INIZCTEOSA-N 1 0 487.979 4.921 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360104001 1064984945 /nfs/dbraw/zinc/98/49/45/1064984945.db2.gz GVBQKLQJEPJPNW-MRXNPFEDSA-N 1 0 487.979 4.921 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001360104093 1064984968 /nfs/dbraw/zinc/98/49/68/1064984968.db2.gz JRUQRTGMXMLZIJ-UHFFFAOYSA-N 1 0 499.448 4.792 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001360103957 1064985129 /nfs/dbraw/zinc/98/51/29/1064985129.db2.gz FLDLYSQSTSHSPJ-UHFFFAOYSA-N 1 0 487.092 4.604 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001360104182 1064985159 /nfs/dbraw/zinc/98/51/59/1064985159.db2.gz MBCJVVOMRFDJLX-UHFFFAOYSA-N 1 0 477.838 4.733 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCCOC1 ZINC001360104579 1064985748 /nfs/dbraw/zinc/98/57/48/1064985748.db2.gz ULMVMCABTUHIOT-MRXNPFEDSA-N 1 0 484.870 4.564 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001360106445 1064987784 /nfs/dbraw/zinc/98/77/84/1064987784.db2.gz DALKEURCFLTFAW-FQEVSTJZSA-N 1 0 485.007 4.572 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001360106966 1064988672 /nfs/dbraw/zinc/98/86/72/1064988672.db2.gz XWIYURZYSLNKJE-OAQYLSRUSA-N 1 0 468.671 4.617 20 0 JJADRO CC(C)[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001360107038 1064989740 /nfs/dbraw/zinc/98/97/40/1064989740.db2.gz ZXUBGBKELDIUPI-JOCHJYFZSA-N 1 0 483.701 4.605 20 0 JJADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1cccs1 ZINC001360110314 1064991448 /nfs/dbraw/zinc/99/14/48/1064991448.db2.gz PCSMPUMJKZHGLO-LJQANCHMSA-N 1 0 490.718 4.992 20 0 JJADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001360109845 1064991534 /nfs/dbraw/zinc/99/15/34/1064991534.db2.gz JPPVDCYVELQPKF-JTHBVZDNSA-N 1 0 488.721 4.749 20 0 JJADRO CC(C)[N@H+](C)CCn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(Br)c1 ZINC001360110207 1064991629 /nfs/dbraw/zinc/99/16/29/1064991629.db2.gz LZQGRMLOPOLMDQ-UHFFFAOYSA-N 1 0 462.461 4.670 20 0 JJADRO CC(C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001360112750 1064994195 /nfs/dbraw/zinc/99/41/95/1064994195.db2.gz KZWWVSCQULNNPS-UHFFFAOYSA-N 1 0 455.578 4.518 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001360113925 1064996219 /nfs/dbraw/zinc/99/62/19/1064996219.db2.gz SUIGXGASKSLXKA-TUACAJSNSA-N 1 0 471.690 4.700 20 0 JJADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360114014 1064997339 /nfs/dbraw/zinc/99/73/39/1064997339.db2.gz WQFYOWOIYIZTHQ-RTBURBONSA-N 1 0 459.601 4.706 20 0 JJADRO CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001435810419 1065003949 /nfs/dbraw/zinc/00/39/49/1065003949.db2.gz ZASLCYDWXDVINR-QFIPXVFZSA-N 1 0 456.512 4.936 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001360122229 1065010794 /nfs/dbraw/zinc/01/07/94/1065010794.db2.gz AEYQQWHCAIALLG-UHFFFAOYSA-N 1 0 474.074 4.922 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCOCC2(CCC2)C1)C(C)C ZINC001360123009 1065013255 /nfs/dbraw/zinc/01/32/55/1065013255.db2.gz BEPLSCCSTPUEQD-UHFFFAOYSA-N 1 0 461.054 4.509 20 0 JJADRO CC(C)[NH+](CCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCCOC1)C(C)C ZINC001360125464 1065018270 /nfs/dbraw/zinc/01/82/70/1065018270.db2.gz LBNZQHFBCMSLLO-NRFANRHFSA-N 1 0 452.647 4.798 20 0 JJADRO CC(C)[NH+](CCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)C(C)C ZINC001360125806 1065018831 /nfs/dbraw/zinc/01/88/31/1065018831.db2.gz WDZKXICWHCLGHK-ZEQRLZLVSA-N 1 0 491.627 4.885 20 0 JJADRO Cc1cc(Br)c(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC001435842914 1065019489 /nfs/dbraw/zinc/01/94/89/1065019489.db2.gz WIGABCQOJDWSDK-UHFFFAOYSA-N 1 0 450.808 4.952 20 0 JJADRO CC(C)[NH+](CCCn1c(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)C(C)C ZINC001360126212 1065019895 /nfs/dbraw/zinc/01/98/95/1065019895.db2.gz KTBPRHJSWMIMLM-OAQYLSRUSA-N 1 0 478.726 4.826 20 0 JJADRO CC(C)[NH+](CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)C(C)C ZINC001360128102 1065021505 /nfs/dbraw/zinc/02/15/05/1065021505.db2.gz ABJSBJABPYNMHS-DHIUTWEWSA-N 1 0 476.065 4.870 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)C(C)C ZINC001360128334 1065022093 /nfs/dbraw/zinc/02/20/93/1065022093.db2.gz GJLOQKVBVCHUDD-GOSISDBHSA-N 1 0 487.014 4.790 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)C(C)C ZINC001360128307 1065022109 /nfs/dbraw/zinc/02/21/09/1065022109.db2.gz DIMNYZRIHUMJPY-UHFFFAOYSA-N 1 0 486.611 4.728 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nccs2)C1)C(C)C ZINC001360128177 1065022181 /nfs/dbraw/zinc/02/21/81/1065022181.db2.gz CMKFWNZNYIPTEJ-HXUWFJFHSA-N 1 0 475.062 4.752 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC[C@H](C2CCC2)C1)C(C)C ZINC001360128482 1065022712 /nfs/dbraw/zinc/02/27/12/1065022712.db2.gz JSDUCQCIMNKIMP-JOCHJYFZSA-N 1 0 460.066 4.970 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)C ZINC001360128585 1065023250 /nfs/dbraw/zinc/02/32/50/1065023250.db2.gz LGTNSIRHVBLPOO-SFHVURJKSA-N 1 0 487.014 4.790 20 0 JJADRO C[C@@H](NC(=O)Cc1ccc(Br)c(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435852448 1065024056 /nfs/dbraw/zinc/02/40/56/1065024056.db2.gz OUFCTGHCGPNYOA-HIFRSBDPSA-N 1 0 458.238 4.523 20 0 JJADRO C[C@H](NC(=O)Cc1ccc(Br)c(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001435852446 1065024285 /nfs/dbraw/zinc/02/42/85/1065024285.db2.gz OUFCTGHCGPNYOA-DZGCQCFKSA-N 1 0 458.238 4.523 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccon1)C(C)C ZINC001360129195 1065024704 /nfs/dbraw/zinc/02/47/04/1065024704.db2.gz SCRJKJDSPMQTTC-UHFFFAOYSA-N 1 0 451.402 4.995 20 0 JJADRO CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)C(C)C ZINC001360129322 1065024908 /nfs/dbraw/zinc/02/49/08/1065024908.db2.gz UTLFKJVWIFGDLI-YADHBBJMSA-N 1 0 490.490 4.974 20 0 JJADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2C[C@]1(C)CCC2)C(C)C ZINC001360129508 1065025345 /nfs/dbraw/zinc/02/53/45/1065025345.db2.gz WPVRFJUCDXJQDK-JPYJTQIMSA-N 1 0 477.495 4.934 20 0 JJADRO CCOC(=O)C1CCC(CC(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)CC1 ZINC001435854711 1065026004 /nfs/dbraw/zinc/02/60/04/1065026004.db2.gz HSEGZBXVVHGTQY-KXXGJQBSSA-N 1 0 450.570 4.756 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C(C)C ZINC001360131629 1065026671 /nfs/dbraw/zinc/02/66/71/1065026671.db2.gz BPWNDQQCOAIROI-UXHICEINSA-N 1 0 497.610 4.695 20 0 JJADRO CC(C)[NH+](CCn1c(C2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)C(C)C ZINC001360132248 1065027036 /nfs/dbraw/zinc/02/70/36/1065027036.db2.gz HFMQWJODRZAXKU-NRFANRHFSA-N 1 0 462.683 4.500 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCSC2)C1)C(C)C ZINC001360133279 1065028376 /nfs/dbraw/zinc/02/83/76/1065028376.db2.gz QTVXSSXPDXHXDF-DEOSSOPVSA-N 1 0 462.107 4.975 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)C(C)C ZINC001360133431 1065028829 /nfs/dbraw/zinc/02/88/29/1065028829.db2.gz RXIMSFTYXCYWDM-FCHUYYIVSA-N 1 0 460.066 4.504 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)C(C)C ZINC001360133720 1065029306 /nfs/dbraw/zinc/02/93/06/1065029306.db2.gz YXLRPXHDORSMPD-UHFFFAOYSA-N 1 0 498.622 4.709 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCSC(C)(C)C1)C(C)C ZINC001360134424 1065030532 /nfs/dbraw/zinc/03/05/32/1065030532.db2.gz KYBISBYFVKFTCC-UHFFFAOYSA-N 1 0 454.688 4.801 20 0 JJADRO CC(C)[NH+](CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001360134365 1065030754 /nfs/dbraw/zinc/03/07/54/1065030754.db2.gz KGJCQXBCCZCZQJ-HXUWFJFHSA-N 1 0 453.553 4.904 20 0 JJADRO CC(C)[NH+](CCn1c(N(C)C[C@@H]2CCCOC2)nnc1C1(c2ccccc2)CCC1)C(C)C ZINC001360135271 1065031557 /nfs/dbraw/zinc/03/15/57/1065031557.db2.gz ULKLCUZDBOHTNS-QHCPKHFHSA-N 1 0 453.675 4.730 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CCCC3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC001360136812 1065032617 /nfs/dbraw/zinc/03/26/17/1065032617.db2.gz QMPCRRQFAONADQ-GOSISDBHSA-N 1 0 461.601 4.647 20 0 JJADRO COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c(OCCC(C)C)c1 ZINC001435864919 1065032627 /nfs/dbraw/zinc/03/26/27/1065032627.db2.gz HFMANNVQIJBEMC-RPBOFIJWSA-N 1 0 459.675 4.529 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4ccccc4F)n3CC(C)(C)C(C)C)CC2)CC1 ZINC001360137121 1065033109 /nfs/dbraw/zinc/03/31/09/1065033109.db2.gz NIXNFWOJOCQVRR-UHFFFAOYSA-N 1 0 470.681 4.761 20 0 JJADRO CC(C)[NH+]1CCC(O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)CC(C)(C)C)CC1 ZINC001360137142 1065033160 /nfs/dbraw/zinc/03/31/60/1065033160.db2.gz UHMGBULNOQTLCE-UHFFFAOYSA-N 1 0 480.122 4.941 20 0 JJADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(Cc4ccsc4)n3CCCC(C)(C)C)CC2)CC1 ZINC001360137736 1065033707 /nfs/dbraw/zinc/03/37/07/1065033707.db2.gz WHOVIPZOCLCMOA-UHFFFAOYSA-N 1 0 472.747 4.752 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2ccccc2F)C1 ZINC001360140454 1065037428 /nfs/dbraw/zinc/03/74/28/1065037428.db2.gz DONHWWDRGZEZMA-LEWJYISDSA-N 1 0 450.606 4.721 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CCc3ccccc3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001360140370 1065037821 /nfs/dbraw/zinc/03/78/21/1065037821.db2.gz CLBNZHKAFRUBHF-JOCHJYFZSA-N 1 0 467.061 4.869 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)c2ccccc2)C1 ZINC001360140544 1065038095 /nfs/dbraw/zinc/03/80/95/1065038095.db2.gz GHARBGUMTYDFTH-RTWAWAEBSA-N 1 0 480.682 4.587 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001360140703 1065038456 /nfs/dbraw/zinc/03/84/56/1065038456.db2.gz IZOJLGYBKPUWIG-FPOVZHCZSA-N 1 0 460.066 4.646 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCC2(C)C)C1 ZINC001360140605 1065038503 /nfs/dbraw/zinc/03/85/03/1065038503.db2.gz HIYIBWNCYZXVGF-PCCBWWKXSA-N 1 0 474.694 4.548 20 0 JJADRO O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001435875725 1065038693 /nfs/dbraw/zinc/03/86/93/1065038693.db2.gz MNESJVIYQGATDA-LJQANCHMSA-N 1 0 453.435 4.886 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360140843 1065039120 /nfs/dbraw/zinc/03/91/20/1065039120.db2.gz JPFNLLLLAADMSJ-UNMCSNQZSA-N 1 0 477.600 4.878 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360140716 1065039149 /nfs/dbraw/zinc/03/91/49/1065039149.db2.gz JEVYVUJOTJILGO-IRLDBZIGSA-N 1 0 450.606 4.721 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2ccccc2F)C1 ZINC001360141610 1065040522 /nfs/dbraw/zinc/04/05/22/1065040522.db2.gz QRQXDWKJFBGEFR-OAQYLSRUSA-N 1 0 455.647 4.869 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001360141962 1065041130 /nfs/dbraw/zinc/04/11/30/1065041130.db2.gz UDIDEKLSQNKZIF-AUSIDOKSSA-N 1 0 499.647 4.581 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360142151 1065041554 /nfs/dbraw/zinc/04/15/54/1065041554.db2.gz UKLVHZKHSMCXTJ-VXKWHMMOSA-N 1 0 459.704 4.835 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@@H]2C)C1 ZINC001360142485 1065042286 /nfs/dbraw/zinc/04/22/86/1065042286.db2.gz XIWDEIJYZYBJTF-OALUTQOASA-N 1 0 476.463 4.729 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCCC2CCOCC2)CC1 ZINC001360143221 1065043062 /nfs/dbraw/zinc/04/30/62/1065043062.db2.gz BPDMYMBUDYLYSJ-UHFFFAOYSA-N 1 0 490.490 4.835 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccs2)CC1 ZINC001360143324 1065043826 /nfs/dbraw/zinc/04/38/26/1065043826.db2.gz DTBKAQFVKSOBKL-UHFFFAOYSA-N 1 0 466.474 4.799 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@H]2CCCCO2)CC1 ZINC001360143583 1065044321 /nfs/dbraw/zinc/04/43/21/1065044321.db2.gz ITXGPDHORMDGDV-OAQYLSRUSA-N 1 0 476.463 4.587 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccccc2Cl)CC1 ZINC001360143595 1065044439 /nfs/dbraw/zinc/04/44/39/1065044439.db2.gz JCIFMBDOMWGUIG-UHFFFAOYSA-N 1 0 477.838 4.658 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CC=CCO2)CC1 ZINC001360144180 1065045358 /nfs/dbraw/zinc/04/53/58/1065045358.db2.gz WFCGESADEHHVBT-GOSISDBHSA-N 1 0 494.865 4.627 20 0 JJADRO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001435888828 1065046003 /nfs/dbraw/zinc/04/60/03/1065046003.db2.gz FYMMTYSKGGMBJZ-TUNPGAEXSA-N 1 0 452.904 4.693 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001360146274 1065048130 /nfs/dbraw/zinc/04/81/30/1065048130.db2.gz HRVVWZRECTUPLJ-UHFFFAOYSA-N 1 0 465.564 4.846 20 0 JJADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001360147304 1065049921 /nfs/dbraw/zinc/04/99/21/1065049921.db2.gz PSHVFSZVPKMKJJ-MHECFPHRSA-N 1 0 496.483 4.636 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCSC2)CC1 ZINC001360149350 1065052654 /nfs/dbraw/zinc/05/26/54/1065052654.db2.gz LJXMVIFFZGPOEI-INIZCTEOSA-N 1 0 482.467 4.520 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001360150259 1065053582 /nfs/dbraw/zinc/05/35/82/1065053582.db2.gz WWSCHXQZKNMGAA-OAHLLOKOSA-N 1 0 486.380 4.813 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2(F)CCC2)CC1 ZINC001360150207 1065053737 /nfs/dbraw/zinc/05/37/37/1065053737.db2.gz VKNGSEUXWSUBGZ-UHFFFAOYSA-N 1 0 468.390 4.659 20 0 JJADRO C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001360150477 1065054480 /nfs/dbraw/zinc/05/44/80/1065054480.db2.gz DBJODTXBMIFPBT-FPOVZHCZSA-N 1 0 451.474 4.595 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001360152629 1065055549 /nfs/dbraw/zinc/05/55/49/1065055549.db2.gz RHRLDIDOUOBYCS-FYYLOGMGSA-N 1 0 471.665 4.768 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)C(C)C)CC1 ZINC001360152508 1065055591 /nfs/dbraw/zinc/05/55/91/1065055591.db2.gz NLCWJKMCQVVCBH-OAQYLSRUSA-N 1 0 476.710 4.605 20 0 JJADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001360153555 1065056359 /nfs/dbraw/zinc/05/63/59/1065056359.db2.gz YZCDHIHGDRUSCL-UHFFFAOYSA-N 1 0 467.536 4.667 20 0 JJADRO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001360162271 1065061421 /nfs/dbraw/zinc/06/14/21/1065061421.db2.gz LPBAODDFHRTNCC-FQEVSTJZSA-N 1 0 480.682 4.587 20 0 JJADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)[NH+](C)C ZINC001435923289 1065065652 /nfs/dbraw/zinc/06/56/52/1065065652.db2.gz VULOLWNBYGPSFR-LYZGTLIUSA-N 1 0 456.590 4.731 20 0 JJADRO O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001435934110 1065070691 /nfs/dbraw/zinc/07/06/91/1065070691.db2.gz JHXUGTLLDMXAPI-HHHXNRCGSA-N 1 0 456.586 4.930 20 0 JJADRO CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccccc2CC[NH+](C)C)[C@H]1c1ccccc1OC ZINC001435946182 1065076177 /nfs/dbraw/zinc/07/61/77/1065076177.db2.gz AWQGOFSYLLTDCV-ATIYNZHBSA-N 1 0 451.611 4.518 20 0 JJADRO C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435950507 1065078034 /nfs/dbraw/zinc/07/80/34/1065078034.db2.gz XVLXWOAXNRLDDQ-JPYJTQIMSA-N 1 0 459.993 4.910 20 0 JJADRO O=C(NC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001435951831 1065078390 /nfs/dbraw/zinc/07/83/90/1065078390.db2.gz UDJWMIFXPOEHRD-NJDAHSKKSA-N 1 0 459.537 4.821 20 0 JJADRO CC(C)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC[C@H](C)c1ccccc1 ZINC001360204632 1065079705 /nfs/dbraw/zinc/07/97/05/1065079705.db2.gz SEMSOXYHEBHUPH-QHCPKHFHSA-N 1 0 480.701 4.703 20 0 JJADRO COc1cccc([C@H](C)CCCC(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)c1 ZINC001360217186 1065085188 /nfs/dbraw/zinc/08/51/88/1065085188.db2.gz ZLRHVZQBVLYJFH-LJQANCHMSA-N 1 0 452.599 4.823 20 0 JJADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1oc2ccccc2c1CSc1ccccc1F ZINC001435969069 1065086262 /nfs/dbraw/zinc/08/62/62/1065086262.db2.gz WLZAHTVDUQSKOK-GOSISDBHSA-N 1 0 455.599 4.620 20 0 JJADRO CC[NH+]1CCN(c2cccc(NC(=O)CCc3c(C)nn(Cc4ccc(C)cc4)c3C)c2)CC1 ZINC001435976518 1065089078 /nfs/dbraw/zinc/08/90/78/1065089078.db2.gz QDNFBIYQASCUPH-UHFFFAOYSA-N 1 0 459.638 4.570 20 0 JJADRO CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC=CCC1 ZINC001360247885 1065097748 /nfs/dbraw/zinc/09/77/48/1065097748.db2.gz DVGBBFCUAYSHEB-SANMLTNESA-N 1 0 455.599 4.508 20 0 JJADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001435993124 1065097785 /nfs/dbraw/zinc/09/77/85/1065097785.db2.gz AIAXUOFCWCHNAT-QFIPXVFZSA-N 1 0 455.400 4.521 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1 ZINC001360248895 1065098136 /nfs/dbraw/zinc/09/81/36/1065098136.db2.gz VBTCRZLWOYSXNE-UHFFFAOYSA-N 1 0 450.583 4.860 20 0 JJADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001435995113 1065098740 /nfs/dbraw/zinc/09/87/40/1065098740.db2.gz OBSKZQRGNMYMKC-HSZRJFAPSA-N 1 0 452.549 4.526 20 0 JJADRO Cc1c(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435995073 1065098871 /nfs/dbraw/zinc/09/88/71/1065098871.db2.gz GVHYLAURFFLJFD-QHCPKHFHSA-N 1 0 456.512 4.840 20 0 JJADRO Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC001360257716 1065103546 /nfs/dbraw/zinc/10/35/46/1065103546.db2.gz XRMJEEUBUOTPMN-UHFFFAOYSA-N 1 0 450.514 4.856 20 0 JJADRO COc1ccc(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1Br ZINC001436014095 1065112217 /nfs/dbraw/zinc/11/22/17/1065112217.db2.gz DCPXTSUCPISCCX-JOCHJYFZSA-N 1 0 459.428 4.807 20 0 JJADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001436016607 1065115191 /nfs/dbraw/zinc/11/51/91/1065115191.db2.gz DONKYEKADKJYOA-NRFANRHFSA-N 1 0 456.512 4.922 20 0 JJADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001436020141 1065118028 /nfs/dbraw/zinc/11/80/28/1065118028.db2.gz BNCKAPVNRZPXCN-HHHXNRCGSA-N 1 0 451.611 4.696 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCN(C)CC(F)(F)F)CC1 ZINC001360304525 1065137998 /nfs/dbraw/zinc/13/79/98/1065137998.db2.gz AJGQDMKCLMKDBV-UHFFFAOYSA-N 1 0 498.663 4.736 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360304890 1065138520 /nfs/dbraw/zinc/13/85/20/1065138520.db2.gz FWJGCNCFKOVBKM-SFHVURJKSA-N 1 0 491.080 4.821 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CC(F)(F)C2)CC1 ZINC001360305087 1065139338 /nfs/dbraw/zinc/13/93/38/1065139338.db2.gz IRNAYCXPKGRDSN-INIZCTEOSA-N 1 0 451.537 4.569 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360305377 1065139901 /nfs/dbraw/zinc/13/99/01/1065139901.db2.gz OCMBBEZZCPYGSH-OAHLLOKOSA-N 1 0 485.421 4.828 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccc(F)c2)CC1 ZINC001360305354 1065139966 /nfs/dbraw/zinc/13/99/66/1065139966.db2.gz NPWVORGEWVNPIZ-UHFFFAOYSA-N 1 0 478.435 4.923 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CSCCS2)CC1 ZINC001360306264 1065141892 /nfs/dbraw/zinc/14/18/92/1065141892.db2.gz BCAUBOGCDAOFSJ-KRWDZBQOSA-N 1 0 496.544 4.523 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CSCCS2)CC1 ZINC001360306266 1065141972 /nfs/dbraw/zinc/14/19/72/1065141972.db2.gz BCAUBOGCDAOFSJ-QGZVFWFLSA-N 1 0 496.544 4.523 20 0 JJADRO CC(C)OC(=O)NCc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001360307327 1065142610 /nfs/dbraw/zinc/14/26/10/1065142610.db2.gz NBEHUCJUXKJQLA-DHIUTWEWSA-N 1 0 478.618 4.632 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CCCC2)CC1 ZINC001360308651 1065144486 /nfs/dbraw/zinc/14/44/86/1065144486.db2.gz KJTKROGTDPQYBR-NRFANRHFSA-N 1 0 474.694 4.550 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CC(C)(C)C)n2Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC001360309589 1065145907 /nfs/dbraw/zinc/14/59/07/1065145907.db2.gz YQQUDINWUXJUON-UHFFFAOYSA-N 1 0 478.472 4.836 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCC(F)(F)F)CC1 ZINC001360309765 1065146010 /nfs/dbraw/zinc/14/60/10/1065146010.db2.gz MCEBVAYTSYEKJM-SFHVURJKSA-N 1 0 488.599 4.659 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001360310060 1065146438 /nfs/dbraw/zinc/14/64/38/1065146438.db2.gz XMIKVAXOFIUVLN-NVQXNPDNSA-N 1 0 483.701 4.708 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(CC3CCCC3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001360310008 1065146475 /nfs/dbraw/zinc/14/64/75/1065146475.db2.gz VWAGJHQSSQUYEZ-UHFFFAOYSA-N 1 0 480.488 4.792 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCC=CO2)CC1 ZINC001360310085 1065147209 /nfs/dbraw/zinc/14/72/09/1065147209.db2.gz YKMMKABXYXFNOF-IBGZPJMESA-N 1 0 480.440 4.823 20 0 JJADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(F)c(F)c2F)CC1 ZINC001360310119 1065147295 /nfs/dbraw/zinc/14/72/95/1065147295.db2.gz ZHUUYPFOMWSSHA-UHFFFAOYSA-N 1 0 463.573 4.557 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)CCC(F)(F)F)n2C[C@H](c2ccccc2)[NH+]2CCCC2)CCOC1 ZINC001360328964 1065171231 /nfs/dbraw/zinc/17/12/31/1065171231.db2.gz PBOVIDVAQFJPMT-QPPBQGQZSA-N 1 0 495.590 4.544 20 0 JJADRO CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC[NH+]2CCCCCC2)CCOC1 ZINC001360331480 1065175524 /nfs/dbraw/zinc/17/55/24/1065175524.db2.gz VFTCNVPQBKYXGT-NVQXNPDNSA-N 1 0 461.695 4.600 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC(C(C)C)CC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001360335569 1065182812 /nfs/dbraw/zinc/18/28/12/1065182812.db2.gz GITJAEDODRVGHB-NEKDWFFYSA-N 1 0 483.701 4.712 20 0 JJADRO CC(C)O[C@]1(c2nnc(N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2CCC(C)(F)F)CCOC1 ZINC001360338289 1065186940 /nfs/dbraw/zinc/18/69/40/1065186940.db2.gz ATKGQNWKPWGJFG-QFQXNSOFSA-N 1 0 497.675 4.845 20 0 JJADRO C[NH+](C)CCCOc1cccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c1 ZINC001360340635 1065190141 /nfs/dbraw/zinc/19/01/41/1065190141.db2.gz WJRLFCBMSVOIRY-UHFFFAOYSA-N 1 0 450.436 4.613 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001436127373 1065200594 /nfs/dbraw/zinc/20/05/94/1065200594.db2.gz HREKZSGJZLQQHE-VQIMIIECSA-N 1 0 459.553 4.850 20 0 JJADRO CC(C)Oc1cccc(CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001360360282 1065213797 /nfs/dbraw/zinc/21/37/97/1065213797.db2.gz SAEFAOKZOAXMLN-UKILVPOCSA-N 1 0 469.674 4.716 20 0 JJADRO CC(C)OC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001360364250 1065221596 /nfs/dbraw/zinc/22/15/96/1065221596.db2.gz MFDYDTDNBBWIBU-FQEVSTJZSA-N 1 0 493.494 4.550 20 0 JJADRO CC(C)OC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001360367792 1065227294 /nfs/dbraw/zinc/22/72/94/1065227294.db2.gz MJFSKHPKHBLENR-JOCHJYFZSA-N 1 0 488.032 4.800 20 0 JJADRO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](c2ccco2)[NH+](C)C)CCO1 ZINC001360371026 1065231185 /nfs/dbraw/zinc/23/11/85/1065231185.db2.gz WVCVPFWWLVFRSK-DNQXCXABSA-N 1 0 495.668 4.769 20 0 JJADRO CC(C)OCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001360377166 1065238120 /nfs/dbraw/zinc/23/81/20/1065238120.db2.gz ZGCMZROYYUHGTJ-IRXDYDNUSA-N 1 0 482.492 4.647 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197601 1065245389 /nfs/dbraw/zinc/24/53/89/1065245389.db2.gz KKLAFHWXFYJMFM-ZYLNGJIFSA-N 1 0 458.046 4.762 20 0 JJADRO CCC[N@H+](C)[C@H](CNC(=O)c1cc2c(c(Br)c1)OCO2)c1ccc(Cl)cc1 ZINC001436197982 1065245624 /nfs/dbraw/zinc/24/56/24/1065245624.db2.gz QWTVSCKJBHOZPN-QGZVFWFLSA-N 1 0 453.764 4.644 20 0 JJADRO CC(C)OCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001360386995 1065251072 /nfs/dbraw/zinc/25/10/72/1065251072.db2.gz WOVUSAHHVDQYHV-QFIPXVFZSA-N 1 0 457.638 4.992 20 0 JJADRO CN(C(=O)c1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001360387169 1065251652 /nfs/dbraw/zinc/25/16/52/1065251652.db2.gz BMYXPUOTZAXFPD-QFIPXVFZSA-N 1 0 453.652 4.881 20 0 JJADRO COc1ccc(CCC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(Br)c1 ZINC001436210255 1065253036 /nfs/dbraw/zinc/25/30/36/1065253036.db2.gz RZAZZUZVNALKSA-XMMPIXPASA-N 1 0 457.412 4.515 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001360409616 1065273237 /nfs/dbraw/zinc/27/32/37/1065273237.db2.gz NYOCVXAQLUEGJP-QPPBQGQZSA-N 1 0 490.092 4.597 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001360409743 1065273914 /nfs/dbraw/zinc/27/39/14/1065273914.db2.gz RVYGYGGVFGHLSD-TZIWHRDSSA-N 1 0 490.490 4.691 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCSC(F)(F)F)CC1 ZINC001360409802 1065273989 /nfs/dbraw/zinc/27/39/89/1065273989.db2.gz UIHHYWITLBMVSF-UHFFFAOYSA-N 1 0 495.974 4.538 20 0 JJADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)c2cccs2)CC1 ZINC001360409903 1065274040 /nfs/dbraw/zinc/27/40/40/1065274040.db2.gz XQALLEYRBVEOHF-UHFFFAOYSA-N 1 0 489.089 4.580 20 0 JJADRO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001360411506 1065275352 /nfs/dbraw/zinc/27/53/52/1065275352.db2.gz BTJHZZVDNFULMB-NRFANRHFSA-N 1 0 451.567 4.842 20 0 JJADRO CC(C)SCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001360415314 1065277914 /nfs/dbraw/zinc/27/79/14/1065277914.db2.gz RUCMVGHGLYTAIM-IBGZPJMESA-N 1 0 461.651 4.763 20 0 JJADRO CCCN(C)c1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)cc1 ZINC001436258964 1065278002 /nfs/dbraw/zinc/27/80/02/1065278002.db2.gz MWRWZRNPRKCPGF-QGZVFWFLSA-N 1 0 459.432 4.688 20 0 JJADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cccc(-n2cccc2)c1 ZINC001436259705 1065278624 /nfs/dbraw/zinc/27/86/24/1065278624.db2.gz WTEISOROJSJTFE-KRWDZBQOSA-N 1 0 453.384 4.632 20 0 JJADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(F)c(Cl)c1F ZINC001436259701 1065278650 /nfs/dbraw/zinc/27/86/50/1065278650.db2.gz WPSSBHCTECAWAV-LLVKDONJSA-N 1 0 458.734 4.773 20 0 JJADRO C[C@H]1CN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001436282091 1065286114 /nfs/dbraw/zinc/28/61/14/1065286114.db2.gz YFBXFHUYPNZWTH-OAQYLSRUSA-N 1 0 451.998 4.920 20 0 JJADRO C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001436281598 1065286216 /nfs/dbraw/zinc/28/62/16/1065286216.db2.gz UXDZVPLZMKHYCE-HNNXBMFYSA-N 1 0 453.327 4.645 20 0 JJADRO CC(C)SCCn1c(Cc2ccncc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360422735 1065289556 /nfs/dbraw/zinc/28/95/56/1065289556.db2.gz ICRBAYZAADMSSF-QFIPXVFZSA-N 1 0 470.731 4.886 20 0 JJADRO CC(C)SCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360424937 1065293723 /nfs/dbraw/zinc/29/37/23/1065293723.db2.gz OVGYOXDMXUQQOU-FQEVSTJZSA-N 1 0 494.750 4.802 20 0 JJADRO CC(C)[C@@H]1C[C@H]1n1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001360425565 1065295044 /nfs/dbraw/zinc/29/50/44/1065295044.db2.gz LFTODBPVQZWBTE-BHIFYINESA-N 1 0 474.694 4.530 20 0 JJADRO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436337824 1065297991 /nfs/dbraw/zinc/29/79/91/1065297991.db2.gz XEZFIEVJGFSUSK-REWPJTCUSA-N 1 0 457.659 4.781 20 0 JJADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(C(C)(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001360429097 1065302945 /nfs/dbraw/zinc/30/29/45/1065302945.db2.gz RIWQKLUGCDLDDX-GOSISDBHSA-N 1 0 461.601 4.696 20 0 JJADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1)C(C)C ZINC001360430880 1065306125 /nfs/dbraw/zinc/30/61/25/1065306125.db2.gz APONCOJVWARELW-LJQANCHMSA-N 1 0 456.585 4.858 20 0 JJADRO C[C@@H](c1cc2ccccc2o1)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCOCC[NH+](C)C ZINC001360431392 1065307428 /nfs/dbraw/zinc/30/74/28/1065307428.db2.gz IEOIGIKTWQCVKK-KRWDZBQOSA-N 1 0 468.989 4.515 20 0 JJADRO CC[NH+]1CCC(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)(C(F)(F)F)CC1 ZINC001436456422 1065322908 /nfs/dbraw/zinc/32/29/08/1065322908.db2.gz WSLPLBGQXQXFKJ-UHFFFAOYSA-N 1 0 458.484 4.859 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1sccc1C ZINC001545898516 1065324459 /nfs/dbraw/zinc/32/44/59/1065324459.db2.gz VVDFZCXEZVWRAO-NHCUHLMSSA-N 1 0 486.730 4.706 20 0 JJADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360448452 1065339569 /nfs/dbraw/zinc/33/95/69/1065339569.db2.gz RDIYZONPWIJSRP-UNMCSNQZSA-N 1 0 496.725 4.887 20 0 JJADRO COc1ccc(OC(F)F)c(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001360448950 1065340103 /nfs/dbraw/zinc/34/01/03/1065340103.db2.gz BHCFQEGFZXSMMF-WOJBJXKFSA-N 1 0 474.529 4.712 20 0 JJADRO O=C(CSCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(Cl)cc1 ZINC001436523639 1065342008 /nfs/dbraw/zinc/34/20/08/1065342008.db2.gz INBUHDKXPBKUIM-UHFFFAOYSA-N 1 0 457.039 4.771 20 0 JJADRO C[C@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360451780 1065344087 /nfs/dbraw/zinc/34/40/87/1065344087.db2.gz ACOGRRMDXBOBEG-HXUWFJFHSA-N 1 0 450.606 4.865 20 0 JJADRO C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001360454218 1065350649 /nfs/dbraw/zinc/35/06/49/1065350649.db2.gz FUAVZSMVQMVHOV-AUSIDOKSSA-N 1 0 499.681 4.650 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)[NH+](CC)CC)cc1 ZINC001436544605 1065353883 /nfs/dbraw/zinc/35/38/83/1065353883.db2.gz QVTJTERCDRPOOA-LOSJGSFVSA-N 1 0 451.611 4.549 20 0 JJADRO COc1ccc(CCC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1Br ZINC001360455481 1065355366 /nfs/dbraw/zinc/35/53/66/1065355366.db2.gz MRLZLMXEQUEDAV-NQIIRXRSSA-N 1 0 459.428 4.902 20 0 JJADRO C[C@@H]1C[C@@H](N(C)C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001360458891 1065358920 /nfs/dbraw/zinc/35/89/20/1065358920.db2.gz BBADMKFREREECB-KCWPFWIISA-N 1 0 455.602 4.845 20 0 JJADRO COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OCCOC(C)C)c1 ZINC001360459147 1065360571 /nfs/dbraw/zinc/36/05/71/1065360571.db2.gz FWLHATJJYLASIW-FYYLOGMGSA-N 1 0 454.611 4.624 20 0 JJADRO C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001360461085 1065365400 /nfs/dbraw/zinc/36/54/00/1065365400.db2.gz MOFVLPLZXUTDNJ-VFNWGFHPSA-N 1 0 463.076 4.690 20 0 JJADRO C[C@@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001360468146 1065383915 /nfs/dbraw/zinc/38/39/15/1065383915.db2.gz YWCWFMFAUPWVLG-NRFANRHFSA-N 1 0 472.747 4.933 20 0 JJADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001436597106 1065390693 /nfs/dbraw/zinc/39/06/93/1065390693.db2.gz DCZKTIACZRDQRI-SFHVURJKSA-N 1 0 458.484 4.788 20 0 JJADRO O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436605013 1065395914 /nfs/dbraw/zinc/39/59/14/1065395914.db2.gz LGBNNODJVHVZKI-RTWAWAEBSA-N 1 0 457.968 4.822 20 0 JJADRO C[C@H]1[C@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C ZINC001436646992 1065415700 /nfs/dbraw/zinc/41/57/00/1065415700.db2.gz IXSDLTUHGTYNQD-GHTZIAJQSA-N 1 0 450.023 4.804 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545900455 1065423334 /nfs/dbraw/zinc/42/33/34/1065423334.db2.gz OMQGMYIVOCOIMH-GRERDSQWSA-N 1 0 498.638 4.630 20 0 JJADRO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360501335 1065425005 /nfs/dbraw/zinc/42/50/05/1065425005.db2.gz RXJWZIZTDZAOPR-FQEVSTJZSA-N 1 0 454.688 4.781 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360502865 1065428947 /nfs/dbraw/zinc/42/89/47/1065428947.db2.gz FCIGWZZGJZYKOM-WNOPAQSVSA-N 1 0 467.614 4.579 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(C2CCCC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360502966 1065430610 /nfs/dbraw/zinc/43/06/10/1065430610.db2.gz GMLMITLCYWAJHZ-AUSIDOKSSA-N 1 0 451.615 4.995 20 0 JJADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001545901384 1065437259 /nfs/dbraw/zinc/43/72/59/1065437259.db2.gz LLTJWIPXTMBNTJ-INIZCTEOSA-N 1 0 454.373 4.713 20 0 JJADRO C[C@H](CCn1c(-c2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001360504838 1065437522 /nfs/dbraw/zinc/43/75/22/1065437522.db2.gz CNAHKYHMXGMSCI-DVECYGJZSA-N 1 0 479.591 4.739 20 0 JJADRO C[C@H](CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccccn1)[NH+]1CCCCC1 ZINC001360505074 1065438958 /nfs/dbraw/zinc/43/89/58/1065438958.db2.gz HLDIWVXEKLSINP-LJQANCHMSA-N 1 0 470.568 4.842 20 0 JJADRO C[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC001360505489 1065441493 /nfs/dbraw/zinc/44/14/93/1065441493.db2.gz PFXHGNLVAYPODR-ROUUACIJSA-N 1 0 471.447 4.935 20 0 JJADRO C[C@@H](CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Br)o1)[NH+]1CCCCC1 ZINC001360505917 1065442295 /nfs/dbraw/zinc/44/22/95/1065442295.db2.gz XNSCOEWOWFCXSF-KRWDZBQOSA-N 1 0 473.419 4.597 20 0 JJADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC001545901710 1065442459 /nfs/dbraw/zinc/44/24/59/1065442459.db2.gz VIZWBVZWHZTNIN-UHFFFAOYSA-N 1 0 454.455 4.935 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360508389 1065447165 /nfs/dbraw/zinc/44/71/65/1065447165.db2.gz BIIFQEPARTVCDH-IAGOWNOFSA-N 1 0 497.528 4.758 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001360508388 1065447233 /nfs/dbraw/zinc/44/72/33/1065447233.db2.gz BIIFQEPARTVCDH-DLBZAZTESA-N 1 0 497.528 4.758 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)o1)[NH+]1CCCCC1 ZINC001360508828 1065448036 /nfs/dbraw/zinc/44/80/36/1065448036.db2.gz JIODWRKTIPZLNI-MJGOQNOKSA-N 1 0 480.451 4.776 20 0 JJADRO C[C@H](CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(Br)c1)[NH+]1CCCCC1 ZINC001360508624 1065448134 /nfs/dbraw/zinc/44/81/34/1065448134.db2.gz GJNMIRBPYXNEBU-CTNGQTDRSA-N 1 0 490.490 4.836 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC001360508845 1065448980 /nfs/dbraw/zinc/44/89/80/1065448980.db2.gz JMUWGDDYVORZDZ-HJNYFJLDSA-N 1 0 461.601 4.912 20 0 JJADRO C[C@H](CCn1c([C@@H]2CCCOC2)nnc1N(C)CCOc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC001360509007 1065449084 /nfs/dbraw/zinc/44/90/84/1065449084.db2.gz MBGGMOZIASLGIW-NHCUHLMSSA-N 1 0 476.065 4.605 20 0 JJADRO C[C@@H](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCCC1 ZINC001360509217 1065449670 /nfs/dbraw/zinc/44/96/70/1065449670.db2.gz OPVZRWWJGSSSON-QFIPXVFZSA-N 1 0 479.673 4.647 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCSC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001360509449 1065449795 /nfs/dbraw/zinc/44/97/95/1065449795.db2.gz SKXVOCFMTVAPAR-UNMCSNQZSA-N 1 0 457.688 4.762 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC001436842695 1065450162 /nfs/dbraw/zinc/45/01/62/1065450162.db2.gz DXDGVGHRHZACDY-VQIMIIECSA-N 1 0 469.782 4.509 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1)[N@H+](C)Cc1ccccc1 ZINC001360509741 1065450477 /nfs/dbraw/zinc/45/04/77/1065450477.db2.gz XHEOKDMUESBERE-UGKGYDQZSA-N 1 0 461.601 4.912 20 0 JJADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC001360510101 1065452473 /nfs/dbraw/zinc/45/24/73/1065452473.db2.gz DOTIDVSCWOCCRX-QHCPKHFHSA-N 1 0 452.691 4.848 20 0 JJADRO C[C@@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCCCC1 ZINC001360510407 1065454465 /nfs/dbraw/zinc/45/44/65/1065454465.db2.gz JXTLTFTVCHCFSU-REWPJTCUSA-N 1 0 460.066 4.792 20 0 JJADRO C[C@@H](CCn1c(N2CCC(O)(c3ccccc3Cl)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360510552 1065454670 /nfs/dbraw/zinc/45/46/70/1065454670.db2.gz NFYPAXBGCOLSKQ-FQEVSTJZSA-N 1 0 474.093 4.982 20 0 JJADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001360510551 1065454741 /nfs/dbraw/zinc/45/47/41/1065454741.db2.gz NFNKUYUQOFUQBB-OAQYLSRUSA-N 1 0 490.737 4.872 20 0 JJADRO C[C@@H](CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC[C@H]1C)[NH+]1CCCCC1 ZINC001360510600 1065454839 /nfs/dbraw/zinc/45/48/39/1065454839.db2.gz OFEJCWKVCXQAHU-RBUKOAKNSA-N 1 0 464.079 4.713 20 0 JJADRO C[C@H](CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC001360510925 1065455542 /nfs/dbraw/zinc/45/55/42/1065455542.db2.gz QWXDGRBPPOENKS-HXUWFJFHSA-N 1 0 497.485 4.927 20 0 JJADRO C[C@@H](CCn1c(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001360511726 1065458204 /nfs/dbraw/zinc/45/82/04/1065458204.db2.gz ZHHYCAQBTUEAGY-NRFANRHFSA-N 1 0 490.737 4.923 20 0 JJADRO C[C@H](CCn1c(Cc2cccnc2)nnc1N1CCSC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001360511731 1065458382 /nfs/dbraw/zinc/45/83/82/1065458382.db2.gz ZIKQFDZXDJAAQK-OAQYLSRUSA-N 1 0 464.683 4.506 20 0 JJADRO C[C@@H](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC1)[NH+]1CCCCC1 ZINC001360513742 1065461570 /nfs/dbraw/zinc/46/15/70/1065461570.db2.gz HBPSPMKAKXVCHQ-FPOVZHCZSA-N 1 0 460.667 4.603 20 0 JJADRO CC(C)c1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360513821 1065462809 /nfs/dbraw/zinc/46/28/09/1065462809.db2.gz ITYNOAPOPHIYGZ-ISKFKSNPSA-N 1 0 498.716 4.863 20 0 JJADRO C[C@@H](CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1Br)[NH+]1CCCCC1 ZINC001360514635 1065468355 /nfs/dbraw/zinc/46/83/55/1065468355.db2.gz XJJJOOKKGXPQRQ-GHTZIAJQSA-N 1 0 476.463 4.793 20 0 JJADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001360515401 1065473160 /nfs/dbraw/zinc/47/31/60/1065473160.db2.gz HSOIXKJGSVUXOG-VXKWHMMOSA-N 1 0 488.721 4.751 20 0 JJADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)COc1ccc2ccccc2c1 ZINC001436961504 1065482049 /nfs/dbraw/zinc/48/20/49/1065482049.db2.gz WVWHSKUNUDSPOQ-UHFFFAOYSA-N 1 0 456.384 4.618 20 0 JJADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1C(C)(C)C ZINC001360519530 1065487525 /nfs/dbraw/zinc/48/75/25/1065487525.db2.gz OQKZJQJYQZPKNT-URVUXULASA-N 1 0 488.721 4.532 20 0 JJADRO Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)cc1 ZINC001437004113 1065492818 /nfs/dbraw/zinc/49/28/18/1065492818.db2.gz FAENSTRTOAFXOD-DEOSSOPVSA-N 1 0 451.636 4.703 20 0 JJADRO Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)c1 ZINC001437004064 1065492888 /nfs/dbraw/zinc/49/28/88/1065492888.db2.gz CVPAHBKIPUOEBD-UHFFFAOYSA-N 1 0 457.665 4.883 20 0 JJADRO Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)cc1 ZINC001437004114 1065492910 /nfs/dbraw/zinc/49/29/10/1065492910.db2.gz FAENSTRTOAFXOD-XMMPIXPASA-N 1 0 451.636 4.703 20 0 JJADRO COCc1c(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)cnn1-c1ccccc1 ZINC001437007981 1065493645 /nfs/dbraw/zinc/49/36/45/1065493645.db2.gz PLCHYEMJZZZIED-UHFFFAOYSA-N 1 0 450.608 4.849 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545903920 1065494612 /nfs/dbraw/zinc/49/46/12/1065494612.db2.gz KSCAJBAFLOHOQN-OTNCWRBYSA-N 1 0 480.701 4.906 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001545903922 1065495265 /nfs/dbraw/zinc/49/52/65/1065495265.db2.gz KSCAJBAFLOHOQN-WRALFONMSA-N 1 0 480.701 4.906 20 0 JJADRO CC(C)N(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001437026681 1065497658 /nfs/dbraw/zinc/49/76/58/1065497658.db2.gz FUOCBCBCPQWCIU-SFHVURJKSA-N 1 0 458.393 4.699 20 0 JJADRO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001360524218 1065498940 /nfs/dbraw/zinc/49/89/40/1065498940.db2.gz WCJQOISFBDQPDD-RPBOFIJWSA-N 1 0 450.623 4.930 20 0 JJADRO C[C@H](CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001360525379 1065502238 /nfs/dbraw/zinc/50/22/38/1065502238.db2.gz TWPHVSMMDJKPEW-HJNYFJLDSA-N 1 0 453.656 4.776 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001545904320 1065503259 /nfs/dbraw/zinc/50/32/59/1065503259.db2.gz SCCYZUPILWYTHV-OAQYLSRUSA-N 1 0 472.703 4.864 20 0 JJADRO C[C@H](CN(C)c1nnc(Cc2ccsc2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1nccs1 ZINC001360526734 1065505849 /nfs/dbraw/zinc/50/58/49/1065505849.db2.gz SCBATXKYPAZMJE-MOPGFXCFSA-N 1 0 458.701 4.891 20 0 JJADRO C[C@H](CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[NH+]1CCCCCC1)c1nccs1 ZINC001360529484 1065508873 /nfs/dbraw/zinc/50/88/73/1065508873.db2.gz HTMUZJHCXHYNGR-NJDAHSKKSA-N 1 0 474.719 4.769 20 0 JJADRO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001437190929 1065518445 /nfs/dbraw/zinc/51/84/45/1065518445.db2.gz GYNCNEOWUYKLPH-QGZVFWFLSA-N 1 0 452.813 4.818 20 0 JJADRO C[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCOc1ccccc1F)[NH+](C)C ZINC001360536760 1065519604 /nfs/dbraw/zinc/51/96/04/1065519604.db2.gz PSVUHUJNYLEBKH-GOSISDBHSA-N 1 0 471.646 4.880 20 0 JJADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC001360537204 1065521178 /nfs/dbraw/zinc/52/11/78/1065521178.db2.gz YYDQGRYPFDELEH-GOSISDBHSA-N 1 0 471.447 4.937 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC001360537205 1065521301 /nfs/dbraw/zinc/52/13/01/1065521301.db2.gz YYDQGRYPFDELEH-SFHVURJKSA-N 1 0 471.447 4.937 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](c2ccco2)C1)[NH+](C)C ZINC001360540608 1065525621 /nfs/dbraw/zinc/52/56/21/1065525621.db2.gz HNQZPDGTHDDIIM-GJZGRUSLSA-N 1 0 478.822 4.898 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC001360540563 1065525643 /nfs/dbraw/zinc/52/56/43/1065525643.db2.gz HGRAOTWFKYHICG-WMZOPIPTSA-N 1 0 490.471 4.515 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](c2ccco2)C1)[NH+](C)C ZINC001360540603 1065525737 /nfs/dbraw/zinc/52/57/37/1065525737.db2.gz HNQZPDGTHDDIIM-CABCVRRESA-N 1 0 478.822 4.898 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001360541238 1065527413 /nfs/dbraw/zinc/52/74/13/1065527413.db2.gz JRQCADLQSQOUIJ-ZDUSSCGKSA-N 1 0 487.929 4.568 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](OCc2ccccc2)C1)[NH+](C)C ZINC001360541262 1065528014 /nfs/dbraw/zinc/52/80/14/1065528014.db2.gz NPDHRNANTIOPII-WMZOPIPTSA-N 1 0 490.471 4.515 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1Cc1cccs1)[NH+](C)C ZINC001360541546 1065528770 /nfs/dbraw/zinc/52/87/70/1065528770.db2.gz QVOIRXLOVZRMPA-LSDHHAIUSA-N 1 0 480.501 4.992 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360541818 1065529734 /nfs/dbraw/zinc/52/97/34/1065529734.db2.gz UJJDCCOEYOECQQ-GOSISDBHSA-N 1 0 489.064 4.528 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CCc1ccccc1F)[NH+](C)C ZINC001360541997 1065530286 /nfs/dbraw/zinc/53/02/86/1065530286.db2.gz WBVVXVZSEZLEJE-CQSZACIVSA-N 1 0 466.424 4.537 20 0 JJADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001360542292 1065531448 /nfs/dbraw/zinc/53/14/48/1065531448.db2.gz ZJHMJTJRLFEDRU-MRXNPFEDSA-N 1 0 465.564 4.541 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ccc(Br)o1)[NH+](C)C ZINC001360544171 1065533335 /nfs/dbraw/zinc/53/33/35/1065533335.db2.gz CZNCHVGMQRIFAQ-CYBMUJFWSA-N 1 0 452.784 4.541 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)c2nccs2)CC1 ZINC001360545242 1065535542 /nfs/dbraw/zinc/53/55/42/1065535542.db2.gz YHUMCCSGGSFSAH-SFHVURJKSA-N 1 0 456.635 4.901 20 0 JJADRO O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001437319261 1065536979 /nfs/dbraw/zinc/53/69/79/1065536979.db2.gz QDSXSCCTLCAOBJ-UHFFFAOYSA-N 1 0 453.608 4.557 20 0 JJADRO C[C@@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001437319406 1065537152 /nfs/dbraw/zinc/53/71/52/1065537152.db2.gz QQYWSNUHUHOMOX-BZUAXINKSA-N 1 0 451.355 4.780 20 0 JJADRO C[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cc(Br)cs1)[NH+](C)C ZINC001360551438 1065542964 /nfs/dbraw/zinc/54/29/64/1065542964.db2.gz ZQUVQYOANSKBML-HNNXBMFYSA-N 1 0 487.471 4.847 20 0 JJADRO CCCCCCOc1ccc(CC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001437368946 1065543534 /nfs/dbraw/zinc/54/35/34/1065543534.db2.gz BPXFWGJYGOKSGJ-SXOMAYOGSA-N 1 0 450.623 4.690 20 0 JJADRO CC(C)N(Cc1cccs1)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C)[NH+](C)C ZINC001360554340 1065545124 /nfs/dbraw/zinc/54/51/24/1065545124.db2.gz WCHQCLNNZNAZRV-IBGZPJMESA-N 1 0 493.681 4.663 20 0 JJADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)cc2)CC1 ZINC001437380043 1065545480 /nfs/dbraw/zinc/54/54/80/1065545480.db2.gz BHDXCZPYYOLCHW-UHFFFAOYSA-N 1 0 455.908 4.627 20 0 JJADRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001360557930 1065547549 /nfs/dbraw/zinc/54/75/49/1065547549.db2.gz IBWPMAAIQUNEOF-OAQYLSRUSA-N 1 0 496.700 4.950 20 0 JJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC001360561680 1065552040 /nfs/dbraw/zinc/55/20/40/1065552040.db2.gz KENUGDMASMMEII-OAHLLOKOSA-N 1 0 455.352 4.511 20 0 JJADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001360562300 1065552428 /nfs/dbraw/zinc/55/24/28/1065552428.db2.gz BEDBKRGXTSNXMG-YZUZCNPQSA-N 1 0 496.700 4.725 20 0 JJADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1ccccc1)[NH+](C)C ZINC001360562758 1065553231 /nfs/dbraw/zinc/55/32/31/1065553231.db2.gz FRTKUBFIXRMZHA-UXHICEINSA-N 1 0 470.662 4.540 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC001437475666 1065559274 /nfs/dbraw/zinc/55/92/74/1065559274.db2.gz SFELOIHDEWLRPS-ZJSXRUAMSA-N 1 0 470.455 4.646 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1)Oc1ccc(F)cc1 ZINC001360569229 1065561904 /nfs/dbraw/zinc/56/19/04/1065561904.db2.gz IZSRFESZANGTIW-OAQYLSRUSA-N 1 0 487.664 4.555 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)[N@H+](C)C1CC1 ZINC001360569326 1065562082 /nfs/dbraw/zinc/56/20/82/1065562082.db2.gz JVQPXSXMBUIWLC-KRWDZBQOSA-N 1 0 461.601 4.675 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001545907291 1065562354 /nfs/dbraw/zinc/56/23/54/1065562354.db2.gz FLCRNZGPWJPIPW-RTWAWAEBSA-N 1 0 468.690 4.952 20 0 JJADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)Sc1ccccc1 ZINC001360570499 1065563788 /nfs/dbraw/zinc/56/37/88/1065563788.db2.gz SFCQAAFZTRFOML-FCHUYYIVSA-N 1 0 471.715 4.596 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001545907393 1065565349 /nfs/dbraw/zinc/56/53/49/1065565349.db2.gz HSVGUSKVHHLWJB-DNQXCXABSA-N 1 0 498.741 4.583 20 0 JJADRO C[C@H](COc1c(F)cccc1F)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001437561670 1065576789 /nfs/dbraw/zinc/57/67/89/1065576789.db2.gz DYNUGCCSQFBQRN-MISYRCLQSA-N 1 0 456.558 4.826 20 0 JJADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)Oc1ccccc1 ZINC001360580072 1065577312 /nfs/dbraw/zinc/57/73/12/1065577312.db2.gz YAHYDRZMYVOFKN-HXUWFJFHSA-N 1 0 453.656 4.709 20 0 JJADRO COc1ccc(-c2nc(C)c(C(=O)N3C[C@@H]([NH+](C)C)CCc4ccccc43)s2)cc1OC ZINC001437576211 1065579701 /nfs/dbraw/zinc/57/97/01/1065579701.db2.gz AGXNRYMVEIECKO-IBGZPJMESA-N 1 0 451.592 4.659 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCOC1)[N@H+](C)C1CC1 ZINC001360583622 1065582026 /nfs/dbraw/zinc/58/20/26/1065582026.db2.gz HBJLRUXETZPCKY-SFTDATJTSA-N 1 0 469.674 4.500 20 0 JJADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCOC1)[N@H+](C)C1CC1 ZINC001360583621 1065582070 /nfs/dbraw/zinc/58/20/70/1065582070.db2.gz HBJLRUXETZPCKY-RTWAWAEBSA-N 1 0 469.674 4.500 20 0 JJADRO C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCCc2sccc2C1)[NH+](C)C ZINC001360583853 1065582541 /nfs/dbraw/zinc/58/25/41/1065582541.db2.gz LUIOCICFYASUHN-INIZCTEOSA-N 1 0 490.471 4.584 20 0 JJADRO CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001360591409 1065598586 /nfs/dbraw/zinc/59/85/86/1065598586.db2.gz CNZVOQZTIQTNRQ-QHCPKHFHSA-N 1 0 494.728 4.669 20 0 JJADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccoc1)C[NH+]1CCCC1 ZINC001360591590 1065598865 /nfs/dbraw/zinc/59/88/65/1065598865.db2.gz GMGUTYLHCNPQCR-INIZCTEOSA-N 1 0 476.394 4.808 20 0 JJADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC=C(Br)C1)C[NH+]1CCCC1 ZINC001360591758 1065598957 /nfs/dbraw/zinc/59/89/57/1065598957.db2.gz IXJDZXUBPORBCE-INIZCTEOSA-N 1 0 496.400 4.767 20 0 JJADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC(F)(F)C1)C[NH+]1CCCC1 ZINC001360592279 1065600125 /nfs/dbraw/zinc/60/01/25/1065600125.db2.gz SCKZUHCGGCSZQH-MRXNPFEDSA-N 1 0 482.417 4.921 20 0 JJADRO COc1cccc(Nc2ccc(NC(=O)c3cnn(CC[NH+](C)C)c3-c3ccccc3)nc2)c1 ZINC001437749309 1065600665 /nfs/dbraw/zinc/60/06/65/1065600665.db2.gz HRTLGUJGZPEQSJ-UHFFFAOYSA-N 1 0 456.550 4.511 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ncc(Cl)n1C)C[NH+]1CCCC1 ZINC001360592401 1065600855 /nfs/dbraw/zinc/60/08/55/1065600855.db2.gz VCBWEAGTJGTCOC-LJQANCHMSA-N 1 0 484.092 4.998 20 0 JJADRO C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC=C(Br)C1)C[NH+]1CCCC1 ZINC001360592335 1065601060 /nfs/dbraw/zinc/60/10/60/1065601060.db2.gz TWMWQFZLJFLNIQ-QZTJIDSGSA-N 1 0 492.437 4.778 20 0 JJADRO C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001360593069 1065602604 /nfs/dbraw/zinc/60/26/04/1065602604.db2.gz DEFQGAJXLVLLHL-UNMCSNQZSA-N 1 0 474.694 4.503 20 0 JJADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC001360593382 1065603243 /nfs/dbraw/zinc/60/32/43/1065603243.db2.gz GLZXHQGZJGDUJZ-RXVVDRJESA-N 1 0 465.564 4.907 20 0 JJADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)cc1 ZINC001437774009 1065603675 /nfs/dbraw/zinc/60/36/75/1065603675.db2.gz IDVXIOSPVJJMRX-UHFFFAOYSA-N 1 0 459.518 4.560 20 0 JJADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1C)C[NH+]1CCCC1 ZINC001360594070 1065604087 /nfs/dbraw/zinc/60/40/87/1065604087.db2.gz LTRAABOIKYEHTG-HOTGVXAUSA-N 1 0 450.400 4.567 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC001360596647 1065609762 /nfs/dbraw/zinc/60/97/62/1065609762.db2.gz DQNVAIASKUMACK-ZWKOTPCHSA-N 1 0 466.457 4.847 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC001360596583 1065609801 /nfs/dbraw/zinc/60/98/01/1065609801.db2.gz COSGKKREOCBUOJ-YLJYHZDGSA-N 1 0 478.504 4.771 20 0 JJADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1CCSC1)C[NH+]1CCCCC1 ZINC001360596581 1065609871 /nfs/dbraw/zinc/60/98/71/1065609871.db2.gz COSGKKREOCBUOJ-PXNSSMCTSA-N 1 0 478.504 4.771 20 0 JJADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC(C)(C)[C@H]1C)C[NH+]1CCCCC1 ZINC001360596680 1065609885 /nfs/dbraw/zinc/60/98/85/1065609885.db2.gz FBNGGWUMPYKVIJ-RBUKOAKNSA-N 1 0 477.600 4.672 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(C)(C)OC(C)(C)C1)C[NH+]1CCCCC1 ZINC001360596762 1065610626 /nfs/dbraw/zinc/61/06/26/1065610626.db2.gz GTLPWUFCJVBNNL-GOSISDBHSA-N 1 0 461.054 4.509 20 0 JJADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccccn2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360596838 1065611278 /nfs/dbraw/zinc/61/12/78/1065611278.db2.gz IGHSPBJGTGOUMC-FCHUYYIVSA-N 1 0 462.642 4.625 20 0 JJADRO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001360597009 1065611294 /nfs/dbraw/zinc/61/12/94/1065611294.db2.gz KYHDWOPQNFHBRO-BVAGGSTKSA-N 1 0 497.728 4.995 20 0 JJADRO CC(C)c1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360597156 1065611969 /nfs/dbraw/zinc/61/19/69/1065611969.db2.gz MDKCVYWZHHRSQI-GBXCKJPGSA-N 1 0 457.638 4.613 20 0 JJADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCCCO1)C[NH+]1CCCCC1 ZINC001360597167 1065612232 /nfs/dbraw/zinc/61/22/32/1065612232.db2.gz MJIQYZRVGDWXRD-MSOLQXFVSA-N 1 0 496.519 4.896 20 0 JJADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC001360597788 1065615279 /nfs/dbraw/zinc/61/52/79/1065615279.db2.gz RMTCCEURPJORRC-GBESFXJTSA-N 1 0 460.464 4.922 20 0 JJADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cccs1)C[NH+]1CCCCC1 ZINC001360597739 1065615342 /nfs/dbraw/zinc/61/53/42/1065615342.db2.gz QPWOKGGVBRNXGV-QGZVFWFLSA-N 1 0 491.503 4.898 20 0 JJADRO CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCCC2)CCS1 ZINC001360598159 1065616731 /nfs/dbraw/zinc/61/67/31/1065616731.db2.gz VSAUIQPPMVVLQJ-PXNSSMCTSA-N 1 0 495.535 4.736 20 0 JJADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC001360598899 1065620058 /nfs/dbraw/zinc/62/00/58/1065620058.db2.gz HGMXWXLDEHLSCI-QFIPXVFZSA-N 1 0 480.701 4.844 20 0 JJADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(F)c(Cl)c1)C[NH+]1CCCCC1 ZINC001360599762 1065621537 /nfs/dbraw/zinc/62/15/37/1065621537.db2.gz WFZAVLQOACJYKG-IBGZPJMESA-N 1 0 471.024 4.815 20 0 JJADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC001360599979 1065622478 /nfs/dbraw/zinc/62/24/78/1065622478.db2.gz ZQIBZTVEWZLBCM-HXUWFJFHSA-N 1 0 499.501 4.847 20 0 JJADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001360601852 1065624651 /nfs/dbraw/zinc/62/46/51/1065624651.db2.gz HZBABHMCJYZKNT-AZUAARDMSA-N 1 0 485.620 4.600 20 0 JJADRO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360601850 1065624698 /nfs/dbraw/zinc/62/46/98/1065624698.db2.gz HWUBLFCYHOTKEZ-GOSISDBHSA-N 1 0 483.554 4.897 20 0 JJADRO C[C@@H](Cn1c(Nc2ccn(C)n2)nnc1[C@@H](C)Oc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC001360601911 1065625481 /nfs/dbraw/zinc/62/54/81/1065625481.db2.gz JEHLEBXAHRAGAJ-QZTJIDSGSA-N 1 0 458.010 4.671 20 0 JJADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001360602393 1065626309 /nfs/dbraw/zinc/62/63/09/1065626309.db2.gz OJUPQEKKHNGTDA-GBESFXJTSA-N 1 0 451.631 4.780 20 0 JJADRO C[C@H](Cn1c(N2CCN(c3ccccc3Cl)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001360602917 1065628013 /nfs/dbraw/zinc/62/80/13/1065628013.db2.gz RBDFUFGKMQEPSV-FQEVSTJZSA-N 1 0 459.082 4.678 20 0 JJADRO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC001360603576 1065628770 /nfs/dbraw/zinc/62/87/70/1065628770.db2.gz VANHZCRJDPRZSP-AZUAARDMSA-N 1 0 464.079 4.574 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001438021693 1065652410 /nfs/dbraw/zinc/65/24/10/1065652410.db2.gz GMQYKSKUZUEOJJ-MUCKBHKGSA-N 1 0 469.670 4.687 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545912293 1065652523 /nfs/dbraw/zinc/65/25/23/1065652523.db2.gz NOVIVQLMSCNNNC-IFMALSPDSA-N 1 0 486.730 4.590 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001545912294 1065652546 /nfs/dbraw/zinc/65/25/46/1065652546.db2.gz NOVIVQLMSCNNNC-IRLDBZIGSA-N 1 0 486.730 4.590 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001438021689 1065652573 /nfs/dbraw/zinc/65/25/73/1065652573.db2.gz GMQYKSKUZUEOJJ-GFXAMXPBSA-N 1 0 469.670 4.687 20 0 JJADRO Cc1cc(Br)oc1C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438032361 1065656066 /nfs/dbraw/zinc/65/60/66/1065656066.db2.gz JAZBDOOESFCIMD-CQSZACIVSA-N 1 0 456.178 4.636 20 0 JJADRO COc1ccccc1C/C(C)=C\C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC001438037937 1065657837 /nfs/dbraw/zinc/65/78/37/1065657837.db2.gz ZEYWWKVRMGWZQP-JIHAQRTOSA-N 1 0 457.412 4.856 20 0 JJADRO COC[C@H](C)Oc1ccc(COC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001438081101 1065666501 /nfs/dbraw/zinc/66/65/01/1065666501.db2.gz YKIHHBYTBYJYKH-MBSDFSHPSA-N 1 0 451.485 4.598 20 0 JJADRO Cc1ccc(O[C@@H](C)C(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC001438088486 1065668201 /nfs/dbraw/zinc/66/82/01/1065668201.db2.gz CCDYDRIKZYIXSE-SFHVURJKSA-N 1 0 457.412 4.531 20 0 JJADRO CC(F)(F)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001360630621 1065679151 /nfs/dbraw/zinc/67/91/51/1065679151.db2.gz RXTLMDOTWDFAQF-UHFFFAOYSA-N 1 0 474.383 4.884 20 0 JJADRO C[C@@H](N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001360632060 1065683201 /nfs/dbraw/zinc/68/32/01/1065683201.db2.gz HJVMRDHHTNMKGM-HXUWFJFHSA-N 1 0 492.634 4.801 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCCC[NH+]2CCCC2)C1 ZINC001360639650 1065708394 /nfs/dbraw/zinc/70/83/94/1065708394.db2.gz RLMBXWIJJMXMKW-NHCUHLMSSA-N 1 0 476.710 4.581 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)COC/C=C\c2ccccc2)cc1 ZINC001438322670 1065709386 /nfs/dbraw/zinc/70/93/86/1065709386.db2.gz AVTBSVQKXKEFHS-SZXLNIFMSA-N 1 0 456.586 4.509 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001438330544 1065710395 /nfs/dbraw/zinc/71/03/95/1065710395.db2.gz PTFDBGPBBXFSKT-QFBILLFUSA-N 1 0 454.368 4.602 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001438330561 1065710510 /nfs/dbraw/zinc/71/05/10/1065710510.db2.gz PTFDBGPBBXFSKT-VQIMIIECSA-N 1 0 454.368 4.602 20 0 JJADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001438334047 1065711172 /nfs/dbraw/zinc/71/11/72/1065711172.db2.gz RXBAHDQESBGHIF-WMLDXEAASA-N 1 0 455.318 4.966 20 0 JJADRO CC(C)[N@H+](C)CCCn1c(C2CCCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360640975 1065711621 /nfs/dbraw/zinc/71/16/21/1065711621.db2.gz BENGEEVAUJSTHZ-HXUWFJFHSA-N 1 0 476.710 4.796 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001360641033 1065712136 /nfs/dbraw/zinc/71/21/36/1065712136.db2.gz BUXDXKBUAJPPHK-HXUWFJFHSA-N 1 0 496.700 4.785 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)COc2ccccc2C(C)C)cc1 ZINC001438339756 1065712312 /nfs/dbraw/zinc/71/23/12/1065712312.db2.gz QXVMNMFDUSPXQU-RRPNLBNLSA-N 1 0 458.602 4.982 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CCCC3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001360641338 1065713056 /nfs/dbraw/zinc/71/30/56/1065713056.db2.gz GYKHNSWFYDKCBH-QPPBQGQZSA-N 1 0 496.700 4.807 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@]2(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001438345512 1065713465 /nfs/dbraw/zinc/71/34/65/1065713465.db2.gz ZPEVLLSGOQNCEP-CTVOUCONSA-N 1 0 478.633 4.537 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360641638 1065714166 /nfs/dbraw/zinc/71/41/66/1065714166.db2.gz LDEZNNVMLDWBQD-IFMALSPDSA-N 1 0 496.700 4.784 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001438356829 1065715734 /nfs/dbraw/zinc/71/57/34/1065715734.db2.gz IZAUUGYFZWOKKV-XMMPIXPASA-N 1 0 451.611 4.886 20 0 JJADRO O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)c1cnc2ncc(Br)cc2c1 ZINC001438362001 1065716575 /nfs/dbraw/zinc/71/65/75/1065716575.db2.gz XWAXTPKEAWKGME-OAQYLSRUSA-N 1 0 453.384 4.567 20 0 JJADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001360645786 1065721094 /nfs/dbraw/zinc/72/10/94/1065721094.db2.gz LKGMQHBAVPVYIV-PXNSSMCTSA-N 1 0 493.599 4.827 20 0 JJADRO C[C@@H]([NH2+]C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1)c1ccccc1 ZINC001360645928 1065721256 /nfs/dbraw/zinc/72/12/56/1065721256.db2.gz MAPCUYKYWXPHEE-OAQYLSRUSA-N 1 0 478.689 4.504 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001438576502 1065733346 /nfs/dbraw/zinc/73/33/46/1065733346.db2.gz ZIIIMEUQBPKUCO-GOTSBHOMSA-N 1 0 455.643 4.585 20 0 JJADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCCc2ccc(C3CC3)cc2)CC1 ZINC001360681442 1065735428 /nfs/dbraw/zinc/73/54/28/1065735428.db2.gz FRRGFHWRWYQXQO-UHFFFAOYSA-N 1 0 459.556 4.974 20 0 JJADRO C[NH+](C)C1(C)CCC(NC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)CC1 ZINC001438618007 1065736599 /nfs/dbraw/zinc/73/65/99/1065736599.db2.gz HQQKWCDFMFDJEN-UHFFFAOYSA-N 1 0 456.631 4.549 20 0 JJADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC001360697907 1065739253 /nfs/dbraw/zinc/73/92/53/1065739253.db2.gz RKLULLNJJIUMGX-VKZJTJHYSA-N 1 0 451.920 4.613 20 0 JJADRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001438792529 1065752641 /nfs/dbraw/zinc/75/26/41/1065752641.db2.gz XDCYCKFACTYRQN-UHFFFAOYSA-N 1 0 453.384 4.932 20 0 JJADRO O=C(NCCc1sccc1Br)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001438888912 1065763417 /nfs/dbraw/zinc/76/34/17/1065763417.db2.gz XADCAVJEBKDSFL-IAGOWNOFSA-N 1 0 476.465 4.542 20 0 JJADRO C[C@H]1C[C@H](N(C)C(=O)CC(C)(C)NC(=O)OCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001360735339 1065763399 /nfs/dbraw/zinc/76/33/99/1065763399.db2.gz PIGHPEOAMLKEOD-XUZZJYLKSA-N 1 0 451.611 4.593 20 0 JJADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001360735924 1065764605 /nfs/dbraw/zinc/76/46/05/1065764605.db2.gz ZPWXLENXCVOINC-RDPSFJRHSA-N 1 0 451.611 4.836 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccoc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360736918 1065766789 /nfs/dbraw/zinc/76/67/89/1065766789.db2.gz ARWHCETUFAEPGO-IBGZPJMESA-N 1 0 455.578 4.909 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)[C@H]1c1cccs1 ZINC001360740323 1065773751 /nfs/dbraw/zinc/77/37/51/1065773751.db2.gz ADWGJUBEWTZUPF-YJBOKZPZSA-N 1 0 455.502 4.672 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)COc2ccccc2OCc2ccccc2)[C@H]1c1cccs1 ZINC001360742093 1065776754 /nfs/dbraw/zinc/77/67/54/1065776754.db2.gz VAXWMQCGCZHNPV-RLWLMLJZSA-N 1 0 450.604 4.905 20 0 JJADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCOC(C)(C)C)CC1 ZINC001360743829 1065780553 /nfs/dbraw/zinc/78/05/53/1065780553.db2.gz KLAUMJUZKJTDOJ-FQEVSTJZSA-N 1 0 475.653 4.929 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001360745230 1065783808 /nfs/dbraw/zinc/78/38/08/1065783808.db2.gz IAUPTXWCLFCFTB-DLBZAZTESA-N 1 0 469.527 4.820 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001360746135 1065787502 /nfs/dbraw/zinc/78/75/02/1065787502.db2.gz UBQKBCIGPHDHRU-NFBKMPQASA-N 1 0 473.637 4.827 20 0 JJADRO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001360748408 1065789524 /nfs/dbraw/zinc/78/95/24/1065789524.db2.gz YCLTYJMKGLWAJS-SFHVURJKSA-N 1 0 456.512 4.936 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001360748761 1065791124 /nfs/dbraw/zinc/79/11/24/1065791124.db2.gz FWFRSBSCFNARRE-CCLHPLFOSA-N 1 0 499.631 4.616 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccccc2SCc2ccco2)CCOCC1 ZINC001439130933 1065791201 /nfs/dbraw/zinc/79/12/01/1065791201.db2.gz OZHMPSFTKQGSTH-UHFFFAOYSA-N 1 0 450.604 4.983 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSCC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001360749499 1065792771 /nfs/dbraw/zinc/79/27/71/1065792771.db2.gz FEOUSSZKIBCHIR-PMACEKPBSA-N 1 0 461.651 4.765 20 0 JJADRO CCSc1ccccc1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001439149189 1065793084 /nfs/dbraw/zinc/79/30/84/1065793084.db2.gz YPKDRLNFLVDEQZ-FGZHOGPDSA-N 1 0 451.661 4.830 20 0 JJADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360749995 1065793728 /nfs/dbraw/zinc/79/37/28/1065793728.db2.gz RWZSAKZMHVTKEF-DYLHXGEVSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H]2Cc2cccs2)n1C[C@H](C)[NH+](C)C ZINC001360750270 1065794784 /nfs/dbraw/zinc/79/47/84/1065794784.db2.gz VKAKGWUSDOPDAN-NSHGMRRFSA-N 1 0 457.619 4.780 20 0 JJADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001360750673 1065795736 /nfs/dbraw/zinc/79/57/36/1065795736.db2.gz YNFXOTAJNQNIGR-KBMIEXCESA-N 1 0 473.637 4.683 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H]2CCOC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360753905 1065801596 /nfs/dbraw/zinc/80/15/96/1065801596.db2.gz KZKLBAJWVZZGHL-QUCCMNQESA-N 1 0 462.038 4.561 20 0 JJADRO C[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C ZINC001439227871 1065802500 /nfs/dbraw/zinc/80/25/00/1065802500.db2.gz ZOZFQDYSQMVSMH-QAPCUYQASA-N 1 0 455.521 4.885 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360754465 1065804866 /nfs/dbraw/zinc/80/48/66/1065804866.db2.gz VDOIUECYRKQMGM-KSSFIOAISA-N 1 0 459.944 4.800 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cnn(C)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360754685 1065807451 /nfs/dbraw/zinc/80/74/51/1065807451.db2.gz ZDHYBAWFBMVJOC-IBGZPJMESA-N 1 0 486.064 4.706 20 0 JJADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CO)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001360758076 1065822314 /nfs/dbraw/zinc/82/23/14/1065822314.db2.gz MKMYKAAVMQYATJ-HXUWFJFHSA-N 1 0 490.092 4.935 20 0 JJADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CC(F)(F)F ZINC001360758359 1065825016 /nfs/dbraw/zinc/82/50/16/1065825016.db2.gz QXFNBYMGNHLOLB-IRXDYDNUSA-N 1 0 471.955 4.946 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001545922847 1065833336 /nfs/dbraw/zinc/83/33/36/1065833336.db2.gz VUTUTEGXCOVRFV-HXUWFJFHSA-N 1 0 484.664 4.594 20 0 JJADRO Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@@H](CC[NH+](C)C)c3cccnc3)cc12 ZINC001439515739 1065837559 /nfs/dbraw/zinc/83/75/59/1065837559.db2.gz VHHBOJWKTLGVRL-FQEVSTJZSA-N 1 0 453.999 4.867 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCSC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360762478 1065839591 /nfs/dbraw/zinc/83/95/91/1065839591.db2.gz GHSWEXPXUAKMHP-HQRMLTQVSA-N 1 0 475.659 4.863 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001360769170 1065860526 /nfs/dbraw/zinc/86/05/26/1065860526.db2.gz FDQDBBYITXALIN-SIKLNZKXSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)(C)n1cc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c(Br)n1 ZINC001439709490 1065863288 /nfs/dbraw/zinc/86/32/88/1065863288.db2.gz LTTCNZYMSKZUDP-UHFFFAOYSA-N 1 0 459.432 4.628 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360770353 1065866109 /nfs/dbraw/zinc/86/61/09/1065866109.db2.gz XOMCDCHGONBBKQ-KXBFYZLASA-N 1 0 469.527 4.676 20 0 JJADRO CC(C)[NH+](CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(C1)CCOCC2)C(C)C ZINC001360772211 1065869676 /nfs/dbraw/zinc/86/96/76/1065869676.db2.gz GQWQTSWGVYCBTN-OAQYLSRUSA-N 1 0 473.637 4.683 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001360773275 1065871126 /nfs/dbraw/zinc/87/11/26/1065871126.db2.gz KNTHBSNPHHXGRU-RTBURBONSA-N 1 0 499.553 4.591 20 0 JJADRO C[C@@]1(NC(=O)Cc2ccc([Si](C)(C)C)cc2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439759311 1065872355 /nfs/dbraw/zinc/87/23/55/1065872355.db2.gz YXAVCPKGKDDASY-LMSSTIIKSA-N 1 0 456.706 4.949 20 0 JJADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360774695 1065873878 /nfs/dbraw/zinc/87/38/78/1065873878.db2.gz SZVHUPSDCHXOJU-CCLHPLFOSA-N 1 0 487.664 4.809 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360774798 1065874819 /nfs/dbraw/zinc/87/48/19/1065874819.db2.gz SZVHUPSDCHXOJU-NFQMXDRXSA-N 1 0 487.664 4.809 20 0 JJADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360774863 1065875518 /nfs/dbraw/zinc/87/55/18/1065875518.db2.gz UVIPFSWMUWAMOL-TXTKFYIRSA-N 1 0 473.637 4.540 20 0 JJADRO CC(C)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001360775544 1065878206 /nfs/dbraw/zinc/87/82/06/1065878206.db2.gz WAQBVLGVNYTIJM-DFIYOIEZSA-N 1 0 475.678 4.867 20 0 JJADRO O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439822112 1065882972 /nfs/dbraw/zinc/88/29/72/1065882972.db2.gz YRIHUCSBDUEDQN-BJKOFHAPSA-N 1 0 481.518 4.514 20 0 JJADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001440048070 1065906616 /nfs/dbraw/zinc/90/66/16/1065906616.db2.gz RZEPJQFGWIOPLN-RAVGUYNFSA-N 1 0 477.649 4.744 20 0 JJADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC001545927624 1065908729 /nfs/dbraw/zinc/90/87/29/1065908729.db2.gz ANOIJTGPJUJESB-YMSRPXOMSA-N 1 0 461.005 4.872 20 0 JJADRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3OCc3ccccc3Br)C[C@@H]2C1 ZINC001440076156 1065910091 /nfs/dbraw/zinc/91/00/91/1065910091.db2.gz JGYMCBBTUXYYCE-YSIASYRMSA-N 1 0 457.412 4.830 20 0 JJADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001360804222 1065915183 /nfs/dbraw/zinc/91/51/83/1065915183.db2.gz PAPMZLFATYANOO-UHFFFAOYSA-N 1 0 458.949 4.968 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccccc1 ZINC001440142740 1065915806 /nfs/dbraw/zinc/91/58/06/1065915806.db2.gz QMHWKVHIMGWZMT-DVECYGJZSA-N 1 0 458.027 4.858 20 0 JJADRO CC[NH+](CC)CC[C@H](NC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001440143732 1065916462 /nfs/dbraw/zinc/91/64/62/1065916462.db2.gz SEORKTBFKOZYPN-RPLLCQBOSA-N 1 0 451.611 4.625 20 0 JJADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001360805274 1065916860 /nfs/dbraw/zinc/91/68/60/1065916860.db2.gz NAAGJJSBRIWBOR-INIZCTEOSA-N 1 0 463.468 4.783 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CCCO)CC2)C1 ZINC001360808257 1065920671 /nfs/dbraw/zinc/92/06/71/1065920671.db2.gz IMKGYNYIOPJZHN-UHFFFAOYSA-N 1 0 474.093 4.633 20 0 JJADRO CC1(C)CCC[N@H+](CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCSCC2)C1 ZINC001360808119 1065920910 /nfs/dbraw/zinc/92/09/10/1065920910.db2.gz GYPFUIRTZIYUEU-UHFFFAOYSA-N 1 0 484.497 4.839 20 0 JJADRO CC1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001360817489 1065930697 /nfs/dbraw/zinc/93/06/97/1065930697.db2.gz PMUJXLKRZRMOTQ-UHFFFAOYSA-N 1 0 466.120 4.899 20 0 JJADRO CC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001360821005 1065934501 /nfs/dbraw/zinc/93/45/01/1065934501.db2.gz OFVHUAVKHDXTKH-UHFFFAOYSA-N 1 0 490.490 4.979 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c2cccs2)CC1 ZINC001440389656 1065936764 /nfs/dbraw/zinc/93/67/64/1065936764.db2.gz OYKPWMRCYOWYGC-QYXIYQDXSA-N 1 0 461.672 4.817 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)c1cccs1 ZINC001440528629 1065947742 /nfs/dbraw/zinc/94/77/42/1065947742.db2.gz HFOXGSGXWZRHSD-FPOVZHCZSA-N 1 0 457.640 4.725 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1cccs1 ZINC001440528626 1065947836 /nfs/dbraw/zinc/94/78/36/1065947836.db2.gz HFOXGSGXWZRHSD-CTNGQTDRSA-N 1 0 457.640 4.725 20 0 JJADRO CC1(Cn2c(CC3CCCC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCCC1 ZINC001360843955 1065952718 /nfs/dbraw/zinc/95/27/18/1065952718.db2.gz PKWLAWQCSKJRTK-UHFFFAOYSA-N 1 0 471.612 4.682 20 0 JJADRO CC[NH+]1CCN(c2ccc(NC(=O)c3sc(NC(=O)OC(C)(C)C)nc3C)c(C)c2)CC1 ZINC001440611853 1065954389 /nfs/dbraw/zinc/95/43/89/1065954389.db2.gz BSADKZCRLUYUBK-UHFFFAOYSA-N 1 0 459.616 4.501 20 0 JJADRO CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCCC2)CC1 ZINC001360847562 1065955924 /nfs/dbraw/zinc/95/59/24/1065955924.db2.gz RVCDRXQULNPHLN-UHFFFAOYSA-N 1 0 489.064 4.578 20 0 JJADRO CC1=C(Br)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001360850416 1065960660 /nfs/dbraw/zinc/96/06/60/1065960660.db2.gz CTKNRMCXPGYCNL-ROUUACIJSA-N 1 0 492.437 4.921 20 0 JJADRO O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001440664111 1065960697 /nfs/dbraw/zinc/96/06/97/1065960697.db2.gz FVZDVKPCXGFRJB-HSZRJFAPSA-N 1 0 459.565 4.649 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)Cc1ccccc1 ZINC001440665731 1065960956 /nfs/dbraw/zinc/96/09/56/1065960956.db2.gz JSDDMFLOYQZRGY-IBGZPJMESA-N 1 0 454.368 4.539 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)[NH+](C)C)cc1 ZINC001440669736 1065961442 /nfs/dbraw/zinc/96/14/42/1065961442.db2.gz ALLUNCQFKWPAPE-OAQYLSRUSA-N 1 0 451.592 4.604 20 0 JJADRO CCc1ccc([C@H](CNC(=O)[C@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001440672460 1065962073 /nfs/dbraw/zinc/96/20/73/1065962073.db2.gz NATONCOOLZACCM-RPWUZVMVSA-N 1 0 451.611 4.643 20 0 JJADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001440677751 1065963752 /nfs/dbraw/zinc/96/37/52/1065963752.db2.gz AGDQOYTVOADRNF-UHFFFAOYSA-N 1 0 455.484 4.765 20 0 JJADRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)cc1 ZINC001440678369 1065963987 /nfs/dbraw/zinc/96/39/87/1065963987.db2.gz DTFXDEJZCYLDDW-XMMPIXPASA-N 1 0 451.611 4.819 20 0 JJADRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001440679843 1065964821 /nfs/dbraw/zinc/96/48/21/1065964821.db2.gz VXKVLNMVSYCODF-LEWJYISDSA-N 1 0 455.624 4.883 20 0 JJADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001440691003 1065967460 /nfs/dbraw/zinc/96/74/60/1065967460.db2.gz ZHLFUMSBODHZOP-VWLOTQADSA-N 1 0 451.611 4.630 20 0 JJADRO CC1=C(Br)CN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001360853606 1065970359 /nfs/dbraw/zinc/97/03/59/1065970359.db2.gz IHGMOIVCHPUTEN-QZTJIDSGSA-N 1 0 452.485 4.724 20 0 JJADRO C[C@H](C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001440714191 1065970520 /nfs/dbraw/zinc/97/05/20/1065970520.db2.gz OFLDZAWLYNGQCE-DVECYGJZSA-N 1 0 451.014 4.622 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)nc2ccc(Br)cc21)Cc1ccccc1 ZINC001440737165 1065973579 /nfs/dbraw/zinc/97/35/79/1065973579.db2.gz ISWYQUOCQUVKIG-HXUWFJFHSA-N 1 0 454.412 4.989 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)Cc1ccccc1 ZINC001440738629 1065973719 /nfs/dbraw/zinc/97/37/19/1065973719.db2.gz NRNUKEIHJMJQJP-YADHBBJMSA-N 1 0 450.652 4.582 20 0 JJADRO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCc2ccccc2CC1 ZINC001440748651 1065975617 /nfs/dbraw/zinc/97/56/17/1065975617.db2.gz RNFDUVUKBCONLZ-UHFFFAOYSA-N 1 0 459.556 4.529 20 0 JJADRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440746483 1065975680 /nfs/dbraw/zinc/97/56/80/1065975680.db2.gz LBMUCNNNFJNHSJ-UXHICEINSA-N 1 0 451.558 4.507 20 0 JJADRO CCCOc1ccc(CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1OCCC ZINC001440805531 1065980508 /nfs/dbraw/zinc/98/05/08/1065980508.db2.gz OVSMJYYAQBOCDP-UHFFFAOYSA-N 1 0 450.623 4.856 20 0 JJADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@@H](C)O1 ZINC001440821703 1065981374 /nfs/dbraw/zinc/98/13/74/1065981374.db2.gz AYINVYKRSHEEFT-YVHKJVDXSA-N 1 0 451.394 4.729 20 0 JJADRO Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001360864883 1065983279 /nfs/dbraw/zinc/98/32/79/1065983279.db2.gz KVBXRKDNMMHHQH-QHCPKHFHSA-N 1 0 494.709 4.743 20 0 JJADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001440865556 1065985157 /nfs/dbraw/zinc/98/51/57/1065985157.db2.gz PXIOVQXZFNMKIA-ZEQRLZLVSA-N 1 0 457.659 4.893 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)CCNC(=O)c1ccc2ccccc2c1)c1ccccc1Cl ZINC001440866132 1065985386 /nfs/dbraw/zinc/98/53/86/1065985386.db2.gz JJSQQWFWBCGULN-DEOSSOPVSA-N 1 0 451.998 4.812 20 0 JJADRO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001360865749 1065985614 /nfs/dbraw/zinc/98/56/14/1065985614.db2.gz IAEYOKFJSXOYQK-QFQXNSOFSA-N 1 0 498.697 4.713 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)c1C ZINC001360865891 1065986425 /nfs/dbraw/zinc/98/64/25/1065986425.db2.gz JYWDIPGQBVTRLT-BPUWIUIQSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)c1C ZINC001360865893 1065986456 /nfs/dbraw/zinc/98/64/56/1065986456.db2.gz JYWDIPGQBVTRLT-KMRPREKFSA-N 1 0 483.701 4.897 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001360865988 1065986966 /nfs/dbraw/zinc/98/69/66/1065986966.db2.gz KYSHCWFZWQJSRK-IEBWSBKVSA-N 1 0 457.022 4.670 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001360865989 1065986989 /nfs/dbraw/zinc/98/69/89/1065986989.db2.gz KYSHCWFZWQJSRK-MJGOQNOKSA-N 1 0 457.022 4.670 20 0 JJADRO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001360866679 1065989785 /nfs/dbraw/zinc/98/97/85/1065989785.db2.gz XGNCTUMAEYJEBO-LAUBAEHRSA-N 1 0 466.630 4.759 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC001360869112 1065996358 /nfs/dbraw/zinc/99/63/58/1065996358.db2.gz FBWRNRRINDEJBS-IVGWJTKZSA-N 1 0 469.674 4.771 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001360869116 1065996617 /nfs/dbraw/zinc/99/66/17/1065996617.db2.gz FBWRNRRINDEJBS-NZRJUOQRSA-N 1 0 469.674 4.771 20 0 JJADRO C[N@H+](Cc1ccccc1NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC001440954176 1065996875 /nfs/dbraw/zinc/99/68/75/1065996875.db2.gz OCWILUQOAFBNFX-UHFFFAOYSA-N 1 0 459.631 4.542 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3nccs3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360869707 1065998475 /nfs/dbraw/zinc/99/84/75/1065998475.db2.gz QKLULLWMBFLAGZ-VWPQPMDRSA-N 1 0 498.697 4.627 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001360869781 1065999185 /nfs/dbraw/zinc/99/91/85/1065999185.db2.gz JZIOXOGHEKWZEE-FBBABVLZSA-N 1 0 483.579 4.531 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)c1ccsc1 ZINC001441009993 1066000512 /nfs/dbraw/zinc/00/05/12/1066000512.db2.gz WBIISEKZJMARKR-UGKGYDQZSA-N 1 0 457.640 4.725 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnccn3)n2CC(C)(C)[NH+]2CCCCC2)c1C ZINC001360870796 1066003721 /nfs/dbraw/zinc/00/37/21/1066003721.db2.gz ZIBSRLMOIOXQGC-JOCHJYFZSA-N 1 0 477.657 4.726 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCOC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001360871354 1066004621 /nfs/dbraw/zinc/00/46/21/1066004621.db2.gz WLWGPKJFTPEQCV-UNMCSNQZSA-N 1 0 457.663 4.771 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CCC(C)C)c1C ZINC001360873277 1066008484 /nfs/dbraw/zinc/00/84/84/1066008484.db2.gz GGFZKJDSBFTKGG-RPBOFIJWSA-N 1 0 482.717 4.686 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1C ZINC001360873630 1066009803 /nfs/dbraw/zinc/00/98/03/1066009803.db2.gz HFPSBEFZABQQGS-CEMLEFRQSA-N 1 0 467.614 4.546 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CCOC[C@H]2C)c1C ZINC001360873812 1066010597 /nfs/dbraw/zinc/01/05/97/1066010597.db2.gz IGBPNTOKUXIXTR-GMKZXUHWSA-N 1 0 469.674 4.628 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)c1C ZINC001360873813 1066010863 /nfs/dbraw/zinc/01/08/63/1066010863.db2.gz IGBPNTOKUXIXTR-JRFVFWCSSA-N 1 0 469.674 4.628 20 0 JJADRO O=C(CCCC(=O)c1ccc(Br)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001441175351 1066011443 /nfs/dbraw/zinc/01/14/43/1066011443.db2.gz KQCOPNFOTNNELK-UHFFFAOYSA-N 1 0 457.412 4.625 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CC[NH+]2CCSCC2)c1C ZINC001360874129 1066011778 /nfs/dbraw/zinc/01/17/78/1066011778.db2.gz MTTIOKJNZBMHGX-KAGYGMCKSA-N 1 0 457.688 4.566 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)c1C ZINC001360873983 1066011934 /nfs/dbraw/zinc/01/19/34/1066011934.db2.gz JBDHCMWADAHEMV-ZCUZBQTDSA-N 1 0 483.701 4.897 20 0 JJADRO CCc1ccccc1O[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC001441213206 1066015568 /nfs/dbraw/zinc/01/55/68/1066015568.db2.gz XRISSQRHJIAICE-MUUNZHRXSA-N 1 0 457.618 4.698 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCCC1 ZINC001441220164 1066016501 /nfs/dbraw/zinc/01/65/01/1066016501.db2.gz BMEVUYKMWUPFQS-DNQXCXABSA-N 1 0 457.659 4.879 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC4(C3)CCOCC4)n2CCC[N@@H+](C)C(C)C)c1C ZINC001360875336 1066017293 /nfs/dbraw/zinc/01/72/93/1066017293.db2.gz SNQNRICTWVWYGF-HSZRJFAPSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001360875785 1066019638 /nfs/dbraw/zinc/01/96/38/1066019638.db2.gz YWOGDSNSHGGAHB-ZEQRLZLVSA-N 1 0 469.674 4.772 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001545940105 1066025615 /nfs/dbraw/zinc/02/56/15/1066025615.db2.gz RVYOEDSITGEVNS-QFIPXVFZSA-N 1 0 490.762 4.717 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCSCC(C)C)c1C ZINC001360878428 1066025985 /nfs/dbraw/zinc/02/59/85/1066025985.db2.gz VDQXCGAEBAROKU-QFIPXVFZSA-N 1 0 459.704 4.955 20 0 JJADRO CC[NH+]1CCN(Cc2ccc(NC(=O)COc3ccc(Oc4ccc(C)cc4)cc3)cc2)CC1 ZINC001441314436 1066026319 /nfs/dbraw/zinc/02/63/19/1066026319.db2.gz UBVWBQONJJNFJY-UHFFFAOYSA-N 1 0 459.590 4.942 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2CCC[N@H+](C)C2CCCCC2)c1C ZINC001360878599 1066026340 /nfs/dbraw/zinc/02/63/40/1066026340.db2.gz WOTUIWVHAMYHOC-HSZRJFAPSA-N 1 0 469.674 4.916 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCOCCC(C)C)c1C ZINC001360878676 1066026891 /nfs/dbraw/zinc/02/68/91/1066026891.db2.gz YDOYJTLMOGGMSU-ZEQRLZLVSA-N 1 0 469.674 4.772 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC4(CCCC4)C3)n2CCC[N@@H+](C)C(C)C)c1C ZINC001360878790 1066027407 /nfs/dbraw/zinc/02/74/07/1066027407.db2.gz AEKOQCMSFJDQCK-QHCPKHFHSA-N 1 0 469.674 4.915 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC001360878874 1066027740 /nfs/dbraw/zinc/02/77/40/1066027740.db2.gz BOOJLVXDRWFMKD-QVHJCDIPSA-N 1 0 469.674 4.628 20 0 JJADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001441323592 1066028435 /nfs/dbraw/zinc/02/84/35/1066028435.db2.gz CZASTBDEIAECIT-PKTZIBPZSA-N 1 0 458.002 4.544 20 0 JJADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCSCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001360879080 1066028699 /nfs/dbraw/zinc/02/86/99/1066028699.db2.gz FUPQUKUTPQCJLM-UNMCSNQZSA-N 1 0 457.688 4.853 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@]4(CCO[C@@H]4C)C3)n2CC[NH+](C(C)C)C(C)C)c1C ZINC001360879330 1066029868 /nfs/dbraw/zinc/02/98/68/1066029868.db2.gz JQTXESQEPMZNJG-GKAFBRTNSA-N 1 0 499.700 4.538 20 0 JJADRO Cc1ccc(N2C[C@@H](C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CCC2=O)cc1C ZINC001441340926 1066030489 /nfs/dbraw/zinc/03/04/89/1066030489.db2.gz IYVDWFJARSZPBZ-XUZZJYLKSA-N 1 0 454.014 4.653 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@@H]3C)n2CCC[N@H+](C)C2CCCCC2)c1C ZINC001360879956 1066032111 /nfs/dbraw/zinc/03/21/11/1066032111.db2.gz SNRPGJHDMWNXMO-JTHBVZDNSA-N 1 0 469.674 4.915 20 0 JJADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)C1 ZINC001441355173 1066032406 /nfs/dbraw/zinc/03/24/06/1066032406.db2.gz OHWTVWTYESTSBU-GBXCKJPGSA-N 1 0 451.611 4.801 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001441353729 1066032464 /nfs/dbraw/zinc/03/24/64/1066032464.db2.gz JEXWMPNTZPWOBC-NFBKMPQASA-N 1 0 455.643 4.714 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)C1 ZINC001441355175 1066032634 /nfs/dbraw/zinc/03/26/34/1066032634.db2.gz OHWTVWTYESTSBU-HYBUGGRVSA-N 1 0 451.611 4.801 20 0 JJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001441357318 1066033205 /nfs/dbraw/zinc/03/32/05/1066033205.db2.gz PZSGCGJWJSZTBC-REWPJTCUSA-N 1 0 455.643 4.857 20 0 JJADRO Cc1cccc(O[C@H](C)c2nnc(Nc3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)c1C ZINC001360882039 1066035316 /nfs/dbraw/zinc/03/53/16/1066035316.db2.gz VNLDMXVGOFIDIL-GHTZIAJQSA-N 1 0 451.619 4.634 20 0 JJADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2nccc3c(Br)cccc32)cc1 ZINC001441366194 1066035642 /nfs/dbraw/zinc/03/56/42/1066035642.db2.gz SJDSNOFQJRZEPD-UHFFFAOYSA-N 1 0 456.384 4.648 20 0 JJADRO O=C(NCCc1ccc(N2CCCCC2)cc1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001441371348 1066035827 /nfs/dbraw/zinc/03/58/27/1066035827.db2.gz NBJNGVLPLFLPGI-RUZDIDTESA-N 1 0 459.556 4.790 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 ZINC001441375726 1066036376 /nfs/dbraw/zinc/03/63/76/1066036376.db2.gz NCGYFBMRSFRFEB-QGZVFWFLSA-N 1 0 457.500 4.591 20 0 JJADRO CC1=C(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001360883743 1066038027 /nfs/dbraw/zinc/03/80/27/1066038027.db2.gz XSENRHDLLRARIJ-HHHXNRCGSA-N 1 0 473.706 4.623 20 0 JJADRO CC1=C(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001360888506 1066041420 /nfs/dbraw/zinc/04/14/20/1066041420.db2.gz YIQWIDXILPRUEN-FCHUYYIVSA-N 1 0 498.672 4.835 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cc2cccc(OCc3cccnc3)c2)C1 ZINC001441447023 1066041739 /nfs/dbraw/zinc/04/17/39/1066041739.db2.gz NBQFEMOBNJLBGN-ZRZAMGCNSA-N 1 0 457.618 4.997 20 0 JJADRO CC[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC001441457858 1066042033 /nfs/dbraw/zinc/04/20/33/1066042033.db2.gz BXUGIHBVSOURJG-FAYOUJPWSA-N 1 0 457.659 4.816 20 0 JJADRO CC[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC001441457877 1066042704 /nfs/dbraw/zinc/04/27/04/1066042704.db2.gz BXUGIHBVSOURJG-WNXIRNOKSA-N 1 0 457.659 4.816 20 0 JJADRO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001360892412 1066044292 /nfs/dbraw/zinc/04/42/92/1066044292.db2.gz WXVNAEGUQZNWGA-VXKWHMMOSA-N 1 0 451.659 4.814 20 0 JJADRO Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)sc1C ZINC001360895808 1066048772 /nfs/dbraw/zinc/04/87/72/1066048772.db2.gz MPJSETGLXWYWDN-LJQANCHMSA-N 1 0 486.661 4.794 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 ZINC001441649022 1066057067 /nfs/dbraw/zinc/05/70/67/1066057067.db2.gz ZYEYENUUEMVYIC-HSZRJFAPSA-N 1 0 455.643 4.503 20 0 JJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001441639397 1066057299 /nfs/dbraw/zinc/05/72/99/1066057299.db2.gz GTOVOFFLGQWXFD-JTHBVZDNSA-N 1 0 457.659 4.749 20 0 JJADRO Cn1c(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc2cc(C(F)(F)F)ccc21 ZINC001441702210 1066062971 /nfs/dbraw/zinc/06/29/71/1066062971.db2.gz KXQLOUIDKUQLIJ-UHFFFAOYSA-N 1 0 458.528 4.529 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001360908244 1066063671 /nfs/dbraw/zinc/06/36/71/1066063671.db2.gz GMHGMICXFPMFBF-UHFFFAOYSA-N 1 0 468.671 4.580 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCOC(C)(C)C)n1C[C@@H](C)[NH+](C)C ZINC001360909066 1066065159 /nfs/dbraw/zinc/06/51/59/1066065159.db2.gz WWOHSNRQYVYTCT-QGZVFWFLSA-N 1 0 456.660 4.578 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H]2CCOC2)n1CCC[N@@H+](C)C(C)C ZINC001360909193 1066065206 /nfs/dbraw/zinc/06/52/06/1066065206.db2.gz XSBKHABGAIXOTB-FQEVSTJZSA-N 1 0 468.671 4.580 20 0 JJADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCOC[C@@H]2C)n1CC[NH+](C(C)C)C(C)C ZINC001360910709 1066067150 /nfs/dbraw/zinc/06/71/50/1066067150.db2.gz NKBQDMUWQSPKDU-IBGZPJMESA-N 1 0 468.671 4.721 20 0 JJADRO Cc1ccsc1CCn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001360918585 1066074584 /nfs/dbraw/zinc/07/45/84/1066074584.db2.gz WLUXAASNCYHPAW-UHFFFAOYSA-N 1 0 491.503 4.626 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)[NH+]1CCCCC1 ZINC001441886742 1066078278 /nfs/dbraw/zinc/07/82/78/1066078278.db2.gz PBZNZXLVBAWHRM-CHHLAKQQSA-N 1 0 454.567 4.600 20 0 JJADRO COc1ccccc1[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1C(F)F)[NH+]1CCCCC1 ZINC001441892048 1066079160 /nfs/dbraw/zinc/07/91/60/1066079160.db2.gz XCFRWPMIADNUHI-OAQYLSRUSA-N 1 0 454.521 4.776 20 0 JJADRO CN(c1ccc(NC(=O)Cc2c[nH]c3ccc(Br)cc23)cc1)C1CC[NH+](C)CC1 ZINC001441919885 1066081078 /nfs/dbraw/zinc/08/10/78/1066081078.db2.gz VRTWCFTZYGBLQM-UHFFFAOYSA-N 1 0 455.400 4.642 20 0 JJADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC001441958006 1066082946 /nfs/dbraw/zinc/08/29/46/1066082946.db2.gz IUTBCOAYPAJEMM-UHFFFAOYSA-N 1 0 455.396 4.717 20 0 JJADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC001360928367 1066084253 /nfs/dbraw/zinc/08/42/53/1066084253.db2.gz FVVLDABCZFHACB-SXOMAYOGSA-N 1 0 455.602 4.843 20 0 JJADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC001360928365 1066084382 /nfs/dbraw/zinc/08/43/82/1066084382.db2.gz FVVLDABCZFHACB-RRPNLBNLSA-N 1 0 455.602 4.843 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001442014460 1066085270 /nfs/dbraw/zinc/08/52/70/1066085270.db2.gz CQCNKLKAXQKBAY-UHFFFAOYSA-N 1 0 450.671 4.904 20 0 JJADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001442013156 1066085365 /nfs/dbraw/zinc/08/53/65/1066085365.db2.gz WMQINHBFGZALDR-VWLOTQADSA-N 1 0 452.639 4.906 20 0 JJADRO Cc1c(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cnn1C ZINC001360929604 1066085581 /nfs/dbraw/zinc/08/55/81/1066085581.db2.gz KKADBRZBGROJSO-FCHUYYIVSA-N 1 0 497.663 4.604 20 0 JJADRO Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](c2ccco2)[NH+](C)C)cnn1C ZINC001360929639 1066085672 /nfs/dbraw/zinc/08/56/72/1066085672.db2.gz LFGJBOIERAOCRU-AVRDEDQJSA-N 1 0 498.031 4.646 20 0 JJADRO Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001360930995 1066087801 /nfs/dbraw/zinc/08/78/01/1066087801.db2.gz YBOQMQSLRMDXRR-IBGZPJMESA-N 1 0 472.634 4.690 20 0 JJADRO Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([NH+](C)C)CCC1 ZINC001360931044 1066088256 /nfs/dbraw/zinc/08/82/56/1066088256.db2.gz YXBWINKSNVCVEF-QGZVFWFLSA-N 1 0 475.062 4.957 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360932253 1066089740 /nfs/dbraw/zinc/08/97/40/1066089740.db2.gz JSJIVHBWRRMSKJ-INIZCTEOSA-N 1 0 476.597 4.680 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001360932261 1066089861 /nfs/dbraw/zinc/08/98/61/1066089861.db2.gz JTRGHQVTMYTUTH-MRXNPFEDSA-N 1 0 489.487 4.841 20 0 JJADRO CCN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001442072569 1066090162 /nfs/dbraw/zinc/09/01/62/1066090162.db2.gz LCGDVDKSILBIIN-ATIYNZHBSA-N 1 0 456.586 4.980 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)c2cnc3ncc(Br)cc3c2)c2ccccc2)CC1 ZINC001442081245 1066091212 /nfs/dbraw/zinc/09/12/12/1066091212.db2.gz XBOUYLRWFHRVEZ-NRFANRHFSA-N 1 0 453.384 4.595 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360934955 1066093946 /nfs/dbraw/zinc/09/39/46/1066093946.db2.gz RNUYMKQVFQBATF-MRXNPFEDSA-N 1 0 464.433 4.647 20 0 JJADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001360935183 1066094347 /nfs/dbraw/zinc/09/43/47/1066094347.db2.gz WJIMJZCTHREWMW-QGZVFWFLSA-N 1 0 482.057 4.915 20 0 JJADRO Cc1occc1CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[NH+](C(C)C)C(C)C ZINC001360935282 1066094725 /nfs/dbraw/zinc/09/47/25/1066094725.db2.gz DQHWTZQKTPGFGV-UHFFFAOYSA-N 1 0 453.587 4.721 20 0 JJADRO COc1cc(/C=C(\C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)ccc1O ZINC001442112042 1066095742 /nfs/dbraw/zinc/09/57/42/1066095742.db2.gz XLOBEVIRASMFIY-ITYLOYPMSA-N 1 0 456.586 4.970 20 0 JJADRO Cc1occc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001360949628 1066106288 /nfs/dbraw/zinc/10/62/88/1066106288.db2.gz NBANYDVFCLMKMP-XPWALMASSA-N 1 0 457.663 4.855 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)cc2Cl)CC1 ZINC001442243527 1066107222 /nfs/dbraw/zinc/10/72/22/1066107222.db2.gz FTYXTZXVJMFDNW-HXUWFJFHSA-N 1 0 456.801 4.851 20 0 JJADRO O=C(Cc1cc(-c2ccccc2)on1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951935 1066109258 /nfs/dbraw/zinc/10/92/58/1066109258.db2.gz ODHLRQKOCZVELD-HXUWFJFHSA-N 1 0 457.496 4.797 20 0 JJADRO CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1OCC ZINC001442284123 1066111345 /nfs/dbraw/zinc/11/13/45/1066111345.db2.gz ALINOZDXIUJNSP-PMACEKPBSA-N 1 0 452.595 4.565 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001442305513 1066114649 /nfs/dbraw/zinc/11/46/49/1066114649.db2.gz LMGKNCPRQJYOPG-GOSISDBHSA-N 1 0 459.553 4.898 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001442304286 1066114846 /nfs/dbraw/zinc/11/48/46/1066114846.db2.gz HVILOVCMXPJBRJ-FGTMMUONSA-N 1 0 454.455 4.952 20 0 JJADRO CC[C@@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)N(C)C(=O)OC(C)(C)C ZINC001442312713 1066115862 /nfs/dbraw/zinc/11/58/62/1066115862.db2.gz WIKOHFCSIYWFQF-OALUTQOASA-N 1 0 459.553 4.850 20 0 JJADRO Cc1ccsc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001360959592 1066117058 /nfs/dbraw/zinc/11/70/58/1066117058.db2.gz IQEGMBPMVXZLOA-UHFFFAOYSA-N 1 0 461.582 4.885 20 0 JJADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCCC1 ZINC001545948348 1066117684 /nfs/dbraw/zinc/11/76/84/1066117684.db2.gz PBRVKNDKMHHKAD-HSZRJFAPSA-N 1 0 496.059 4.706 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(Br)cccc2cn1 ZINC001360961119 1066120671 /nfs/dbraw/zinc/12/06/71/1066120671.db2.gz AQLGIZQVODFALN-LJQANCHMSA-N 1 0 452.396 4.982 20 0 JJADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC001360961464 1066121219 /nfs/dbraw/zinc/12/12/19/1066121219.db2.gz KJSCDBCAASYHMC-LJQANCHMSA-N 1 0 459.403 4.990 20 0 JJADRO CC[NH+](CC)[C@H](C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001360967618 1066124933 /nfs/dbraw/zinc/12/49/33/1066124933.db2.gz JCOBLXGTCILBAW-OALUTQOASA-N 1 0 457.537 4.508 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001360967619 1066124943 /nfs/dbraw/zinc/12/49/43/1066124943.db2.gz JCOBLXGTCILBAW-RBUKOAKNSA-N 1 0 457.537 4.508 20 0 JJADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCc2cc(Br)c(Br)s2)CC1 ZINC001442446029 1066127331 /nfs/dbraw/zinc/12/73/31/1066127331.db2.gz LRTQNGQGUUOILR-UHFFFAOYSA-N 1 0 452.256 4.539 20 0 JJADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)n[nH]1)[NH+](C)C ZINC001442465354 1066128029 /nfs/dbraw/zinc/12/80/29/1066128029.db2.gz MUIMAKFUXAZSLN-INIZCTEOSA-N 1 0 451.320 4.964 20 0 JJADRO Cc1c(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cnn1CC(C)C ZINC001360972893 1066129222 /nfs/dbraw/zinc/12/92/22/1066129222.db2.gz PNJPHWCNBVQCCA-UHFFFAOYSA-N 1 0 481.664 4.528 20 0 JJADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)c(F)c(Br)c(F)c1F ZINC001442474342 1066129707 /nfs/dbraw/zinc/12/97/07/1066129707.db2.gz XUHDFVCWIFOBFB-ZDUSSCGKSA-N 1 0 459.281 4.648 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2cccnc2Oc2ccc(Br)cc2)[NH+](C)C)cc1 ZINC001442475855 1066130414 /nfs/dbraw/zinc/13/04/14/1066130414.db2.gz NXQAGEKZPGRAGS-OAQYLSRUSA-N 1 0 454.368 4.978 20 0 JJADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001442476798 1066130773 /nfs/dbraw/zinc/13/07/73/1066130773.db2.gz RPRLKRVNSXXVQB-OAQYLSRUSA-N 1 0 456.512 4.592 20 0 JJADRO Cc1ccoc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001360977394 1066134702 /nfs/dbraw/zinc/13/47/02/1066134702.db2.gz OCAJJEXDKATCSJ-UHFFFAOYSA-N 1 0 478.424 4.892 20 0 JJADRO CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCC1 ZINC001442548950 1066135798 /nfs/dbraw/zinc/13/57/98/1066135798.db2.gz HATIDGHDBDHODQ-UHFFFAOYSA-N 1 0 459.656 4.539 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccsc2-n2c(C)ccc2C)CC1 ZINC001442550170 1066136207 /nfs/dbraw/zinc/13/62/07/1066136207.db2.gz XQVWSWVQDBVUJZ-LJQANCHMSA-N 1 0 454.615 4.928 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccsc2-n2c(C)ccc2C)CC1 ZINC001442550169 1066136272 /nfs/dbraw/zinc/13/62/72/1066136272.db2.gz XQVWSWVQDBVUJZ-IBGZPJMESA-N 1 0 454.615 4.928 20 0 JJADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001442592621 1066141751 /nfs/dbraw/zinc/14/17/51/1066141751.db2.gz MQVYKBOXGBBTEH-VJBWXMMDSA-N 1 0 453.583 4.512 20 0 JJADRO CC[C@H](Cn1c(C(C)C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001545950175 1066142276 /nfs/dbraw/zinc/14/22/76/1066142276.db2.gz MEHFNBDZPQTSNF-HXUWFJFHSA-N 1 0 462.683 4.502 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001360985436 1066147129 /nfs/dbraw/zinc/14/71/29/1066147129.db2.gz APYUTQAAJQXKGX-FQEVSTJZSA-N 1 0 482.698 4.923 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360985738 1066149030 /nfs/dbraw/zinc/14/90/30/1066149030.db2.gz KEZMMICWBZFSSF-IMSXRSKXSA-N 1 0 496.700 4.579 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001360985742 1066149056 /nfs/dbraw/zinc/14/90/56/1066149056.db2.gz KGKHHNZYRDOIHQ-QHCPKHFHSA-N 1 0 466.674 4.748 20 0 JJADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC001442669298 1066150022 /nfs/dbraw/zinc/15/00/22/1066150022.db2.gz SDBSTBJTBSDVTC-FMKPAKJESA-N 1 0 450.352 4.721 20 0 JJADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cc2cccc(OCCCOc3ccccc3)c2)C1 ZINC001442672321 1066150677 /nfs/dbraw/zinc/15/06/77/1066150677.db2.gz VWWRXAFXZGSFLZ-VDKIKQQVSA-N 1 0 450.623 4.941 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@H](C)[NH+](C)C ZINC001360986318 1066150783 /nfs/dbraw/zinc/15/07/83/1066150783.db2.gz APEVOKJVOODFNL-QKNQBKEWSA-N 1 0 464.054 4.644 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@@H](C)[NH+](C)C ZINC001360986320 1066150904 /nfs/dbraw/zinc/15/09/04/1066150904.db2.gz APEVOKJVOODFNL-SFHLNBCPSA-N 1 0 464.054 4.644 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(F)(F)F)n1CC[NH+]1CCCC1 ZINC001360986560 1066152700 /nfs/dbraw/zinc/15/27/00/1066152700.db2.gz GUISPCYOQMONEE-MRXNPFEDSA-N 1 0 459.944 4.783 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccccn2)n1C[C@H](C)[NH+](C)C ZINC001360986635 1066153284 /nfs/dbraw/zinc/15/32/84/1066153284.db2.gz ITFJNPFOICCEOU-OALUTQOASA-N 1 0 457.022 4.670 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC001442720013 1066155331 /nfs/dbraw/zinc/15/53/31/1066155331.db2.gz HMRGCYBJBQGGKZ-OAHLLOKOSA-N 1 0 456.439 4.544 20 0 JJADRO CC(C)N(CCC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001442722807 1066155742 /nfs/dbraw/zinc/15/57/42/1066155742.db2.gz MSOXGXWHOKZOQO-UHFFFAOYSA-N 1 0 459.553 4.631 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360986939 1066156001 /nfs/dbraw/zinc/15/60/01/1066156001.db2.gz PVOMKEPSXUGTJR-OAQYLSRUSA-N 1 0 492.649 4.518 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC001442733688 1066156363 /nfs/dbraw/zinc/15/63/63/1066156363.db2.gz YKQXPGHONOXFCN-UHFFFAOYSA-N 1 0 450.892 4.953 20 0 JJADRO CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001442757439 1066157549 /nfs/dbraw/zinc/15/75/49/1066157549.db2.gz QICOSQJRUXJFPO-XMMPIXPASA-N 1 0 455.643 4.682 20 0 JJADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001360987209 1066157623 /nfs/dbraw/zinc/15/76/23/1066157623.db2.gz UWZLTUCKYSFRIX-NHCUHLMSSA-N 1 0 468.690 4.536 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCOC2)n1CC[NH+]1CCC(C)CC1 ZINC001360987246 1066158056 /nfs/dbraw/zinc/15/80/56/1066158056.db2.gz VXPQDSDYYNXGAU-YADHBBJMSA-N 1 0 490.092 4.893 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@@H]2CCOC2)n1CC[NH+]1CCC(C)CC1 ZINC001360987245 1066158065 /nfs/dbraw/zinc/15/80/65/1066158065.db2.gz VXPQDSDYYNXGAU-VXKWHMMOSA-N 1 0 490.092 4.893 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001360989454 1066161381 /nfs/dbraw/zinc/16/13/81/1066161381.db2.gz FMUNLKNJWVGKMD-IRLDBZIGSA-N 1 0 476.065 4.525 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001360989631 1066162479 /nfs/dbraw/zinc/16/24/79/1066162479.db2.gz HYFDFESBAOBVKL-NRFANRHFSA-N 1 0 489.108 4.562 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001360990047 1066165140 /nfs/dbraw/zinc/16/51/40/1066165140.db2.gz PHZYHWTUTWFSMC-KCZVDYSFSA-N 1 0 490.092 4.770 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCc3oncc3C2)n1CC[N@@H+](C)C(C)C ZINC001360990237 1066166482 /nfs/dbraw/zinc/16/64/82/1066166482.db2.gz RQJLOPNLTUYCRV-GOSISDBHSA-N 1 0 473.021 4.579 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001360990260 1066166962 /nfs/dbraw/zinc/16/69/62/1066166962.db2.gz RUAKKOZRQNLLGZ-OAQYLSRUSA-N 1 0 490.092 4.771 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCOC1 ZINC001360990363 1066167554 /nfs/dbraw/zinc/16/75/54/1066167554.db2.gz ULWRWVFVYWIQGA-VQTJNVASSA-N 1 0 476.065 4.692 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(F)cn1 ZINC001360991242 1066169494 /nfs/dbraw/zinc/16/94/94/1066169494.db2.gz ATYGHBCUYUGPBS-IBGZPJMESA-N 1 0 487.023 4.801 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001360991436 1066169774 /nfs/dbraw/zinc/16/97/74/1066169774.db2.gz CHANWPMFFQGSMX-SFTDATJTSA-N 1 0 476.065 4.789 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001360992131 1066171051 /nfs/dbraw/zinc/17/10/51/1066171051.db2.gz JAGHPTVXSFIGJB-VQTJNVASSA-N 1 0 476.065 4.788 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCOCC(F)F ZINC001360992657 1066172012 /nfs/dbraw/zinc/17/20/12/1066172012.db2.gz QMFJMFPFCLSGGU-GOSISDBHSA-N 1 0 498.018 4.645 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(Nc2cnn(C)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001360993077 1066172903 /nfs/dbraw/zinc/17/29/03/1066172903.db2.gz XXVUASYXFXBFFG-QFBILLFUSA-N 1 0 472.037 4.897 20 0 JJADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOCC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001360993033 1066172924 /nfs/dbraw/zinc/17/29/24/1066172924.db2.gz WYAKDOLYOFHMIE-PZJWPPBQSA-N 1 0 464.054 4.501 20 0 JJADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CC2)c(C)o1 ZINC001360994279 1066173628 /nfs/dbraw/zinc/17/36/28/1066173628.db2.gz GJXPPBKWDKPJMJ-OAQYLSRUSA-N 1 0 498.697 4.549 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)CCCOc2ccccc2Br)[C@H]1c1cccs1 ZINC001360996026 1066174858 /nfs/dbraw/zinc/17/48/58/1066174858.db2.gz BAXNMTFSMPNLMC-IERDGZPVSA-N 1 0 451.430 4.869 20 0 JJADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001360996175 1066174894 /nfs/dbraw/zinc/17/48/94/1066174894.db2.gz CXIOWDBBGCJGNY-DENIHFKCSA-N 1 0 455.624 4.859 20 0 JJADRO Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC001360998272 1066177491 /nfs/dbraw/zinc/17/74/91/1066177491.db2.gz YGAMXJMCCMRCNF-KCVHQNEMSA-N 1 0 457.663 4.610 20 0 JJADRO Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC001360998270 1066177494 /nfs/dbraw/zinc/17/74/94/1066177494.db2.gz YGAMXJMCCMRCNF-BORKOYIJSA-N 1 0 457.663 4.610 20 0 JJADRO Cc1cc(C)c(Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361011923 1066196023 /nfs/dbraw/zinc/19/60/23/1066196023.db2.gz JLKPFUIADKSRKP-MUUNZHRXSA-N 1 0 483.701 4.603 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)c(C)c1 ZINC001361011975 1066196076 /nfs/dbraw/zinc/19/60/76/1066196076.db2.gz KRPQJYMXGRFCFA-UHFFFAOYSA-N 1 0 494.709 4.696 20 0 JJADRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1NC(=O)c1ccc(Br)cc1 ZINC001361013919 1066198778 /nfs/dbraw/zinc/19/87/78/1066198778.db2.gz ZSEIFJDJOBKLMZ-WOJBJXKFSA-N 1 0 458.400 4.612 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC001361014433 1066200701 /nfs/dbraw/zinc/20/07/01/1066200701.db2.gz NRSUTWYJWXMDJI-BJKOFHAPSA-N 1 0 496.700 4.640 20 0 JJADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC001361014436 1066200734 /nfs/dbraw/zinc/20/07/34/1066200734.db2.gz NRSUTWYJWXMDJI-RPWUZVMVSA-N 1 0 496.700 4.640 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001361018847 1066208517 /nfs/dbraw/zinc/20/85/17/1066208517.db2.gz UEAXRETTXQXOPY-CJFMBICVSA-N 1 0 469.655 4.702 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccoc3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001361020790 1066211051 /nfs/dbraw/zinc/21/10/51/1066211051.db2.gz HWLSUMKZIZQGRP-QFIPXVFZSA-N 1 0 451.615 4.968 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCC[C@@H]2C)s1 ZINC001361021078 1066213028 /nfs/dbraw/zinc/21/30/28/1066213028.db2.gz QDNKEAFPRUSTKL-FQEVSTJZSA-N 1 0 453.656 4.965 20 0 JJADRO Cc1csc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[NH+]2CCCCC2)c1 ZINC001361021368 1066214334 /nfs/dbraw/zinc/21/43/34/1066214334.db2.gz VXOXQXPSLGITHS-UHFFFAOYSA-N 1 0 453.656 4.966 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361022559 1066217899 /nfs/dbraw/zinc/21/78/99/1066217899.db2.gz UWLSSXNLRPOFMC-XLIONFOSSA-N 1 0 467.580 4.983 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001361022628 1066218528 /nfs/dbraw/zinc/21/85/28/1066218528.db2.gz WURKNOBPJYNDAN-ZEQRLZLVSA-N 1 0 469.674 4.600 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361023754 1066220166 /nfs/dbraw/zinc/22/01/66/1066220166.db2.gz CMYKHTQNKZHVBS-REWPJTCUSA-N 1 0 483.701 4.988 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC(C)C)CC1)[NH+]1CCCC1 ZINC001545951839 1066222829 /nfs/dbraw/zinc/22/28/29/1066222829.db2.gz CWSDVGSQIUZEDZ-IFMALSPDSA-N 1 0 473.637 4.825 20 0 JJADRO CC[C@@]1(C)CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)O1 ZINC001546056913 1066229885 /nfs/dbraw/zinc/22/98/85/1066229885.db2.gz LJJIOXVZZRMOBV-DHLKQENFSA-N 1 0 474.719 4.538 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361027663 1066230563 /nfs/dbraw/zinc/23/05/63/1066230563.db2.gz QWGJPWDOQLYFGC-JOCHJYFZSA-N 1 0 497.728 4.973 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001361028689 1066234843 /nfs/dbraw/zinc/23/48/43/1066234843.db2.gz ONMAZIQLZBTWAZ-OTNCWRBYSA-N 1 0 469.674 4.598 20 0 JJADRO CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)O1 ZINC001546056713 1066235879 /nfs/dbraw/zinc/23/58/79/1066235879.db2.gz JBJLZLCNRYBWNQ-DHLKQENFSA-N 1 0 459.704 4.835 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 ZINC001442924629 1066241538 /nfs/dbraw/zinc/24/15/38/1066241538.db2.gz OPBJHUGOCYNYNI-BIYCFNCWSA-N 1 0 475.677 4.836 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361032153 1066245011 /nfs/dbraw/zinc/24/50/11/1066245011.db2.gz MHGVNSFIHXGRAQ-UFHPHHKVSA-N 1 0 483.701 4.726 20 0 JJADRO CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCCC[C@H]3[C@H](C)C[NH+](C)C)c2)cc1 ZINC001454118483 1066247911 /nfs/dbraw/zinc/24/79/11/1066247911.db2.gz GMFQMOOAFVRKQM-ZBLYBZFDSA-N 1 0 450.623 4.980 20 0 JJADRO Cc1ccc([C@@](O)(CC(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)C(F)(F)F)o1 ZINC001454123754 1066248383 /nfs/dbraw/zinc/24/83/83/1066248383.db2.gz YBAWRHYEQQQNFI-QHCPKHFHSA-N 1 0 452.517 4.630 20 0 JJADRO O=C(CCOc1ccccc1Br)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454123147 1066248700 /nfs/dbraw/zinc/24/87/00/1066248700.db2.gz VOMZPUXNLUKWLR-FQEVSTJZSA-N 1 0 457.412 4.637 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001454132734 1066249538 /nfs/dbraw/zinc/24/95/38/1066249538.db2.gz WYNQVCQEHRIRDH-QVKFZJNVSA-N 1 0 451.442 4.917 20 0 JJADRO COc1ccc2c(c1)c(C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1)c(C)n2C1CCCCC1 ZINC001454152712 1066249997 /nfs/dbraw/zinc/24/99/97/1066249997.db2.gz SEAKSAHNUABJLH-UHFFFAOYSA-N 1 0 455.643 4.676 20 0 JJADRO CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545953386 1066250433 /nfs/dbraw/zinc/25/04/33/1066250433.db2.gz XGZYQVOVGNCDFI-NNMXDRDESA-N 1 0 476.065 4.807 20 0 JJADRO CN(C(=O)c1cc(Br)c2ccccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001443007860 1066251969 /nfs/dbraw/zinc/25/19/69/1066251969.db2.gz ABAWNYKEXNJOHZ-UHFFFAOYSA-N 1 0 452.396 4.776 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361035208 1066253096 /nfs/dbraw/zinc/25/30/96/1066253096.db2.gz SCWISQAEMASFMX-MUUNZHRXSA-N 1 0 483.701 4.726 20 0 JJADRO CCC[NH+]1CCC(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)CC1 ZINC001443015470 1066253434 /nfs/dbraw/zinc/25/34/34/1066253434.db2.gz IYXSPSOGUXDUPD-IBGZPJMESA-N 1 0 457.537 4.509 20 0 JJADRO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001454271563 1066262045 /nfs/dbraw/zinc/26/20/45/1066262045.db2.gz VWODTDKLZVVFPH-MUUNZHRXSA-N 1 0 452.639 4.547 20 0 JJADRO Cc1cc(C)cc(OCc2nnc(N3CCSCC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001361039777 1066262299 /nfs/dbraw/zinc/26/22/99/1066262299.db2.gz UCGLHICMLSPIFM-VXKWHMMOSA-N 1 0 471.715 4.784 20 0 JJADRO CCCc1c(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001454312427 1066268809 /nfs/dbraw/zinc/26/88/09/1066268809.db2.gz MLEYBLSIVOTLFP-HSZRJFAPSA-N 1 0 459.638 4.830 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3CCC(C[N@@H+](C)Cc4ccccc4)CC3)c2)n1 ZINC001443109305 1066270063 /nfs/dbraw/zinc/27/00/63/1066270063.db2.gz USSMOIKEPRUONU-UHFFFAOYSA-N 1 0 459.594 4.527 20 0 JJADRO Cc1cc(C)c2c(c1)N(C(=O)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)CCC2 ZINC001443167768 1066276473 /nfs/dbraw/zinc/27/64/73/1066276473.db2.gz SIAAEPLDRGZVLD-QHCPKHFHSA-N 1 0 451.611 4.608 20 0 JJADRO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001454394084 1066276615 /nfs/dbraw/zinc/27/66/15/1066276615.db2.gz ANJUVVCBVAADJL-UIOOFZCWSA-N 1 0 457.659 4.688 20 0 JJADRO Cc1csc(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1I ZINC001443173062 1066277476 /nfs/dbraw/zinc/27/74/76/1066277476.db2.gz YQCMGPNSCHSODN-MRXNPFEDSA-N 1 0 454.377 4.618 20 0 JJADRO C[C@H](CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399487 1066277721 /nfs/dbraw/zinc/27/77/21/1066277721.db2.gz FWUGBIXKESPMOR-IMSXRSKXSA-N 1 0 457.659 4.687 20 0 JJADRO CCOc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)ccc1OCc1cccnc1 ZINC001454400429 1066278084 /nfs/dbraw/zinc/27/80/84/1066278084.db2.gz LCQOKTWVANUIOQ-BWKNWUBXSA-N 1 0 459.590 4.700 20 0 JJADRO Cc1sc2ncnc(SCCC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C)c2c1C ZINC001454408325 1066280232 /nfs/dbraw/zinc/28/02/32/1066280232.db2.gz SSXLOACOJXZLET-OXQOHEQNSA-N 1 0 454.665 4.817 20 0 JJADRO Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N3CCC[C@H]3C[NH+](C)C)cc12 ZINC001443211219 1066280392 /nfs/dbraw/zinc/28/03/92/1066280392.db2.gz BOVFJLBWGHPZIU-AWEZNQCLSA-N 1 0 451.423 4.928 20 0 JJADRO Cc1cc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2n1 ZINC001361049903 1066283806 /nfs/dbraw/zinc/28/38/06/1066283806.db2.gz QRAVNXQSAJKWGH-IBGZPJMESA-N 1 0 450.631 4.536 20 0 JJADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1 ZINC001443261671 1066286324 /nfs/dbraw/zinc/28/63/24/1066286324.db2.gz FZOHUFHJWPUFCF-UHFFFAOYSA-N 1 0 459.434 4.785 20 0 JJADRO CCC1([NH+]2CCOCC2)CCN(C(=O)Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001454475599 1066289087 /nfs/dbraw/zinc/28/90/87/1066289087.db2.gz DKCZOLLLXCCXJG-UHFFFAOYSA-N 1 0 457.014 4.565 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001546062108 1066290382 /nfs/dbraw/zinc/29/03/82/1066290382.db2.gz KZKYXWJXYPSJRZ-BKMJKUGQSA-N 1 0 469.674 4.772 20 0 JJADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(Nc4nccs4)cc3F)cc2F)CC1 ZINC001443298751 1066291884 /nfs/dbraw/zinc/29/18/84/1066291884.db2.gz RRYMDAYOTLTVBR-UHFFFAOYSA-N 1 0 457.550 4.948 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CCC1CC1)[NH+]1CCCC1 ZINC001545956819 1066292266 /nfs/dbraw/zinc/29/22/66/1066292266.db2.gz JNFBFZGEWOWGQR-LJQANCHMSA-N 1 0 463.468 4.547 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1OC)[NH+]1CCCC1 ZINC001545956873 1066294330 /nfs/dbraw/zinc/29/43/30/1066294330.db2.gz KKNRGTOHJBLJQM-LJQANCHMSA-N 1 0 487.446 4.555 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1OC)[NH+]1CCCC1 ZINC001545956872 1066294583 /nfs/dbraw/zinc/29/45/83/1066294583.db2.gz KKNRGTOHJBLJQM-IBGZPJMESA-N 1 0 487.446 4.555 20 0 JJADRO CCC1([NH+](C)C)CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC001454516515 1066294927 /nfs/dbraw/zinc/29/49/27/1066294927.db2.gz XSJCKMMFPKQAQF-SFHVURJKSA-N 1 0 457.537 4.604 20 0 JJADRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)ccc2NC1=O ZINC001361056717 1066297918 /nfs/dbraw/zinc/29/79/18/1066297918.db2.gz AEOSHHQPFPHXHK-VRAWNYFSSA-N 1 0 463.622 4.768 20 0 JJADRO O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001443359961 1066301710 /nfs/dbraw/zinc/30/17/10/1066301710.db2.gz VCNLBIGULOFKHI-UNMCSNQZSA-N 1 0 453.936 4.704 20 0 JJADRO CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CCCSC)[NH+]1CCCC1 ZINC001545957641 1066302521 /nfs/dbraw/zinc/30/25/21/1066302521.db2.gz ZDVKDFNAGPXRJV-HXUWFJFHSA-N 1 0 452.672 4.865 20 0 JJADRO Cc1cc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)no1 ZINC001361063519 1066302814 /nfs/dbraw/zinc/30/28/14/1066302814.db2.gz LNYPYDIJBUGKHT-NRFANRHFSA-N 1 0 471.030 4.820 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)C[NH+]2CCCCC2)no1 ZINC001361064527 1066303760 /nfs/dbraw/zinc/30/37/60/1066303760.db2.gz HVOVMAUBPBMZQR-LJQANCHMSA-N 1 0 466.630 4.529 20 0 JJADRO Cc1cc(CN(C)c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC001361066622 1066306315 /nfs/dbraw/zinc/30/63/15/1066306315.db2.gz MPGIJRDTGQINFZ-OALUTQOASA-N 1 0 484.620 4.686 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1ccsc1)[NH+]1CCCC1 ZINC001545958257 1066307924 /nfs/dbraw/zinc/30/79/24/1066307924.db2.gz ADDRSVVWKBCMHG-FQEVSTJZSA-N 1 0 455.628 4.535 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001546063741 1066309236 /nfs/dbraw/zinc/30/92/36/1066309236.db2.gz BLRRNLPSGYVQIP-SIKLNZKXSA-N 1 0 464.427 4.813 20 0 JJADRO C[C@@H](CNC(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1)C[NH+]1CCN(C)CC1 ZINC001443435064 1066310722 /nfs/dbraw/zinc/31/07/22/1066310722.db2.gz ZAXIRFQNTOJLAG-INIZCTEOSA-N 1 0 452.451 4.758 20 0 JJADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC(C)C)C(C)C)[NH+]1CCCC1 ZINC001545958555 1066311501 /nfs/dbraw/zinc/31/15/01/1066311501.db2.gz GKEUKPIPYGREGP-GOSISDBHSA-N 1 0 451.457 4.781 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)CCC(=O)c2c(F)cccc2F)cc1 ZINC001454633524 1066313268 /nfs/dbraw/zinc/31/32/68/1066313268.db2.gz LSEGFSLOCUGRKH-WIOPSUGQSA-N 1 0 478.539 4.721 20 0 JJADRO C[NH+]1CCN(c2ccnc(NC(=O)c3cc(F)ccc3-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001454651681 1066314855 /nfs/dbraw/zinc/31/48/55/1066314855.db2.gz ZLTYQEJIOAHTSP-UHFFFAOYSA-N 1 0 458.459 4.911 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001545959477 1066315126 /nfs/dbraw/zinc/31/51/26/1066315126.db2.gz WPFKDXVZKGCPAT-IBGZPJMESA-N 1 0 451.537 4.607 20 0 JJADRO CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@](C)(OC)C1)[NH+]1CCCC1 ZINC001545959451 1066315146 /nfs/dbraw/zinc/31/51/46/1066315146.db2.gz WGMIHGYALZPQFK-FDDCHVKYSA-N 1 0 494.453 4.726 20 0 JJADRO O=C(c1ccn2cc(C(F)(F)F)nc2c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001443534424 1066325405 /nfs/dbraw/zinc/32/54/05/1066325405.db2.gz BFSKQWGZLLMMIH-UHFFFAOYSA-N 1 0 450.892 4.745 20 0 JJADRO Cc1ccc2nc(CSCC(=O)N(CC[NH+]3CCCC3)Cc3ccc(Cl)cc3)cn2c1 ZINC001443534460 1066325585 /nfs/dbraw/zinc/32/55/85/1066325585.db2.gz BVNQLORATNAOAH-UHFFFAOYSA-N 1 0 457.043 4.654 20 0 JJADRO CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1ccc(C)s1)[NH+]1CCCC1 ZINC001545959658 1066326063 /nfs/dbraw/zinc/32/60/63/1066326063.db2.gz ZVEWEOQSIKMWLF-HXUWFJFHSA-N 1 0 469.655 4.843 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001546064808 1066327082 /nfs/dbraw/zinc/32/70/82/1066327082.db2.gz WQEPZOJNZKLPRU-YADHBBJMSA-N 1 0 478.504 4.771 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@@H](C)[NH+](C)C ZINC001361087681 1066327504 /nfs/dbraw/zinc/32/75/04/1066327504.db2.gz ADJXBSADBRTRTD-QGZVFWFLSA-N 1 0 485.982 4.900 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC(F)(F)F ZINC001361087764 1066327762 /nfs/dbraw/zinc/32/77/62/1066327762.db2.gz CAYUJWOIACIEQW-UHFFFAOYSA-N 1 0 473.971 4.781 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001361087964 1066328506 /nfs/dbraw/zinc/32/85/06/1066328506.db2.gz DKKWPOAVGNKIOG-IFMALSPDSA-N 1 0 490.092 4.599 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001443557025 1066328989 /nfs/dbraw/zinc/32/89/89/1066328989.db2.gz YZFUPEPGAQBTSP-HSZRJFAPSA-N 1 0 451.611 4.766 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC(=O)N(C2CC2)C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001443568506 1066329525 /nfs/dbraw/zinc/32/95/25/1066329525.db2.gz LPSOZDZFMOZYLU-UHFFFAOYSA-N 1 0 455.643 4.870 20 0 JJADRO C[C@@H](C(=O)NCc1cc(F)c(Br)cc1F)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001454741247 1066329970 /nfs/dbraw/zinc/32/99/70/1066329970.db2.gz ZOHVCFQBWYSTKC-HNNXBMFYSA-N 1 0 451.355 4.687 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001361088640 1066331927 /nfs/dbraw/zinc/33/19/27/1066331927.db2.gz KNRIRQQJWIHNQN-VXKWHMMOSA-N 1 0 490.092 4.741 20 0 JJADRO Cc1ccc(C)n1-c1nc(CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cs1 ZINC001443582272 1066332417 /nfs/dbraw/zinc/33/24/17/1066332417.db2.gz SUSSTKXHJCXMGK-UHFFFAOYSA-N 1 0 457.043 4.775 20 0 JJADRO CCN1CCC([NH+]2CCC(C(=O)N3CCC[C@]3(C)Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC001454791283 1066334115 /nfs/dbraw/zinc/33/41/15/1066334115.db2.gz PRYGBVSHGNONSB-RUZDIDTESA-N 1 0 450.042 4.599 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001361089010 1066334406 /nfs/dbraw/zinc/33/44/06/1066334406.db2.gz OUHZRMJQNDBGMA-HJNYFJLDSA-N 1 0 490.092 4.597 20 0 JJADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC001443604767 1066336064 /nfs/dbraw/zinc/33/60/64/1066336064.db2.gz YWDZNELWEFUIFG-QGZVFWFLSA-N 1 0 458.027 4.744 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC=CCC2)n1CC[NH+]1CCC(C)CC1 ZINC001361089505 1066336152 /nfs/dbraw/zinc/33/61/52/1066336152.db2.gz VZDWOGYSNHEUHJ-UHFFFAOYSA-N 1 0 458.050 4.750 20 0 JJADRO CC(C)(C)OC(=O)NCCc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001454842449 1066336243 /nfs/dbraw/zinc/33/62/43/1066336243.db2.gz FBOVOCZZBPRHJI-HSZRJFAPSA-N 1 0 451.611 4.538 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001361090088 1066338106 /nfs/dbraw/zinc/33/81/06/1066338106.db2.gz AIFXEOKHSXRVIS-FCEUIQTBSA-N 1 0 490.092 4.597 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC(C)(C)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001361090770 1066339672 /nfs/dbraw/zinc/33/96/72/1066339672.db2.gz JPPBNQUEKQVYST-FQEVSTJZSA-N 1 0 490.092 4.599 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001361091159 1066340301 /nfs/dbraw/zinc/34/03/01/1066340301.db2.gz NIMNYKSHURMIIE-UZKOGDIHSA-N 1 0 478.056 4.778 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001361091555 1066340979 /nfs/dbraw/zinc/34/09/79/1066340979.db2.gz QPMZABINRFKRFW-FPOVZHCZSA-N 1 0 492.133 4.925 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001546066558 1066341343 /nfs/dbraw/zinc/34/13/43/1066341343.db2.gz QPRZZJZONMDXCI-VQTJNVASSA-N 1 0 484.533 4.833 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001546066488 1066341418 /nfs/dbraw/zinc/34/14/18/1066341418.db2.gz OUDMECCAKFYRAK-WMZHIEFXSA-N 1 0 476.463 4.683 20 0 JJADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCCSC1 ZINC001361092041 1066342645 /nfs/dbraw/zinc/34/26/45/1066342645.db2.gz YQWIEQHVNQZVTJ-NRFANRHFSA-N 1 0 492.133 4.925 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC(F)C1)[NH+]1CCCC1 ZINC001545960805 1066343444 /nfs/dbraw/zinc/34/34/44/1066343444.db2.gz KBUFTUJEZPFAOK-GPANFISMSA-N 1 0 470.456 4.828 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001546066960 1066347014 /nfs/dbraw/zinc/34/70/14/1066347014.db2.gz YPXVEEOCZFQVTA-FNZWTVRRSA-N 1 0 455.647 4.711 20 0 JJADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)C2)cc1 ZINC001455008636 1066352782 /nfs/dbraw/zinc/35/27/82/1066352782.db2.gz FYUANLQAMSAEJW-FQEVSTJZSA-N 1 0 456.011 4.617 20 0 JJADRO Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361103153 1066353101 /nfs/dbraw/zinc/35/31/01/1066353101.db2.gz UCHZONPYDNIJPU-OYRHEFFESA-N 1 0 480.682 4.714 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@H](COC)C1)[NH+]1CCCC1 ZINC001545961325 1066355190 /nfs/dbraw/zinc/35/51/90/1066355190.db2.gz SWEZBIRKVUREEZ-SIKLNZKXSA-N 1 0 490.490 4.835 20 0 JJADRO C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001443723071 1066357027 /nfs/dbraw/zinc/35/70/27/1066357027.db2.gz BLDFXODKDUXEEC-SFTDATJTSA-N 1 0 455.593 4.513 20 0 JJADRO Cc1cccc(OCCN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361112020 1066363015 /nfs/dbraw/zinc/36/30/15/1066363015.db2.gz JNCJWIQSPHQJMQ-JOCHJYFZSA-N 1 0 462.642 4.674 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001361113910 1066364835 /nfs/dbraw/zinc/36/48/35/1066364835.db2.gz WWILCQWNSRVNAB-OAQYLSRUSA-N 1 0 496.725 4.968 20 0 JJADRO Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCCCC3)CC2)s1 ZINC001361117816 1066368895 /nfs/dbraw/zinc/36/88/95/1066368895.db2.gz NTLFSQORTBQXDB-UHFFFAOYSA-N 1 0 486.730 4.511 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCC[NH+]2CCCC2)c1 ZINC001361123437 1066373333 /nfs/dbraw/zinc/37/33/33/1066373333.db2.gz AVHZFKKCOPLYEG-OAQYLSRUSA-N 1 0 457.688 4.717 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccon3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361123553 1066373911 /nfs/dbraw/zinc/37/39/11/1066373911.db2.gz FCQUKWVWSSFNJU-OAQYLSRUSA-N 1 0 466.630 4.645 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3cscn3)n2CC[NH+]2CCCCC2)c1 ZINC001361123572 1066373938 /nfs/dbraw/zinc/37/39/38/1066373938.db2.gz FXYIKJHYIYEGSC-UHFFFAOYSA-N 1 0 468.671 4.868 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[NH+]1CCCC1 ZINC001545962776 1066375338 /nfs/dbraw/zinc/37/53/38/1066375338.db2.gz JYXPQHJEVULOPE-LJQANCHMSA-N 1 0 495.981 4.862 20 0 JJADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)cc1Cl ZINC001443851290 1066376251 /nfs/dbraw/zinc/37/62/51/1066376251.db2.gz RMKLQLNJINLEOC-OAQYLSRUSA-N 1 0 454.329 4.595 20 0 JJADRO CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001443849492 1066376450 /nfs/dbraw/zinc/37/64/50/1066376450.db2.gz NEOOCOQUIHDTHE-SFHVURJKSA-N 1 0 456.027 4.891 20 0 JJADRO C[C@H]1CC[C@H](c2nc(CC(=O)NCCC3(O)CC[NH+](Cc4ccccc4)CC3)cs2)CC1 ZINC001455257363 1066376537 /nfs/dbraw/zinc/37/65/37/1066376537.db2.gz WKEBXAVFBLJHHT-AQYVVDRMSA-N 1 0 455.668 4.513 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001361125968 1066381462 /nfs/dbraw/zinc/38/14/62/1066381462.db2.gz IDRUEACSCYSTFB-SGNDLWITSA-N 1 0 483.701 4.761 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001545963077 1066382599 /nfs/dbraw/zinc/38/25/99/1066382599.db2.gz PRZJROMMHZXFMC-NRFANRHFSA-N 1 0 455.578 4.764 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361126265 1066383489 /nfs/dbraw/zinc/38/34/89/1066383489.db2.gz PDVJBGPGAYSQEA-VXKWHMMOSA-N 1 0 469.674 4.777 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCO[C@H](C)C1)[NH+]1CCCC1 ZINC001545963181 1066385189 /nfs/dbraw/zinc/38/51/89/1066385189.db2.gz RAVOHHDIXTYLAV-QUCCMNQESA-N 1 0 476.463 4.506 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361126716 1066385881 /nfs/dbraw/zinc/38/58/81/1066385881.db2.gz ZBNRTLGCYXMJSQ-VJBWXMMDSA-N 1 0 469.674 4.634 20 0 JJADRO C[C@H]([NH2+]C1(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CCOCC1)c1ccccc1 ZINC001443933068 1066386601 /nfs/dbraw/zinc/38/66/01/1066386601.db2.gz XPTFBVYBSRWFGL-IBGZPJMESA-N 1 0 453.583 4.663 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001361127273 1066387302 /nfs/dbraw/zinc/38/73/02/1066387302.db2.gz GQPATHPPCNLQLJ-UHFFFAOYSA-N 1 0 498.716 4.514 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](COC)C1)[NH+]1CCCC1 ZINC001545963441 1066388528 /nfs/dbraw/zinc/38/85/28/1066388528.db2.gz WNPBVDWWDAPDRS-CTNGQTDRSA-N 1 0 490.490 4.753 20 0 JJADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC001455421460 1066389115 /nfs/dbraw/zinc/38/91/15/1066389115.db2.gz UYYTUBNHRVOAHO-DANFDKMISA-N 1 0 463.021 4.622 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@](C)(O)C2CC2)c1 ZINC001361128336 1066391418 /nfs/dbraw/zinc/39/14/18/1066391418.db2.gz WRDQKYDQJZAVJS-NDEPHWFRSA-N 1 0 483.701 4.761 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCC[C@@H](O)C2)c1 ZINC001361128275 1066391577 /nfs/dbraw/zinc/39/15/77/1066391577.db2.gz VXWUNXRAFYIZIG-LADGPHEKSA-N 1 0 483.701 4.807 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(c4cccs4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001361129784 1066393962 /nfs/dbraw/zinc/39/39/62/1066393962.db2.gz DQDJHFSPDWZCGZ-NRFANRHFSA-N 1 0 482.698 4.627 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@@H]3C)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001361131187 1066398408 /nfs/dbraw/zinc/39/84/08/1066398408.db2.gz BAPUPWMBHCPNDU-REWPJTCUSA-N 1 0 483.682 4.878 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCC2)C1 ZINC001546073288 1066399543 /nfs/dbraw/zinc/39/95/43/1066399543.db2.gz QVRWXFDJHXHMOV-HFZDXXHNSA-N 1 0 474.694 4.505 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCC2)C1 ZINC001546073289 1066399706 /nfs/dbraw/zinc/39/97/06/1066399706.db2.gz QVRWXFDJHXHMOV-LVXARBLLSA-N 1 0 474.694 4.505 20 0 JJADRO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001444074805 1066400309 /nfs/dbraw/zinc/40/03/09/1066400309.db2.gz BTBNEZRHHWJONP-SFHVURJKSA-N 1 0 459.619 4.715 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)NCC3([NH2+][C@H](C)c4ccccc4)CCCC3)c2)n1 ZINC001444084273 1066402176 /nfs/dbraw/zinc/40/21/76/1066402176.db2.gz DSJPAGGXMVMMTL-HXUWFJFHSA-N 1 0 459.594 4.936 20 0 JJADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@H]3C)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001361132500 1066403116 /nfs/dbraw/zinc/40/31/16/1066403116.db2.gz ZOOQZRRJZUAFDZ-JOCHJYFZSA-N 1 0 469.674 4.636 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=C(COC)CC1)[NH+]1CCCC1 ZINC001545964267 1066403996 /nfs/dbraw/zinc/40/39/96/1066403996.db2.gz ATCXRLZDPOTXEP-LJQANCHMSA-N 1 0 492.437 4.504 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](OCC(C)C)C1)[NH+]1CCCC1 ZINC001545964382 1066405530 /nfs/dbraw/zinc/40/55/30/1066405530.db2.gz CSRCTVJIYOECDS-PMACEKPBSA-N 1 0 464.029 4.863 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001545964573 1066410972 /nfs/dbraw/zinc/41/09/72/1066410972.db2.gz GYIMCVPEPVUINF-NQIIRXRSSA-N 1 0 464.029 4.863 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCCOCC2)[NH+](C)C)cc1 ZINC001361137267 1066412257 /nfs/dbraw/zinc/41/22/57/1066412257.db2.gz ZZMBQQSRPWBSJK-GOSISDBHSA-N 1 0 490.471 4.607 20 0 JJADRO Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001361137178 1066412343 /nfs/dbraw/zinc/41/23/43/1066412343.db2.gz YHQWDWDALFIRTH-NOZRDPDXSA-N 1 0 496.700 4.815 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC001361138505 1066413768 /nfs/dbraw/zinc/41/37/68/1066413768.db2.gz AZRYYEJHZGYQBT-FYYLOGMGSA-N 1 0 453.656 4.790 20 0 JJADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccncc2)cc1 ZINC001444140282 1066414494 /nfs/dbraw/zinc/41/44/94/1066414494.db2.gz RDDYDMSKMGHDJY-QFIPXVFZSA-N 1 0 455.480 4.684 20 0 JJADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(NCc2ccccn2)c1 ZINC001444141858 1066414643 /nfs/dbraw/zinc/41/46/43/1066414643.db2.gz VQTQLKCBKPSJSF-HSZRJFAPSA-N 1 0 454.496 4.717 20 0 JJADRO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001361139709 1066415864 /nfs/dbraw/zinc/41/58/64/1066415864.db2.gz OBWPTTIKDVGXQW-VWLOTQADSA-N 1 0 494.728 4.753 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361139753 1066416278 /nfs/dbraw/zinc/41/62/78/1066416278.db2.gz OSCJFLPFCFWGDA-KCWPFWIISA-N 1 0 462.642 4.593 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361139755 1066416599 /nfs/dbraw/zinc/41/65/99/1066416599.db2.gz OSCJFLPFCFWGDA-YIXXDRMTSA-N 1 0 462.642 4.593 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3cccn3C)nnc2N2CCC(OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC001361139771 1066416638 /nfs/dbraw/zinc/41/66/38/1066416638.db2.gz PBWULSWUGZXPCS-XMMPIXPASA-N 1 0 464.658 4.679 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC2CC(F)C2)[NH+](C)C)cc1 ZINC001361140288 1066417184 /nfs/dbraw/zinc/41/71/84/1066417184.db2.gz YCQQSWXJTHTGCV-FBPXKMNZSA-N 1 0 456.997 4.789 20 0 JJADRO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCSC3(CCOCC3)C2)[NH+](C)C)cc1 ZINC001361139980 1066417252 /nfs/dbraw/zinc/41/72/52/1066417252.db2.gz SHYUBGUBHNDXQG-JOCHJYFZSA-N 1 0 471.715 4.580 20 0 JJADRO Cc1ccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001361140343 1066417267 /nfs/dbraw/zinc/41/72/67/1066417267.db2.gz YZWYWQCFDBVAFK-YADHBBJMSA-N 1 0 483.060 4.856 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC001361140534 1066418089 /nfs/dbraw/zinc/41/80/89/1066418089.db2.gz CKZJIDPYQSCMGL-XMMPIXPASA-N 1 0 451.663 4.622 20 0 JJADRO Cc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC001361140690 1066418904 /nfs/dbraw/zinc/41/89/04/1066418904.db2.gz FMIGGYRJIUYWLO-VQTJNVASSA-N 1 0 451.537 4.520 20 0 JJADRO Cc1ccc([C@@H](Cn2c(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001361140595 1066418922 /nfs/dbraw/zinc/41/89/22/1066418922.db2.gz DJBQYWJYAKEYSU-ZJSXRUAMSA-N 1 0 482.717 4.564 20 0 JJADRO Cc1ccc([C@H](Cn2c(N3CC[C@H](C)C(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001361140859 1066419425 /nfs/dbraw/zinc/41/94/25/1066419425.db2.gz HRWPPKOMNVOQHA-SNUWEPMUSA-N 1 0 483.701 4.802 20 0 JJADRO Cc1ccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)OC(C)(C)C2)[NH+](C)C)cc1 ZINC001361141266 1066420129 /nfs/dbraw/zinc/42/01/29/1066420129.db2.gz LVYXPSULTHTBMB-KELGSRBJSA-N 1 0 483.701 4.812 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCCC1 ZINC001545965255 1066420071 /nfs/dbraw/zinc/42/00/71/1066420071.db2.gz TXYYACSCYSZJBF-ZIFCJYIRSA-N 1 0 464.079 4.812 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC001545965202 1066420181 /nfs/dbraw/zinc/42/01/81/1066420181.db2.gz RQNUULQDKCVDJV-FQEVSTJZSA-N 1 0 485.032 4.522 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC001545965339 1066420893 /nfs/dbraw/zinc/42/08/93/1066420893.db2.gz WAUUVAHIHBDMDC-QGZVFWFLSA-N 1 0 487.426 4.513 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001444164950 1066423656 /nfs/dbraw/zinc/42/36/56/1066423656.db2.gz HRVBPHNKINHPQX-QZTJIDSGSA-N 1 0 450.649 4.536 20 0 JJADRO CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001444169414 1066424602 /nfs/dbraw/zinc/42/46/02/1066424602.db2.gz MGPGKUZVGFRYEV-SFTDATJTSA-N 1 0 455.672 4.596 20 0 JJADRO CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001444169403 1066424865 /nfs/dbraw/zinc/42/48/65/1066424865.db2.gz MGPGKUZVGFRYEV-LEWJYISDSA-N 1 0 455.672 4.596 20 0 JJADRO Cc1ccc(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001361144611 1066426917 /nfs/dbraw/zinc/42/69/17/1066426917.db2.gz KBHMEVUWHPJDHL-QHCPKHFHSA-N 1 0 454.707 4.786 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001361145634 1066428896 /nfs/dbraw/zinc/42/88/96/1066428896.db2.gz DSAOUVLXNNPWBD-FCHUYYIVSA-N 1 0 457.688 4.680 20 0 JJADRO Cc1ccc(N(C(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)C2CCC2)cc1 ZINC001455787135 1066430732 /nfs/dbraw/zinc/43/07/32/1066430732.db2.gz LWEAWPJAZKMBQK-XMMPIXPASA-N 1 0 451.611 4.906 20 0 JJADRO C[C@@H]1CCC[C@H](C)CN1C(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001444217553 1066431023 /nfs/dbraw/zinc/43/10/23/1066431023.db2.gz JPRHVJQPXVASNZ-FCHUYYIVSA-N 1 0 457.659 4.973 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccn3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001361146250 1066432383 /nfs/dbraw/zinc/43/23/83/1066432383.db2.gz XNOVBXNYGALNAK-HSZRJFAPSA-N 1 0 476.650 4.870 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC001545966333 1066433023 /nfs/dbraw/zinc/43/30/23/1066433023.db2.gz BYPIKLLGLKBNTD-QHCPKHFHSA-N 1 0 469.674 4.860 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001361148218 1066433850 /nfs/dbraw/zinc/43/38/50/1066433850.db2.gz DNPPNTPVFQURIT-HSZRJFAPSA-N 1 0 469.674 4.601 20 0 JJADRO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)CN(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001455811056 1066435770 /nfs/dbraw/zinc/43/57/70/1066435770.db2.gz MHZGQZZYJLVWMB-UHFFFAOYSA-N 1 0 453.583 4.535 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001361149200 1066438613 /nfs/dbraw/zinc/43/86/13/1066438613.db2.gz MDYGNLUZDPWMPE-VWLOTQADSA-N 1 0 483.701 4.847 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001361151379 1066442659 /nfs/dbraw/zinc/44/26/59/1066442659.db2.gz IFZZBJPIDGYRNW-PKTZIBPZSA-N 1 0 469.674 4.598 20 0 JJADRO C[C@H](NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC001444279374 1066442786 /nfs/dbraw/zinc/44/27/86/1066442786.db2.gz LGDQMBGSLQLBHI-LBPRGKRZSA-N 1 0 450.427 4.616 20 0 JJADRO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCc1ccc(Cl)cc1Cl ZINC001444287827 1066444072 /nfs/dbraw/zinc/44/40/72/1066444072.db2.gz ZCTVLEHIHPMUFP-MRXNPFEDSA-N 1 0 451.394 4.995 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001361151905 1066444722 /nfs/dbraw/zinc/44/47/22/1066444722.db2.gz GFERXMDCRNGNNI-RLWLMLJZSA-N 1 0 471.715 4.784 20 0 JJADRO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001444300359 1066445273 /nfs/dbraw/zinc/44/52/73/1066445273.db2.gz QIASISMJRTXHSX-YMPZKCBVSA-N 1 0 455.643 4.678 20 0 JJADRO Cc1csc(C[C@@H]2CCCN(C(=O)[C@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001455887524 1066446262 /nfs/dbraw/zinc/44/62/62/1066446262.db2.gz KQFUWCYBAPVXSV-UGKGYDQZSA-N 1 0 451.558 4.687 20 0 JJADRO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCC4)c(C)c3)CCCC2)cc1OC ZINC001444340615 1066451616 /nfs/dbraw/zinc/45/16/16/1066451616.db2.gz AQTAVQGYXJYCCP-UHFFFAOYSA-N 1 0 452.595 4.937 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCO[C@H]2C(C)C)c1 ZINC001361155117 1066452993 /nfs/dbraw/zinc/45/29/93/1066452993.db2.gz LZARBAHZQKQICC-GJZUVCINSA-N 1 0 469.674 4.502 20 0 JJADRO Cc1cc(NC(=O)c2ccccc2CNC(=O)OC(C)(C)C)ccc1OCC[NH+]1CCCC1 ZINC001444355652 1066453852 /nfs/dbraw/zinc/45/38/52/1066453852.db2.gz TUFBPZJSSVBSOI-UHFFFAOYSA-N 1 0 453.583 4.747 20 0 JJADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cccc(OCc4cscn4)c3)cc2)CC1 ZINC001444355258 1066453908 /nfs/dbraw/zinc/45/39/08/1066453908.db2.gz VFRDKNPEXIGMLE-UHFFFAOYSA-N 1 0 450.608 4.752 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccc(Cl)nc2)c1 ZINC001361155372 1066454169 /nfs/dbraw/zinc/45/41/69/1066454169.db2.gz TXOKJSZKVDBNAY-UHFFFAOYSA-N 1 0 469.033 4.537 20 0 JJADRO Cc1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)ccc1OCC[NH+]1CCCC1 ZINC001444357737 1066454450 /nfs/dbraw/zinc/45/44/50/1066454450.db2.gz XCTOXHFMQJJCGV-UHFFFAOYSA-N 1 0 455.555 4.775 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCC[NH+]2CCCC2)c1 ZINC001361156010 1066456875 /nfs/dbraw/zinc/45/68/75/1066456875.db2.gz KMEMIHWIOOOUSA-HXUWFJFHSA-N 1 0 465.564 4.739 20 0 JJADRO CS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1Cl ZINC001455946834 1066457568 /nfs/dbraw/zinc/45/75/68/1066457568.db2.gz DIFSASLFMOKORW-LEWJYISDSA-N 1 0 461.027 4.620 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546077891 1066460037 /nfs/dbraw/zinc/46/00/37/1066460037.db2.gz XQMBLRDPFFLMJU-RZIGYZOXSA-N 1 0 483.701 4.586 20 0 JJADRO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c3ccccc3)cc21 ZINC001444409923 1066459925 /nfs/dbraw/zinc/45/99/25/1066459925.db2.gz QDLFJBBIIFYPBX-AREMUKBSSA-N 1 0 450.583 4.582 20 0 JJADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001444420676 1066460699 /nfs/dbraw/zinc/46/06/99/1066460699.db2.gz AGPWKDWIPJKURJ-MRXNPFEDSA-N 1 0 451.792 4.999 20 0 JJADRO CC[C@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSC[C@H]1C)[NH+]1CCCC1 ZINC001545967348 1066464601 /nfs/dbraw/zinc/46/46/01/1066464601.db2.gz VZQGCWNDGZJFLQ-SJLPKXTDSA-N 1 0 494.503 4.532 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CC(C)(C)C(C)C)c1 ZINC001361159824 1066465223 /nfs/dbraw/zinc/46/52/23/1066465223.db2.gz LIVYFAXLSNZEAY-HSZRJFAPSA-N 1 0 483.701 4.846 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCSC2(C)C)c1 ZINC001361159956 1066465808 /nfs/dbraw/zinc/46/58/08/1066465808.db2.gz PGZUAZGTAZQQCH-QFIPXVFZSA-N 1 0 471.715 4.784 20 0 JJADRO CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCSC(CC)(CC)C1)[NH+]1CCCC1 ZINC001545967488 1066465964 /nfs/dbraw/zinc/46/59/64/1066465964.db2.gz YSGPGFXKUWOWLZ-NRFANRHFSA-N 1 0 487.714 4.949 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C4CCC4)CC3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361160009 1066466561 /nfs/dbraw/zinc/46/65/61/1066466561.db2.gz RHPUXYCJOCHAPP-UHFFFAOYSA-N 1 0 465.564 4.737 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001444506164 1066469444 /nfs/dbraw/zinc/46/94/44/1066469444.db2.gz TWVIHXGTXXDUAA-QHCPKHFHSA-N 1 0 455.643 4.823 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001361163206 1066471957 /nfs/dbraw/zinc/47/19/57/1066471957.db2.gz KWUZLPUDNJTAEK-HMXCVIKNSA-N 1 0 479.591 4.840 20 0 JJADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC001444541358 1066473388 /nfs/dbraw/zinc/47/33/88/1066473388.db2.gz NHBNYKJNMKPECZ-UHFFFAOYSA-N 1 0 450.341 4.887 20 0 JJADRO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361164226 1066475729 /nfs/dbraw/zinc/47/57/29/1066475729.db2.gz ZANUOWOVTLNIAU-IFMALSPDSA-N 1 0 471.715 4.926 20 0 JJADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001361164706 1066476272 /nfs/dbraw/zinc/47/62/72/1066476272.db2.gz CHBGZAGFDHASHB-JDSVYEKJSA-N 1 0 453.671 4.612 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001361164697 1066476386 /nfs/dbraw/zinc/47/63/86/1066476386.db2.gz CHBGZAGFDHASHB-IHSPPPAMSA-N 1 0 453.671 4.612 20 0 JJADRO Cc1ccc(C2(C)CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@H](C)[NH+](C)C)CC2)cc1 ZINC001361166248 1066477667 /nfs/dbraw/zinc/47/76/67/1066477667.db2.gz RFODEPYXNDNYFT-LJQANCHMSA-N 1 0 453.034 4.810 20 0 JJADRO Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC001361166821 1066478490 /nfs/dbraw/zinc/47/84/90/1066478490.db2.gz AJAWKEIRQWJOOS-JWZKTCGFSA-N 1 0 467.702 4.641 20 0 JJADRO Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCCC3)C2)cc1 ZINC001361166922 1066479198 /nfs/dbraw/zinc/47/91/98/1066479198.db2.gz BUUSJVOCCKQNFG-MHZLTWQESA-N 1 0 453.675 4.539 20 0 JJADRO COc1cc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)ccc1OCc1ccccc1Cl ZINC001456024203 1066479769 /nfs/dbraw/zinc/47/97/69/1066479769.db2.gz IQXHLFCREMDQSW-JOCHJYFZSA-N 1 0 453.970 4.745 20 0 JJADRO O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001444609302 1066482183 /nfs/dbraw/zinc/48/21/83/1066482183.db2.gz PNMUUQMOAPDEBN-UHFFFAOYSA-N 1 0 451.398 4.843 20 0 JJADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC001444639232 1066486668 /nfs/dbraw/zinc/48/66/68/1066486668.db2.gz QXRHCVBZRJDZTC-AUSIDOKSSA-N 1 0 459.537 4.868 20 0 JJADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361171470 1066487133 /nfs/dbraw/zinc/48/71/33/1066487133.db2.gz UTTUFLDBAPIBSW-KNQAVFIVSA-N 1 0 455.578 4.540 20 0 JJADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)c1C ZINC001456041777 1066488727 /nfs/dbraw/zinc/48/87/27/1066488727.db2.gz WYSRFPKCQIEQOI-BFMBIBTESA-N 1 0 459.675 4.607 20 0 JJADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)[C@H](F)CC1CCCCC1 ZINC001444651955 1066488762 /nfs/dbraw/zinc/48/87/62/1066488762.db2.gz QVEVYUVANQBZMZ-OAQYLSRUSA-N 1 0 455.412 4.717 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@@H](C)c3ccccc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361175678 1066493477 /nfs/dbraw/zinc/49/34/77/1066493477.db2.gz UQJLWZYXHMKWLN-FCEUIQTBSA-N 1 0 465.642 4.974 20 0 JJADRO CCCOc1nc2ccccc2cc1/C=C\C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001456053444 1066494523 /nfs/dbraw/zinc/49/45/23/1066494523.db2.gz GKQWVCJEDQSCRL-BENRWUELSA-N 1 0 453.533 4.905 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C(F)(F)F)cnc1Cl ZINC001456054189 1066494978 /nfs/dbraw/zinc/49/49/78/1066494978.db2.gz HNYJIOAWAAOBOE-UHFFFAOYSA-N 1 0 453.814 4.977 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)/C=C\Sc1cc(F)ccc1F ZINC001456054157 1066495038 /nfs/dbraw/zinc/49/50/38/1066495038.db2.gz IZTMMUMUANQBCW-XFXZXTDPSA-N 1 0 455.368 4.924 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)/C=C/Sc1cc(F)ccc1F ZINC001456054151 1066495190 /nfs/dbraw/zinc/49/51/90/1066495190.db2.gz IZTMMUMUANQBCW-FMIVXFBMSA-N 1 0 455.368 4.924 20 0 JJADRO CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001546078910 1066495807 /nfs/dbraw/zinc/49/58/07/1066495807.db2.gz BOFJBTIIFDNRCN-JTNFPWQOSA-N 1 0 496.700 4.978 20 0 JJADRO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC001456055892 1066496587 /nfs/dbraw/zinc/49/65/87/1066496587.db2.gz JLXVMHQGRKLXNP-UHFFFAOYSA-N 1 0 453.008 4.656 20 0 JJADRO Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC001456056260 1066496625 /nfs/dbraw/zinc/49/66/25/1066496625.db2.gz LMLLQKDDOVEEOZ-UHFFFAOYSA-N 1 0 457.334 4.909 20 0 JJADRO Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1Br ZINC001456060100 1066497946 /nfs/dbraw/zinc/49/79/46/1066497946.db2.gz URKQJLBFJWILNU-UHFFFAOYSA-N 1 0 454.206 4.724 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361178110 1066498170 /nfs/dbraw/zinc/49/81/70/1066498170.db2.gz ZYSBOXMSDFOTRH-SFHVURJKSA-N 1 0 462.598 4.998 20 0 JJADRO O=C(CCCc1ccc2c(c1)OCCCO2)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001456069867 1066501709 /nfs/dbraw/zinc/50/17/09/1066501709.db2.gz BLHQERROMJMLTB-UHFFFAOYSA-N 1 0 457.014 4.949 20 0 JJADRO Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[N@H+]2CCC[C@H](C)C2)cc1Br ZINC001361181631 1066503745 /nfs/dbraw/zinc/50/37/45/1066503745.db2.gz RDSGOUOTLQWMKT-INIZCTEOSA-N 1 0 489.487 4.841 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001546079213 1066506130 /nfs/dbraw/zinc/50/61/30/1066506130.db2.gz HODOYUSWEMAYNA-JWZKTCGFSA-N 1 0 496.700 4.785 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1Br ZINC001361184282 1066507121 /nfs/dbraw/zinc/50/71/21/1066507121.db2.gz FAGVDRDLOOXYBP-AZUAARDMSA-N 1 0 490.490 4.611 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC001361184634 1066508119 /nfs/dbraw/zinc/50/81/19/1066508119.db2.gz PFRBISGRAINSQV-UHFFFAOYSA-N 1 0 491.522 4.524 20 0 JJADRO CC[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccoc1)[NH+]1CCCC1 ZINC001545969512 1066508152 /nfs/dbraw/zinc/50/81/52/1066508152.db2.gz ZDAIYECTGSBWDY-GOSISDBHSA-N 1 0 458.404 4.811 20 0 JJADRO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC[NH+](C(C)C)C(C)C)cc1Br ZINC001361184831 1066508621 /nfs/dbraw/zinc/50/86/21/1066508621.db2.gz VRJVPQXOTGVHBE-HXUWFJFHSA-N 1 0 492.506 4.998 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001546079442 1066509907 /nfs/dbraw/zinc/50/99/07/1066509907.db2.gz MNWLMNDHLKBDQR-AREMUKBSSA-N 1 0 470.731 4.531 20 0 JJADRO CC[C@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001546079452 1066510376 /nfs/dbraw/zinc/51/03/76/1066510376.db2.gz MSDUCMDLEYBESA-HFZDXXHNSA-N 1 0 455.647 4.613 20 0 JJADRO CC[NH+]1CCC(CCNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC1 ZINC001444834811 1066510913 /nfs/dbraw/zinc/51/09/13/1066510913.db2.gz GIOFWEOZUJYOOC-UHFFFAOYSA-N 1 0 458.400 4.553 20 0 JJADRO Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@H](C2CC2)[NH+](C)C)cc1Br ZINC001361187406 1066512020 /nfs/dbraw/zinc/51/20/20/1066512020.db2.gz QOWYTOQCJBVPFN-JOCHJYFZSA-N 1 0 490.490 4.609 20 0 JJADRO COc1ccc(Br)cc1-c1ncc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC001444853121 1066512543 /nfs/dbraw/zinc/51/25/43/1066512543.db2.gz PERCNVHYMFZFAU-HNNXBMFYSA-N 1 0 452.418 4.528 20 0 JJADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC001444854521 1066513606 /nfs/dbraw/zinc/51/36/06/1066513606.db2.gz ZZKMFDKHCAXSMS-BJKOFHAPSA-N 1 0 451.611 4.856 20 0 JJADRO O=C(c1ccc(-c2ccco2)[nH]c1=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868667 1066514758 /nfs/dbraw/zinc/51/47/58/1066514758.db2.gz SRIAVDKIHJGLJB-GOSISDBHSA-N 1 0 459.468 4.574 20 0 JJADRO CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001546079819 1066517228 /nfs/dbraw/zinc/51/72/28/1066517228.db2.gz UJQIWVPIHWHMHD-XXAUWVGASA-N 1 0 488.721 4.797 20 0 JJADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001361191614 1066518650 /nfs/dbraw/zinc/51/86/50/1066518650.db2.gz ADOPJVPIDPVSKD-DNQXCXABSA-N 1 0 451.611 4.590 20 0 JJADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001361191616 1066518713 /nfs/dbraw/zinc/51/87/13/1066518713.db2.gz ADOPJVPIDPVSKD-ZEQRLZLVSA-N 1 0 451.611 4.590 20 0 JJADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001361191613 1066518806 /nfs/dbraw/zinc/51/88/06/1066518806.db2.gz ADOPJVPIDPVSKD-BJKOFHAPSA-N 1 0 451.611 4.590 20 0 JJADRO CC(C)[C@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001444935310 1066519253 /nfs/dbraw/zinc/51/92/53/1066519253.db2.gz MXHMDDDSSFMORI-QPPBQGQZSA-N 1 0 459.675 4.727 20 0 JJADRO CC(C)[C@@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001444935319 1066519415 /nfs/dbraw/zinc/51/94/15/1066519415.db2.gz MXHMDDDSSFMORI-ZJSXRUAMSA-N 1 0 459.675 4.727 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[N@H+](C)C2CCCC2)cc1Br ZINC001361194257 1066520727 /nfs/dbraw/zinc/52/07/27/1066520727.db2.gz INDGHBNNBXRRHP-ROUUACIJSA-N 1 0 460.464 4.983 20 0 JJADRO Cc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001361195719 1066522818 /nfs/dbraw/zinc/52/28/18/1066522818.db2.gz FENDEKVFDDJVDP-ZAAXVRCTSA-N 1 0 497.949 4.959 20 0 JJADRO C[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445038743 1066532069 /nfs/dbraw/zinc/53/20/69/1066532069.db2.gz XQKNYOSEGCUDMF-NKKJXINNSA-N 1 0 451.611 4.621 20 0 JJADRO Cc1c(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c2ccccc2n1Cc1ccccc1 ZINC001456184899 1066532429 /nfs/dbraw/zinc/53/24/29/1066532429.db2.gz KYTRGGJUBKMYMD-UHFFFAOYSA-N 1 0 455.602 4.911 20 0 JJADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc4c(Br)cccc4cn3)cc2)C1 ZINC001445047973 1066533235 /nfs/dbraw/zinc/53/32/35/1066533235.db2.gz NFAXYICGMLTEOR-INIZCTEOSA-N 1 0 454.368 4.970 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001361204205 1066534613 /nfs/dbraw/zinc/53/46/13/1066534613.db2.gz POOZUALIGJYSAJ-GEMQDWRSSA-N 1 0 489.730 4.875 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC001361204188 1066534719 /nfs/dbraw/zinc/53/47/19/1066534719.db2.gz PDYSDGUUOAHHTD-QFIPXVFZSA-N 1 0 472.033 4.792 20 0 JJADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001445057598 1066535127 /nfs/dbraw/zinc/53/51/27/1066535127.db2.gz SYKUTUDRXDJEGA-HNAYVOBHSA-N 1 0 458.430 4.844 20 0 JJADRO Cc1ccc(C)n1-c1c(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)cnn1C ZINC001361205033 1066535962 /nfs/dbraw/zinc/53/59/62/1066535962.db2.gz RBJKOKGBYCZTKS-UHFFFAOYSA-N 1 0 455.606 4.650 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001456215331 1066539051 /nfs/dbraw/zinc/53/90/51/1066539051.db2.gz SGNXUEWULXGIDS-RTBURBONSA-N 1 0 457.537 4.556 20 0 JJADRO CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001445093565 1066538976 /nfs/dbraw/zinc/53/89/76/1066538976.db2.gz TXEKWTRKRDEUON-HXUWFJFHSA-N 1 0 453.999 4.866 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CCCCC[NH+]2CCCC2)o1 ZINC001361207081 1066539350 /nfs/dbraw/zinc/53/93/50/1066539350.db2.gz HZXHERFBDPZUDL-NRFANRHFSA-N 1 0 486.661 4.558 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCOC(C)C)cc1Br ZINC001361207156 1066539671 /nfs/dbraw/zinc/53/96/71/1066539671.db2.gz LDKCCCJUGKTABN-UHFFFAOYSA-N 1 0 490.490 4.896 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccc(OC(F)F)c(F)c2)o1 ZINC001361207441 1066540004 /nfs/dbraw/zinc/54/00/04/1066540004.db2.gz SXCJGQFUQZIGAI-UHFFFAOYSA-N 1 0 463.504 4.602 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCc2ccccc2OC(F)F)o1 ZINC001361207577 1066540565 /nfs/dbraw/zinc/54/05/65/1066540565.db2.gz VYQBQPCUWPTJNP-UHFFFAOYSA-N 1 0 459.541 4.657 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC[NH+]2CCCC2)cc1Br ZINC001361208968 1066541743 /nfs/dbraw/zinc/54/17/43/1066541743.db2.gz IMJZIFMRGQTJES-UHFFFAOYSA-N 1 0 476.463 4.506 20 0 JJADRO CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1cc(Br)cs1)[NH+]1CCCC1 ZINC001545972626 1066545699 /nfs/dbraw/zinc/54/56/99/1066545699.db2.gz JITLZJVGDVSFOY-QGZVFWFLSA-N 1 0 477.476 4.618 20 0 JJADRO CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1cc(Br)cs1)[NH+]1CCCC1 ZINC001545972625 1066545866 /nfs/dbraw/zinc/54/58/66/1066545866.db2.gz JITLZJVGDVSFOY-KRWDZBQOSA-N 1 0 477.476 4.618 20 0 JJADRO CC(=O)N(Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1)C(C)C ZINC001456250665 1066546636 /nfs/dbraw/zinc/54/66/36/1066546636.db2.gz MAXDKPQSROBVPU-JWQCQUIFSA-N 1 0 476.646 4.754 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361212594 1066547333 /nfs/dbraw/zinc/54/73/33/1066547333.db2.gz NXPZWGHTLVPJDS-RBBKRZOGSA-N 1 0 498.716 4.736 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361212593 1066547386 /nfs/dbraw/zinc/54/73/86/1066547386.db2.gz NXPZWGHTLVPJDS-IRLDBZIGSA-N 1 0 498.716 4.736 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001361213917 1066549183 /nfs/dbraw/zinc/54/91/83/1066549183.db2.gz DSOINUCLSMLKFQ-GHTZIAJQSA-N 1 0 491.558 4.915 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCC3(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC001361214057 1066549552 /nfs/dbraw/zinc/54/95/52/1066549552.db2.gz HRZVGBVYXCKLDL-FQEVSTJZSA-N 1 0 490.490 4.752 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361214243 1066550268 /nfs/dbraw/zinc/55/02/68/1066550268.db2.gz LEUBHQGLBFIXBM-FYYLOGMGSA-N 1 0 498.716 4.737 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCC3(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1Br ZINC001361214247 1066550341 /nfs/dbraw/zinc/55/03/41/1066550341.db2.gz LIIAJOROBOXNPS-FQEVSTJZSA-N 1 0 490.490 4.632 20 0 JJADRO CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)CC1=O ZINC001445270213 1066550569 /nfs/dbraw/zinc/55/05/69/1066550569.db2.gz JUAFYIVTDRENQW-RVGROTJQSA-N 1 0 453.671 4.912 20 0 JJADRO CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001445270215 1066550811 /nfs/dbraw/zinc/55/08/11/1066550811.db2.gz JURJSHKCMIACDX-AJEPASEPSA-N 1 0 451.696 4.923 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)o1 ZINC001361214662 1066551320 /nfs/dbraw/zinc/55/13/20/1066551320.db2.gz UQHWARAETBAMAN-PMACEKPBSA-N 1 0 483.579 4.905 20 0 JJADRO CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)CC2)CC1 ZINC001445273402 1066551291 /nfs/dbraw/zinc/55/12/91/1066551291.db2.gz RCBRLCFKZIXLIF-UHFFFAOYSA-N 1 0 455.643 4.910 20 0 JJADRO CCCc1c(C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)nnn1-c1cccc(Cl)c1 ZINC001445276889 1066551827 /nfs/dbraw/zinc/55/18/27/1066551827.db2.gz VHAFDHIYIVOTDH-UHFFFAOYSA-N 1 0 458.050 4.846 20 0 JJADRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)CC2)CC1 ZINC001445277339 1066551967 /nfs/dbraw/zinc/55/19/67/1066551967.db2.gz YSBNDIALFXEYQR-UHFFFAOYSA-N 1 0 459.432 4.607 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCOCC3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1Br ZINC001361218170 1066553769 /nfs/dbraw/zinc/55/37/69/1066553769.db2.gz OINLXBIPMNWUII-JOCHJYFZSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001361217929 1066553986 /nfs/dbraw/zinc/55/39/86/1066553986.db2.gz NQLFUCQDYAHWOG-UHFFFAOYSA-N 1 0 499.059 4.583 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC001361218248 1066554480 /nfs/dbraw/zinc/55/44/80/1066554480.db2.gz QWESARCPPYVDOT-KNQAVFIVSA-N 1 0 490.490 4.752 20 0 JJADRO Cc1ccc(-c2nnc(N3CCCCCC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC001361218635 1066554941 /nfs/dbraw/zinc/55/49/41/1066554941.db2.gz PMKRHORRNQIQMF-OAQYLSRUSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2cccc(NC(=O)CC(C)C)c2)o1 ZINC001361219032 1066555735 /nfs/dbraw/zinc/55/57/35/1066555735.db2.gz ZIMUGNVYUYBOJT-UHFFFAOYSA-N 1 0 478.641 4.800 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC001456294505 1066556818 /nfs/dbraw/zinc/55/68/18/1066556818.db2.gz RBMLEMXGRMIBMY-ILBGXUMGSA-N 1 0 456.652 4.743 20 0 JJADRO COc1cc(C)c(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1OC ZINC001361220453 1066557334 /nfs/dbraw/zinc/55/73/34/1066557334.db2.gz QSACNWHPXATHQY-LJQANCHMSA-N 1 0 450.501 4.539 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccsc2)cc1Br ZINC001361220979 1066558842 /nfs/dbraw/zinc/55/88/42/1066558842.db2.gz KOBRQJWNWXHVKQ-UHFFFAOYSA-N 1 0 460.445 4.656 20 0 JJADRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CC1 ZINC001445338710 1066559327 /nfs/dbraw/zinc/55/93/27/1066559327.db2.gz NYNFUGHLPIBWID-UHFFFAOYSA-N 1 0 456.530 4.887 20 0 JJADRO Cc1ccoc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001361221387 1066560186 /nfs/dbraw/zinc/56/01/86/1066560186.db2.gz XXANHVIRWWUELO-UHFFFAOYSA-N 1 0 472.431 4.886 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCCCOC(C)C)cc1Br ZINC001361223916 1066561882 /nfs/dbraw/zinc/56/18/82/1066561882.db2.gz CNYVHCGYSFORPG-UHFFFAOYSA-N 1 0 490.490 4.753 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H](C)N(C)c2ccccc2)o1 ZINC001361225669 1066563857 /nfs/dbraw/zinc/56/38/57/1066563857.db2.gz JGOAONRCHGFEEK-NRFANRHFSA-N 1 0 464.658 4.930 20 0 JJADRO CSc1cccc(N(C(=O)CCSc2ccc3c(c2)OCCO3)C2CC[NH+](C)CC2)c1 ZINC001456336614 1066564965 /nfs/dbraw/zinc/56/49/65/1066564965.db2.gz IUQVFRJQZHIPHY-UHFFFAOYSA-N 1 0 458.649 4.789 20 0 JJADRO CSCc1c2ccccc2oc1C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC001456352184 1066567707 /nfs/dbraw/zinc/56/77/07/1066567707.db2.gz BTQTXEXJSATDSM-UHFFFAOYSA-N 1 0 452.580 4.764 20 0 JJADRO Cc1cc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)ccc1C(C)C ZINC001456352352 1066567732 /nfs/dbraw/zinc/56/77/32/1066567732.db2.gz CVELZVVZFRFBCI-IBGZPJMESA-N 1 0 452.599 4.740 20 0 JJADRO Cc1ccc(-c2nnc(Nc3ccn(C)n3)n2CC[N@H+](C)C2CCCCC2)cc1Br ZINC001361233866 1066574397 /nfs/dbraw/zinc/57/43/97/1066574397.db2.gz JMCQGAREUVRWHD-UHFFFAOYSA-N 1 0 472.435 4.758 20 0 JJADRO Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001361235283 1066575313 /nfs/dbraw/zinc/57/53/13/1066575313.db2.gz UDHKWONCEBDVMK-MRCUYLHHSA-N 1 0 466.674 4.577 20 0 JJADRO C[C@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC001445508705 1066578618 /nfs/dbraw/zinc/57/86/18/1066578618.db2.gz AYNFBNDKWMARTA-IBGZPJMESA-N 1 0 459.428 4.740 20 0 JJADRO CCOc1cc2c(cc1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)O[C@H](C)C2 ZINC001361238499 1066579122 /nfs/dbraw/zinc/57/91/22/1066579122.db2.gz OXOYUINPUFQZDM-VQTJNVASSA-N 1 0 452.595 4.592 20 0 JJADRO C[C@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)[N@H+](C)Cc1ccccc1 ZINC001456402130 1066579269 /nfs/dbraw/zinc/57/92/69/1066579269.db2.gz QHOIROYVSLNBJP-QGZVFWFLSA-N 1 0 454.368 4.887 20 0 JJADRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001445522329 1066580747 /nfs/dbraw/zinc/58/07/47/1066580747.db2.gz GEEMAFBCPQQRQA-JLLPCOHGSA-N 1 0 455.643 4.583 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445529648 1066583017 /nfs/dbraw/zinc/58/30/17/1066583017.db2.gz WNOOCEWUHVALCQ-KAMZKSLDSA-N 1 0 455.643 4.535 20 0 JJADRO O=C(CCOc1cccc(Br)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001445528629 1066583209 /nfs/dbraw/zinc/58/32/09/1066583209.db2.gz WMHQNSIBHOIEDQ-OFNKIYASSA-N 1 0 457.412 4.731 20 0 JJADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001445531673 1066583657 /nfs/dbraw/zinc/58/36/57/1066583657.db2.gz YLZRJYYFLKLQJH-NOXFTYBFSA-N 1 0 457.412 4.730 20 0 JJADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2c3ccc(Br)cc3nn2C)c1 ZINC001445533759 1066584129 /nfs/dbraw/zinc/58/41/29/1066584129.db2.gz AAPLZFNMCBXGAU-UHFFFAOYSA-N 1 0 457.416 4.888 20 0 JJADRO COc1cc(Cl)c(Br)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001361243121 1066584789 /nfs/dbraw/zinc/58/47/89/1066584789.db2.gz VIRQIFSGVAKDGU-GDBMZVCRSA-N 1 0 451.792 4.894 20 0 JJADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(F)c2I)CC1 ZINC001445564645 1066588492 /nfs/dbraw/zinc/58/84/92/1066588492.db2.gz CXRNEYYUAJJMOM-HNNXBMFYSA-N 1 0 458.359 4.547 20 0 JJADRO CC(C)C[C@@H](CC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001456471156 1066593739 /nfs/dbraw/zinc/59/37/39/1066593739.db2.gz AOARGTKOBJTNQA-QHCPKHFHSA-N 1 0 457.659 4.930 20 0 JJADRO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC001361249790 1066594027 /nfs/dbraw/zinc/59/40/27/1066594027.db2.gz FWHGOUARHHVFEX-YPCDYVTLSA-N 1 0 489.730 4.693 20 0 JJADRO Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361257671 1066606355 /nfs/dbraw/zinc/60/63/55/1066606355.db2.gz GDYBDFRUVBWALQ-SZPZYZBQSA-N 1 0 465.642 4.603 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361260959 1066610900 /nfs/dbraw/zinc/61/09/00/1066610900.db2.gz BWSZVOAUXXQDOU-RBUKOAKNSA-N 1 0 455.578 4.654 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC001361260986 1066611006 /nfs/dbraw/zinc/61/10/06/1066611006.db2.gz CPYBNAHENJUGRI-HXUWFJFHSA-N 1 0 455.578 4.654 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361260958 1066611032 /nfs/dbraw/zinc/61/10/32/1066611032.db2.gz BWSZVOAUXXQDOU-OALUTQOASA-N 1 0 455.578 4.654 20 0 JJADRO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001361261291 1066612808 /nfs/dbraw/zinc/61/28/08/1066612808.db2.gz OEIZMMNYNUHFGE-JOCHJYFZSA-N 1 0 455.578 4.654 20 0 JJADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778297 1066615931 /nfs/dbraw/zinc/61/59/31/1066615931.db2.gz CLBRMPQIIOBSJH-YVEFUNNKSA-N 1 0 450.764 4.502 20 0 JJADRO C[C@H]1C[C@H](NC(=O)CCc2nc3cc(Br)ccc3s2)C[N@@H+]1Cc1ccccc1 ZINC001445789403 1066617398 /nfs/dbraw/zinc/61/73/98/1066617398.db2.gz JSADIXUMCZJYIN-YJBOKZPZSA-N 1 0 458.425 4.771 20 0 JJADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001445790312 1066618058 /nfs/dbraw/zinc/61/80/58/1066618058.db2.gz RWMMBGFNZFLDIQ-XVSDVWIESA-N 1 0 456.414 4.500 20 0 JJADRO C[C@@]1(NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456543574 1066620811 /nfs/dbraw/zinc/62/08/11/1066620811.db2.gz YSBMRBNTWBURFB-KYPHJKQUSA-N 1 0 468.519 4.913 20 0 JJADRO C[N@H+](CCN(Cc1ccccc1)C(=O)Cc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC001361278786 1066636581 /nfs/dbraw/zinc/63/65/81/1066636581.db2.gz HFKXVEAYIOPNGW-UHFFFAOYSA-N 1 0 455.602 4.517 20 0 JJADRO C=C1c2ccccc2C(=O)N1CCC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001361278923 1066636673 /nfs/dbraw/zinc/63/66/73/1066636673.db2.gz KRQMXJNHVWSLFC-UHFFFAOYSA-N 1 0 453.586 4.664 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC001456596475 1066637382 /nfs/dbraw/zinc/63/73/82/1066637382.db2.gz PAPORWIUSIPLOV-XNMGPUDCSA-N 1 0 470.617 4.523 20 0 JJADRO Cc1ccccc1OCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCC[C@H]1C ZINC001492598673 1066648479 /nfs/dbraw/zinc/64/84/79/1066648479.db2.gz ORSWPOUNXIUIIX-HXUWFJFHSA-N 1 0 469.033 4.692 20 0 JJADRO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)CCc1ccc(Br)cc1)[NH+]1CCCC1 ZINC001545980506 1066649335 /nfs/dbraw/zinc/64/93/35/1066649335.db2.gz VQBZEKKJTOHNGA-QFIPXVFZSA-N 1 0 497.485 4.964 20 0 JJADRO Cc1ccccc1O[C@H](C)Cn1c(N2CC[NH+](CCc3cccs3)CC2)nnc1C(C)(C)C ZINC001492598978 1066649910 /nfs/dbraw/zinc/64/99/10/1066649910.db2.gz SBXNYFBYIVOPAK-OAQYLSRUSA-N 1 0 467.683 4.778 20 0 JJADRO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001446085172 1066657444 /nfs/dbraw/zinc/65/74/44/1066657444.db2.gz GQMSFOFZFNZLPK-RCZVLFRGSA-N 1 0 452.595 4.862 20 0 JJADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001446094343 1066658856 /nfs/dbraw/zinc/65/88/56/1066658856.db2.gz DRXUOPVUMRMJAW-IAGOWNOFSA-N 1 0 454.423 4.615 20 0 JJADRO Cc1ccnc(OC2CCN(c3nnc(-c4cccc(C)n4)n3CCC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001492607743 1066667241 /nfs/dbraw/zinc/66/72/41/1066667241.db2.gz XNWUNYWCNXTRNE-UHFFFAOYSA-N 1 0 491.684 4.909 20 0 JJADRO C[C@H]1CN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001446164515 1066668140 /nfs/dbraw/zinc/66/81/40/1066668140.db2.gz RVNVYBNIKVNVDC-CYFREDJKSA-N 1 0 458.071 4.730 20 0 JJADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC001446181259 1066669540 /nfs/dbraw/zinc/66/95/40/1066669540.db2.gz GRBLPJIKCGWIMX-UHFFFAOYSA-N 1 0 451.592 4.727 20 0 JJADRO CC1=CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001492609141 1066670484 /nfs/dbraw/zinc/67/04/84/1066670484.db2.gz NAVYEGZWANDLDB-CUNXSJBXSA-N 1 0 467.658 4.605 20 0 JJADRO CC1=CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+]2CC=CCC2)C1 ZINC001492609655 1066671112 /nfs/dbraw/zinc/67/11/12/1066671112.db2.gz YTBFICCCZSVAMN-UHFFFAOYSA-N 1 0 462.823 4.779 20 0 JJADRO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001456708650 1066671513 /nfs/dbraw/zinc/67/15/13/1066671513.db2.gz CMMJDBABNMDPKG-RDJZCZTQSA-N 1 0 456.578 4.888 20 0 JJADRO CC1=CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001492609868 1066671766 /nfs/dbraw/zinc/67/17/66/1066671766.db2.gz ZBNMBQBUIWQSQC-HXUWFJFHSA-N 1 0 458.448 4.984 20 0 JJADRO C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001446193862 1066673221 /nfs/dbraw/zinc/67/32/21/1066673221.db2.gz IUXMFSNIOPPFHT-WMTXJRDZSA-N 1 0 453.558 4.569 20 0 JJADRO C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193771 1066673313 /nfs/dbraw/zinc/67/33/13/1066673313.db2.gz NKGVDDDKHQJFOV-XCYUPCBOSA-N 1 0 455.574 4.589 20 0 JJADRO C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001446193866 1066674149 /nfs/dbraw/zinc/67/41/49/1066674149.db2.gz IUXMFSNIOPPFHT-ZDXQCDESSA-N 1 0 453.558 4.569 20 0 JJADRO CC1=CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492614045 1066677526 /nfs/dbraw/zinc/67/75/26/1066677526.db2.gz RDSIFMJFIQFZPS-ZRBLBEILSA-N 1 0 486.705 4.875 20 0 JJADRO Cc1ccc(NC(=O)c2nnc(N3CC=C(C)CC3)n2CCCCC[NH+]2CCCC2)cc1C ZINC001492614108 1066677747 /nfs/dbraw/zinc/67/77/47/1066677747.db2.gz USUJYDFSVVKJSQ-UHFFFAOYSA-N 1 0 450.631 4.570 20 0 JJADRO CC1=CCCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001492614239 1066678476 /nfs/dbraw/zinc/67/84/76/1066678476.db2.gz ZSVGZAGXHDFLMV-NHCUHLMSSA-N 1 0 455.622 4.909 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)C[N@@H+]1Cc1ccccc1 ZINC001446263639 1066681323 /nfs/dbraw/zinc/68/13/23/1066681323.db2.gz UVBHLQBEJSZHSR-MJGOQNOKSA-N 1 0 454.412 4.890 20 0 JJADRO CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001492617805 1066685094 /nfs/dbraw/zinc/68/50/94/1066685094.db2.gz PGXOARKUIVQSKC-QFIPXVFZSA-N 1 0 486.705 4.669 20 0 JJADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)[C@@H]1c1cccs1 ZINC001456775045 1066687727 /nfs/dbraw/zinc/68/77/27/1066687727.db2.gz YJVLFRTWHYVGQB-IFXJQAMLSA-N 1 0 451.405 4.881 20 0 JJADRO Cc1cnn([C@H]2CCCN(c3nnc(-c4ccccc4F)n3CCC[NH+](C(C)C)C(C)C)C2)c1 ZINC001492621234 1066692081 /nfs/dbraw/zinc/69/20/81/1066692081.db2.gz VOFBRNFKHGLOLS-QFIPXVFZSA-N 1 0 467.637 4.940 20 0 JJADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CSCc2coc(-c3ccccc3)n2)cc1 ZINC001446358361 1066696327 /nfs/dbraw/zinc/69/63/27/1066696327.db2.gz ZHEWVLLHCTVEDH-HSZRJFAPSA-N 1 0 451.592 4.537 20 0 JJADRO O=C(NCC1(c2cccc(Br)c2)CCCC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001446364047 1066697009 /nfs/dbraw/zinc/69/70/09/1066697009.db2.gz GUPGYNRXAZNWOB-FQEVSTJZSA-N 1 0 456.428 4.684 20 0 JJADRO CC[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1)[NH+]1CCCC1 ZINC001545985167 1066699071 /nfs/dbraw/zinc/69/90/71/1066699071.db2.gz WHUQJOGBDVOTHU-TZIWHRDSSA-N 1 0 470.628 4.521 20 0 JJADRO O=C([C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446390207 1066701079 /nfs/dbraw/zinc/70/10/79/1066701079.db2.gz HCSJWMHWKNFKNN-RTBURBONSA-N 1 0 451.558 4.823 20 0 JJADRO Cc1cnc([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC001492630161 1066705044 /nfs/dbraw/zinc/70/50/44/1066705044.db2.gz OWHBCCPFKCPRHP-INIZCTEOSA-N 1 0 474.078 4.873 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC001456865377 1066708998 /nfs/dbraw/zinc/70/89/98/1066708998.db2.gz ILNLXJOPMILUCK-UGQKFETKSA-N 1 0 474.567 4.676 20 0 JJADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001456866005 1066709617 /nfs/dbraw/zinc/70/96/17/1066709617.db2.gz OASRBUMDOLXZKR-UHFFFAOYSA-N 1 0 459.516 4.613 20 0 JJADRO CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCCC1 ZINC001545987046 1066712333 /nfs/dbraw/zinc/71/23/33/1066712333.db2.gz OBDFBTKNZHTDCW-LEWJYISDSA-N 1 0 476.463 4.793 20 0 JJADRO Cc1coc(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC001492634277 1066716664 /nfs/dbraw/zinc/71/66/64/1066716664.db2.gz IVLPRZLZYBVPLZ-UHFFFAOYSA-N 1 0 476.394 4.635 20 0 JJADRO Cc1ccc([C@@H](Cn2ccnc2)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585729 1066724041 /nfs/dbraw/zinc/72/40/41/1066724041.db2.gz RABJHFIPOAHHLX-BJKOFHAPSA-N 1 0 452.549 4.515 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001546085655 1066724446 /nfs/dbraw/zinc/72/44/46/1066724446.db2.gz PJJZIHKXBLEXRS-SBUREZEXSA-N 1 0 494.453 4.584 20 0 JJADRO C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cs1 ZINC001446615840 1066726112 /nfs/dbraw/zinc/72/61/12/1066726112.db2.gz NXRCMUGEKKHPJV-AOCRQIFASA-N 1 0 450.649 4.502 20 0 JJADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001456936462 1066726062 /nfs/dbraw/zinc/72/60/62/1066726062.db2.gz JGMXOWWLMUDZJF-BJKOFHAPSA-N 1 0 457.659 4.831 20 0 JJADRO Cc1c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)nnn1-c1cccc(Br)c1 ZINC001446641767 1066727725 /nfs/dbraw/zinc/72/77/25/1066727725.db2.gz WGOKHJCBCZICOW-UHFFFAOYSA-N 1 0 454.372 4.562 20 0 JJADRO CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(C)(C)C ZINC001446716685 1066734033 /nfs/dbraw/zinc/73/40/33/1066734033.db2.gz RUXZKSNPIIGFBM-WBADGQHESA-N 1 0 457.659 4.733 20 0 JJADRO Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@@H+](CC(C)C)C3)CCO2)n1 ZINC001492641901 1066734427 /nfs/dbraw/zinc/73/44/27/1066734427.db2.gz PIFNMAQRLMLWAD-NHCUHLMSSA-N 1 0 474.719 4.578 20 0 JJADRO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981182 1066734956 /nfs/dbraw/zinc/73/49/56/1066734956.db2.gz DNGYSRKTCMUXSO-CEXWTWQISA-N 1 0 452.467 4.981 20 0 JJADRO Cc1noc(-c2ccc(C(=O)N(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC(F)(F)F)cc2)n1 ZINC001456980206 1066735016 /nfs/dbraw/zinc/73/50/16/1066735016.db2.gz BKXLXPHLXZBGNG-IBGZPJMESA-N 1 0 458.484 4.572 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001546085932 1066735479 /nfs/dbraw/zinc/73/54/79/1066735479.db2.gz VLIGMGFWXPOJKS-RLWLMLJZSA-N 1 0 455.647 4.614 20 0 JJADRO Cc1cc(-c2nc(C(=O)N(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC(F)(F)F)co2)ccn1 ZINC001456982868 1066735499 /nfs/dbraw/zinc/73/54/99/1066735499.db2.gz JYIBPCHFWSIOAC-LJQANCHMSA-N 1 0 458.484 4.572 20 0 JJADRO COc1ccc2c(ccn2CC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC001456989629 1066736969 /nfs/dbraw/zinc/73/69/69/1066736969.db2.gz ZCEVWYSMERGPPU-HXUWFJFHSA-N 1 0 459.512 4.563 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2ccccc2CCNC(=O)OC(C)(C)C)CC1)CC(C)C ZINC001446773757 1066737535 /nfs/dbraw/zinc/73/75/35/1066737535.db2.gz ZOZBPYJUMCOPJL-UHFFFAOYSA-N 1 0 459.675 4.974 20 0 JJADRO CC[N@H+](CCC1CCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1)CC1CC1 ZINC001446782151 1066738670 /nfs/dbraw/zinc/73/86/70/1066738670.db2.gz QFVWMJALYGJQJS-UHFFFAOYSA-N 1 0 455.521 4.772 20 0 JJADRO Cc1csc(CCCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001492644702 1066743191 /nfs/dbraw/zinc/74/31/91/1066743191.db2.gz XBLHWTWTOVLDNC-HXUWFJFHSA-N 1 0 486.661 4.875 20 0 JJADRO CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@H](C)C1)[NH+]1CCCC1 ZINC001545989836 1066744583 /nfs/dbraw/zinc/74/45/83/1066744583.db2.gz LELDPSQOPUCAQR-GMAHTHKFSA-N 1 0 488.721 4.893 20 0 JJADRO O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)c1cccc(C(F)(F)F)n1 ZINC001446824345 1066744886 /nfs/dbraw/zinc/74/48/86/1066744886.db2.gz MMFPIFUCQUPNDY-UHFFFAOYSA-N 1 0 454.496 4.717 20 0 JJADRO Cc1csc(CN(C)c2nnc(C(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001492645015 1066745032 /nfs/dbraw/zinc/74/50/32/1066745032.db2.gz IBSUXQREEHEMBJ-OAQYLSRUSA-N 1 0 452.672 4.619 20 0 JJADRO Cc1csc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001492645278 1066745407 /nfs/dbraw/zinc/74/54/07/1066745407.db2.gz QKXPTVLJHMLTDT-QHCPKHFHSA-N 1 0 494.709 4.725 20 0 JJADRO Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCC2)c1 ZINC001492645483 1066745942 /nfs/dbraw/zinc/74/59/42/1066745942.db2.gz XBGSKVIMRDDSGT-UHFFFAOYSA-N 1 0 466.655 4.638 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001492645773 1066747043 /nfs/dbraw/zinc/74/70/43/1066747043.db2.gz IRQAYSJMVMOBKM-GOSISDBHSA-N 1 0 460.047 4.573 20 0 JJADRO Cc1csc(CN(C)c2nnc(-c3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001492645701 1066747131 /nfs/dbraw/zinc/74/71/31/1066747131.db2.gz FYCQBIPPAWBQQD-UHFFFAOYSA-N 1 0 460.047 4.716 20 0 JJADRO Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC001492647164 1066750866 /nfs/dbraw/zinc/75/08/66/1066750866.db2.gz YPKGARDSWHIBQZ-KNQAVFIVSA-N 1 0 457.619 4.620 20 0 JJADRO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)nn1-c1ccc(Cl)cc1Cl ZINC001446877910 1066751818 /nfs/dbraw/zinc/75/18/18/1066751818.db2.gz HXFKEYGOYLDSTK-UHFFFAOYSA-N 1 0 458.393 4.638 20 0 JJADRO Cc1csc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC001492647634 1066751956 /nfs/dbraw/zinc/75/19/56/1066751956.db2.gz RPKUDORCDWOTSJ-UHFFFAOYSA-N 1 0 481.710 4.878 20 0 JJADRO Cc1csc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001492648400 1066754025 /nfs/dbraw/zinc/75/40/25/1066754025.db2.gz UTSHVGDAKWKHJJ-LJQANCHMSA-N 1 0 457.619 4.734 20 0 JJADRO Cc1csc(N2CCN(c3nnc(-c4ccccc4Cl)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001492652631 1066760370 /nfs/dbraw/zinc/76/03/70/1066760370.db2.gz XKZSHJQVDFCZJN-LJQANCHMSA-N 1 0 488.105 4.666 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cc(Cl)cc(Cl)c3N)cc2)C[C@H]1C ZINC001446987566 1066762567 /nfs/dbraw/zinc/76/25/67/1066762567.db2.gz YGJSCONIAREVKD-HZPDHXFCSA-N 1 0 450.410 4.515 20 0 JJADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001457117834 1066766415 /nfs/dbraw/zinc/76/64/15/1066766415.db2.gz CRIDQAQGJKQIAJ-HNNXBMFYSA-N 1 0 454.459 4.557 20 0 JJADRO COc1ccc([C@H](C)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(Br)c1 ZINC001447018937 1066766665 /nfs/dbraw/zinc/76/66/65/1066766665.db2.gz XZDJLEZJKDUPOV-LAUBAEHRSA-N 1 0 457.412 4.937 20 0 JJADRO Cc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107093 1066774105 /nfs/dbraw/zinc/77/41/05/1066774105.db2.gz SAUVCBJFHGNTGU-MBSDFSHPSA-N 1 0 453.945 4.978 20 0 JJADRO C[N@H+](CCCOc1ccccc1CNC(=O)Cc1ccccc1Br)C1CCCC1 ZINC001457161818 1066776937 /nfs/dbraw/zinc/77/69/37/1066776937.db2.gz ICEWBVHKHVGGTP-UHFFFAOYSA-N 1 0 459.428 4.951 20 0 JJADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c1 ZINC001447137862 1066777596 /nfs/dbraw/zinc/77/75/96/1066777596.db2.gz VPINWKORAMUPBL-NXCFDTQHSA-N 1 0 477.649 4.630 20 0 JJADRO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC001457179481 1066781426 /nfs/dbraw/zinc/78/14/26/1066781426.db2.gz UOPKMFPLPGOIKO-HSZRJFAPSA-N 1 0 459.432 4.529 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001492662047 1066781780 /nfs/dbraw/zinc/78/17/80/1066781780.db2.gz PJRPBFNJITWBKO-VGOFRKELSA-N 1 0 458.651 4.947 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CCC[NH+]2CCCC2)cs1 ZINC001492662168 1066781815 /nfs/dbraw/zinc/78/18/15/1066781815.db2.gz PPQIWZBGKVMEKX-MRXNPFEDSA-N 1 0 460.598 4.595 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2C[C@@H](C)C[NH+]2CCCC2)cs1 ZINC001492662459 1066782261 /nfs/dbraw/zinc/78/22/61/1066782261.db2.gz UBYHGNJWXITKLI-IRXDYDNUSA-N 1 0 474.625 4.841 20 0 JJADRO CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457187038 1066782312 /nfs/dbraw/zinc/78/23/12/1066782312.db2.gz MSAWQJCTFXXAMS-HSZRJFAPSA-N 1 0 455.643 4.537 20 0 JJADRO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@H](c2ccco2)[NH+](C)C)cs1 ZINC001492662877 1066782881 /nfs/dbraw/zinc/78/28/81/1066782881.db2.gz ZDLWSPXOYJJWGP-MAUKXSAKSA-N 1 0 456.641 4.789 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C3CCC(C)CC3)n2C[C@H](c2ccccc2)[NH+](C)C)cs1 ZINC001492663723 1066783912 /nfs/dbraw/zinc/78/39/12/1066783912.db2.gz HQJJMUIIDDEBLN-UWFXLKAESA-N 1 0 452.672 4.952 20 0 JJADRO Cc1nc(Cc2nnc(N(C)C3CCC(C)CC3)n2CC[N@H+](C)Cc2ccccc2)cs1 ZINC001492664756 1066785087 /nfs/dbraw/zinc/78/50/87/1066785087.db2.gz WOGBOAIUXPYKOI-UHFFFAOYSA-N 1 0 452.672 4.781 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccccc3C)n2C[C@@H](c2ccsc2)[NH+](C)C)cs1 ZINC001492665450 1066786734 /nfs/dbraw/zinc/78/67/34/1066786734.db2.gz IYBSXPPDWNZFDU-QFIPXVFZSA-N 1 0 466.680 4.943 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001492665837 1066788259 /nfs/dbraw/zinc/78/82/59/1066788259.db2.gz BGIXBSKOSIRGAZ-KRWDZBQOSA-N 1 0 456.660 4.682 20 0 JJADRO CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001447300259 1066788597 /nfs/dbraw/zinc/78/85/97/1066788597.db2.gz BRPXYZDXPMJELO-LEWJYISDSA-N 1 0 451.442 4.884 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001492665989 1066788880 /nfs/dbraw/zinc/78/88/80/1066788880.db2.gz DJMZAQWNEXHOOT-DLBZAZTESA-N 1 0 474.625 4.669 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cs1 ZINC001492665933 1066789013 /nfs/dbraw/zinc/78/90/13/1066789013.db2.gz CQSZYDOXOGLEMX-MZNJEOGPSA-N 1 0 456.660 4.682 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cs1 ZINC001492666410 1066791548 /nfs/dbraw/zinc/79/15/48/1066791548.db2.gz SGUWMOGJZIYISU-IBGZPJMESA-N 1 0 488.652 4.916 20 0 JJADRO Cc1nc(Cc2nnc(N(C)Cc3ccsc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001492666815 1066792468 /nfs/dbraw/zinc/79/24/68/1066792468.db2.gz IYLJQCYPJXXTEU-ROUUACIJSA-N 1 0 458.701 4.700 20 0 JJADRO C[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC001457227662 1066794354 /nfs/dbraw/zinc/79/43/54/1066794354.db2.gz KJDYXRNGLIDKAY-WMLDXEAASA-N 1 0 453.327 4.833 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CC3CC(F)C3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)cs1 ZINC001492667817 1066794969 /nfs/dbraw/zinc/79/49/69/1066794969.db2.gz PWEZKFDVADWJBC-FQVISZRSSA-N 1 0 470.662 4.948 20 0 JJADRO C[C@H]1C[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001457239317 1066796452 /nfs/dbraw/zinc/79/64/52/1066796452.db2.gz LRFWMDXNJREIHO-JXFKEZNVSA-N 1 0 454.368 4.887 20 0 JJADRO C[C@@H]1C[C@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001457239319 1066797089 /nfs/dbraw/zinc/79/70/89/1066797089.db2.gz LRFWMDXNJREIHO-OXQOHEQNSA-N 1 0 454.368 4.887 20 0 JJADRO Cc1nc(Cc2nnc(N(C)CCOc3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)cs1 ZINC001492669138 1066797816 /nfs/dbraw/zinc/79/78/16/1066797816.db2.gz KHEVBEXXKIDOPI-UHFFFAOYSA-N 1 0 486.661 4.553 20 0 JJADRO CS[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC001447359365 1066798091 /nfs/dbraw/zinc/79/80/91/1066798091.db2.gz FGXSLKIHEGSCCJ-IEBWSBKVSA-N 1 0 452.407 4.833 20 0 JJADRO CCN(C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001447361482 1066798655 /nfs/dbraw/zinc/79/86/55/1066798655.db2.gz RWGIWICHTRAQCZ-IAPPQJPRSA-N 1 0 458.602 4.812 20 0 JJADRO CS[C@@H]1CN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)C[C@H]1[NH+]1CCCC1 ZINC001447366505 1066799584 /nfs/dbraw/zinc/79/95/84/1066799584.db2.gz XMKCKKYCWJHTPD-IAGOWNOFSA-N 1 0 456.464 4.698 20 0 JJADRO Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001492670548 1066800651 /nfs/dbraw/zinc/80/06/51/1066800651.db2.gz WQGKFBRYWVDNLU-SFHVURJKSA-N 1 0 456.635 4.672 20 0 JJADRO Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001492670495 1066800695 /nfs/dbraw/zinc/80/06/95/1066800695.db2.gz VVBIGANZKZUQGF-OALUTQOASA-N 1 0 460.692 4.702 20 0 JJADRO Cc1nc(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCC[N@@H+](C)Cc2ccccc2)cs1 ZINC001492671216 1066801381 /nfs/dbraw/zinc/80/13/81/1066801381.db2.gz SPVDSZGPZMZCAD-UHFFFAOYSA-N 1 0 482.698 4.550 20 0 JJADRO Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H](C2CCCCC2)[NH+](C)C)cs1 ZINC001492671920 1066803944 /nfs/dbraw/zinc/80/39/44/1066803944.db2.gz IYORACKSFSQKIA-HXUWFJFHSA-N 1 0 482.620 4.843 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C(C)C)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cs1 ZINC001492673426 1066806641 /nfs/dbraw/zinc/80/66/41/1066806641.db2.gz SWSYKWDEOVMAAY-OAQYLSRUSA-N 1 0 458.720 4.874 20 0 JJADRO CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC001546089724 1066807685 /nfs/dbraw/zinc/80/76/85/1066807685.db2.gz VDPCXEROVALTFG-XMMPIXPASA-N 1 0 490.490 4.835 20 0 JJADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001447428476 1066808075 /nfs/dbraw/zinc/80/80/75/1066808075.db2.gz BGECJYPWOSINSZ-IBGZPJMESA-N 1 0 457.500 4.556 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001447428482 1066808108 /nfs/dbraw/zinc/80/81/08/1066808108.db2.gz BGECJYPWOSINSZ-LJQANCHMSA-N 1 0 457.500 4.556 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCO[C@H]2CCCC[C@H]2C)cs1 ZINC001492674661 1066809630 /nfs/dbraw/zinc/80/96/30/1066809630.db2.gz FRNKFPHPPYELGM-YKSBVNFPSA-N 1 0 488.746 4.786 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cs1 ZINC001492676303 1066812648 /nfs/dbraw/zinc/81/26/48/1066812648.db2.gz BHYLKBXUURWSEF-QSAZIKIQSA-N 1 0 466.646 4.626 20 0 JJADRO C[C@@H]1CCCN(C(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 ZINC001447469681 1066812639 /nfs/dbraw/zinc/81/26/39/1066812639.db2.gz APSPBCFTANJEGW-NFBKMPQASA-N 1 0 451.611 4.942 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCC[NH+](C(C)C)C(C)C)cs1 ZINC001492676491 1066813727 /nfs/dbraw/zinc/81/37/27/1066813727.db2.gz HFQVSQHMQKMYON-GOSISDBHSA-N 1 0 454.635 4.624 20 0 JJADRO CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCCC1 ZINC001545996657 1066814518 /nfs/dbraw/zinc/81/45/18/1066814518.db2.gz AZPXOTKYOOFFML-HNNXBMFYSA-N 1 0 470.395 4.921 20 0 JJADRO CC(C)[NH+]1CCN(CCCC(=O)N[C@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)CC1 ZINC001447490870 1066815221 /nfs/dbraw/zinc/81/52/21/1066815221.db2.gz WKFLQPOUQPMVEY-GOSISDBHSA-N 1 0 453.471 4.621 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001492677046 1066815561 /nfs/dbraw/zinc/81/55/61/1066815561.db2.gz URUSCSXTCACOLS-SJLPKXTDSA-N 1 0 470.609 4.533 20 0 JJADRO CC[C@@H]1CN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001447501682 1066816157 /nfs/dbraw/zinc/81/61/57/1066816157.db2.gz SIVRHMLCMUPOFE-IAPPQJPRSA-N 1 0 458.602 4.812 20 0 JJADRO Cc1nc(Cc2nnc(N3CCCCCCC3)n2CCc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC001492677494 1066816729 /nfs/dbraw/zinc/81/67/29/1066816729.db2.gz HYRHCUOJHORBPQ-UHFFFAOYSA-N 1 0 482.698 4.587 20 0 JJADRO CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545996859 1066816751 /nfs/dbraw/zinc/81/67/51/1066816751.db2.gz FTYAAWRDRFHYQR-BJKOFHAPSA-N 1 0 496.700 4.545 20 0 JJADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457363759 1066817132 /nfs/dbraw/zinc/81/71/32/1066817132.db2.gz NJCQBVLROLQQAW-DWXRJYCRSA-N 1 0 455.599 4.652 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CCC(C)(F)F)cs1 ZINC001492678430 1066818273 /nfs/dbraw/zinc/81/82/73/1066818273.db2.gz JQPSGWZQPOSORE-LJQANCHMSA-N 1 0 466.646 4.627 20 0 JJADRO Cc1nc(Cc2nnc(N3CCC[C@H]3C(C)C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001492678472 1066818752 /nfs/dbraw/zinc/81/87/52/1066818752.db2.gz YDKMZOCVDBWKCG-CVDCTZTESA-N 1 0 452.672 4.779 20 0 JJADRO CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OC ZINC001545997241 1066821379 /nfs/dbraw/zinc/82/13/79/1066821379.db2.gz LSDZOZBUMBVXBV-PXDATVDWSA-N 1 0 471.665 4.914 20 0 JJADRO CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001545997290 1066822124 /nfs/dbraw/zinc/82/21/24/1066822124.db2.gz MPRCRBGFNBMTTR-QGZVFWFLSA-N 1 0 453.528 4.503 20 0 JJADRO Cc1nc(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccc(F)cc2C(F)(F)F)cs1 ZINC001492680172 1066822486 /nfs/dbraw/zinc/82/24/86/1066822486.db2.gz CQBVUWREWABTKM-UHFFFAOYSA-N 1 0 496.578 4.761 20 0 JJADRO Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC001492681865 1066824110 /nfs/dbraw/zinc/82/41/10/1066824110.db2.gz JJPGDVRMHZJUFB-RRWZXMNXSA-N 1 0 488.746 4.786 20 0 JJADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001545997989 1066826051 /nfs/dbraw/zinc/82/60/51/1066826051.db2.gz ZSYFBBNMMRBMNT-UFHPHHKVSA-N 1 0 467.702 4.955 20 0 JJADRO Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001492683720 1066826617 /nfs/dbraw/zinc/82/66/17/1066826617.db2.gz GUECGVLVQLVKHM-WOCWXWTJSA-N 1 0 484.636 4.636 20 0 JJADRO Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cs1 ZINC001492684075 1066827998 /nfs/dbraw/zinc/82/79/98/1066827998.db2.gz QPLRQUGDMGOHRU-UTSGNWPNSA-N 1 0 476.760 4.722 20 0 JJADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)[NH+]1CCCC1 ZINC001545997472 1066829818 /nfs/dbraw/zinc/82/98/18/1066829818.db2.gz PGBJPDUHWSMEHJ-ZWKOTPCHSA-N 1 0 452.068 4.644 20 0 JJADRO COc1cccc(CN(CC[NH+](C)C)C(=O)CCc2nc3ccccc3n2-c2ccccc2)c1 ZINC001447711138 1066845725 /nfs/dbraw/zinc/84/57/25/1066845725.db2.gz NMVCHUUBQZVBOR-UHFFFAOYSA-N 1 0 456.590 4.557 20 0 JJADRO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC001447714960 1066845818 /nfs/dbraw/zinc/84/58/18/1066845818.db2.gz SLGQOZDRMJTIBV-DNVCBOLYSA-N 1 0 458.430 4.844 20 0 JJADRO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCCC2)s1 ZINC001492696592 1066847138 /nfs/dbraw/zinc/84/71/38/1066847138.db2.gz RBCBMTCTYAMGDP-UHFFFAOYSA-N 1 0 495.697 4.813 20 0 JJADRO Cc1ncc(CN(C)c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)C2CCCC2)s1 ZINC001492696621 1066847737 /nfs/dbraw/zinc/84/77/37/1066847737.db2.gz RYLADKFBKOGONN-UHFFFAOYSA-N 1 0 489.487 4.983 20 0 JJADRO Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC001492698558 1066851650 /nfs/dbraw/zinc/85/16/50/1066851650.db2.gz BTSSKIMBUOOBRA-SFHVURJKSA-N 1 0 466.680 4.852 20 0 JJADRO CC[C@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457539263 1066855157 /nfs/dbraw/zinc/85/51/57/1066855157.db2.gz JVQLAUBPMDQEHZ-RJGXRXQPSA-N 1 0 459.428 4.739 20 0 JJADRO CC[C@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457539266 1066855233 /nfs/dbraw/zinc/85/52/33/1066855233.db2.gz JVQLAUBPMDQEHZ-VABKMULXSA-N 1 0 459.428 4.739 20 0 JJADRO CN(C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457540543 1066855894 /nfs/dbraw/zinc/85/58/94/1066855894.db2.gz UYQXYEOTIJVVAD-RBZQAINGSA-N 1 0 457.659 4.973 20 0 JJADRO CN(C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457540577 1066855912 /nfs/dbraw/zinc/85/59/12/1066855912.db2.gz UYQXYEOTIJVVAD-VXNXHJTFSA-N 1 0 457.659 4.973 20 0 JJADRO Cc1ncc(Cn2c(CC(C)(C)C)nnc2N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC001492701318 1066857839 /nfs/dbraw/zinc/85/78/39/1066857839.db2.gz ROBMHHODJLWLKX-NRFANRHFSA-N 1 0 452.672 4.781 20 0 JJADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC001457552239 1066859314 /nfs/dbraw/zinc/85/93/14/1066859314.db2.gz GNNXFZGDZKWXAN-UHFFFAOYSA-N 1 0 454.880 4.821 20 0 JJADRO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC001447805915 1066862862 /nfs/dbraw/zinc/86/28/62/1066862862.db2.gz SNCQXSAJBPGNML-CQSZACIVSA-N 1 0 454.398 4.689 20 0 JJADRO Cc1nccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1F ZINC001492704361 1066863171 /nfs/dbraw/zinc/86/31/71/1066863171.db2.gz ZWMGCBAAPZRMKC-UHFFFAOYSA-N 1 0 467.637 4.640 20 0 JJADRO COc1ccc(CCC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(Br)c1 ZINC001457567705 1066864679 /nfs/dbraw/zinc/86/46/79/1066864679.db2.gz RFSUDFBIMYTYCC-PFWHTEFJSA-N 1 0 459.428 4.663 20 0 JJADRO Cc1nccn1-c1ccc(Cn2c(N3CC[NH+](CCC(C)(C)C)CC3)nnc2C(C)(C)C)cc1F ZINC001492705480 1066865423 /nfs/dbraw/zinc/86/54/23/1066865423.db2.gz HHTJPRHSXLBMPB-UHFFFAOYSA-N 1 0 481.664 4.815 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC001457569238 1066865781 /nfs/dbraw/zinc/86/57/81/1066865781.db2.gz ZRLGPNSTJWUPOL-NEEULUBSSA-N 1 0 455.602 4.850 20 0 JJADRO Cc1nccn1CCCn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C ZINC001492709894 1066874395 /nfs/dbraw/zinc/87/43/95/1066874395.db2.gz XBLWLXBFGARIGJ-ZJSXRUAMSA-N 1 0 463.674 4.660 20 0 JJADRO Cc1nccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001492710835 1066876819 /nfs/dbraw/zinc/87/68/19/1066876819.db2.gz DCQOYJGIEBOYFT-ZJSXRUAMSA-N 1 0 463.674 4.561 20 0 JJADRO Cc1nccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001492710833 1066876928 /nfs/dbraw/zinc/87/69/28/1066876928.db2.gz DCQOYJGIEBOYFT-URXFXBBRSA-N 1 0 463.674 4.561 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC001457608699 1066877275 /nfs/dbraw/zinc/87/72/75/1066877275.db2.gz QDXHXAVKWKUBJY-ILBGXUMGSA-N 1 0 461.581 4.769 20 0 JJADRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cnn1-c1cccc(Br)c1 ZINC001457610104 1066877407 /nfs/dbraw/zinc/87/74/07/1066877407.db2.gz KISBMEQMCDTFKQ-OAQYLSRUSA-N 1 0 459.432 4.718 20 0 JJADRO CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC001546001496 1066880423 /nfs/dbraw/zinc/88/04/23/1066880423.db2.gz ODDTXAYQCLEROF-JOCHJYFZSA-N 1 0 456.635 4.674 20 0 JJADRO Cc1cc(Br)c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1Cl ZINC001457620162 1066881646 /nfs/dbraw/zinc/88/16/46/1066881646.db2.gz CMPZIBPUXMMFOC-UHFFFAOYSA-N 1 0 451.796 4.589 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001492716541 1066881877 /nfs/dbraw/zinc/88/18/77/1066881877.db2.gz OKDBFPQZIWXZOJ-GOSISDBHSA-N 1 0 451.663 4.692 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001492716542 1066882078 /nfs/dbraw/zinc/88/20/78/1066882078.db2.gz OKDBFPQZIWXZOJ-SFHVURJKSA-N 1 0 451.663 4.692 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001492716684 1066882112 /nfs/dbraw/zinc/88/21/12/1066882112.db2.gz TYQWDFKTPIRBFB-GBXCKJPGSA-N 1 0 463.674 4.689 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001492716810 1066882613 /nfs/dbraw/zinc/88/26/13/1066882613.db2.gz YJZSMBVAQQGKMM-XMMPIXPASA-N 1 0 477.701 4.865 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001492716959 1066883140 /nfs/dbraw/zinc/88/31/40/1066883140.db2.gz FGENXLVIELYYHD-UHFFFAOYSA-N 1 0 470.065 4.707 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@@H+](C)C(C)C ZINC001492717105 1066883259 /nfs/dbraw/zinc/88/32/59/1066883259.db2.gz JKFZWOWMRQTZHY-UHFFFAOYSA-N 1 0 478.472 4.969 20 0 JJADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001447960983 1066883248 /nfs/dbraw/zinc/88/32/48/1066883248.db2.gz DCZCBYFEDBDVDR-UHFFFAOYSA-N 1 0 454.924 4.590 20 0 JJADRO Cc1ccc(CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)c(OC[C@H]2CCOC2)c1 ZINC001457623622 1066884355 /nfs/dbraw/zinc/88/43/55/1066884355.db2.gz KTWPMLZZGDOVSO-VWLOTQADSA-N 1 0 458.602 4.972 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001492717795 1066884962 /nfs/dbraw/zinc/88/49/62/1066884962.db2.gz WJDLOMBMWKNNCP-OAQYLSRUSA-N 1 0 497.663 4.808 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001492718121 1066886629 /nfs/dbraw/zinc/88/66/29/1066886629.db2.gz UDMPOQMCEHQXCX-ZWKOTPCHSA-N 1 0 470.065 4.706 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492718247 1066886822 /nfs/dbraw/zinc/88/68/22/1066886822.db2.gz YDOPELCHOGXPLI-QHCPKHFHSA-N 1 0 470.065 4.706 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492718665 1066887231 /nfs/dbraw/zinc/88/72/31/1066887231.db2.gz NXRGDXMOERWNES-WINIVTDRSA-N 1 0 481.664 4.505 20 0 JJADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001492718989 1066888018 /nfs/dbraw/zinc/88/80/18/1066888018.db2.gz CDZFRKZYRCNKMZ-QFIPXVFZSA-N 1 0 455.695 4.651 20 0 JJADRO O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001448008944 1066889956 /nfs/dbraw/zinc/88/99/56/1066889956.db2.gz YFLKQXJUMZKKCS-CVDCTZTESA-N 1 0 456.428 4.899 20 0 JJADRO CO[C@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccccc1Br ZINC001448060062 1066895128 /nfs/dbraw/zinc/89/51/28/1066895128.db2.gz DKVASPFYKOVNEF-ROUUACIJSA-N 1 0 459.306 4.575 20 0 JJADRO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448070763 1066896373 /nfs/dbraw/zinc/89/63/73/1066896373.db2.gz WRWKJRSIUFJFOZ-GOSISDBHSA-N 1 0 459.553 4.755 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC001448072474 1066897064 /nfs/dbraw/zinc/89/70/64/1066897064.db2.gz ZESLXYHWWXVNQN-INIZCTEOSA-N 1 0 451.470 4.645 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001492729184 1066898881 /nfs/dbraw/zinc/89/88/81/1066898881.db2.gz WQKYHLPOKKCNNO-XMMPIXPASA-N 1 0 493.700 4.609 20 0 JJADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccccc4Cl)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001492730020 1066900262 /nfs/dbraw/zinc/90/02/62/1066900262.db2.gz OJIWZYXHZMXNTC-OAQYLSRUSA-N 1 0 470.065 4.984 20 0 JJADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126892 1066902875 /nfs/dbraw/zinc/90/28/75/1066902875.db2.gz UOJZRFHVDWDOAD-XZOQPEGZSA-N 1 0 451.611 4.798 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492732500 1066903835 /nfs/dbraw/zinc/90/38/35/1066903835.db2.gz QAKFZZUWYJRMAE-IOZGHAEBSA-N 1 0 469.703 4.909 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001492732164 1066904154 /nfs/dbraw/zinc/90/41/54/1066904154.db2.gz JZXGYDKVNQIGJB-RTBURBONSA-N 1 0 469.684 4.763 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3C)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492732979 1066906588 /nfs/dbraw/zinc/90/65/88/1066906588.db2.gz YVNAUNBTZZMKBS-QHCPKHFHSA-N 1 0 463.674 4.910 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492733784 1066907406 /nfs/dbraw/zinc/90/74/06/1066907406.db2.gz SLJORXCGVQHZQG-ZRCGQRJVSA-N 1 0 455.695 4.665 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492733891 1066907585 /nfs/dbraw/zinc/90/75/85/1066907585.db2.gz VTBPKPKUQCZYCH-NOTKUDSHSA-N 1 0 455.695 4.665 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492733928 1066907925 /nfs/dbraw/zinc/90/79/25/1066907925.db2.gz WUVFPDQZDSHSJG-URXFXBBRSA-N 1 0 455.695 4.667 20 0 JJADRO Cc1c(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)cnn1-c1ccccc1Cl ZINC001457748193 1066910306 /nfs/dbraw/zinc/91/03/06/1066910306.db2.gz SSZJKEMEJSCPLE-UHFFFAOYSA-N 1 0 452.002 4.925 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)CC3CCCC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492737858 1066913228 /nfs/dbraw/zinc/91/32/28/1066913228.db2.gz GDDKRRHGGYAVQX-NHCUHLMSSA-N 1 0 455.695 4.524 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC001492738707 1066913691 /nfs/dbraw/zinc/91/36/91/1066913691.db2.gz HEPWRKRNOCHIOE-RXVVDRJESA-N 1 0 495.619 4.673 20 0 JJADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O ZINC001457762560 1066913869 /nfs/dbraw/zinc/91/38/69/1066913869.db2.gz KACGORQTCHWWKM-UHFFFAOYSA-N 1 0 457.361 4.696 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC[NH+]2CCC(C)CC2)n1 ZINC001492740523 1066915871 /nfs/dbraw/zinc/91/58/71/1066915871.db2.gz YNGODQAUAGHNMO-QHCPKHFHSA-N 1 0 455.695 4.667 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001492741350 1066917108 /nfs/dbraw/zinc/91/71/08/1066917108.db2.gz YLYUDHSTHGSLDY-DEOSSOPVSA-N 1 0 477.682 4.919 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001492741351 1066917156 /nfs/dbraw/zinc/91/71/56/1066917156.db2.gz YLYUDHSTHGSLDY-XMMPIXPASA-N 1 0 477.682 4.919 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001492742091 1066918100 /nfs/dbraw/zinc/91/81/00/1066918100.db2.gz LOXWJLZIHDALOV-CVDCTZTESA-N 1 0 455.695 4.523 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001492745471 1066921382 /nfs/dbraw/zinc/92/13/82/1066921382.db2.gz POGDXHSCIZEBIY-QHCPKHFHSA-N 1 0 455.695 4.667 20 0 JJADRO CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001546005392 1066921682 /nfs/dbraw/zinc/92/16/82/1066921682.db2.gz AXARBUXALAGRRY-GOTSBHOMSA-N 1 0 488.721 4.578 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2CCSC(C)C)n1 ZINC001492746279 1066921762 /nfs/dbraw/zinc/92/17/62/1066921762.db2.gz NGVDVTSIPHXGOU-JOCHJYFZSA-N 1 0 487.762 4.762 20 0 JJADRO Cc1cc(C)n(Cc2nnc(N3CCc4c(F)cc(F)cc4[C@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001492747486 1066922681 /nfs/dbraw/zinc/92/26/81/1066922681.db2.gz BNKQZAWKLUZQAW-TZIWHRDSSA-N 1 0 485.627 4.518 20 0 JJADRO CC[C@@H](Cn1c(CC2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001546005858 1066925843 /nfs/dbraw/zinc/92/58/43/1066925843.db2.gz KRDARXWEBJQNGE-QFIPXVFZSA-N 1 0 473.065 4.614 20 0 JJADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC001457809514 1066925829 /nfs/dbraw/zinc/92/58/29/1066925829.db2.gz ZJOATEPWHNVPAK-GPXNEJASSA-N 1 0 470.455 4.844 20 0 JJADRO Cc1cc(C)n(CC2CCN(c3nnc(C4CCC4)n3CCC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001492758393 1066930151 /nfs/dbraw/zinc/93/01/51/1066930151.db2.gz BVYMNSHBDWOZHN-UHFFFAOYSA-N 1 0 455.695 4.784 20 0 JJADRO Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC001492766251 1066939085 /nfs/dbraw/zinc/93/90/85/1066939085.db2.gz GLYSJWKJHJRKEX-OFNKIYASSA-N 1 0 481.714 4.759 20 0 JJADRO CC[C@]1(C)CN(c2nnc(Cc3ccccc3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546095041 1066940928 /nfs/dbraw/zinc/94/09/28/1066940928.db2.gz FDZIUFCQPQJCLR-AJTFRIOCSA-N 1 0 453.675 4.695 20 0 JJADRO Cc1nnc(CCn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC001492767999 1066941844 /nfs/dbraw/zinc/94/18/44/1066941844.db2.gz KBQDHDQJHRJYCK-UHFFFAOYSA-N 1 0 474.078 4.559 20 0 JJADRO Cc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001492776878 1066947028 /nfs/dbraw/zinc/94/70/28/1066947028.db2.gz JASLSULXDZHFOY-YJBOKZPZSA-N 1 0 495.981 4.530 20 0 JJADRO Cc1nnc(N(C)Cc2csc(Br)c2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492782784 1066948025 /nfs/dbraw/zinc/94/80/25/1066948025.db2.gz YZHRQPYYZMEQNA-GASCZTMLSA-N 1 0 454.482 4.803 20 0 JJADRO Cc1nnc(N(C)CCCc2cc(-c3ccc(F)cc3)no2)n1CC1([NH+](C)C)CCCCC1 ZINC001492784482 1066948561 /nfs/dbraw/zinc/94/85/61/1066948561.db2.gz FGRJOMGKKBAKKY-UHFFFAOYSA-N 1 0 454.594 4.714 20 0 JJADRO Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001492783579 1066948598 /nfs/dbraw/zinc/94/85/98/1066948598.db2.gz VIFRFTZNOLPILN-HNNXBMFYSA-N 1 0 452.550 4.609 20 0 JJADRO Cc1nnc(N(C)CCc2ccc(Br)cc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001492784856 1066948661 /nfs/dbraw/zinc/94/86/61/1066948661.db2.gz AZGOPMHHTZYIKX-FQEVSTJZSA-N 1 0 474.472 4.927 20 0 JJADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)cc1 ZINC001457965691 1066949075 /nfs/dbraw/zinc/94/90/75/1066949075.db2.gz BLMXGMGJLALZMA-KRWDZBQOSA-N 1 0 450.486 4.910 20 0 JJADRO Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001492786297 1066949513 /nfs/dbraw/zinc/94/95/13/1066949513.db2.gz BVYHMFILOSKHFW-GCJKJVERSA-N 1 0 460.047 4.900 20 0 JJADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2nc3cc(OC)ccc3n2Cc2ccccc2)cc1 ZINC001457967161 1066949515 /nfs/dbraw/zinc/94/95/15/1066949515.db2.gz CLFLZLQUCZXOEZ-VWLOTQADSA-N 1 0 458.562 4.780 20 0 JJADRO Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001492786298 1066949604 /nfs/dbraw/zinc/94/96/04/1066949604.db2.gz BVYHMFILOSKHFW-PGRDOPGGSA-N 1 0 460.047 4.900 20 0 JJADRO CCn1cc(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(=O)c2cc(Cl)ccc21 ZINC001457970285 1066949707 /nfs/dbraw/zinc/94/97/07/1066949707.db2.gz PDGVXQKCEDUXFY-NRFANRHFSA-N 1 0 451.998 4.849 20 0 JJADRO CCn1cc(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(=O)c2cc(Cl)ccc21 ZINC001457970289 1066950108 /nfs/dbraw/zinc/95/01/08/1066950108.db2.gz PDGVXQKCEDUXFY-OAQYLSRUSA-N 1 0 451.998 4.849 20 0 JJADRO Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492795388 1066950855 /nfs/dbraw/zinc/95/08/55/1066950855.db2.gz VLSNXLBRCLLIOF-VBKZILBWSA-N 1 0 460.445 4.837 20 0 JJADRO Cc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492796697 1066950883 /nfs/dbraw/zinc/95/08/83/1066950883.db2.gz FXFJCRKBHPKQFA-BGYRXZFFSA-N 1 0 455.622 4.583 20 0 JJADRO Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001492799505 1066952611 /nfs/dbraw/zinc/95/26/11/1066952611.db2.gz GSUSJJLJEFJBOR-HYBUGGRVSA-N 1 0 460.066 4.558 20 0 JJADRO Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001492799504 1066952654 /nfs/dbraw/zinc/95/26/54/1066952654.db2.gz GSUSJJLJEFJBOR-GBXCKJPGSA-N 1 0 460.066 4.558 20 0 JJADRO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001492830399 1066955317 /nfs/dbraw/zinc/95/53/17/1066955317.db2.gz JHUAJXFKOSYILP-IBGZPJMESA-N 1 0 468.646 4.761 20 0 JJADRO Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492847630 1066957662 /nfs/dbraw/zinc/95/76/62/1066957662.db2.gz KNCGBIDLEWTMBN-WIYYLYMNSA-N 1 0 465.564 4.819 20 0 JJADRO C[C@@H]1C[C@H](CCNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C[N@@H+]1Cc1ccccc1 ZINC001458054309 1066962670 /nfs/dbraw/zinc/96/26/70/1066962670.db2.gz BOXJGIBKCFDOTR-QUCCMNQESA-N 1 0 456.512 4.922 20 0 JJADRO C[C@H]1C[C@H](CCNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C[N@@H+]1Cc1ccccc1 ZINC001458061098 1066964968 /nfs/dbraw/zinc/96/49/68/1066964968.db2.gz VJHUVRBPDXRCBK-ICSRJNTNSA-N 1 0 453.533 4.969 20 0 JJADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(CC)[C@@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702467 1066965074 /nfs/dbraw/zinc/96/50/74/1066965074.db2.gz DADDWUBJKSBORR-RDPSFJRHSA-N 1 0 452.595 4.547 20 0 JJADRO CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001546010085 1066965169 /nfs/dbraw/zinc/96/51/69/1066965169.db2.gz FGBLFGLZJNDJSU-UPVQGACJSA-N 1 0 471.715 4.926 20 0 JJADRO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001448921607 1066970090 /nfs/dbraw/zinc/97/00/90/1066970090.db2.gz LUBYBVZLEVHAEA-UHFFFAOYSA-N 1 0 455.908 4.849 20 0 JJADRO CC[C@@H](c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545717878 1066972291 /nfs/dbraw/zinc/97/22/91/1066972291.db2.gz SXJFTCSWPPAHFX-QPTUXGOLSA-N 1 0 465.642 4.967 20 0 JJADRO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545719747 1066973641 /nfs/dbraw/zinc/97/36/41/1066973641.db2.gz LMGLQOYFJSRTIP-PEOQXSMVSA-N 1 0 494.728 4.824 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2oc3c(c2C)c(C)ccc3C)cc1OC ZINC001458096197 1066974062 /nfs/dbraw/zinc/97/40/62/1066974062.db2.gz FHTZKQZQCVIXFJ-UHFFFAOYSA-N 1 0 451.567 4.691 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2sccc2-c2ccccc2)cc1OC ZINC001458098028 1066974591 /nfs/dbraw/zinc/97/45/91/1066974591.db2.gz MDYUVOUDJBIYOZ-UHFFFAOYSA-N 1 0 451.592 4.748 20 0 JJADRO CC[C@H](c1nnc(N(C)[C@H]2CCSC2)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545720477 1066975244 /nfs/dbraw/zinc/97/52/44/1066975244.db2.gz XQHAPYFMUVJLFI-SFTDATJTSA-N 1 0 459.729 4.589 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545722098 1066977387 /nfs/dbraw/zinc/97/73/87/1066977387.db2.gz NTFYZWQDOMDCJT-RCZVLFRGSA-N 1 0 463.674 4.793 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545722603 1066978336 /nfs/dbraw/zinc/97/83/36/1066978336.db2.gz XISNXZMQXNJQTC-FYYLOGMGSA-N 1 0 495.741 4.542 20 0 JJADRO CC[C@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545722605 1066978377 /nfs/dbraw/zinc/97/83/77/1066978377.db2.gz XISNXZMQXNJQTC-GMAHTHKFSA-N 1 0 495.741 4.542 20 0 JJADRO CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1c(C)nn(C)c1C)[NH+]1CCCC1 ZINC001545722701 1066978768 /nfs/dbraw/zinc/97/87/68/1066978768.db2.gz YYGZMRKPJVHPPT-RPWUZVMVSA-N 1 0 463.674 4.681 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@H](CC)[NH+]1CCCC1)c1ccccc1 ZINC001545722699 1066978857 /nfs/dbraw/zinc/97/88/57/1066978857.db2.gz YYGZMRKPJVHPPT-BJKOFHAPSA-N 1 0 463.674 4.681 20 0 JJADRO CC[C@@H](c1nnc(N(C)C[C@H]2CCOC2)n1C[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC001545724013 1066980096 /nfs/dbraw/zinc/98/00/96/1066980096.db2.gz KNTUJINXAKWQAZ-CEMLEFRQSA-N 1 0 453.656 4.657 20 0 JJADRO CC[C@@H](c1nnc(N(C)Cc2nccs2)n1C[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545724436 1066981273 /nfs/dbraw/zinc/98/12/73/1066981273.db2.gz QGSQSCVAHLDIOP-WOJBJXKFSA-N 1 0 450.612 4.809 20 0 JJADRO CC[C@H](c1nnc(N(C)CC2CCCCC2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001545724905 1066981939 /nfs/dbraw/zinc/98/19/39/1066981939.db2.gz ZLGIYTICIWLPBC-DEOSSOPVSA-N 1 0 453.675 4.947 20 0 JJADRO Cc1cc(NC(=O)c2c(F)cccc2Br)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001458124288 1066982665 /nfs/dbraw/zinc/98/26/65/1066982665.db2.gz KHSATBLAZAFDRY-KRWDZBQOSA-N 1 0 457.347 4.792 20 0 JJADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001449155111 1066985768 /nfs/dbraw/zinc/98/57/68/1066985768.db2.gz UEMHESXYKVBJAE-HXUWFJFHSA-N 1 0 450.465 4.806 20 0 JJADRO CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1=O ZINC001449165176 1066986697 /nfs/dbraw/zinc/98/66/97/1066986697.db2.gz QFTNTQVAMYDBLQ-SESVDKBCSA-N 1 0 456.030 4.668 20 0 JJADRO CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001449175414 1066987464 /nfs/dbraw/zinc/98/74/64/1066987464.db2.gz OUPMJWLGPNZMKB-PKTZIBPZSA-N 1 0 455.643 4.585 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)s1 ZINC001449179571 1066987827 /nfs/dbraw/zinc/98/78/27/1066987827.db2.gz XJGYGAOEQHIETL-HXUWFJFHSA-N 1 0 457.640 4.927 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccccc3OCc3c(C)noc3C)C2)s1 ZINC001449179247 1066987914 /nfs/dbraw/zinc/98/79/14/1066987914.db2.gz WADFZCOSKLZGBZ-FQEVSTJZSA-N 1 0 453.608 4.834 20 0 JJADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cc3ccc(Br)c(Cl)c3)C2)s1 ZINC001449180472 1066987961 /nfs/dbraw/zinc/98/79/61/1066987961.db2.gz ZRZKPEQPBUWKQE-MRXNPFEDSA-N 1 0 455.849 4.995 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731545 1066991684 /nfs/dbraw/zinc/99/16/84/1066991684.db2.gz PVNYJEOQXOYKIV-XQBPLPMBSA-N 1 0 453.034 4.836 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1cnc(C)s1)[NH+]1CCCC1 ZINC001546012293 1066991768 /nfs/dbraw/zinc/99/17/68/1066991768.db2.gz GBIRTYGORYOHAD-NRFANRHFSA-N 1 0 468.671 4.750 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1([NH+](C)C)CCC1)c1ccccc1 ZINC001545732140 1066993008 /nfs/dbraw/zinc/99/30/08/1066993008.db2.gz YFJUPOYXSCBCFB-WWNPGLIZSA-N 1 0 496.700 4.654 20 0 JJADRO CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732007 1066993017 /nfs/dbraw/zinc/99/30/17/1066993017.db2.gz WESHESPCHZGVSS-MQSCRBSSSA-N 1 0 484.689 4.606 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545733439 1066994528 /nfs/dbraw/zinc/99/45/28/1066994528.db2.gz BLZLMDSHOVFBET-PPJWLVRDSA-N 1 0 494.728 4.681 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC001545733444 1066994804 /nfs/dbraw/zinc/99/48/04/1066994804.db2.gz BNJLMDOQJBWCSC-SWHJIRTISA-N 1 0 493.618 4.692 20 0 JJADRO CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001546012674 1066995096 /nfs/dbraw/zinc/99/50/96/1066995096.db2.gz MKOKYLCLOMEBFM-LJQANCHMSA-N 1 0 469.527 4.649 20 0 JJADRO CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545734398 1066997271 /nfs/dbraw/zinc/99/72/71/1066997271.db2.gz RTWGCYRGQORERB-RXVVDRJESA-N 1 0 477.575 4.652 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545734399 1066997307 /nfs/dbraw/zinc/99/73/07/1066997307.db2.gz RTWGCYRGQORERB-WIYYLYMNSA-N 1 0 477.575 4.652 20 0 JJADRO CC[C@]1(C)CN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001546097768 1066997488 /nfs/dbraw/zinc/99/74/88/1066997488.db2.gz POKLHFPQPKODDU-VDWGHMIBSA-N 1 0 497.728 4.834 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545735943 1066999342 /nfs/dbraw/zinc/99/93/42/1066999342.db2.gz IXCGEWPFAIMIHZ-CQOQZXRMSA-N 1 0 453.675 4.944 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735897 1066999397 /nfs/dbraw/zinc/99/93/97/1066999397.db2.gz IDNGLLVTVGFHSO-XJBUMPMFSA-N 1 0 483.701 4.569 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545736185 1066999829 /nfs/dbraw/zinc/99/98/29/1066999829.db2.gz LRXBGJZERZBTDT-ZCYQVOJMSA-N 1 0 466.718 4.720 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C)(COC)CC2)n1CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC001545736564 1067000082 /nfs/dbraw/zinc/00/00/82/1067000082.db2.gz RVPWNCYNVCBVNN-HSZRJFAPSA-N 1 0 485.742 4.900 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001545736356 1067000103 /nfs/dbraw/zinc/00/01/03/1067000103.db2.gz PHVKTQUGTHNOHC-RBBKRZOGSA-N 1 0 484.689 4.654 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545738124 1067001725 /nfs/dbraw/zinc/00/17/25/1067001725.db2.gz CFLQXHDIQOBTIJ-NOZRDPDXSA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC([NH2+]C(C)C)CC1)OC ZINC001546013370 1067002006 /nfs/dbraw/zinc/00/20/06/1067002006.db2.gz ZQLKIAQJNPYOBK-SFHVURJKSA-N 1 0 470.445 4.556 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001545738226 1067002353 /nfs/dbraw/zinc/00/23/53/1067002353.db2.gz DPOIIEBQTMVRJU-ISOPDOTQSA-N 1 0 497.728 4.553 20 0 JJADRO CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC001449355786 1067002603 /nfs/dbraw/zinc/00/26/03/1067002603.db2.gz LQAHMYILFLSZIC-RDGATRHJSA-N 1 0 453.652 4.875 20 0 JJADRO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001449355569 1067002787 /nfs/dbraw/zinc/00/27/87/1067002787.db2.gz LUPAMRRWNZMAJC-KRWDZBQOSA-N 1 0 459.434 4.990 20 0 JJADRO CC[C@@H](c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@H]1CCCOC1)c1ccccc1 ZINC001545739245 1067004762 /nfs/dbraw/zinc/00/47/62/1067004762.db2.gz WKSAZJNCPQRZIK-UKILVPOCSA-N 1 0 453.675 4.803 20 0 JJADRO O=C(C1CCc2ccccc2CC1)N(CCn1ccnc1)Cc1ccccc1Br ZINC001449377137 1067005411 /nfs/dbraw/zinc/00/54/11/1067005411.db2.gz UAQOAYJCTBRUDZ-UHFFFAOYSA-N 1 0 452.396 4.870 20 0 JJADRO CC[C@@H](c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](OC)C(C)C)c1ccccc1 ZINC001545740604 1067005382 /nfs/dbraw/zinc/00/53/82/1067005382.db2.gz ANMJEIUMYTWTBR-RPBOFIJWSA-N 1 0 453.675 4.946 20 0 JJADRO O=C(c1cc(C2CC2)cnc1Cl)N(CCn1ccnc1)Cc1ccccc1Br ZINC001449375570 1067005424 /nfs/dbraw/zinc/00/54/24/1067005424.db2.gz PHPDWMCFQIKUCE-UHFFFAOYSA-N 1 0 459.775 4.914 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740635 1067005651 /nfs/dbraw/zinc/00/56/51/1067005651.db2.gz AZKUDMWSLANADR-LOSJGSFVSA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@@H](Cn1c(N(C)Cc2cnc(C(C)C)nc2)nnc1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001546014075 1067008478 /nfs/dbraw/zinc/00/84/78/1067008478.db2.gz BEAXJEXPXMVVKY-DEOSSOPVSA-N 1 0 475.685 4.962 20 0 JJADRO CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001545741810 1067008559 /nfs/dbraw/zinc/00/85/59/1067008559.db2.gz WTTFPTQEDFGKPX-ZQRMPTRQSA-N 1 0 498.716 4.900 20 0 JJADRO CC[C@H](Cn1c(N(C)Cc2cnc(C(C)C)nc2)nnc1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001546014076 1067008700 /nfs/dbraw/zinc/00/87/00/1067008700.db2.gz BEAXJEXPXMVVKY-XMMPIXPASA-N 1 0 475.685 4.962 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NOC3CC[NH+](C)CC3)cc12 ZINC001449418932 1067008865 /nfs/dbraw/zinc/00/88/65/1067008865.db2.gz DVMYPLFBJRGYTB-UHFFFAOYSA-N 1 0 453.395 4.517 20 0 JJADRO CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001458234325 1067009019 /nfs/dbraw/zinc/00/90/19/1067009019.db2.gz VJYRJBHPNQCYRP-QPXUXIHVSA-N 1 0 457.659 4.733 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545743387 1067010197 /nfs/dbraw/zinc/01/01/97/1067010197.db2.gz JGCUZLIBDVURLX-RPLLCQBOSA-N 1 0 453.675 4.946 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC[S@@](=O)CC)c1ccccc1 ZINC001545745371 1067011575 /nfs/dbraw/zinc/01/15/75/1067011575.db2.gz ANLAQPDWKWAJBB-CUXGESSCSA-N 1 0 485.742 4.681 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@@](C)(OC)C2)n1CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC001545745773 1067012745 /nfs/dbraw/zinc/01/27/45/1067012745.db2.gz GNMALLRENHACIV-WNCULLNHSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)C2)n1CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC001545745774 1067012825 /nfs/dbraw/zinc/01/28/25/1067012825.db2.gz GNMALLRENHACIV-YIXXDRMTSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@H](Cn1c(N2CCC(C(F)(F)F)(C(F)(F)F)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546015262 1067013735 /nfs/dbraw/zinc/01/37/35/1067013735.db2.gz XDEOFGIPQABJLJ-CQSZACIVSA-N 1 0 455.491 4.771 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC(C)(C)O)c1ccccc1 ZINC001545746275 1067013922 /nfs/dbraw/zinc/01/39/22/1067013922.db2.gz MJOOZNAHHRQOLY-UPVQGACJSA-N 1 0 453.675 4.683 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccccc1 ZINC001449574046 1067015129 /nfs/dbraw/zinc/01/51/29/1067015129.db2.gz CJMBRMHJYAFRNG-PKTZIBPZSA-N 1 0 457.659 4.954 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545746912 1067016008 /nfs/dbraw/zinc/01/60/08/1067016008.db2.gz XAERNCJXOSUNPX-XJTUCQONSA-N 1 0 453.675 4.946 20 0 JJADRO CCC[C@H]1CN(C(=O)[C@@H](OC)c2ccc(Br)s2)CC[N@@H+]1Cc1ccccc1 ZINC001458273332 1067018173 /nfs/dbraw/zinc/01/81/73/1067018173.db2.gz CHFZUGPKNQEWOU-PXNSSMCTSA-N 1 0 451.430 4.711 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C)c1ccccc1 ZINC001545748827 1067018670 /nfs/dbraw/zinc/01/86/70/1067018670.db2.gz GGWHXZULCRNXGS-VXNXHJTFSA-N 1 0 496.700 4.654 20 0 JJADRO Cc1cc(Cl)ccc1O[C@H](C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC001449663121 1067019250 /nfs/dbraw/zinc/01/92/50/1067019250.db2.gz TVQAPSNRSDOURP-VWLOTQADSA-N 1 0 457.014 4.729 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(NC(=O)C2(CNC(=O)OC(C)(C)C)CC2)cc1)C[C@@H]1CCCCO1 ZINC001458285166 1067021321 /nfs/dbraw/zinc/02/13/21/1067021321.db2.gz VTIHPCNMJVSYHV-QFIPXVFZSA-N 1 0 459.631 4.710 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@H]2C(C)C)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545750043 1067022066 /nfs/dbraw/zinc/02/20/66/1067022066.db2.gz XJUZITTXFRDXNG-ARMFNRFLSA-N 1 0 466.718 4.718 20 0 JJADRO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001545750217 1067022553 /nfs/dbraw/zinc/02/25/53/1067022553.db2.gz ZMEMREZPRZOODJ-CYXNTTPDSA-N 1 0 494.728 4.681 20 0 JJADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545751655 1067024884 /nfs/dbraw/zinc/02/48/84/1067024884.db2.gz JKNZCXYWVYTMCX-DEOSSOPVSA-N 1 0 498.716 4.998 20 0 JJADRO CC[C@H](c1nnc(N2CCCCCCC2)n1CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001545751710 1067025691 /nfs/dbraw/zinc/02/56/91/1067025691.db2.gz KEYGWIYMXXFZJX-RPBOFIJWSA-N 1 0 453.675 4.827 20 0 JJADRO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCCC1 ZINC001546017250 1067026365 /nfs/dbraw/zinc/02/63/65/1067026365.db2.gz RATCRSNAIOXNMH-CZYKHXBRSA-N 1 0 474.694 4.550 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)SC)c1ccccc1 ZINC001545753877 1067029550 /nfs/dbraw/zinc/02/95/50/1067029550.db2.gz ADOHVIVDXZWZOV-GGAORHGYSA-N 1 0 471.715 4.510 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001545754448 1067030887 /nfs/dbraw/zinc/03/08/87/1067030887.db2.gz NCBGIKWHPPNUTJ-LADGPHEKSA-N 1 0 496.700 4.609 20 0 JJADRO CC[C@H](c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)CC)c1ccccc1 ZINC001545754520 1067031091 /nfs/dbraw/zinc/03/10/91/1067031091.db2.gz OZMSVXFYJUKSBW-UPVQGACJSA-N 1 0 453.675 4.805 20 0 JJADRO CC[C@H](c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001545754725 1067031718 /nfs/dbraw/zinc/03/17/18/1067031718.db2.gz TZIQZIYJRIXSOP-DEOSSOPVSA-N 1 0 494.728 4.779 20 0 JJADRO CC[C@@H](Cn1c(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546017636 1067032461 /nfs/dbraw/zinc/03/24/61/1067032461.db2.gz YORWLEGQLFWQGK-PZJWPPBQSA-N 1 0 477.600 4.629 20 0 JJADRO CC[C@H](Cn1c(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001546017634 1067032521 /nfs/dbraw/zinc/03/25/21/1067032521.db2.gz YORWLEGQLFWQGK-CTNGQTDRSA-N 1 0 477.600 4.629 20 0 JJADRO CC[C@@H](Cn1c(N2CC[C@H](C[NH+]3CCCCC3)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546017706 1067033187 /nfs/dbraw/zinc/03/31/87/1067033187.db2.gz ZXHVZVOBDYDSSR-RTWAWAEBSA-N 1 0 457.638 4.885 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3cc(Oc4ccccc4)ccc3O)CC2)cc1 ZINC001449901516 1067035842 /nfs/dbraw/zinc/03/58/42/1067035842.db2.gz JOSIQZLZJVIVDX-UHFFFAOYSA-N 1 0 459.546 4.537 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001545758156 1067036385 /nfs/dbraw/zinc/03/63/85/1067036385.db2.gz ASPNJLXQBPKILA-ACIOBRDBSA-N 1 0 492.634 4.767 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)CCC(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC001449907773 1067036588 /nfs/dbraw/zinc/03/65/88/1067036588.db2.gz YWYXADUESKBFQP-UHFFFAOYSA-N 1 0 457.574 4.542 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758763 1067039703 /nfs/dbraw/zinc/03/97/03/1067039703.db2.gz MILWMVTXBXSJAP-DNQXCXABSA-N 1 0 453.675 4.947 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1Cc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545758680 1067040039 /nfs/dbraw/zinc/04/00/39/1067040039.db2.gz LKCIPWOZNJXIFV-GHTZIAJQSA-N 1 0 472.559 4.813 20 0 JJADRO CC[C@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758895 1067040292 /nfs/dbraw/zinc/04/02/92/1067040292.db2.gz OWNXEHMENKMAFU-IRLDBZIGSA-N 1 0 484.689 4.654 20 0 JJADRO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758894 1067040344 /nfs/dbraw/zinc/04/03/44/1067040344.db2.gz OWNXEHMENKMAFU-IFMALSPDSA-N 1 0 484.689 4.654 20 0 JJADRO CC[C@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758857 1067040396 /nfs/dbraw/zinc/04/03/96/1067040396.db2.gz OHJRASVORBPBNA-GGAORHGYSA-N 1 0 492.634 4.625 20 0 JJADRO CC[C@@H](c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCC[N@H+](C)C(C)C)c1ccccc1 ZINC001545759232 1067041484 /nfs/dbraw/zinc/04/14/84/1067041484.db2.gz VAMDOTSGVREXRF-RUZDIDTESA-N 1 0 480.701 4.532 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1F)[NH+]1CCCC1 ZINC001546018864 1067041988 /nfs/dbraw/zinc/04/19/88/1067041988.db2.gz KBDWDFZGLUMJMV-QZNHQXDQSA-N 1 0 475.628 4.986 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545760925 1067044146 /nfs/dbraw/zinc/04/41/46/1067044146.db2.gz KQFJYTJELTXZOI-NJYVYQBISA-N 1 0 479.591 4.708 20 0 JJADRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001450046622 1067044411 /nfs/dbraw/zinc/04/44/11/1067044411.db2.gz JPKSVVYYSBCQIV-NHCUHLMSSA-N 1 0 459.403 4.891 20 0 JJADRO CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@H+](C)C2CC2)CCO1 ZINC001546099840 1067044412 /nfs/dbraw/zinc/04/44/12/1067044412.db2.gz NTCJTOWDORCVRU-CCLHPLFOSA-N 1 0 469.674 4.643 20 0 JJADRO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001545761837 1067045936 /nfs/dbraw/zinc/04/59/36/1067045936.db2.gz XQWOQSZSBVWQHA-AKFKNWHVSA-N 1 0 465.642 4.967 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001545763319 1067047036 /nfs/dbraw/zinc/04/70/36/1067047036.db2.gz GWRILWAROIMDBM-HAUPEQAHSA-N 1 0 483.701 4.571 20 0 JJADRO Cc1nc(C2CCC2)sc1CC(=O)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC001458387288 1067047751 /nfs/dbraw/zinc/04/77/51/1067047751.db2.gz RQESESOCQPKHBX-KDURUIRLSA-N 1 0 455.668 4.587 20 0 JJADRO CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001458387946 1067048459 /nfs/dbraw/zinc/04/84/59/1067048459.db2.gz QHYVGRHGCHZZPN-XUEUYAKLSA-N 1 0 454.920 4.987 20 0 JJADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C(C)(C)Oc3cccc(Cl)c3)cc2)C[C@H]1C ZINC001458389865 1067049173 /nfs/dbraw/zinc/04/91/73/1067049173.db2.gz DEDBFJQYUWRHGQ-WOJBJXKFSA-N 1 0 459.030 4.823 20 0 JJADRO CC[C@@H](c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1C[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC001545764410 1067049141 /nfs/dbraw/zinc/04/91/41/1067049141.db2.gz VJYCYKHRJBLPOR-GVXSCFBNSA-N 1 0 453.675 4.803 20 0 JJADRO CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)cc1)[NH+]1CCCC1 ZINC001546019444 1067049409 /nfs/dbraw/zinc/04/94/09/1067049409.db2.gz UTPXSTXSJCSFFE-QPTUXGOLSA-N 1 0 469.674 4.716 20 0 JJADRO CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545765451 1067050311 /nfs/dbraw/zinc/05/03/11/1067050311.db2.gz BEEALFRHTABMRR-SDZTWWDVSA-N 1 0 453.675 4.539 20 0 JJADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C3(Cc4cccc(Cl)c4)CC3)cc2)C[C@@H]1C ZINC001458395937 1067050597 /nfs/dbraw/zinc/05/05/97/1067050597.db2.gz NOAIKPWIOOCEPY-SFTDATJTSA-N 1 0 455.042 4.988 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3cccc(C(F)(F)F)c3F)cc2)C[C@H]1C ZINC001458396529 1067051245 /nfs/dbraw/zinc/05/12/45/1067051245.db2.gz OMIMYGIRVBWGKR-CALCHBBNSA-N 1 0 452.492 4.784 20 0 JJADRO CSc1ccc([C@H](CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)[NH+](C)C)cc1 ZINC001450125911 1067051082 /nfs/dbraw/zinc/05/10/82/1067051082.db2.gz IXFVJEGHKNGWQC-STWLZBDKSA-N 1 0 461.672 4.697 20 0 JJADRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)O[C@@H](C)C2 ZINC001450126663 1067051333 /nfs/dbraw/zinc/05/13/33/1067051333.db2.gz JUBOEUXHKYOGGD-NQCBNZPSSA-N 1 0 454.636 4.653 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001450128118 1067051711 /nfs/dbraw/zinc/05/17/11/1067051711.db2.gz LSWZMEFXKKUTKQ-JOCHJYFZSA-N 1 0 457.640 4.508 20 0 JJADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C[C@@H]3OCc4cc(Cl)ccc43)cc2)C[C@H]1C ZINC001458398353 1067051845 /nfs/dbraw/zinc/05/18/45/1067051845.db2.gz RVIACANYHCXJNB-CEYNDMKZSA-N 1 0 457.014 4.627 20 0 JJADRO CSc1ccc([C@@H](CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)[NH+](C)C)cc1 ZINC001450132512 1067051966 /nfs/dbraw/zinc/05/19/66/1067051966.db2.gz PXHOMMIEISDSBY-GHTZIAJQSA-N 1 0 454.665 4.654 20 0 JJADRO CC[C@@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[N@@H+]2CCC[C@@H]2C)CCO1 ZINC001546100253 1067051968 /nfs/dbraw/zinc/05/19/68/1067051968.db2.gz VTCKVNPLYMTSIC-LVXARBLLSA-N 1 0 490.092 4.741 20 0 JJADRO CSc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)[NH+](C)C)cc1 ZINC001450140390 1067053487 /nfs/dbraw/zinc/05/34/87/1067053487.db2.gz YTDBIWMPSAXNEI-FQEVSTJZSA-N 1 0 459.413 4.594 20 0 JJADRO CCC(CC)(Cn1c(C(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545769451 1067055096 /nfs/dbraw/zinc/05/50/96/1067055096.db2.gz AQKZIASIXDJCEG-FQEVSTJZSA-N 1 0 462.683 4.550 20 0 JJADRO CCC(CC)(Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1)OC ZINC001545771325 1067058000 /nfs/dbraw/zinc/05/80/00/1067058000.db2.gz MBBQJMMHNVVTRU-LJQANCHMSA-N 1 0 461.626 4.683 20 0 JJADRO C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001450198918 1067059517 /nfs/dbraw/zinc/05/95/17/1067059517.db2.gz NZNBCFPGGZONJW-KSEOMHKRSA-N 1 0 471.667 4.773 20 0 JJADRO COc1cc(CCC(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)ccc1OCC(F)(F)F ZINC001450225787 1067061698 /nfs/dbraw/zinc/06/16/98/1067061698.db2.gz ITEYIBVJLLUGQP-UHFFFAOYSA-N 1 0 456.549 4.682 20 0 JJADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448244 1067063631 /nfs/dbraw/zinc/06/36/31/1067063631.db2.gz NOGCCJLWHBAHSS-SIKLNZKXSA-N 1 0 459.993 4.564 20 0 JJADRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1Br ZINC001458450478 1067065075 /nfs/dbraw/zinc/06/50/75/1067065075.db2.gz VERPCQZAIAKBPI-LIRRHRJNSA-N 1 0 455.755 4.673 20 0 JJADRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1Br ZINC001458450462 1067065399 /nfs/dbraw/zinc/06/53/99/1067065399.db2.gz VERPCQZAIAKBPI-IFXJQAMLSA-N 1 0 455.755 4.673 20 0 JJADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)cc1OC ZINC001458466198 1067069205 /nfs/dbraw/zinc/06/92/05/1067069205.db2.gz DETGGTBWXDHVRN-PKTZIBPZSA-N 1 0 472.029 4.799 20 0 JJADRO CCC(CC)(Cn1c(-c2ccccc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001545775753 1067069481 /nfs/dbraw/zinc/06/94/81/1067069481.db2.gz JPEVKESPCHRZFL-IRLDBZIGSA-N 1 0 482.673 4.702 20 0 JJADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccc(F)cc1OC(F)F ZINC001458504009 1067076679 /nfs/dbraw/zinc/07/66/79/1067076679.db2.gz ZTXOWOPXUSDJBX-PDIWNELESA-N 1 0 469.507 4.915 20 0 JJADRO CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)OC ZINC001545781223 1067077271 /nfs/dbraw/zinc/07/72/71/1067077271.db2.gz XECVSMKTEIEANM-UHFFFAOYSA-N 1 0 462.642 4.566 20 0 JJADRO CC[NH+](CC)[C@@H](C(=O)NCc1cccc(C2(C)OCCO2)c1)c1cccc(C(F)(F)F)c1 ZINC001450459314 1067082258 /nfs/dbraw/zinc/08/22/58/1067082258.db2.gz FWAGWJJQUVYKSP-OAQYLSRUSA-N 1 0 450.501 4.624 20 0 JJADRO CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1)SC ZINC001545786667 1067082767 /nfs/dbraw/zinc/08/27/67/1067082767.db2.gz ULKGZWCLATWSJC-OAQYLSRUSA-N 1 0 475.678 4.555 20 0 JJADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC001458534554 1067083365 /nfs/dbraw/zinc/08/33/65/1067083365.db2.gz LLLWCHGYOCVCTK-UHFFFAOYSA-N 1 0 457.618 4.719 20 0 JJADRO CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)OC ZINC001545789514 1067086024 /nfs/dbraw/zinc/08/60/24/1067086024.db2.gz JWHLVWMJWFKRHP-QHCPKHFHSA-N 1 0 476.669 4.570 20 0 JJADRO CC(C)Oc1ccc([C@@H](CNC(=O)C(F)(F)c2ccc(Br)cc2)[NH+](C)C)cc1 ZINC001450538288 1067087664 /nfs/dbraw/zinc/08/76/64/1067087664.db2.gz CHIPULCZDPOTJJ-LJQANCHMSA-N 1 0 455.343 4.747 20 0 JJADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc3ccccc3n2Cc2ccncc2)[NH+](C)C)cc1 ZINC001450542939 1067088647 /nfs/dbraw/zinc/08/86/47/1067088647.db2.gz LSLGDQBUSSMNNT-HHHXNRCGSA-N 1 0 456.590 4.905 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568332 1067089114 /nfs/dbraw/zinc/08/91/14/1067089114.db2.gz QHKCFHSAAQZKEN-HFZDXXHNSA-N 1 0 457.590 4.734 20 0 JJADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001450553122 1067090489 /nfs/dbraw/zinc/09/04/89/1067090489.db2.gz ZEPZQZGOFKSEJY-JOCHJYFZSA-N 1 0 459.562 4.993 20 0 JJADRO CCCCSc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1C(F)(F)F ZINC001545794016 1067092210 /nfs/dbraw/zinc/09/22/10/1067092210.db2.gz RXIGHOIVYJLLFZ-PXNSSMCTSA-N 1 0 457.606 4.696 20 0 JJADRO CC1(C(=O)OCc2cn(-c3cccc(Cl)c3Cl)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC001458609937 1067094177 /nfs/dbraw/zinc/09/41/77/1067094177.db2.gz RASNPMIRIQTFGH-UHFFFAOYSA-N 1 0 459.377 4.920 20 0 JJADRO CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1)OC ZINC001545796457 1067096275 /nfs/dbraw/zinc/09/62/75/1067096275.db2.gz GIHZJXSBQGUGTN-DHIUTWEWSA-N 1 0 475.722 4.857 20 0 JJADRO CCC(CC)[C@H](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)OC ZINC001545798557 1067101133 /nfs/dbraw/zinc/10/11/33/1067101133.db2.gz NAULQZUNIGWOLI-VXKWHMMOSA-N 1 0 475.081 4.899 20 0 JJADRO CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001545799064 1067103646 /nfs/dbraw/zinc/10/36/46/1067103646.db2.gz WJQOXKVVTIQRHR-XMMPIXPASA-N 1 0 490.092 4.741 20 0 JJADRO CC(C)[C@H]1C[C@H](CC(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)CCO1 ZINC001450698385 1067106127 /nfs/dbraw/zinc/10/61/27/1067106127.db2.gz XVRNRQJFNPMRLV-XMSQKQJNSA-N 1 0 451.449 4.713 20 0 JJADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2coc(-c3ccccc3)n2)CC1 ZINC001450702040 1067106674 /nfs/dbraw/zinc/10/66/74/1067106674.db2.gz PRTUUALGQHKUCU-UHFFFAOYSA-N 1 0 454.368 4.841 20 0 JJADRO CCC(CC)[C@@H](CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC001545801220 1067108822 /nfs/dbraw/zinc/10/88/22/1067108822.db2.gz SLJNVEQLMVPPMC-QJMIMBQPSA-N 1 0 475.722 4.714 20 0 JJADRO COc1ccc(CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H](C)C2CC2)c(OC)c1 ZINC001450710028 1067108801 /nfs/dbraw/zinc/10/88/01/1067108801.db2.gz ILNJFFCQZPOIQD-CVDCTZTESA-N 1 0 454.586 4.882 20 0 JJADRO C[NH+](C)C[C@H](NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 ZINC001450712239 1067109408 /nfs/dbraw/zinc/10/94/08/1067109408.db2.gz XFAWWPOJNHXTLO-QHCPKHFHSA-N 1 0 454.929 4.508 20 0 JJADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC001450725361 1067110784 /nfs/dbraw/zinc/11/07/84/1067110784.db2.gz WFLUXCQOSAFDRO-UHFFFAOYSA-N 1 0 457.500 4.833 20 0 JJADRO CCC(CC)[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)OC ZINC001545803186 1067112010 /nfs/dbraw/zinc/11/20/10/1067112010.db2.gz JEJRLWZRBITBKQ-JLLPCOHGSA-N 1 0 475.722 4.713 20 0 JJADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001545803896 1067114772 /nfs/dbraw/zinc/11/47/72/1067114772.db2.gz WQPBVTZJPLULDB-FQEVSTJZSA-N 1 0 464.699 4.652 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)[NH+](C)C ZINC001545804884 1067116850 /nfs/dbraw/zinc/11/68/50/1067116850.db2.gz DEUGTISGACJODQ-IAGOWNOFSA-N 1 0 458.598 4.812 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545804908 1067117558 /nfs/dbraw/zinc/11/75/58/1067117558.db2.gz DPUSAGGBODDKEQ-XXBNENTESA-N 1 0 491.627 4.920 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001545805151 1067118307 /nfs/dbraw/zinc/11/83/07/1067118307.db2.gz IIPMLPWNYOBAJD-FGSXEWAUSA-N 1 0 463.667 4.865 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001545805258 1067118770 /nfs/dbraw/zinc/11/87/70/1067118770.db2.gz KBUYYXHKRLOIFW-YPCDYVTLSA-N 1 0 499.700 4.582 20 0 JJADRO CCC(CC)[C@@H](Cn1c(C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[NH+](C)C ZINC001545805503 1067119752 /nfs/dbraw/zinc/11/97/52/1067119752.db2.gz OHNJKQDWNGQRDW-VQTJNVASSA-N 1 0 454.432 4.862 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](OC)C1)[NH+](C)C ZINC001545805973 1067122066 /nfs/dbraw/zinc/12/20/66/1067122066.db2.gz WBTFYZABXFHJAS-PXDATVDWSA-N 1 0 464.658 4.783 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001545805986 1067122081 /nfs/dbraw/zinc/12/20/81/1067122081.db2.gz WJOOLDGRGPPNFQ-WATLYSKOSA-N 1 0 469.674 4.573 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001545806097 1067122232 /nfs/dbraw/zinc/12/22/32/1067122232.db2.gz ZALRBANLRWBKJG-MSYCTHLASA-N 1 0 460.066 4.970 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C)C1)[NH+](C)C ZINC001545806148 1067122928 /nfs/dbraw/zinc/12/29/28/1067122928.db2.gz ZTWCYRAQESZLMM-UZLBHIALSA-N 1 0 465.484 4.649 20 0 JJADRO CC(C)Cc1ccc([C@@H](CNC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)[NH+](C)C)cc1 ZINC001450806675 1067124061 /nfs/dbraw/zinc/12/40/61/1067124061.db2.gz URSKSOCXZHTLDK-HXUWFJFHSA-N 1 0 451.592 4.770 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001545807206 1067124077 /nfs/dbraw/zinc/12/40/77/1067124077.db2.gz CWRYXCLPIOCDGR-FGZHOGPDSA-N 1 0 490.574 4.627 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@H](SC)C1)[NH+]1CCOCC1 ZINC001545807253 1067124980 /nfs/dbraw/zinc/12/49/80/1067124980.db2.gz FBOPCZACAYDQAH-FCHUYYIVSA-N 1 0 475.703 4.705 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(Cl)cn2)CC1)[NH+](C)C ZINC001545807336 1067125543 /nfs/dbraw/zinc/12/55/43/1067125543.db2.gz GOFLNBRPUNBWTG-OAQYLSRUSA-N 1 0 486.064 4.588 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(C)C)CC1)[NH+](C)C ZINC001545807401 1067125562 /nfs/dbraw/zinc/12/55/62/1067125562.db2.gz HLXUMAULWAGIEN-HSZRJFAPSA-N 1 0 469.674 4.955 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(C)C)C1)[NH+](C)C ZINC001545807350 1067125591 /nfs/dbraw/zinc/12/55/91/1067125591.db2.gz GUKWRMWZIRILDU-YADHBBJMSA-N 1 0 492.506 4.935 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1)[NH+](C)C ZINC001545807405 1067126171 /nfs/dbraw/zinc/12/61/71/1067126171.db2.gz HNZXMWTZMZNFSD-FUDKSRODSA-N 1 0 460.066 4.828 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC001545807469 1067126202 /nfs/dbraw/zinc/12/62/02/1067126202.db2.gz ILRWUNIONYKIKC-PGRDOPGGSA-N 1 0 476.065 4.733 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC001545807467 1067126259 /nfs/dbraw/zinc/12/62/59/1067126259.db2.gz ILRWUNIONYKIKC-AVRDEDQJSA-N 1 0 476.065 4.733 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC001545807612 1067126976 /nfs/dbraw/zinc/12/69/76/1067126976.db2.gz LHJRVCUWKMNHQJ-JQVVWYNYSA-N 1 0 457.663 4.811 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1)[NH+](C)C ZINC001545807696 1067127438 /nfs/dbraw/zinc/12/74/38/1067127438.db2.gz MRELNRBDQZTDOP-UZLBHIALSA-N 1 0 482.456 4.618 20 0 JJADRO CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001546026564 1067127629 /nfs/dbraw/zinc/12/76/29/1067127629.db2.gz SEXBCKRWTKJYBS-UHFFFAOYSA-N 1 0 464.029 4.743 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@@H]1C)[NH+](C)C ZINC001545807754 1067128250 /nfs/dbraw/zinc/12/82/50/1067128250.db2.gz NSNSDHHRNLYCSV-MGPUTAFESA-N 1 0 498.897 4.953 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@@H]1C)[NH+](C)C ZINC001545807756 1067128280 /nfs/dbraw/zinc/12/82/80/1067128280.db2.gz NSNSDHHRNLYCSV-YWZLYKJASA-N 1 0 498.897 4.953 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001545807871 1067129619 /nfs/dbraw/zinc/12/96/19/1067129619.db2.gz PAYGKZLWWRIODM-DEOSSOPVSA-N 1 0 483.060 4.767 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001545807962 1067130915 /nfs/dbraw/zinc/13/09/15/1067130915.db2.gz QBWXEGHTARHFBW-GGAORHGYSA-N 1 0 491.627 4.572 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)CCC[C@H]12 ZINC001450846561 1067131199 /nfs/dbraw/zinc/13/11/99/1067131199.db2.gz JUYJXMIFXIUYKE-VMODYCNZSA-N 1 0 455.643 4.585 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+](C)C ZINC001545808087 1067131583 /nfs/dbraw/zinc/13/15/83/1067131583.db2.gz SDUFEAAQFJFWLI-CYFREDJKSA-N 1 0 464.658 4.863 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCc2oncc2C1)[NH+](C)C ZINC001545808096 1067131596 /nfs/dbraw/zinc/13/15/96/1067131596.db2.gz SGABOHGOWYPVDG-MRXNPFEDSA-N 1 0 493.475 4.686 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCc2oncc2C1)[NH+](C)C ZINC001545808095 1067131608 /nfs/dbraw/zinc/13/16/08/1067131608.db2.gz SGABOHGOWYPVDG-INIZCTEOSA-N 1 0 493.475 4.686 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccsc2)CC1)[NH+](C)C ZINC001545808066 1067131788 /nfs/dbraw/zinc/13/17/88/1067131788.db2.gz RTGUEKQFUCPUEV-QFIPXVFZSA-N 1 0 498.697 4.673 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001545808168 1067132256 /nfs/dbraw/zinc/13/22/56/1067132256.db2.gz UGDGVWGRCOJOPC-UXHICEINSA-N 1 0 497.034 4.612 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001545808195 1067132280 /nfs/dbraw/zinc/13/22/80/1067132280.db2.gz UMXSRMNSBUQKMG-FVJLSDCUSA-N 1 0 464.054 4.587 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001545808161 1067132324 /nfs/dbraw/zinc/13/23/24/1067132324.db2.gz TZTRLEYOUDLYRL-VXKWHMMOSA-N 1 0 478.106 4.677 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C)CC1)[NH+](C)C ZINC001545808257 1067133022 /nfs/dbraw/zinc/13/30/22/1067133022.db2.gz VODKQDRXXWEELW-AUSIDOKSSA-N 1 0 457.663 4.955 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCOCC1 ZINC001545808297 1067133061 /nfs/dbraw/zinc/13/30/61/1067133061.db2.gz WGPJIZRCUKTXLH-XUZZJYLKSA-N 1 0 499.700 4.726 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1)[NH+](C)C ZINC001545808435 1067134416 /nfs/dbraw/zinc/13/44/16/1067134416.db2.gz YQAOTBNJSFTSKV-KRWDZBQOSA-N 1 0 494.507 4.505 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCO[C@H](C)C1)[NH+](C)C ZINC001545808380 1067134430 /nfs/dbraw/zinc/13/44/30/1067134430.db2.gz XIMDJMIKLKBJDF-IERDGZPVSA-N 1 0 452.018 4.719 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545809528 1067135643 /nfs/dbraw/zinc/13/56/43/1067135643.db2.gz FOSFMPWTRGTTQT-DHIUTWEWSA-N 1 0 471.049 4.871 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCCC[C@H](COC)C1)[NH+]1CCOCC1 ZINC001545809287 1067135768 /nfs/dbraw/zinc/13/57/68/1067135768.db2.gz ACLYBPHNDYINKG-JYFHCDHNSA-N 1 0 483.701 4.643 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](c2ccccc2OC)C1)[NH+](C)C ZINC001545809687 1067136306 /nfs/dbraw/zinc/13/63/06/1067136306.db2.gz INUDMNWXPZRRFK-VWNXMTODSA-N 1 0 462.642 4.709 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]1Cc1cccs1)[NH+](C)C ZINC001545809689 1067136912 /nfs/dbraw/zinc/13/69/12/1067136912.db2.gz INYPTXVLIHUJSD-OFNKIYASSA-N 1 0 454.688 4.923 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1)[NH+](C)C ZINC001545809773 1067136929 /nfs/dbraw/zinc/13/69/29/1067136929.db2.gz JTYOFYDCUVMWPG-VGSGFSFPSA-N 1 0 460.066 4.826 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+](C)C ZINC001545809893 1067137022 /nfs/dbraw/zinc/13/70/22/1067137022.db2.gz MCMQRBYLZQWJFV-XMMPIXPASA-N 1 0 450.606 4.717 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCc2cccc(F)c2[C@@H]1C)[NH+](C)C ZINC001545809862 1067137029 /nfs/dbraw/zinc/13/70/29/1067137029.db2.gz LSOWXUSTQDRNQJ-FDDCHVKYSA-N 1 0 450.606 4.969 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC001545810194 1067137496 /nfs/dbraw/zinc/13/74/96/1067137496.db2.gz RLPQBEMVDORNOS-MHECFPHRSA-N 1 0 486.611 4.886 20 0 JJADRO CC[N@@H+]1CCCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC001450975631 1067138047 /nfs/dbraw/zinc/13/80/47/1067138047.db2.gz JJVUJUMRTZXVHE-QGZVFWFLSA-N 1 0 458.400 4.566 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ccoc1)[NH+]1CCOCC1 ZINC001545810297 1067138201 /nfs/dbraw/zinc/13/82/01/1067138201.db2.gz UGHUDQCJTWBYTR-QHCPKHFHSA-N 1 0 472.033 4.965 20 0 JJADRO CN1CC[C@@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@H]1c1ccc(F)cc1 ZINC001545811290 1067139611 /nfs/dbraw/zinc/13/96/11/1067139611.db2.gz RCHIUCLZEFEOEU-VQIMIIECSA-N 1 0 450.739 4.898 20 0 JJADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC001545811914 1067140151 /nfs/dbraw/zinc/14/01/51/1067140151.db2.gz FJDQAFHQFDGZPH-GCJKJVERSA-N 1 0 463.630 4.989 20 0 JJADRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC001545812489 1067141197 /nfs/dbraw/zinc/14/11/97/1067141197.db2.gz PIYLRNAFHMFJOC-PGRDOPGGSA-N 1 0 479.673 4.833 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001545812477 1067141205 /nfs/dbraw/zinc/14/12/05/1067141205.db2.gz PFNLSNUAOJEAQG-BJKOFHAPSA-N 1 0 457.638 4.611 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001545812874 1067141902 /nfs/dbraw/zinc/14/19/02/1067141902.db2.gz WTCWNECVBUWYKW-KNQAVFIVSA-N 1 0 476.710 4.605 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCc2cccc(Br)c2C1)[NH+](C)C ZINC001545812891 1067141929 /nfs/dbraw/zinc/14/19/29/1067141929.db2.gz XBKWVPIZSPXYTL-NRFANRHFSA-N 1 0 460.464 4.847 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC001545814398 1067142426 /nfs/dbraw/zinc/14/24/26/1067142426.db2.gz AQWAPYNFPWKIAO-GPUOULLFSA-N 1 0 469.674 4.507 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C)=C(C)C1)[NH+](C)C ZINC001545814606 1067142489 /nfs/dbraw/zinc/14/24/89/1067142489.db2.gz DJQJJUAWLXBVTF-QPPBQGQZSA-N 1 0 453.631 4.704 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)[NH+](C)C ZINC001545814849 1067143366 /nfs/dbraw/zinc/14/33/66/1067143366.db2.gz IDBSQQPNDNHSPF-WTIAFYNJSA-N 1 0 494.055 4.519 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1)[NH+](C)C ZINC001545814949 1067143429 /nfs/dbraw/zinc/14/34/29/1067143429.db2.gz JTQMGURTUDTEPJ-QGQQZZQASA-N 1 0 475.703 4.914 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C1CCCC1)[NH+](C)C ZINC001545814990 1067143492 /nfs/dbraw/zinc/14/34/92/1067143492.db2.gz KNGJXSYKELNEQA-XUZZJYLKSA-N 1 0 455.647 4.926 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1)[NH+](C)C ZINC001545814948 1067143506 /nfs/dbraw/zinc/14/35/06/1067143506.db2.gz JTQMGURTUDTEPJ-PVSGBFIBSA-N 1 0 475.703 4.914 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1)[NH+](C)C ZINC001545814946 1067143530 /nfs/dbraw/zinc/14/35/30/1067143530.db2.gz JTQMGURTUDTEPJ-FDTGPBLFSA-N 1 0 475.703 4.914 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1)[NH+](C)C ZINC001545815151 1067144156 /nfs/dbraw/zinc/14/41/56/1067144156.db2.gz MXGXQQZVROAQMD-DSITVLBTSA-N 1 0 468.690 4.967 20 0 JJADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001545815471 1067145245 /nfs/dbraw/zinc/14/52/45/1067145245.db2.gz QTFPZYYTUZKFLK-UGKGYDQZSA-N 1 0 473.735 4.642 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001545816953 1067145884 /nfs/dbraw/zinc/14/58/84/1067145884.db2.gz BBULEGCSALAGMM-UTKZUKDTSA-N 1 0 450.096 4.830 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCSC(C)(C)C1)[NH+](C)C ZINC001545817090 1067146599 /nfs/dbraw/zinc/14/65/99/1067146599.db2.gz DRFMWZDBEYMMJO-OAQYLSRUSA-N 1 0 459.704 4.576 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001545817155 1067146641 /nfs/dbraw/zinc/14/66/41/1067146641.db2.gz FQTMZGGSRFVHTN-RDGATRHJSA-N 1 0 464.633 4.763 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)[NH+](C)C ZINC001545817211 1067147462 /nfs/dbraw/zinc/14/74/62/1067147462.db2.gz GNLOPLPTDGLBCG-DHIUTWEWSA-N 1 0 457.711 4.888 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C)c(C)c2)CC1)[NH+]1CCOCC1 ZINC001545817231 1067148012 /nfs/dbraw/zinc/14/80/12/1067148012.db2.gz GUTBXFJCCSYBQH-HHHXNRCGSA-N 1 0 496.744 4.557 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCS[C@@H](C(C)C)C1)[NH+](C)C ZINC001545817246 1067148060 /nfs/dbraw/zinc/14/80/60/1067148060.db2.gz GZYOQKHCLTXBGM-XZOQPEGZSA-N 1 0 461.695 4.952 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001545817341 1067148720 /nfs/dbraw/zinc/14/87/20/1067148720.db2.gz INNRXLATJZUGBO-FYYLOGMGSA-N 1 0 465.690 4.755 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545817378 1067149232 /nfs/dbraw/zinc/14/92/32/1067149232.db2.gz IZERITMZFWMXED-JWQCQUIFSA-N 1 0 497.087 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)[NH+](C)C ZINC001545817436 1067150033 /nfs/dbraw/zinc/15/00/33/1067150033.db2.gz KBKGIGRXINNEDV-ZDXQCDESSA-N 1 0 474.093 4.752 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001545817725 1067151089 /nfs/dbraw/zinc/15/10/89/1067151089.db2.gz OMNBCCLIUOLDLJ-AUSIDOKSSA-N 1 0 488.746 4.643 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+](C)C ZINC001545817774 1067151263 /nfs/dbraw/zinc/15/12/63/1067151263.db2.gz PJVHDROHCKUDPL-VWLOTQADSA-N 1 0 464.633 4.641 20 0 JJADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2ccco2)C1)[NH+]1CCOCC1 ZINC001545817892 1067151804 /nfs/dbraw/zinc/15/18/04/1067151804.db2.gz RLUCIFHFUDUSSM-YADHBBJMSA-N 1 0 457.663 4.591 20 0 JJADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC001545817834 1067151971 /nfs/dbraw/zinc/15/19/71/1067151971.db2.gz QHUBFCZCTNUWAF-XMMPIXPASA-N 1 0 471.665 4.771 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001545818163 1067152475 /nfs/dbraw/zinc/15/24/75/1067152475.db2.gz WVCRLZUHUAJPQA-LOSJGSFVSA-N 1 0 497.087 4.862 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1)[NH+](C)C ZINC001545818065 1067152532 /nfs/dbraw/zinc/15/25/32/1067152532.db2.gz VGYOSVDIVBDVJI-JOCHJYFZSA-N 1 0 484.737 4.545 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+](C)C ZINC001545818260 1067152542 /nfs/dbraw/zinc/15/25/42/1067152542.db2.gz YJXVFSVNBZFOGD-VWLOTQADSA-N 1 0 464.633 4.641 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1)[NH+](C)C ZINC001545818281 1067152652 /nfs/dbraw/zinc/15/26/52/1067152652.db2.gz YXMDQRHGWJWZFN-JOCHJYFZSA-N 1 0 478.726 4.538 20 0 JJADRO Cc1c(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001451192179 1067152689 /nfs/dbraw/zinc/15/26/89/1067152689.db2.gz DKRBZLCKTRIAQY-UHFFFAOYSA-N 1 0 459.525 4.575 20 0 JJADRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C)[NH+](C)C ZINC001545819153 1067153202 /nfs/dbraw/zinc/15/32/02/1067153202.db2.gz ASNPVGMWUBFWHN-TZRRMPRUSA-N 1 0 453.675 4.933 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001545819615 1067155395 /nfs/dbraw/zinc/15/53/95/1067155395.db2.gz JMQJJDYQBTXKNI-DEOSSOPVSA-N 1 0 473.637 4.514 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545819737 1067156226 /nfs/dbraw/zinc/15/62/26/1067156226.db2.gz LGPDKGAMUYZQST-GJZUVCINSA-N 1 0 476.109 4.779 20 0 JJADRO CCC(CC)[C@@H](Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1C1(c2ccccc2)CCC1)[NH+](C)C ZINC001545819803 1067156278 /nfs/dbraw/zinc/15/62/78/1067156278.db2.gz MOBDJSDBIXULQU-AREMUKBSSA-N 1 0 494.728 4.562 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001545819962 1067156422 /nfs/dbraw/zinc/15/64/22/1067156422.db2.gz PCECLBWNSMEBQE-TYPHKJRUSA-N 1 0 478.726 4.682 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCC(F)(F)CC1)[NH+]1CCOCC1 ZINC001545819886 1067156536 /nfs/dbraw/zinc/15/65/36/1067156536.db2.gz NWQZOFVCQLEOFQ-QHCPKHFHSA-N 1 0 491.627 4.538 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C)[NH+](C)C ZINC001545820005 1067156562 /nfs/dbraw/zinc/15/65/62/1067156562.db2.gz PYFYFRNOCRNNHP-BDTNDASRSA-N 1 0 460.066 4.969 20 0 JJADRO CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001545820193 1067158016 /nfs/dbraw/zinc/15/80/16/1067158016.db2.gz SEHQGZOMKLINDJ-NMMYMHLASA-N 1 0 490.092 4.882 20 0 JJADRO CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001545820261 1067158456 /nfs/dbraw/zinc/15/84/56/1067158456.db2.gz UVHZUAXIYNHMBS-NYVOZVTQSA-N 1 0 481.607 4.586 20 0 JJADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C)[NH+](C)C ZINC001545820494 1067159224 /nfs/dbraw/zinc/15/92/24/1067159224.db2.gz YOPZTZKUUZKHFB-GGAORHGYSA-N 1 0 469.703 4.544 20 0 JJADRO CCC(CC)[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(CCOC2)C1)[NH+](C)C ZINC001545820503 1067159815 /nfs/dbraw/zinc/15/98/15/1067159815.db2.gz YQSJXGUACHSGOO-BVAGGSTKSA-N 1 0 471.715 4.862 20 0 JJADRO CCC(CC)[C@H](Cn1c(N2CC[C@H](Cc3ccc(F)cc3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545820499 1067159826 /nfs/dbraw/zinc/15/98/26/1067159826.db2.gz YQAAJDBRDXWQDM-RDGATRHJSA-N 1 0 485.692 4.921 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C)[NH+](C)C ZINC001545821378 1067160542 /nfs/dbraw/zinc/16/05/42/1067160542.db2.gz BUOJPBMYTNCGIM-PSWRPDDJSA-N 1 0 463.711 4.567 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001545821434 1067161151 /nfs/dbraw/zinc/16/11/51/1067161151.db2.gz CZYNSNOKXJPNLI-WXFUMESZSA-N 1 0 475.722 4.714 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1)[NH+](C)C ZINC001545821409 1067161208 /nfs/dbraw/zinc/16/12/08/1067161208.db2.gz CKGRUCMVWXOTJO-DNVJHFABSA-N 1 0 476.065 4.727 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001545822189 1067162822 /nfs/dbraw/zinc/16/28/22/1067162822.db2.gz VXJANEXJXUIAAX-MRQKEVAZSA-N 1 0 475.722 4.568 20 0 JJADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C)C1)[NH+](C)C ZINC001545822208 1067163644 /nfs/dbraw/zinc/16/36/44/1067163644.db2.gz WKYNPOXLDHZNCM-CWJKEVGVSA-N 1 0 451.725 4.505 20 0 JJADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2)CC1)[NH+](C)C ZINC001545822266 1067163654 /nfs/dbraw/zinc/16/36/54/1067163654.db2.gz XOMHVGBECNWUIV-UODIDJSMSA-N 1 0 496.744 4.890 20 0 JJADRO Cc1cc(F)ccc1-n1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)n1 ZINC001458834966 1067163642 /nfs/dbraw/zinc/16/36/42/1067163642.db2.gz ICDJAEDSTMDSOI-QHCPKHFHSA-N 1 0 456.512 4.944 20 0 JJADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001545822437 1067164225 /nfs/dbraw/zinc/16/42/25/1067164225.db2.gz CCKCRVVZCDNSGA-UHFFFAOYSA-N 1 0 450.352 4.628 20 0 JJADRO CC(C)([C@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458838812 1067166255 /nfs/dbraw/zinc/16/62/55/1067166255.db2.gz UABPUHBKMUGDNN-HSZRJFAPSA-N 1 0 454.496 4.906 20 0 JJADRO CC(C)([C@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458839795 1067166339 /nfs/dbraw/zinc/16/63/39/1067166339.db2.gz UQSIDAREIZNYAZ-XUZZJYLKSA-N 1 0 458.549 4.868 20 0 JJADRO CC(C)([C@H](NC(=O)c1nc(F)ccc1Br)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458841204 1067167540 /nfs/dbraw/zinc/16/75/40/1067167540.db2.gz YDYKWLVPNVDEPL-GOSISDBHSA-N 1 0 456.306 4.607 20 0 JJADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC001451457121 1067172666 /nfs/dbraw/zinc/17/26/66/1067172666.db2.gz MFVCDMUUQUVWFA-UHFFFAOYSA-N 1 0 453.564 4.510 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001545826532 1067174607 /nfs/dbraw/zinc/17/46/07/1067174607.db2.gz PHPDCVNQNDTPAJ-FYQCMVGJSA-N 1 0 468.690 4.904 20 0 JJADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001451570679 1067178285 /nfs/dbraw/zinc/17/82/85/1067178285.db2.gz SBLVAELCJPPVEU-UHFFFAOYSA-N 1 0 454.492 4.528 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001545829550 1067179760 /nfs/dbraw/zinc/17/97/60/1067179760.db2.gz AAXIOCTWLYERKY-SQJMNOBHSA-N 1 0 480.701 4.688 20 0 JJADRO C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC001458871764 1067180766 /nfs/dbraw/zinc/18/07/66/1067180766.db2.gz CZNOOQQNHWYZPU-SUJOLCCYSA-N 1 0 451.577 4.904 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@H]1CCCCS1 ZINC001545830392 1067181791 /nfs/dbraw/zinc/18/17/91/1067181791.db2.gz TWQPWHQKPSYFSA-BJKOFHAPSA-N 1 0 498.741 4.583 20 0 JJADRO COc1cc(NC(=O)c2cc(C)nc3ccc(Br)cc32)ccc1OCC[NH+](C)C ZINC001451663062 1067184705 /nfs/dbraw/zinc/18/47/05/1067184705.db2.gz ASMJMBZTRJQFDY-UHFFFAOYSA-N 1 0 458.356 4.507 20 0 JJADRO COc1cc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)ccc1OCC[NH+](C)C ZINC001451668329 1067185553 /nfs/dbraw/zinc/18/55/53/1067185553.db2.gz LKVMIPDRXKXIDL-OALUTQOASA-N 1 0 451.592 4.934 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001545848526 1067200013 /nfs/dbraw/zinc/20/00/13/1067200013.db2.gz CASVQVXISFREJK-HYVLGVRCSA-N 1 0 480.701 4.589 20 0 JJADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001545848853 1067201570 /nfs/dbraw/zinc/20/15/70/1067201570.db2.gz GZSBIKDBOGMMMK-ZFGGDYGUSA-N 1 0 466.674 4.658 20 0 JJADRO CC[C@@H](c1nnc(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)o1)c1ccccc1 ZINC001458936911 1067202327 /nfs/dbraw/zinc/20/23/27/1067202327.db2.gz SNTODNJFFRCDCG-JOCHJYFZSA-N 1 0 450.608 4.616 20 0 JJADRO CC[C@H](c1nnc(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)o1)c1ccccc1 ZINC001458936913 1067202939 /nfs/dbraw/zinc/20/29/39/1067202939.db2.gz SNTODNJFFRCDCG-QFIPXVFZSA-N 1 0 450.608 4.616 20 0 JJADRO CC(C)N(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001452137940 1067208709 /nfs/dbraw/zinc/20/87/09/1067208709.db2.gz SDTPUHUWOZMMBY-OAQYLSRUSA-N 1 0 453.583 4.864 20 0 JJADRO CC(C)N(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001452138253 1067208850 /nfs/dbraw/zinc/20/88/50/1067208850.db2.gz QZAXZIKAGWMQGU-FGTQWKHKSA-N 1 0 455.643 4.701 20 0 JJADRO CCOc1ccccc1[C@@H](CC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC001452180955 1067212766 /nfs/dbraw/zinc/21/27/66/1067212766.db2.gz XGTJLTKGWBGIFT-YFNKSVMNSA-N 1 0 481.637 4.503 20 0 JJADRO Cc1cc(OCc2ccccc2)c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC001458976944 1067215248 /nfs/dbraw/zinc/21/52/48/1067215248.db2.gz XGFVPQYMKOROJG-QHCPKHFHSA-N 1 0 450.604 4.656 20 0 JJADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC001459044278 1067237753 /nfs/dbraw/zinc/23/77/53/1067237753.db2.gz HXDGWOAWPRUCND-UHFFFAOYSA-N 1 0 451.592 4.606 20 0 JJADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 ZINC001452663574 1067242492 /nfs/dbraw/zinc/24/24/92/1067242492.db2.gz GOFOJDYTHHUGSU-UHFFFAOYSA-N 1 0 456.546 4.554 20 0 JJADRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3coc(-c4ccccc4Cl)n3)cc2)C[C@H](C)O1 ZINC001452690488 1067244547 /nfs/dbraw/zinc/24/45/47/1067244547.db2.gz IVDZYSGRZPDQMY-HDICACEKSA-N 1 0 453.970 4.876 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC001452796419 1067252712 /nfs/dbraw/zinc/25/27/12/1067252712.db2.gz BXZRZDXRRHLPRX-HSZRJFAPSA-N 1 0 455.574 4.521 20 0 JJADRO CC(C)(C)OC(=O)NCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC001452796425 1067252802 /nfs/dbraw/zinc/25/28/02/1067252802.db2.gz BXZRZDXRRHLPRX-QHCPKHFHSA-N 1 0 455.574 4.521 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2CCCCC2)CC1 ZINC001452926246 1067265699 /nfs/dbraw/zinc/26/56/99/1067265699.db2.gz AEDMMHBPDULIEO-XMMPIXPASA-N 1 0 457.659 4.831 20 0 JJADRO C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC001459179497 1067266510 /nfs/dbraw/zinc/26/65/10/1067266510.db2.gz GCBMJZXSQODZRT-FGZHOGPDSA-N 1 0 457.659 4.629 20 0 JJADRO C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC001459179502 1067266591 /nfs/dbraw/zinc/26/65/91/1067266591.db2.gz GCBMJZXSQODZRT-SZPZYZBQSA-N 1 0 457.659 4.629 20 0 JJADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001452973065 1067269573 /nfs/dbraw/zinc/26/95/73/1067269573.db2.gz JYFHBUQJJLBUEG-UHFFFAOYSA-N 1 0 456.384 4.849 20 0 JJADRO CC(C)C1=CC2=CC[C@H]3[C@](C)(CCC[C@]3(C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@@H]2CC1 ZINC001453118610 1067280335 /nfs/dbraw/zinc/28/03/35/1067280335.db2.gz BXLBVHRNJPEWFP-CUFBHMEESA-N 1 0 457.703 4.600 20 0 JJADRO CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[NH+](CC(C)C)CC2)O1 ZINC001546047847 1067281285 /nfs/dbraw/zinc/28/12/85/1067281285.db2.gz FDJOTFQMDPZKTA-CJFMBICVSA-N 1 0 476.065 4.733 20 0 JJADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1)O2 ZINC001459316670 1067292177 /nfs/dbraw/zinc/29/21/77/1067292177.db2.gz BKUWTBAYIPROHA-RBUKOAKNSA-N 1 0 451.405 4.755 20 0 JJADRO CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[NH+](C(C)C)CC2)O1 ZINC001546048843 1067294458 /nfs/dbraw/zinc/29/44/58/1067294458.db2.gz QQNJMGWSPBAOER-MBSDFSHPSA-N 1 0 494.453 4.725 20 0 JJADRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001459346997 1067299390 /nfs/dbraw/zinc/29/93/90/1067299390.db2.gz BMYBEGVZXUOZKZ-IBGZPJMESA-N 1 0 453.421 4.828 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001453342409 1067299460 /nfs/dbraw/zinc/29/94/60/1067299460.db2.gz UXSFYEWKDYHFMW-OAHLLOKOSA-N 1 0 450.366 4.554 20 0 JJADRO CC(C)(C)CC[NH+]1CCN(CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)CC1 ZINC001459348951 1067300476 /nfs/dbraw/zinc/30/04/76/1067300476.db2.gz RZTJLPSBSLRKDU-UHFFFAOYSA-N 1 0 454.684 4.609 20 0 JJADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001453404797 1067304413 /nfs/dbraw/zinc/30/44/13/1067304413.db2.gz SHHZSAQGNAYCSV-QHCPKHFHSA-N 1 0 450.623 4.550 20 0 JJADRO Cc1ccc(C[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)Cc2ccco2)s1 ZINC001459382520 1067309102 /nfs/dbraw/zinc/30/91/02/1067309102.db2.gz ZIPXOJGGUHUWQS-UHFFFAOYSA-N 1 0 457.621 4.720 20 0 JJADRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccc2c1 ZINC001459386746 1067310261 /nfs/dbraw/zinc/31/02/61/1067310261.db2.gz ORCBUJABVFNHBW-ISKFKSNPSA-N 1 0 451.655 4.639 20 0 JJADRO CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)O1 ZINC001546052165 1067310751 /nfs/dbraw/zinc/31/07/51/1067310751.db2.gz SJKPBMPGJBZPNX-RXFWQSSRSA-N 1 0 455.647 4.612 20 0 JJADRO CN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccc(C(F)(F)F)c1 ZINC001459395189 1067312246 /nfs/dbraw/zinc/31/22/46/1067312246.db2.gz NRDIFNNIOUYOCU-NRFANRHFSA-N 1 0 453.936 4.744 20 0 JJADRO COC(=O)c1cc(Br)c(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1OC ZINC001459399779 1067313214 /nfs/dbraw/zinc/31/32/14/1067313214.db2.gz QQZFSCSBNHBCGS-UHFFFAOYSA-N 1 0 450.348 4.838 20 0 JJADRO CCC1(CC)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001546108630 1067313748 /nfs/dbraw/zinc/31/37/48/1067313748.db2.gz HILHXHANDTZCDC-QFIPXVFZSA-N 1 0 488.721 4.749 20 0 JJADRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001459401955 1067314070 /nfs/dbraw/zinc/31/40/70/1067314070.db2.gz WFCHGTPUFQRLNA-TZRRMPRUSA-N 1 0 458.643 4.892 20 0 JJADRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001459439666 1067325424 /nfs/dbraw/zinc/32/54/24/1067325424.db2.gz IIIUTQFPLDDHHE-JPYJTQIMSA-N 1 0 450.501 4.862 20 0 JJADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CC[N@H+](Cc4ccccc4)C(C)(C)C3)ccc2c1 ZINC001459460802 1067329245 /nfs/dbraw/zinc/32/92/45/1067329245.db2.gz XVZYZQYWHFTDEG-QFIPXVFZSA-N 1 0 459.634 4.792 20 0 JJADRO CC(C)c1ccc(CN2CCN(C(=O)C[NH+]3CCC(OCC4CCCCC4)CC3)CC2)cc1 ZINC001459481945 1067336197 /nfs/dbraw/zinc/33/61/97/1067336197.db2.gz FHBYKRJRIMFJFD-UHFFFAOYSA-N 1 0 455.687 4.516 20 0 JJADRO CCc1ccc(CN2CCN([C@H](C)C(=O)Nc3nc(-c4ccc(F)cc4)cs3)CC2)s1 ZINC001459516836 1067343169 /nfs/dbraw/zinc/34/31/69/1067343169.db2.gz MYKJYAXCKZOZEZ-MRXNPFEDSA-N 1 0 458.628 4.718 20 0 JJADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001459528950 1067345424 /nfs/dbraw/zinc/34/54/24/1067345424.db2.gz ZOEOIEQNXBPFJU-UXHICEINSA-N 1 0 454.640 4.525 20 0 JJADRO COc1cccc(C[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C2CCC(O)CC2)c1 ZINC001459529259 1067345921 /nfs/dbraw/zinc/34/59/21/1067345921.db2.gz OTVIGBDHVQEWAD-XVAXZDLZSA-N 1 0 454.394 4.547 20 0 JJADRO O=C(c1ccccc1F)N(CC(F)(F)F)C1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC001459530341 1067346237 /nfs/dbraw/zinc/34/62/37/1067346237.db2.gz PGGUYXGOKAKHFT-HXUWFJFHSA-N 1 0 458.883 4.682 20 0 JJADRO CCC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001459574305 1067355138 /nfs/dbraw/zinc/35/51/38/1067355138.db2.gz DWHRILHEANXWSS-JWQCQUIFSA-N 1 0 457.659 4.692 20 0 JJADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC001459581689 1067356329 /nfs/dbraw/zinc/35/63/29/1067356329.db2.gz UMPIXCHLFRLSPB-KRWDZBQOSA-N 1 0 454.924 4.728 20 0 JJADRO COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC001459580588 1067356632 /nfs/dbraw/zinc/35/66/32/1067356632.db2.gz AERSMYUSUYEBFT-LJQANCHMSA-N 1 0 450.604 4.996 20 0 JJADRO O=C(C[N@@H+](CCCO)[C@H]1CCCc2ccccc21)Nc1ccc(Br)cc1Cl ZINC001459584267 1067357441 /nfs/dbraw/zinc/35/74/41/1067357441.db2.gz RIGCGZPUFSHRMX-FQEVSTJZSA-N 1 0 451.792 4.803 20 0 JJADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)Cc2cccc(OCc3cccnc3)c2)CC1 ZINC001459595073 1067359658 /nfs/dbraw/zinc/35/96/58/1067359658.db2.gz QHGJCXCAMXLZDE-UHFFFAOYSA-N 1 0 458.606 4.620 20 0 JJADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cc1 ZINC001459596805 1067360344 /nfs/dbraw/zinc/36/03/44/1067360344.db2.gz WOECQADJKUPKMT-GOSISDBHSA-N 1 0 454.640 4.542 20 0 JJADRO CCc1cc2c(C[NH+]3CCC(N(CC4CC4)C(=O)OC(C)(C)C)CC3)cc(=O)oc2cc1O ZINC001459605315 1067361223 /nfs/dbraw/zinc/36/12/23/1067361223.db2.gz WCENNIZCHFIZID-UHFFFAOYSA-N 1 0 456.583 4.673 20 0 JJADRO CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546110465 1067362856 /nfs/dbraw/zinc/36/28/56/1067362856.db2.gz AJGUNULLUICKNY-OALUTQOASA-N 1 0 474.719 4.538 20 0 JJADRO CCc1ccc(-c2cc(NC(=O)CN(C)[C@@H]3CC[N@@H+](CC)[C@@H](C)C3)n(-c3ccccc3)n2)cc1 ZINC001459612450 1067364001 /nfs/dbraw/zinc/36/40/01/1067364001.db2.gz FOSLFPJFTDHEMJ-SQJMNOBHSA-N 1 0 459.638 4.845 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001459623511 1067366921 /nfs/dbraw/zinc/36/69/21/1067366921.db2.gz LSUHGYAARRSGMZ-PNIUZAESSA-N 1 0 452.639 4.828 20 0 JJADRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC001459627480 1067367982 /nfs/dbraw/zinc/36/79/82/1067367982.db2.gz RTTHPQPVDZJJHA-BJKOFHAPSA-N 1 0 453.627 4.510 20 0 JJADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001459647747 1067371353 /nfs/dbraw/zinc/37/13/53/1067371353.db2.gz WLUNKBHVXKIAAI-UHFFFAOYSA-N 1 0 451.014 4.568 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001459668469 1067377573 /nfs/dbraw/zinc/37/75/73/1067377573.db2.gz HFUBJRNMRLICNO-NFBKMPQASA-N 1 0 451.659 4.793 20 0 JJADRO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459668494 1067377838 /nfs/dbraw/zinc/37/78/38/1067377838.db2.gz HIEAUNUXGBUZQT-SSPYTLHUSA-N 1 0 454.611 4.558 20 0 JJADRO CC(C)(C)OC(=O)NCCCCCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001459671303 1067378862 /nfs/dbraw/zinc/37/88/62/1067378862.db2.gz LUYHAUWZIPIUFJ-QFIPXVFZSA-N 1 0 459.631 4.890 20 0 JJADRO CC(C)(C)[C@H]([NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccc(F)cc1 ZINC001459677872 1067381240 /nfs/dbraw/zinc/38/12/40/1067381240.db2.gz QMYMSAHEWVRFFC-LEWJYISDSA-N 1 0 452.492 4.683 20 0 JJADRO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686306 1067383437 /nfs/dbraw/zinc/38/34/37/1067383437.db2.gz NJXPOHIPFDFFQH-FGZHOGPDSA-N 1 0 456.583 4.734 20 0 JJADRO Cc1ccc(CN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687408 1067383834 /nfs/dbraw/zinc/38/38/34/1067383834.db2.gz PUQMHQVPYDKXRA-DNQXCXABSA-N 1 0 455.643 4.740 20 0 JJADRO CCCCNC(=O)C1([NH2+]CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CCCCC1 ZINC001459702232 1067388430 /nfs/dbraw/zinc/38/84/30/1067388430.db2.gz LHRKNOVDQMVLAV-VWLOTQADSA-N 1 0 453.602 4.582 20 0 JJADRO Cc1nc(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001459706464 1067389301 /nfs/dbraw/zinc/38/93/01/1067389301.db2.gz KLIGJBRYAGJRIW-HSZRJFAPSA-N 1 0 458.393 4.525 20 0 JJADRO Cc1cc(NC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)n(-c2nc(C)cc(C)n2)n1 ZINC001459713835 1067392945 /nfs/dbraw/zinc/39/29/45/1067392945.db2.gz LTWGZJRZJOYVHZ-UHFFFAOYSA-N 1 0 452.990 4.629 20 0 JJADRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC001459715523 1067393276 /nfs/dbraw/zinc/39/32/76/1067393276.db2.gz IIEKZXAUXZGIHK-NLFFAJNJSA-N 1 0 452.595 4.861 20 0 JJADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716654 1067393847 /nfs/dbraw/zinc/39/38/47/1067393847.db2.gz UNRZQXLMZBHWBJ-YJBOKZPZSA-N 1 0 458.484 4.553 20 0 JJADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CC1)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC001459718776 1067394650 /nfs/dbraw/zinc/39/46/50/1067394650.db2.gz MZVZWBCTZLNOHJ-UHFFFAOYSA-N 1 0 456.315 4.993 20 0 JJADRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)N(Cc1ccccc1)c1nc2c(cccc2C)s1 ZINC001459718147 1067394779 /nfs/dbraw/zinc/39/47/79/1067394779.db2.gz RCGIQPZXUKYEEA-UHFFFAOYSA-N 1 0 453.608 4.849 20 0 JJADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001459724005 1067396345 /nfs/dbraw/zinc/39/63/45/1067396345.db2.gz XRWQLENIPFSFKB-OJLQRUNKSA-N 1 0 453.574 4.547 20 0 JJADRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001459740680 1067401522 /nfs/dbraw/zinc/40/15/22/1067401522.db2.gz JWNUMCQGQGPZIS-SFHVURJKSA-N 1 0 458.883 4.752 20 0 JJADRO C[C@@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4cccc(OC(F)(F)F)c4)nc(N)c23)C1 ZINC001459755196 1067408470 /nfs/dbraw/zinc/40/84/70/1067408470.db2.gz JGPCXKRDRGVFKI-CYBMUJFWSA-N 1 0 450.530 4.971 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c2ccccc2)cc1 ZINC001459762265 1067412486 /nfs/dbraw/zinc/41/24/86/1067412486.db2.gz HQSYMRAIZHBQOQ-LVXARBLLSA-N 1 0 452.620 4.673 20 0 JJADRO CCCCn1c(C[N@H+](CC(C)C)CC(C)(C)C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459768122 1067415017 /nfs/dbraw/zinc/41/50/17/1067415017.db2.gz IOVOPVNVRVVWIH-UHFFFAOYSA-N 1 0 453.631 4.651 20 0 JJADRO C[N@@H+](Cc1ccccc1)C[C@H](CN1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1 ZINC001459783211 1067419922 /nfs/dbraw/zinc/41/99/22/1067419922.db2.gz CJPABLSKPWFAMC-MUUNZHRXSA-N 1 0 457.618 4.857 20 0 JJADRO CCCCc1ccc([C@@H]([NH2+]CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C(C)C)cc1 ZINC001459783666 1067420527 /nfs/dbraw/zinc/42/05/27/1067420527.db2.gz FALKWBSLEGBOTM-CUNXSJBXSA-N 1 0 455.687 4.813 20 0 JJADRO CCC[C@H]1CN(Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC001459786296 1067421604 /nfs/dbraw/zinc/42/16/04/1067421604.db2.gz PFWGPKKHKFXFNB-FQEVSTJZSA-N 1 0 454.640 4.613 20 0 JJADRO CCC[N@H+](CC(=O)N[C@@H](CC)c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459798070 1067427529 /nfs/dbraw/zinc/42/75/29/1067427529.db2.gz LADUQTDVGMLHLR-DEOSSOPVSA-N 1 0 456.030 4.924 20 0 JJADRO CCC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459800610 1067429592 /nfs/dbraw/zinc/42/95/92/1067429592.db2.gz NZUPLFGOYAWEOK-FQEVSTJZSA-N 1 0 456.030 4.876 20 0 JJADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459811000 1067433305 /nfs/dbraw/zinc/43/33/05/1067433305.db2.gz UFHFXAJYACARCO-REWPJTCUSA-N 1 0 454.014 4.759 20 0 JJADRO Cc1ccc(N(C)[C@@H]2CCC[N@H+](CC(=O)NCc3ccccc3COc3ccccc3)C2)cc1 ZINC001459816047 1067436047 /nfs/dbraw/zinc/43/60/47/1067436047.db2.gz FCVSUGFFCNAMFL-HHHXNRCGSA-N 1 0 457.618 4.791 20 0 JJADRO CN(C(=O)CN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)c1nc2ccccc2s1 ZINC001459817299 1067436494 /nfs/dbraw/zinc/43/64/94/1067436494.db2.gz ZTMZNWXMMGUYOW-JOCHJYFZSA-N 1 0 458.578 4.743 20 0 JJADRO CCC1(CC)CCN(c2nnc(COc3cccc(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546112066 1067436552 /nfs/dbraw/zinc/43/65/52/1067436552.db2.gz BJVGWZKFUQHQER-GOTSBHOMSA-N 1 0 469.674 4.681 20 0 JJADRO CC(C)[C@@H]([NH2+]C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)c1cccc(C(F)(F)F)c1 ZINC001459827599 1067441724 /nfs/dbraw/zinc/44/17/24/1067441724.db2.gz PCTJXOXTOKLLDR-QZTJIDSGSA-N 1 0 456.505 4.545 20 0 JJADRO Cc1ccccc1C(=O)NC1CCN(C(=O)C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001459830930 1067443787 /nfs/dbraw/zinc/44/37/87/1067443787.db2.gz NEVKMJCNJKRYIJ-DEOSSOPVSA-N 1 0 453.602 4.622 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)[C@H](O)c2ccccc21 ZINC001459835260 1067445845 /nfs/dbraw/zinc/44/58/45/1067445845.db2.gz LCHULOQLVJESPS-QLBRKBSLSA-N 1 0 456.558 4.571 20 0 JJADRO CC(C)CC[C@@H]([NH2+]CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001459840849 1067448646 /nfs/dbraw/zinc/44/86/46/1067448646.db2.gz KKIQMRKMIZUARM-OAQYLSRUSA-N 1 0 452.039 4.876 20 0 JJADRO CC(C)(C)C[C@@H]([NH2+]C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)c1ccc(Cl)cc1 ZINC001459845628 1067451459 /nfs/dbraw/zinc/45/14/59/1067451459.db2.gz SQTDEUVQFOCMLM-RTBURBONSA-N 1 0 451.007 4.960 20 0 JJADRO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001459848170 1067453640 /nfs/dbraw/zinc/45/36/40/1067453640.db2.gz GIQICKHFZOWZFK-VWLOTQADSA-N 1 0 458.002 4.623 20 0 JJADRO O=C(CC[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC001459848831 1067454027 /nfs/dbraw/zinc/45/40/27/1067454027.db2.gz TYQBPSKNSIKERA-IBGZPJMESA-N 1 0 453.892 4.641 20 0 JJADRO C[C@@H]([NH2+]CCC1CN(C(=O)OC(C)(C)C)C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001459849648 1067454672 /nfs/dbraw/zinc/45/46/72/1067454672.db2.gz WSOSMRMMAMVRLB-GOSISDBHSA-N 1 0 455.574 4.915 20 0 JJADRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001459849754 1067455165 /nfs/dbraw/zinc/45/51/65/1067455165.db2.gz YLWYEZBXMXFSOX-IBGZPJMESA-N 1 0 454.567 4.522 20 0 JJADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Br)ccc1OCc1ccncc1 ZINC001459853990 1067458341 /nfs/dbraw/zinc/45/83/41/1067458341.db2.gz QLSMUSVUYGCTHL-IIBYNOLFSA-N 1 0 457.368 4.816 20 0 JJADRO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)c1ccc(Oc2cccnc2)cc1 ZINC001459856306 1067459275 /nfs/dbraw/zinc/45/92/75/1067459275.db2.gz HFKXYYDNPXMKOG-FQEVSTJZSA-N 1 0 455.562 4.790 20 0 JJADRO OC1(Cc2ccc(OC(F)(F)F)cc2)CC[NH+](CCc2ccccc2Br)CC1 ZINC001459864683 1067463052 /nfs/dbraw/zinc/46/30/52/1067463052.db2.gz JRJJBHUURHBMHK-UHFFFAOYSA-N 1 0 458.318 4.960 20 0 JJADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC001459866301 1067464103 /nfs/dbraw/zinc/46/41/03/1067464103.db2.gz XXLCLFIPKKESDL-OAQYLSRUSA-N 1 0 456.530 4.815 20 0 JJADRO Cc1ccc(CCC2CCN(C(=O)C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 ZINC001459866764 1067464158 /nfs/dbraw/zinc/46/41/58/1067464158.db2.gz RQDWSEBXCQAZDC-MUUNZHRXSA-N 1 0 450.623 4.924 20 0 JJADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 ZINC001459866918 1067464188 /nfs/dbraw/zinc/46/41/88/1067464188.db2.gz TZPABESAXUWSKD-SANMLTNESA-N 1 0 459.546 4.636 20 0 JJADRO CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1C ZINC001459867547 1067464768 /nfs/dbraw/zinc/46/47/68/1067464768.db2.gz JPPIPJZOVKEXLP-QFIPXVFZSA-N 1 0 452.526 4.712 20 0 JJADRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1 ZINC001459870234 1067466820 /nfs/dbraw/zinc/46/68/20/1067466820.db2.gz YIZSMTMPPDXSKA-HXUWFJFHSA-N 1 0 458.331 4.504 20 0 JJADRO O=C(C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1)NCCc1cnn(-c2ccccc2)c1 ZINC001459883650 1067472281 /nfs/dbraw/zinc/47/22/81/1067472281.db2.gz ZJYCFDRJXATPTJ-AREMUKBSSA-N 1 0 458.993 4.758 20 0 JJADRO CCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459898431 1067478629 /nfs/dbraw/zinc/47/86/29/1067478629.db2.gz DIAVNFPXMUOBJF-NRFANRHFSA-N 1 0 455.400 4.519 20 0 JJADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC001459903711 1067481816 /nfs/dbraw/zinc/48/18/16/1067481816.db2.gz LYBCJTPGZMWQKH-HIFRSBDPSA-N 1 0 454.983 4.796 20 0 JJADRO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1 ZINC001459905513 1067482444 /nfs/dbraw/zinc/48/24/44/1067482444.db2.gz RBJTXEFYVNJLSA-DZGCQCFKSA-N 1 0 456.999 4.809 20 0 JJADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459906652 1067483571 /nfs/dbraw/zinc/48/35/71/1067483571.db2.gz VWKVYQCVSFKDLE-VFNWGFHPSA-N 1 0 457.546 4.647 20 0 JJADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459909860 1067485079 /nfs/dbraw/zinc/48/50/79/1067485079.db2.gz ZFODAYAIGLMAAO-MJGOQNOKSA-N 1 0 452.599 4.646 20 0 JJADRO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001459911587 1067486863 /nfs/dbraw/zinc/48/68/63/1067486863.db2.gz XKQZYTHOTOGZAF-RBBKRZOGSA-N 1 0 457.546 4.803 20 0 JJADRO CN1CC[NH+](CC2(C)CCN(Cc3nc(-c4cccc(Cl)c4Cl)cs3)CC2)CC1 ZINC001459915255 1067488296 /nfs/dbraw/zinc/48/82/96/1067488296.db2.gz DXDNXYHHNVLWNC-UHFFFAOYSA-N 1 0 453.483 4.966 20 0 JJADRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001459915316 1067488305 /nfs/dbraw/zinc/48/83/05/1067488305.db2.gz RTMYJTYWQCBVEE-ZDUSSCGKSA-N 1 0 453.951 4.584 20 0 JJADRO COc1ccccc1C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C(C)C ZINC001459920871 1067491762 /nfs/dbraw/zinc/49/17/62/1067491762.db2.gz GZVFRYCXKASVGX-MJGOQNOKSA-N 1 0 456.808 4.708 20 0 JJADRO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC001459925244 1067494410 /nfs/dbraw/zinc/49/44/10/1067494410.db2.gz REEKDLYWNOYFAZ-ROUUACIJSA-N 1 0 450.988 4.731 20 0 JJADRO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC001459927002 1067494822 /nfs/dbraw/zinc/49/48/22/1067494822.db2.gz WUJRRVJMGPVCAQ-FUHWJXTLSA-N 1 0 450.988 4.731 20 0 JJADRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001459928273 1067495285 /nfs/dbraw/zinc/49/52/85/1067495285.db2.gz ZEWZERDDIINCGQ-JAXLGGSGSA-N 1 0 452.668 4.944 20 0 JJADRO COc1cc(Br)ccc1CCC[NH2+][C@H](CCO)c1ccccc1Br ZINC001459935773 1067498423 /nfs/dbraw/zinc/49/84/23/1067498423.db2.gz SFICFZMGGMAEMQ-GOSISDBHSA-N 1 0 457.206 4.866 20 0 JJADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001459937917 1067499691 /nfs/dbraw/zinc/49/96/91/1067499691.db2.gz DJJFAMXJXPAKDU-UHFFFAOYSA-N 1 0 454.415 4.821 20 0 JJADRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001459941078 1067500592 /nfs/dbraw/zinc/50/05/92/1067500592.db2.gz BMXOIMOWQLPHBY-UHFFFAOYSA-N 1 0 458.400 4.649 20 0 JJADRO CC(C)N1C(=O)C[C@@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459947646 1067502675 /nfs/dbraw/zinc/50/26/75/1067502675.db2.gz BDILCLLUZKMKIM-SBHAEUEKSA-N 1 0 458.883 4.872 20 0 JJADRO COc1cc(OC)c(NC(=O)CC[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)cc1Cl ZINC001459949029 1067503610 /nfs/dbraw/zinc/50/36/10/1067503610.db2.gz BYUJOZFJKCBBOK-GFCCVEGCSA-N 1 0 452.889 4.781 20 0 JJADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958662 1067507648 /nfs/dbraw/zinc/50/76/48/1067507648.db2.gz GWPSVIPISRTHDG-ROUUACIJSA-N 1 0 455.400 4.846 20 0 JJADRO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)C1=O ZINC001459961828 1067508852 /nfs/dbraw/zinc/50/88/52/1067508852.db2.gz LZOPUGLVYNDIDC-QGTPRVQTSA-N 1 0 452.498 4.585 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)C1 ZINC001459970366 1067510714 /nfs/dbraw/zinc/51/07/14/1067510714.db2.gz BIKLTGWIEDWDMO-LJQANCHMSA-N 1 0 457.775 4.571 20 0 JJADRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC001459971297 1067510757 /nfs/dbraw/zinc/51/07/57/1067510757.db2.gz QNEPDDUMPXAHFP-RTBURBONSA-N 1 0 458.628 4.520 20 0 JJADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCCc1ccccc1Br ZINC001459975293 1067512165 /nfs/dbraw/zinc/51/21/65/1067512165.db2.gz WYVZALMYVKMQPV-KRWDZBQOSA-N 1 0 451.430 4.615 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC001459976749 1067512611 /nfs/dbraw/zinc/51/26/11/1067512611.db2.gz NWNWWIOTIYRGHZ-ZJSXRUAMSA-N 1 0 470.455 4.646 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc2nccnc2c1Br ZINC001459978630 1067514052 /nfs/dbraw/zinc/51/40/52/1067514052.db2.gz BEYAIXGLGSWROQ-QZTJIDSGSA-N 1 0 453.384 4.879 20 0 JJADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC001459979414 1067514394 /nfs/dbraw/zinc/51/43/94/1067514394.db2.gz IFZQHMRCJKROLW-GOSISDBHSA-N 1 0 454.430 4.575 20 0 JJADRO O=C(C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001459981768 1067515276 /nfs/dbraw/zinc/51/52/76/1067515276.db2.gz BHZCTSHDDVCGSW-CNNODRBYSA-N 1 0 459.512 4.684 20 0 JJADRO C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459990762 1067517582 /nfs/dbraw/zinc/51/75/82/1067517582.db2.gz DIEGMIBKCVTCSY-XUSGNXJCSA-N 1 0 455.318 4.655 20 0 JJADRO C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459990736 1067517610 /nfs/dbraw/zinc/51/76/10/1067517610.db2.gz DIEGMIBKCVTCSY-GTJPDFRWSA-N 1 0 455.318 4.655 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)cc1 ZINC001459991892 1067517995 /nfs/dbraw/zinc/51/79/95/1067517995.db2.gz HZYCJUDSPAEZSV-DVECYGJZSA-N 1 0 458.562 4.754 20 0 JJADRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459998017 1067520182 /nfs/dbraw/zinc/52/01/82/1067520182.db2.gz WWHAKOZSYHCQSV-SQWLQELKSA-N 1 0 452.617 4.541 20 0 JJADRO CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccsc2)cc1 ZINC001459999390 1067521108 /nfs/dbraw/zinc/52/11/08/1067521108.db2.gz ZAAGPKNVDPNIPE-JOCHJYFZSA-N 1 0 457.640 4.801 20 0 JJADRO COc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)cc1OC ZINC001460002220 1067521975 /nfs/dbraw/zinc/52/19/75/1067521975.db2.gz MPDNWSMHORIVSA-HSZRJFAPSA-N 1 0 458.549 4.600 20 0 JJADRO Cc1cccc(OCCCNC(=O)C[NH+]2CCC(C)(c3ccc(Br)cc3)CC2)c1 ZINC001460005426 1067523527 /nfs/dbraw/zinc/52/35/27/1067523527.db2.gz VJGQLULOMBLVLV-UHFFFAOYSA-N 1 0 459.428 4.696 20 0 JJADRO COc1cc(-c2nc(CN3CC[C@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)cs2)ccc1O ZINC001460011463 1067526421 /nfs/dbraw/zinc/52/64/21/1067526421.db2.gz LBOYKCREAVSVAL-DEOSSOPVSA-N 1 0 459.612 4.747 20 0 JJADRO O=C(CC[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1)N1CCc2sccc2C1 ZINC001460016599 1067528843 /nfs/dbraw/zinc/52/88/43/1067528843.db2.gz KOQBQGQZXPIRDF-UHFFFAOYSA-N 1 0 456.505 4.882 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC001460022790 1067531978 /nfs/dbraw/zinc/53/19/78/1067531978.db2.gz WXHMHUGLGZHIIK-UYAOXDASSA-N 1 0 473.589 4.877 20 0 JJADRO C[C@H]1CCc2c(sc3nc(C[NH2+][C@@H]4CCN(C(=O)OC(C)(C)C)CC4(C)C)nc(N)c32)C1 ZINC001460024531 1067532213 /nfs/dbraw/zinc/53/22/13/1067532213.db2.gz XAMLXLBOBVSQLO-WMLDXEAASA-N 1 0 459.660 4.524 20 0 JJADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC001460028491 1067533499 /nfs/dbraw/zinc/53/34/99/1067533499.db2.gz JDZGKLGMVDXOTB-KRWDZBQOSA-N 1 0 459.892 4.582 20 0 JJADRO Cc1cc(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)c(C)cc1I ZINC001460028910 1067533515 /nfs/dbraw/zinc/53/35/15/1067533515.db2.gz MIBWKWXZHADJPP-IBGZPJMESA-N 1 0 453.364 4.558 20 0 JJADRO COc1ccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c(Br)c1OC ZINC001460033241 1067534991 /nfs/dbraw/zinc/53/49/91/1067534991.db2.gz XISDYIJXFNVNCT-INIZCTEOSA-N 1 0 457.409 4.639 20 0 JJADRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039522 1067536552 /nfs/dbraw/zinc/53/65/52/1067536552.db2.gz LKZBYZCQXZOWOY-MNAPGUCWSA-N 1 0 455.624 4.591 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001460063171 1067542901 /nfs/dbraw/zinc/54/29/01/1067542901.db2.gz SGHWDYRFGBENJU-FHAGJXEFSA-N 1 0 451.611 4.840 20 0 JJADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001460063173 1067542918 /nfs/dbraw/zinc/54/29/18/1067542918.db2.gz SGHWDYRFGBENJU-OHUGHZGNSA-N 1 0 451.611 4.840 20 0 JJADRO C[C@H]([NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001460063323 1067543331 /nfs/dbraw/zinc/54/33/31/1067543331.db2.gz TWMJGWYYVASQFQ-PYJXJXBRSA-N 1 0 457.659 4.755 20 0 JJADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(Oc3cccnc3)cc2)nc2nc(C(F)(F)F)nn21 ZINC001460073313 1067546399 /nfs/dbraw/zinc/54/63/99/1067546399.db2.gz YMRIRSWUSCFNEF-AWEZNQCLSA-N 1 0 458.444 4.580 20 0 JJADRO O=C(CN1CCC([C@H](F)c2ccccc2F)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460079611 1067548476 /nfs/dbraw/zinc/54/84/76/1067548476.db2.gz DMMKMXQHAUQNME-VWLOTQADSA-N 1 0 459.606 4.736 20 0 JJADRO O=C(CN1CCC([C@@H](F)c2ccccc2F)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460079602 1067548526 /nfs/dbraw/zinc/54/85/26/1067548526.db2.gz DMMKMXQHAUQNME-RUZDIDTESA-N 1 0 459.606 4.736 20 0 JJADRO COc1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)c(Cl)c1 ZINC001460092701 1067552555 /nfs/dbraw/zinc/55/25/55/1067552555.db2.gz JEMDSPWTHQNVQR-ZDUSSCGKSA-N 1 0 452.780 4.504 20 0 JJADRO COc1ccc(N=c2scc(C[N@@H+]3CCCCC[C@@H]3CCO)n2Cc2ccccc2)cc1 ZINC001460093029 1067552754 /nfs/dbraw/zinc/55/27/54/1067552754.db2.gz HMZDJLBQXPCWJO-HSZRJFAPSA-N 1 0 451.636 4.966 20 0 JJADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(F)c2cccnc12 ZINC001460097499 1067554511 /nfs/dbraw/zinc/55/45/11/1067554511.db2.gz VQQFMZJKDPGSSD-CQSZACIVSA-N 1 0 457.347 4.529 20 0 JJADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001460104122 1067555931 /nfs/dbraw/zinc/55/59/31/1067555931.db2.gz GSXGDGGTAYPYOA-NRFANRHFSA-N 1 0 451.558 4.651 20 0 JJADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001460104126 1067555944 /nfs/dbraw/zinc/55/59/44/1067555944.db2.gz GSXGDGGTAYPYOA-OAQYLSRUSA-N 1 0 451.558 4.651 20 0 JJADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110541 1067556853 /nfs/dbraw/zinc/55/68/53/1067556853.db2.gz PLWRPNAPQJRLTD-IPMKNSEASA-N 1 0 450.023 4.944 20 0 JJADRO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC001460114410 1067558279 /nfs/dbraw/zinc/55/82/79/1067558279.db2.gz ZKCYAUIXYHXOEW-QFIPXVFZSA-N 1 0 454.958 4.628 20 0 JJADRO O=C1[C@H]([N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137612 1067562832 /nfs/dbraw/zinc/56/28/32/1067562832.db2.gz HISSHWMGDKCUMY-FOIQADDNSA-N 1 0 451.767 4.912 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)C2)C1 ZINC001460146577 1067564497 /nfs/dbraw/zinc/56/44/97/1067564497.db2.gz YTPGHDVXYJDYKO-KKLQWCBXSA-N 1 0 453.048 4.923 20 0 JJADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001460150584 1067565623 /nfs/dbraw/zinc/56/56/23/1067565623.db2.gz INIWUZWJPIEPPG-URXFXBBRSA-N 1 0 456.355 4.976 20 0 JJADRO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157896 1067566719 /nfs/dbraw/zinc/56/67/19/1067566719.db2.gz NLGVZFCKYRAHPP-MOPGFXCFSA-N 1 0 450.023 4.946 20 0 JJADRO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157902 1067566809 /nfs/dbraw/zinc/56/68/09/1067566809.db2.gz NLGVZFCKYRAHPP-RBUKOAKNSA-N 1 0 450.023 4.946 20 0 JJADRO COC(=O)c1cccc(C[NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1Cl ZINC001460160615 1067567543 /nfs/dbraw/zinc/56/75/43/1067567543.db2.gz HSTICBCBQZOXAJ-NFBKMPQASA-N 1 0 455.913 4.807 20 0 JJADRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC001460167341 1067568243 /nfs/dbraw/zinc/56/82/43/1067568243.db2.gz SCPPPTNHYALERZ-JOCHJYFZSA-N 1 0 457.393 4.889 20 0 JJADRO CCc1cc2c(C[N@@H+]3CCCC[C@@H]3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1O ZINC001460170998 1067569692 /nfs/dbraw/zinc/56/96/92/1067569692.db2.gz ABQAWVZDGHZYRI-GHTZIAJQSA-N 1 0 456.583 4.673 20 0 JJADRO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c2ccccc2)cc1 ZINC001460174419 1067570700 /nfs/dbraw/zinc/57/07/00/1067570700.db2.gz IXSNOTVKVNNRIB-XMMPIXPASA-N 1 0 450.604 4.688 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1 ZINC001460177648 1067571898 /nfs/dbraw/zinc/57/18/98/1067571898.db2.gz IUKMIGXUEYNXJM-IGABQKFOSA-N 1 0 471.642 4.707 20 0 JJADRO CC(=O)N(c1nc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)cs1)c1cccc(C(F)(F)F)c1 ZINC001460181518 1067573055 /nfs/dbraw/zinc/57/30/55/1067573055.db2.gz MSPRSMFLWYADHT-OAHLLOKOSA-N 1 0 452.546 4.763 20 0 JJADRO COc1cc(NC(=O)CC[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(OC)cc1Cl ZINC001460189338 1067574982 /nfs/dbraw/zinc/57/49/82/1067574982.db2.gz XZKPDQOSZSWWSQ-LOSJGSFVSA-N 1 0 454.954 4.750 20 0 JJADRO CN1CC[C@H]([NH2+]CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001460192553 1067575593 /nfs/dbraw/zinc/57/55/93/1067575593.db2.gz NJERACJHWBQPMI-QNWVGRARSA-N 1 0 450.385 4.831 20 0 JJADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3ccc(Sc4cc(C)ccc4C)cc3)[C@@H]2C1 ZINC001460198172 1067576756 /nfs/dbraw/zinc/57/67/56/1067576756.db2.gz VTUAXFSBDGJKHC-ZTCOLXNVSA-N 1 0 451.636 4.630 20 0 JJADRO C[C@@](O)(C[NH+]1CCC(c2noc3cc(F)ccc32)CC1)c1ccc(Br)cc1F ZINC001460197586 1067576882 /nfs/dbraw/zinc/57/68/82/1067576882.db2.gz NTJHYRKANCJXHI-OAQYLSRUSA-N 1 0 451.311 4.956 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC001460209185 1067579761 /nfs/dbraw/zinc/57/97/61/1067579761.db2.gz RRJHOCIMNCITAV-HXUWFJFHSA-N 1 0 456.549 4.722 20 0 JJADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@@H](C)Oc3ccc(C(C)C)c(C)c3)CC2)cc1 ZINC001460210280 1067580046 /nfs/dbraw/zinc/58/00/46/1067580046.db2.gz AGOIOSKEPMLDRH-HXUWFJFHSA-N 1 0 451.611 4.625 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001460215881 1067581426 /nfs/dbraw/zinc/58/14/26/1067581426.db2.gz RKOGKNGTNCMZNI-UZLBHIALSA-N 1 0 453.986 4.919 20 0 JJADRO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)NCc1ccc(Cl)cc1 ZINC001460222039 1067583008 /nfs/dbraw/zinc/58/30/08/1067583008.db2.gz PPHJCDRXBIKYMW-RRWZXMNXSA-N 1 0 466.000 4.742 20 0 JJADRO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cc1 ZINC001460224367 1067583555 /nfs/dbraw/zinc/58/35/55/1067583555.db2.gz AJESOZFZINWATK-CCDWMCETSA-N 1 0 463.622 4.945 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[NH+]2CCSCC2)CCS1 ZINC001546114986 1067586824 /nfs/dbraw/zinc/58/68/24/1067586824.db2.gz NEWCOOHJLIFVES-UHFFFAOYSA-N 1 0 496.146 4.768 20 0 JJADRO COc1ccc([C@H](O)C[N@H+](CC(=O)Nc2cccc(Cl)c2)[C@H](C)Cc2ccccc2)cc1 ZINC001460238416 1067587823 /nfs/dbraw/zinc/58/78/23/1067587823.db2.gz DGZVLDSVZACTKP-KBMIEXCESA-N 1 0 452.982 4.954 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[NH2+][C@H](c3ccccc3)C3(CO)CCCCC3)C2)C1 ZINC001460248502 1067591076 /nfs/dbraw/zinc/59/10/76/1067591076.db2.gz QSBPCZJKHYZYLT-JQYIIUTOSA-N 1 0 458.643 4.676 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+](C)C2CCCC2)CCS1 ZINC001546115134 1067593275 /nfs/dbraw/zinc/59/32/75/1067593275.db2.gz TXUKQAURWOAACW-UHFFFAOYSA-N 1 0 457.688 4.940 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOCC[NH+](C)C)CCS1 ZINC001546115154 1067593843 /nfs/dbraw/zinc/59/38/43/1067593843.db2.gz UTYOKXHENYBFAF-IBGZPJMESA-N 1 0 491.771 4.822 20 0 JJADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC001460273048 1067595240 /nfs/dbraw/zinc/59/52/40/1067595240.db2.gz AFQREFRYMWLCSF-YQVWRLOYSA-N 1 0 473.194 4.678 20 0 JJADRO C[C@@H]1CC2(C[N@@H+]1Cc1cccc(C(=O)N3CCCCC3)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279086 1067596662 /nfs/dbraw/zinc/59/66/62/1067596662.db2.gz XZVGLRDQLUQNGZ-OAQYLSRUSA-N 1 0 455.643 4.924 20 0 JJADRO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCCC[C@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278982 1067596720 /nfs/dbraw/zinc/59/67/20/1067596720.db2.gz NPCNRKUDFABIER-IRXDYDNUSA-N 1 0 458.672 4.917 20 0 JJADRO O=C(C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1)NCc1ccc(F)cc1 ZINC001460302270 1067602271 /nfs/dbraw/zinc/60/22/71/1067602271.db2.gz PIRVXPIQWOHYLL-QHCPKHFHSA-N 1 0 459.565 4.997 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC001460317091 1067606324 /nfs/dbraw/zinc/60/63/24/1067606324.db2.gz JIPJYCDCNULWTC-QFUCXCTJSA-N 1 0 456.986 4.785 20 0 JJADRO Cc1cc(C)n(-c2ccc(C(=O)N3CC[N@@H+](CCCc4ccccc4)C[C@H]3CC(C)C)cn2)n1 ZINC001460322465 1067608024 /nfs/dbraw/zinc/60/80/24/1067608024.db2.gz BOGKVIBJVUWPNE-AREMUKBSSA-N 1 0 459.638 4.689 20 0 JJADRO C[N@H+](CC1CN(S(C)(=O)=O)C1)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001460330583 1067609886 /nfs/dbraw/zinc/60/98/86/1067609886.db2.gz XSNDOBZYQHGWJP-JTSKRJEESA-N 1 0 453.435 4.783 20 0 JJADRO C[C@@H]1C[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCc2ccc(Cl)cc21 ZINC001460338406 1067611463 /nfs/dbraw/zinc/61/14/63/1067611463.db2.gz MJGBWKGMXFFUNG-DKLXNKCPSA-N 1 0 459.030 4.799 20 0 JJADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCc4ccccc4[C@@H](C)C3)cc2)cc1 ZINC001460345820 1067613291 /nfs/dbraw/zinc/61/32/91/1067613291.db2.gz WXMWURLTYVEKRW-FQEVSTJZSA-N 1 0 457.574 4.938 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC001460366871 1067619359 /nfs/dbraw/zinc/61/93/59/1067619359.db2.gz MPAJIZHOILJCKR-HQRMLTQVSA-N 1 0 456.599 4.841 20 0 JJADRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC001460391147 1067624931 /nfs/dbraw/zinc/62/49/31/1067624931.db2.gz OLVKAXTWIUFJIM-VJBWXMMDSA-N 1 0 468.594 4.608 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC001460393767 1067625713 /nfs/dbraw/zinc/62/57/13/1067625713.db2.gz XAYXTXLITRJAKI-YTFSRNRJSA-N 1 0 462.993 4.765 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]CCCOc2ccc3c(c2)OCO3)C1 ZINC001460393647 1067625775 /nfs/dbraw/zinc/62/57/75/1067625775.db2.gz WHZHGNNIIOXOHV-FGZHOGPDSA-N 1 0 472.557 4.706 20 0 JJADRO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC001460406273 1067628778 /nfs/dbraw/zinc/62/87/78/1067628778.db2.gz CVRNCXKWHSQWOB-NQIIRXRSSA-N 1 0 451.449 4.910 20 0 JJADRO CN(C)C(=O)c1ccc(OC2CC[NH+](CCCCc3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC001460410559 1067629865 /nfs/dbraw/zinc/62/98/65/1067629865.db2.gz OTYTVIGSLLZDQQ-UHFFFAOYSA-N 1 0 450.410 4.956 20 0 JJADRO COc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC001460411864 1067630299 /nfs/dbraw/zinc/63/02/99/1067630299.db2.gz SGNWZEVXGSPDFS-IBGZPJMESA-N 1 0 456.587 4.604 20 0 JJADRO C[C@]12CC[N@H+](CCC(=O)Nc3cccc4ccccc43)C[C@H]1C2(Br)Br ZINC001460414948 1067631237 /nfs/dbraw/zinc/63/12/37/1067631237.db2.gz GUSWCXHMFGFLMV-MJGOQNOKSA-N 1 0 466.217 4.996 20 0 JJADRO O=C(C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460416092 1067631262 /nfs/dbraw/zinc/63/12/62/1067631262.db2.gz PEBRDCKRVWFYGX-JTDSTZFVSA-N 1 0 461.425 4.632 20 0 JJADRO CC(C)[C@@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001460428474 1067633215 /nfs/dbraw/zinc/63/32/15/1067633215.db2.gz GXSWQJKCNABOQR-GOTSBHOMSA-N 1 0 456.428 4.545 20 0 JJADRO CCC1(CC)CN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CCS1 ZINC001546116452 1067639500 /nfs/dbraw/zinc/63/95/00/1067639500.db2.gz VODVVSZVUKRHCN-HSZRJFAPSA-N 1 0 480.682 4.764 20 0 JJADRO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](Cc2ccccc2)[C@H](C)Cc2ccccc2)c(C)c1 ZINC001460478576 1067641674 /nfs/dbraw/zinc/64/16/74/1067641674.db2.gz MFWNNWQLJLCUOU-XMMPIXPASA-N 1 0 457.618 4.800 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001460477968 1067641728 /nfs/dbraw/zinc/64/17/28/1067641728.db2.gz PWGCYXNDWCSSPG-DHIUTWEWSA-N 1 0 471.573 4.531 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1cnc(SC2CCCC2)nc1 ZINC001460481296 1067642796 /nfs/dbraw/zinc/64/27/96/1067642796.db2.gz VASXIZTZZLBOKR-ISKFKSNPSA-N 1 0 452.668 4.718 20 0 JJADRO COc1ccc(N=c2scc(C[N@@H+]3CC[C@H](C)[C@@H](CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001460501923 1067645677 /nfs/dbraw/zinc/64/56/77/1067645677.db2.gz FCOXTJAQTFUPRP-TUNNFDKTSA-N 1 0 451.636 4.850 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512668 1067647199 /nfs/dbraw/zinc/64/71/99/1067647199.db2.gz VOJIZTAJIHLXBH-IBGZPJMESA-N 1 0 452.824 4.991 20 0 JJADRO CC(C)([NH2+]CCOc1c(Br)cccc1Br)C(=O)Nc1ccccc1 ZINC001460534399 1067652698 /nfs/dbraw/zinc/65/26/98/1067652698.db2.gz KFZIUWWHTKGAJN-UHFFFAOYSA-N 1 0 456.178 4.597 20 0 JJADRO CO[C@H](C[NH+]1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 ZINC001460569209 1067657633 /nfs/dbraw/zinc/65/76/33/1067657633.db2.gz RLDDTOGOIJZKIJ-FGZHOGPDSA-N 1 0 453.023 4.766 20 0 JJADRO C[N@H+](CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCCC[C@H]1O ZINC001460582863 1067661801 /nfs/dbraw/zinc/66/18/01/1067661801.db2.gz WCYKWNHHGIVHMX-DHIUTWEWSA-N 1 0 453.583 4.718 20 0 JJADRO CCOC(=O)C1=C(C[NH2+][C@](C)(CC)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460600655 1067667070 /nfs/dbraw/zinc/66/70/70/1067667070.db2.gz FUWYTBJGFLCVKY-ZJSXRUAMSA-N 1 0 459.949 4.565 20 0 JJADRO Cc1cc(I)cc(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c1C ZINC001460619273 1067674647 /nfs/dbraw/zinc/67/46/47/1067674647.db2.gz OLYZMCZJRGBPOQ-UHFFFAOYSA-N 1 0 454.396 4.779 20 0 JJADRO CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CC[N@@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC001460636944 1067681026 /nfs/dbraw/zinc/68/10/26/1067681026.db2.gz LBBIHSRPJSXJRZ-WMZHIEFXSA-N 1 0 459.556 4.916 20 0 JJADRO Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654876 1067689407 /nfs/dbraw/zinc/68/94/07/1067689407.db2.gz GYKMFBWMVDVSQL-SJORKVTESA-N 1 0 455.546 4.979 20 0 JJADRO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC001460655986 1067689847 /nfs/dbraw/zinc/68/98/47/1067689847.db2.gz VHVCGPNNHGWXFW-DYESRHJHSA-N 1 0 458.318 4.703 20 0 JJADRO O=C(C[NH+]1CCC(Cc2ccc(Cl)cc2)CC1)NCCOc1cccc(C(F)(F)F)c1 ZINC001460657229 1067690369 /nfs/dbraw/zinc/69/03/69/1067690369.db2.gz VODPILYUQVFQOS-UHFFFAOYSA-N 1 0 454.920 4.809 20 0 JJADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2cncc(C)c2)cc1 ZINC001460657878 1067690767 /nfs/dbraw/zinc/69/07/67/1067690767.db2.gz AXDLDDQFFKVROH-DEOSSOPVSA-N 1 0 458.562 4.817 20 0 JJADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001460670541 1067694613 /nfs/dbraw/zinc/69/46/13/1067694613.db2.gz MFQWNNPXPBICOK-JYFHCDHNSA-N 1 0 459.638 4.803 20 0 JJADRO CC(C)(C)OC(=O)NCc1cccc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001460682454 1067700269 /nfs/dbraw/zinc/70/02/69/1067700269.db2.gz XIYXNEDBVGORQQ-HSZRJFAPSA-N 1 0 451.611 4.743 20 0 JJADRO Cc1cc(C(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c(C(F)(F)F)o1 ZINC001460710058 1067706200 /nfs/dbraw/zinc/70/62/00/1067706200.db2.gz QXWUHUBPURGZSO-UHFFFAOYSA-N 1 0 455.908 4.687 20 0 JJADRO CC[C@H](Oc1ccccc1C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460710754 1067706393 /nfs/dbraw/zinc/70/63/93/1067706393.db2.gz SMMDZUOOACRSLY-DEOSSOPVSA-N 1 0 456.030 4.619 20 0 JJADRO CCOC(=O)c1sc([C@@H]2CC[N@H+](CC3(COc4cccc(COC)c4)CCC3)C2)nc1C ZINC001460717461 1067708219 /nfs/dbraw/zinc/70/82/19/1067708219.db2.gz KOBFEHIVDLKFMN-HXUWFJFHSA-N 1 0 458.624 4.813 20 0 JJADRO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001460716439 1067708237 /nfs/dbraw/zinc/70/82/37/1067708237.db2.gz GALSHBILOOJWPM-GOSISDBHSA-N 1 0 456.455 4.790 20 0 JJADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN[C@@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001460750282 1067715412 /nfs/dbraw/zinc/71/54/12/1067715412.db2.gz WJVWAUZCAZGDPM-KRWDZBQOSA-N 1 0 452.401 4.826 20 0 JJADRO COc1ccc(COCCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460761089 1067718522 /nfs/dbraw/zinc/71/85/22/1067718522.db2.gz HGQLNZJCKWWBII-RRPNLBNLSA-N 1 0 462.565 4.525 20 0 JJADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC2(O)CCCCC2)c(C(F)(F)F)c1 ZINC001460762000 1067718986 /nfs/dbraw/zinc/71/89/86/1067718986.db2.gz PYNKPGCKAFIYGI-GOSISDBHSA-N 1 0 455.521 4.542 20 0 JJADRO CCOC(=O)Nc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460763800 1067719436 /nfs/dbraw/zinc/71/94/36/1067719436.db2.gz LYFLQIODTNOSBN-LOSJGSFVSA-N 1 0 461.537 4.792 20 0 JJADRO C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778768 1067721655 /nfs/dbraw/zinc/72/16/55/1067721655.db2.gz PIFJLGYSXBIXRR-MZNJEOGPSA-N 1 0 458.628 4.736 20 0 JJADRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(Cc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001460776602 1067721737 /nfs/dbraw/zinc/72/17/37/1067721737.db2.gz YCXZDWILYZFSBA-LRAJWGHMSA-N 1 0 476.923 4.637 20 0 JJADRO COC(=O)[C@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001460779604 1067722065 /nfs/dbraw/zinc/72/20/65/1067722065.db2.gz ITCUBSBEJXBQQP-GUDVDZBRSA-N 1 0 460.418 4.572 20 0 JJADRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](CCCN(C(=O)OC(C)(C)C)C4CC4)CC3)c2c1 ZINC001460814216 1067728613 /nfs/dbraw/zinc/72/86/13/1067728613.db2.gz QNEKIBXWHLJTTG-UHFFFAOYSA-N 1 0 455.599 4.924 20 0 JJADRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](C[C@H]4CCCN(C(=O)OC(C)(C)C)C4)CC3)c2c1 ZINC001460816744 1067728977 /nfs/dbraw/zinc/72/89/77/1067728977.db2.gz VLNJWFFEUHXAOB-GOSISDBHSA-N 1 0 455.599 4.781 20 0 JJADRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](C[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)CC3)c2c1 ZINC001460816746 1067729055 /nfs/dbraw/zinc/72/90/55/1067729055.db2.gz VLNJWFFEUHXAOB-SFHVURJKSA-N 1 0 455.599 4.781 20 0 JJADRO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)CCO2 ZINC001460841384 1067732837 /nfs/dbraw/zinc/73/28/37/1067732837.db2.gz IOKHNUSBIGGRDQ-UHFFFAOYSA-N 1 0 458.521 4.666 20 0 JJADRO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCS1 ZINC001546119446 1067732966 /nfs/dbraw/zinc/73/29/66/1067732966.db2.gz CWAFTUICZINYJS-CJFMBICVSA-N 1 0 487.762 4.762 20 0 JJADRO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](C[C@H](O)c1cccc(F)c1)Cc1ccccc1O2 ZINC001460844092 1067733626 /nfs/dbraw/zinc/73/36/26/1067733626.db2.gz PJDQMCAOCCKIKJ-QFIPXVFZSA-N 1 0 456.558 4.523 20 0 JJADRO COC(=O)c1csc(C[N@@H+]2CCC[C@@]2(C)Cc2ccc(I)cc2)c1 ZINC001460869522 1067738735 /nfs/dbraw/zinc/73/87/35/1067738735.db2.gz IINFYKNREQNHOC-IBGZPJMESA-N 1 0 455.361 4.737 20 0 JJADRO CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc(F)cc1 ZINC001460882524 1067741753 /nfs/dbraw/zinc/74/17/53/1067741753.db2.gz GLUONIZCMSGCEU-KCZVDYSFSA-N 1 0 461.622 4.608 20 0 JJADRO C[C@@](CO)(c1ccc(Br)cc1)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001460897754 1067745551 /nfs/dbraw/zinc/74/55/51/1067745551.db2.gz ZGZDWJVHHXXCOR-JOCHJYFZSA-N 1 0 451.836 4.560 20 0 JJADRO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C1 ZINC001460910714 1067746623 /nfs/dbraw/zinc/74/66/23/1067746623.db2.gz ZIAAKITXJRJITF-YOSAUDMPSA-N 1 0 459.590 4.765 20 0 JJADRO O=C(C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920735 1067748339 /nfs/dbraw/zinc/74/83/39/1067748339.db2.gz DPNORINQFDCSNS-RBUKOAKNSA-N 1 0 455.986 4.669 20 0 JJADRO O=C(C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920734 1067748513 /nfs/dbraw/zinc/74/85/13/1067748513.db2.gz DPNORINQFDCSNS-OALUTQOASA-N 1 0 455.986 4.669 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001460948333 1067752320 /nfs/dbraw/zinc/75/23/20/1067752320.db2.gz NFUARTIUZCWJPO-NLFFAJNJSA-N 1 0 451.652 4.889 20 0 JJADRO CC(C)(C)OC(=O)NC[C@]12C[N@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@@H]1CCCC2 ZINC001460970055 1067754598 /nfs/dbraw/zinc/75/45/98/1067754598.db2.gz GOKZMVCGFOAKRL-OYHNWAKOSA-N 1 0 456.414 4.949 20 0 JJADRO CCOc1ccc(NC(=O)CC[NH+]2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001460977580 1067755703 /nfs/dbraw/zinc/75/57/03/1067755703.db2.gz JMOQLJTYMOLTON-FQEVSTJZSA-N 1 0 459.631 4.821 20 0 JJADRO COC(=O)C=Cc1ccc(OCC[N@@H+]2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)cc1 ZINC001460983366 1067756703 /nfs/dbraw/zinc/75/67/03/1067756703.db2.gz ZPLAPEZUOCRICF-RAXLEYEMSA-N 1 0 452.551 4.657 20 0 JJADRO Cc1ccc([C@H](NC(=O)C[NH2+][C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)C2CC2)cc1 ZINC001460985066 1067757638 /nfs/dbraw/zinc/75/76/38/1067757638.db2.gz ZVJMYAADNHGPMP-ONTLXTELSA-N 1 0 455.643 4.576 20 0 JJADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC001460995499 1067759744 /nfs/dbraw/zinc/75/97/44/1067759744.db2.gz QFOOGCCTYHBRHE-DEOSSOPVSA-N 1 0 456.993 4.504 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC001461018260 1067762985 /nfs/dbraw/zinc/76/29/85/1067762985.db2.gz AXSMTYAWHDRWGE-UHFFFAOYSA-N 1 0 453.428 4.740 20 0 JJADRO CCC(CC)[C@H](C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)N1CCOCC1 ZINC001461030450 1067765538 /nfs/dbraw/zinc/76/55/38/1067765538.db2.gz ICUUKLQBKZDGSE-FQEVSTJZSA-N 1 0 452.462 4.799 20 0 JJADRO FC(F)(F)c1cccc(N2CCN(CCC[NH2+]Cc3cc(Cl)cc4c3OCC4)CC2)c1 ZINC001461037375 1067767303 /nfs/dbraw/zinc/76/73/03/1067767303.db2.gz RVIQGCHARWJBDX-UHFFFAOYSA-N 1 0 453.936 4.596 20 0 JJADRO CN(C(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)C(C)(C)C[NH+]1CCCC1 ZINC001461038442 1067767390 /nfs/dbraw/zinc/76/73/90/1067767390.db2.gz DLLMIKBVFGGIKC-UHFFFAOYSA-N 1 0 456.631 4.503 20 0 JJADRO COc1ccc(C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)cc1OC(F)F ZINC001461040381 1067767887 /nfs/dbraw/zinc/76/78/87/1067767887.db2.gz VKXHJABSQRCPEB-UHFFFAOYSA-N 1 0 452.299 4.843 20 0 JJADRO O=C(Nc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)c1)c1ccco1 ZINC001461040831 1067767915 /nfs/dbraw/zinc/76/79/15/1067767915.db2.gz SJSBXHKLIRFGNV-UHFFFAOYSA-N 1 0 451.324 4.974 20 0 JJADRO CCOc1cc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c(F)cc1OC ZINC001461053032 1067770636 /nfs/dbraw/zinc/77/06/36/1067770636.db2.gz YHPRMHLZQXEJPL-MGPUTAFESA-N 1 0 454.945 4.577 20 0 JJADRO CCOc1cc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c(F)cc1OC ZINC001461053030 1067770796 /nfs/dbraw/zinc/77/07/96/1067770796.db2.gz YHPRMHLZQXEJPL-FOIQADDNSA-N 1 0 454.945 4.577 20 0 JJADRO COc1cc(C[NH2+][C@@H](C)CN2CCOCC2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461053712 1067770952 /nfs/dbraw/zinc/77/09/52/1067770952.db2.gz NWMJHOVZRHUFDL-QFIPXVFZSA-N 1 0 454.655 4.999 20 0 JJADRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001461054187 1067771143 /nfs/dbraw/zinc/77/11/43/1067771143.db2.gz DGKDSHSCJRZAGB-KRWDZBQOSA-N 1 0 457.640 4.859 20 0 JJADRO CCC1(CC)CN(c2nnc([C@H]3CCCO3)n2CCC[N@H+](C)Cc2ccccc2)CCS1 ZINC001546121390 1067776480 /nfs/dbraw/zinc/77/64/80/1067776480.db2.gz WDLKBACUQVHCIW-JOCHJYFZSA-N 1 0 457.688 4.764 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC001461101663 1067782328 /nfs/dbraw/zinc/78/23/28/1067782328.db2.gz SVGIUTWGQGHEJL-UHFFFAOYSA-N 1 0 453.384 4.750 20 0 JJADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC001461123083 1067785798 /nfs/dbraw/zinc/78/57/98/1067785798.db2.gz YQIBLURSCQCFDS-CQSZACIVSA-N 1 0 455.739 4.926 20 0 JJADRO CCCC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461124274 1067786004 /nfs/dbraw/zinc/78/60/04/1067786004.db2.gz RUFGILJLCJSNCR-QFIPXVFZSA-N 1 0 458.002 4.999 20 0 JJADRO CC(C)(C)OC(=O)NCCc1ccc(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)cc1 ZINC001461127800 1067786622 /nfs/dbraw/zinc/78/66/22/1067786622.db2.gz FCBKWWOOINYTBX-UHFFFAOYSA-N 1 0 456.587 4.786 20 0 JJADRO O=C(NCCC[NH2+]Cc1cccc(OCc2ccccc2)c1)c1cccc(Br)c1 ZINC001461129757 1067786970 /nfs/dbraw/zinc/78/69/70/1067786970.db2.gz KGECCLVTTBETOL-UHFFFAOYSA-N 1 0 453.380 4.938 20 0 JJADRO O=C(NCCC[NH2+]Cc1cnc(CCc2ccccc2)s1)c1cccc(Br)c1 ZINC001461131051 1067787037 /nfs/dbraw/zinc/78/70/37/1067787037.db2.gz PTMVJQBXFILOQA-UHFFFAOYSA-N 1 0 458.425 4.601 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC001461131330 1067787478 /nfs/dbraw/zinc/78/74/78/1067787478.db2.gz ULRZNSUSNLWEMA-ZDUSSCGKSA-N 1 0 455.422 4.637 20 0 JJADRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC001461143154 1067788329 /nfs/dbraw/zinc/78/83/29/1067788329.db2.gz ZUZJBIZURPWPET-SFHVURJKSA-N 1 0 455.400 4.568 20 0 JJADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(C)c(OCc3ccccc3C)c(C)c2)c1 ZINC001461148350 1067789525 /nfs/dbraw/zinc/78/95/25/1067789525.db2.gz JIDGBBOSXNKCFI-OAQYLSRUSA-N 1 0 452.620 4.950 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc4ccccc4c3)o2)C1 ZINC001461148666 1067789585 /nfs/dbraw/zinc/78/95/85/1067789585.db2.gz WYQQKQAEYRYBIN-LADGPHEKSA-N 1 0 450.579 4.814 20 0 JJADRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001461161066 1067791290 /nfs/dbraw/zinc/79/12/90/1067791290.db2.gz HZTLXIWXHLOEKS-OAHLLOKOSA-N 1 0 455.908 4.714 20 0 JJADRO Cc1ccc(OCc2nc(CN[C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cs2)cc1 ZINC001461173966 1067792648 /nfs/dbraw/zinc/79/26/48/1067792648.db2.gz YZPFGJBYYYQCNI-LJQANCHMSA-N 1 0 454.615 4.772 20 0 JJADRO CCc1cc(Oc2ccc(F)cc2C[NH2+]C2CCN(S(=O)(=O)CC)CC2)ccc1Cl ZINC001461177256 1067793067 /nfs/dbraw/zinc/79/30/67/1067793067.db2.gz IWFBYDRRZQXFTQ-UHFFFAOYSA-N 1 0 454.995 4.738 20 0 JJADRO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)n2c1 ZINC001461177538 1067793102 /nfs/dbraw/zinc/79/31/02/1067793102.db2.gz JZCYREOTTNSOTK-UHFFFAOYSA-N 1 0 457.958 4.666 20 0 JJADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461194841 1067797132 /nfs/dbraw/zinc/79/71/32/1067797132.db2.gz WIWRBIVNCDCZRM-PBZQEHOFSA-N 1 0 497.705 4.867 20 0 JJADRO COc1cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cc(C(F)(F)F)c1 ZINC001461196706 1067797604 /nfs/dbraw/zinc/79/76/04/1067797604.db2.gz ROHKIDXQYZAYTH-UHFFFAOYSA-N 1 0 459.306 4.615 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)C[C@H]2C1 ZINC001461201472 1067798252 /nfs/dbraw/zinc/79/82/52/1067798252.db2.gz GDTXESCKGZPHNB-QGZVKYPTSA-N 1 0 453.549 4.909 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)C[C@@H]2C1 ZINC001461201470 1067798289 /nfs/dbraw/zinc/79/82/89/1067798289.db2.gz GDTXESCKGZPHNB-KVPLUYHFSA-N 1 0 453.549 4.909 20 0 JJADRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CCCC1 ZINC001461204224 1067798521 /nfs/dbraw/zinc/79/85/21/1067798521.db2.gz MZBBVDRKKULFIB-UHFFFAOYSA-N 1 0 459.631 4.907 20 0 JJADRO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(C(C)(C)C)cc3)o2)C1 ZINC001461204585 1067799034 /nfs/dbraw/zinc/79/90/34/1067799034.db2.gz HQSLLXDTGGXLGO-REWPJTCUSA-N 1 0 456.627 4.958 20 0 JJADRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3cccc(-c4cccnc4)c3)c2)cc1 ZINC001461208981 1067799892 /nfs/dbraw/zinc/79/98/92/1067799892.db2.gz OIKAJTAWFXGEMO-UHFFFAOYSA-N 1 0 459.571 4.848 20 0 JJADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@](C)(O)c2ccccc2)cc1OC ZINC001461211878 1067800356 /nfs/dbraw/zinc/80/03/56/1067800356.db2.gz PAUXMHRSAGFATL-NDEPHWFRSA-N 1 0 457.574 4.613 20 0 JJADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC001461223366 1067803101 /nfs/dbraw/zinc/80/31/01/1067803101.db2.gz ANRVIPKYIPNHAZ-WMZOPIPTSA-N 1 0 455.407 4.691 20 0 JJADRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]Cc2ccc(Cl)c3cccnc23)c1 ZINC001461229684 1067804819 /nfs/dbraw/zinc/80/48/19/1067804819.db2.gz GZBQBRCDMWAXLA-UHFFFAOYSA-N 1 0 453.951 4.769 20 0 JJADRO CC(C)[C@H](O)C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC001461233774 1067805879 /nfs/dbraw/zinc/80/58/79/1067805879.db2.gz UYAAIUQNZVMGAX-GOSISDBHSA-N 1 0 457.206 4.897 20 0 JJADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC001461246222 1067808915 /nfs/dbraw/zinc/80/89/15/1067808915.db2.gz KKEOHVYQVQMGHY-UHFFFAOYSA-N 1 0 454.347 4.600 20 0 JJADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001461260775 1067812804 /nfs/dbraw/zinc/81/28/04/1067812804.db2.gz JGYXPMCRQDOBOZ-UWJYYQICSA-N 1 0 452.039 4.655 20 0 JJADRO CC(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)c1cccnc1 ZINC001461266838 1067814435 /nfs/dbraw/zinc/81/44/35/1067814435.db2.gz JVGYTRCYCNIOJR-OAQYLSRUSA-N 1 0 452.426 4.629 20 0 JJADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C2CCN(CCOC(C)C)CC2)cc1 ZINC001461275996 1067816267 /nfs/dbraw/zinc/81/62/67/1067816267.db2.gz PFHDRFPVBGYHFQ-UHFFFAOYSA-N 1 0 450.602 4.966 20 0 JJADRO CCc1cc(N2CCC([NH2+]Cc3c(Cl)n(-c4ccccc4)nc3C(C)(C)C)CC2)ncn1 ZINC001461277300 1067816550 /nfs/dbraw/zinc/81/65/50/1067816550.db2.gz VGLQFBNUWQRWBN-UHFFFAOYSA-N 1 0 453.034 4.934 20 0 JJADRO CCCCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1(C)C ZINC001461286791 1067818559 /nfs/dbraw/zinc/81/85/59/1067818559.db2.gz NZWAYJLFOSGABQ-SFTDATJTSA-N 1 0 451.449 4.936 20 0 JJADRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC001461286560 1067818568 /nfs/dbraw/zinc/81/85/68/1067818568.db2.gz UPRCOHCVHGYNCZ-OAHLLOKOSA-N 1 0 459.388 4.972 20 0 JJADRO CCCCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1(C)C ZINC001461286774 1067818618 /nfs/dbraw/zinc/81/86/18/1067818618.db2.gz NZWAYJLFOSGABQ-NHCUHLMSSA-N 1 0 451.449 4.936 20 0 JJADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001461288694 1067818869 /nfs/dbraw/zinc/81/88/69/1067818869.db2.gz KARUFVOBOAVQSE-GBXCKJPGSA-N 1 0 451.611 4.836 20 0 JJADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001461288697 1067818996 /nfs/dbraw/zinc/81/89/96/1067818996.db2.gz KARUFVOBOAVQSE-YKSBVNFPSA-N 1 0 451.611 4.836 20 0 JJADRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1ccc(F)cc1I ZINC001461300960 1067822731 /nfs/dbraw/zinc/82/27/31/1067822731.db2.gz OHRBNJKBEZSTHX-UHFFFAOYSA-N 1 0 456.368 4.900 20 0 JJADRO COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001461307730 1067824308 /nfs/dbraw/zinc/82/43/08/1067824308.db2.gz LTOXALKSPINLEN-ZDUSSCGKSA-N 1 0 451.823 4.732 20 0 JJADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001461325392 1067828474 /nfs/dbraw/zinc/82/84/74/1067828474.db2.gz KSAQFGYNFCKMBM-JUMFHWHPSA-N 1 0 464.650 4.951 20 0 JJADRO CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001461327301 1067829523 /nfs/dbraw/zinc/82/95/23/1067829523.db2.gz DUZPZKKMSIDFRY-CLJLJLNGSA-N 1 0 450.623 4.512 20 0 JJADRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)C1 ZINC001461339096 1067832849 /nfs/dbraw/zinc/83/28/49/1067832849.db2.gz BANKOODAOSUONZ-XMMPIXPASA-N 1 0 450.529 4.867 20 0 JJADRO CCOc1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc(Br)c1OCc1ccccc1 ZINC001461350298 1067836414 /nfs/dbraw/zinc/83/64/14/1067836414.db2.gz OZADIUMDHQNERG-LJQANCHMSA-N 1 0 456.384 4.797 20 0 JJADRO Cc1cc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc(C)c1OCc1ccccn1 ZINC001461357339 1067837346 /nfs/dbraw/zinc/83/73/46/1067837346.db2.gz IDTWCAXLSZHTKA-FQEVSTJZSA-N 1 0 453.945 4.965 20 0 JJADRO CCCN(CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C)C(=O)OC(C)(C)C ZINC001461411522 1067848976 /nfs/dbraw/zinc/84/89/76/1067848976.db2.gz YMVJOVUFPUODEZ-UHFFFAOYSA-N 1 0 451.409 4.680 20 0 JJADRO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C[C@@H]3CSCCN3Cc3ccccc3)cc12 ZINC001461432368 1067855073 /nfs/dbraw/zinc/85/50/73/1067855073.db2.gz HIXSTQOOAUJYJX-HXUWFJFHSA-N 1 0 458.075 4.855 20 0 JJADRO COC[C@@H](C)Oc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC001461434286 1067855526 /nfs/dbraw/zinc/85/55/26/1067855526.db2.gz LJHZVAPZLZWNBG-QGZVFWFLSA-N 1 0 450.501 4.514 20 0 JJADRO COc1ccc(Cn2cc(C[NH2+][C@H](Cc3cccc(Br)c3)CC3CC3)nn2)cc1 ZINC001461435675 1067855810 /nfs/dbraw/zinc/85/58/10/1067855810.db2.gz BQDYXJXQURBJRP-NRFANRHFSA-N 1 0 455.400 4.599 20 0 JJADRO CCOc1c(Br)cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1Br ZINC001461435147 1067855834 /nfs/dbraw/zinc/85/58/34/1067855834.db2.gz WHICQLJLNVPJPV-MRXNPFEDSA-N 1 0 457.206 4.612 20 0 JJADRO OC[C@H](C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)Cc1ccccc1Br ZINC001461435157 1067855872 /nfs/dbraw/zinc/85/58/72/1067855872.db2.gz VWZOMTQWODVIGL-IBGZPJMESA-N 1 0 450.380 4.729 20 0 JJADRO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)N(C)C ZINC001461440239 1067857224 /nfs/dbraw/zinc/85/72/24/1067857224.db2.gz BJEDTTXQMAENFH-OTPAQWSUSA-N 1 0 455.643 4.927 20 0 JJADRO Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)N(C)C ZINC001461440240 1067857385 /nfs/dbraw/zinc/85/73/85/1067857385.db2.gz BJEDTTXQMAENFH-WATLYSKOSA-N 1 0 455.643 4.927 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3CCN(c4ccccc4C(F)(F)F)C3)C[C@@H]2C1 ZINC001461443831 1067857808 /nfs/dbraw/zinc/85/78/08/1067857808.db2.gz IUWRZRPPEZOYBN-RDGPPVDQSA-N 1 0 453.549 4.909 20 0 JJADRO COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1cccc(C[N@H+](C)Cc3ccccc3)c1)CCC2 ZINC001461447456 1067858719 /nfs/dbraw/zinc/85/87/19/1067858719.db2.gz YUZTVWIKWOIRNB-AREMUKBSSA-N 1 0 456.586 4.955 20 0 JJADRO CCOc1cc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)ccc1OCC(=O)N1CCCCC1 ZINC001461447788 1067859049 /nfs/dbraw/zinc/85/90/49/1067859049.db2.gz FEGKXHYXPSMTBZ-UHFFFAOYSA-N 1 0 454.586 4.871 20 0 JJADRO CCOc1cc(C[NH2+]CC(C)(C)c2cccc(Cl)c2F)ccc1O[C@H](C)C(=O)N(C)C ZINC001461455874 1067860643 /nfs/dbraw/zinc/86/06/43/1067860643.db2.gz FAULCZXBKLOIKN-MRXNPFEDSA-N 1 0 450.982 4.801 20 0 JJADRO CC(C)(C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cccc(Cl)c1F ZINC001461458087 1067861219 /nfs/dbraw/zinc/86/12/19/1067861219.db2.gz YKCASJSGUATCHU-UHFFFAOYSA-N 1 0 455.401 4.911 20 0 JJADRO COC[C@@H](C)Oc1ccc(C[NH2+][C@H](C)CCc2ccc(I)cc2)cc1 ZINC001461459768 1067862099 /nfs/dbraw/zinc/86/20/99/1067862099.db2.gz JDAVXHXULMZXLP-IAGOWNOFSA-N 1 0 453.364 4.816 20 0 JJADRO OC[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)Cc1ccc(F)c(F)c1 ZINC001461461943 1067862731 /nfs/dbraw/zinc/86/27/31/1067862731.db2.gz QYPPDDQEMWVTTH-CYBMUJFWSA-N 1 0 454.233 4.567 20 0 JJADRO COc1ccc(C[NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1Br ZINC001461466870 1067864115 /nfs/dbraw/zinc/86/41/15/1067864115.db2.gz XWFMKCOZLOJADM-UHFFFAOYSA-N 1 0 456.384 4.867 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C(C)(C)C ZINC001461478951 1067869606 /nfs/dbraw/zinc/86/96/06/1067869606.db2.gz SLLLNDOQMWIVEN-KRWDZBQOSA-N 1 0 451.409 4.868 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCCCC2=O)cc1 ZINC001461481813 1067871279 /nfs/dbraw/zinc/87/12/79/1067871279.db2.gz SEKVVVJTSQYNOI-UHFFFAOYSA-N 1 0 456.030 4.837 20 0 JJADRO FC(F)Oc1ccc(Br)c(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC001461484593 1067872070 /nfs/dbraw/zinc/87/20/70/1067872070.db2.gz QKAIPOARMLQLRN-UHFFFAOYSA-N 1 0 457.281 4.945 20 0 JJADRO CC(C)C1CCC(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC001461486541 1067872565 /nfs/dbraw/zinc/87/25/65/1067872565.db2.gz RREDYRYUJYSAFI-AFMYVXGZSA-N 1 0 457.478 4.654 20 0 JJADRO Cc1ccccc1-c1ccccc1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC001461499962 1067876737 /nfs/dbraw/zinc/87/67/37/1067876737.db2.gz DUIXHNPWZTZBKG-UHFFFAOYSA-N 1 0 456.327 4.995 20 0 JJADRO Cc1ccc(C(=O)N[C@@H](CC(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)c2ccccc2)cc1 ZINC001461500873 1067877446 /nfs/dbraw/zinc/87/74/46/1067877446.db2.gz BSQDJRIPGODTDA-FTJBHMTQSA-N 1 0 455.602 4.766 20 0 JJADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNc1cc(N(C)C)c(Br)c[nH+]1 ZINC001461516756 1067880123 /nfs/dbraw/zinc/88/01/23/1067880123.db2.gz RVLCYXYGKYGTOD-UHFFFAOYSA-N 1 0 452.759 4.868 20 0 JJADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001461532227 1067882697 /nfs/dbraw/zinc/88/26/97/1067882697.db2.gz XSTWNBZWTOWIRY-QGZVFWFLSA-N 1 0 453.384 4.662 20 0 JJADRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1=O ZINC001461533147 1067883417 /nfs/dbraw/zinc/88/34/17/1067883417.db2.gz ODDIRJVHLPCFFV-QVKFZJNVSA-N 1 0 456.359 4.978 20 0 JJADRO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001546125095 1067883443 /nfs/dbraw/zinc/88/34/43/1067883443.db2.gz VCNNESXRZBYBBK-GJZUVCINSA-N 1 0 455.687 4.593 20 0 JJADRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC001461537797 1067884100 /nfs/dbraw/zinc/88/41/00/1067884100.db2.gz KREHBZPWGBBAIG-GOSISDBHSA-N 1 0 458.400 4.864 20 0 JJADRO COc1cc(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)ccc1OCc1ccncc1 ZINC001461539283 1067884127 /nfs/dbraw/zinc/88/41/27/1067884127.db2.gz DUFPIBSXVCJRJP-QHCPKHFHSA-N 1 0 453.583 4.548 20 0 JJADRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC ZINC001461542671 1067885126 /nfs/dbraw/zinc/88/51/26/1067885126.db2.gz WQXSGOLEUNHDSO-IBGZPJMESA-N 1 0 451.407 4.825 20 0 JJADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001461555856 1067887463 /nfs/dbraw/zinc/88/74/63/1067887463.db2.gz UIIXMSVOBLIKLE-UHFFFAOYSA-N 1 0 454.846 4.969 20 0 JJADRO Cc1cccc(COc2c(C)cc(C[NH2+]C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2C)c1 ZINC001461558635 1067888090 /nfs/dbraw/zinc/88/80/90/1067888090.db2.gz HAPGSAKRGJAXDO-DEOSSOPVSA-N 1 0 454.611 4.916 20 0 JJADRO O[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)c1ccccc1Br ZINC001461578217 1067892638 /nfs/dbraw/zinc/89/26/38/1067892638.db2.gz FSSSBTQDTBQTTG-OAHLLOKOSA-N 1 0 451.105 4.636 20 0 JJADRO Brc1c[nH+]c(NCc2cnc(CCc3ccccc3)s2)cc1N1CCOCC1 ZINC001461577528 1067892732 /nfs/dbraw/zinc/89/27/32/1067892732.db2.gz DMHYIYSYLFSIJH-UHFFFAOYSA-N 1 0 459.413 4.535 20 0 JJADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001461588139 1067894635 /nfs/dbraw/zinc/89/46/35/1067894635.db2.gz ZMCCLYHKPRDWLH-ZJSXRUAMSA-N 1 0 458.528 4.518 20 0 JJADRO Cc1cc(Br)cn2c(C[NH2+][C@H](CCO)c3cccc(OC(F)(F)F)c3)cnc12 ZINC001461589662 1067895323 /nfs/dbraw/zinc/89/53/23/1067895323.db2.gz GUGQDTWPWDGALF-QGZVFWFLSA-N 1 0 458.278 4.517 20 0 JJADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC001461591101 1067895812 /nfs/dbraw/zinc/89/58/12/1067895812.db2.gz HLAAMZNSYREYMI-VHSXEESVSA-N 1 0 455.290 4.789 20 0 JJADRO CC(C)C[C@H]([NH2+]Cc1ccc(-c2ccccc2Br)s1)C(=O)N1CCOCC1 ZINC001461593176 1067896216 /nfs/dbraw/zinc/89/62/16/1067896216.db2.gz ANVNNAZQCYSSJM-IBGZPJMESA-N 1 0 451.430 4.541 20 0 JJADRO CC(C)[C@@H]1CN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001461597258 1067897611 /nfs/dbraw/zinc/89/76/11/1067897611.db2.gz IXLXOAHFVIDEBN-VXNXHJTFSA-N 1 0 457.659 4.829 20 0 JJADRO CC[C@H]([NH2+]Cc1cc(I)c(Br)cc1F)[C@H]1CCCCO1 ZINC001461607621 1067900840 /nfs/dbraw/zinc/90/08/40/1067900840.db2.gz LWFXJEFIWYHCNY-LSDHHAIUSA-N 1 0 456.137 4.630 20 0 JJADRO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cnc3ccc(Br)cn13)CSC2 ZINC001461613852 1067902230 /nfs/dbraw/zinc/90/22/30/1067902230.db2.gz AXEROZVMGTYIRX-INIZCTEOSA-N 1 0 453.203 4.937 20 0 JJADRO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)ccc1-n1cncn1 ZINC001461618892 1067902983 /nfs/dbraw/zinc/90/29/83/1067902983.db2.gz OFJJZSBSVVKERB-DHIUTWEWSA-N 1 0 465.573 4.598 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CCS[C@@H]2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001461622400 1067903695 /nfs/dbraw/zinc/90/36/95/1067903695.db2.gz DMUGHTKOTRACSF-RHSMWYFYSA-N 1 0 454.514 4.715 20 0 JJADRO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC001461625885 1067904473 /nfs/dbraw/zinc/90/44/73/1067904473.db2.gz CKLSZMQBCFNUJM-NNPDTBDGSA-N 1 0 457.638 4.519 20 0 JJADRO CN(CCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl)S(C)(=O)=O ZINC001461625879 1067904513 /nfs/dbraw/zinc/90/45/13/1067904513.db2.gz BLTOBLGTKUHWSH-UHFFFAOYSA-N 1 0 451.803 4.810 20 0 JJADRO CS(=O)(=O)CC1(CC[NH2+]Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)CC1 ZINC001461630668 1067905615 /nfs/dbraw/zinc/90/56/15/1067905615.db2.gz JTUJPCTWZJTLDQ-UHFFFAOYSA-N 1 0 458.027 4.556 20 0 JJADRO COc1c(Br)cc(C[NH2+]Cc2cccnc2N2CCCC2)cc1Br ZINC001461635777 1067906823 /nfs/dbraw/zinc/90/68/23/1067906823.db2.gz VDTWCIVVZOFWQO-UHFFFAOYSA-N 1 0 455.194 4.505 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001461643534 1067908019 /nfs/dbraw/zinc/90/80/19/1067908019.db2.gz ZFLVFVMVLWEDOO-UYAOXDASSA-N 1 0 466.301 4.967 20 0 JJADRO FC(F)(F)c1ccc(Cn2cc(C[NH2+]Cc3cccc(COC[C@H]4CCCO4)c3)cn2)cc1 ZINC001461644809 1067908521 /nfs/dbraw/zinc/90/85/21/1067908521.db2.gz FOTBLJWTNQNOND-XMMPIXPASA-N 1 0 459.512 4.936 20 0 JJADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c1 ZINC001461657343 1067911653 /nfs/dbraw/zinc/91/16/53/1067911653.db2.gz ZFFZBKAQIAHHME-FNZWTVRRSA-N 1 0 457.574 4.811 20 0 JJADRO C[C@@H]1[C@@H]([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CCN1C(=O)OC(C)(C)C ZINC001461670539 1067915046 /nfs/dbraw/zinc/91/50/46/1067915046.db2.gz WJPYHOREHNKOQU-QAPCUYQASA-N 1 0 451.633 4.529 20 0 JJADRO CN(C)C[C@@H]([NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001461674279 1067915447 /nfs/dbraw/zinc/91/54/47/1067915447.db2.gz DNYJDBAPJMUOKA-JKSUJKDBSA-N 1 0 457.459 4.743 20 0 JJADRO COc1cc(C[NH2+]C[C@@H]2CN(Cc3ccc(C)cc3)CCO2)ccc1OCc1cccs1 ZINC001461696077 1067920401 /nfs/dbraw/zinc/92/04/01/1067920401.db2.gz UAPMCAKCDPJUGX-HSZRJFAPSA-N 1 0 452.620 4.635 20 0 JJADRO COC[C@@H]([NH2+]Cc1cnc2c(C)cc(Br)cn12)c1cccc(Br)c1 ZINC001461702678 1067921928 /nfs/dbraw/zinc/92/19/28/1067921928.db2.gz LLFHFEUTFFRJHD-QGZVFWFLSA-N 1 0 453.178 4.645 20 0 JJADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001461716845 1067924098 /nfs/dbraw/zinc/92/40/98/1067924098.db2.gz LZOHYAQTLBRPOM-HXUWFJFHSA-N 1 0 457.405 4.729 20 0 JJADRO COc1cc(C[NH2+]Cc2cc(C)ccn2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001461724677 1067926332 /nfs/dbraw/zinc/92/63/32/1067926332.db2.gz PRSAJEZOGUNVKV-UHFFFAOYSA-N 1 0 459.468 4.725 20 0 JJADRO COc1ccc2ccccc2c1CC[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001461747939 1067929899 /nfs/dbraw/zinc/92/98/99/1067929899.db2.gz IJWWPEYIEFPFTG-NRFANRHFSA-N 1 0 454.611 4.929 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001461751632 1067930609 /nfs/dbraw/zinc/93/06/09/1067930609.db2.gz HMZLIDLEWRNAGL-QZTJIDSGSA-N 1 0 454.030 4.926 20 0 JJADRO COc1cc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1OCC(F)(F)F ZINC001461758624 1067931901 /nfs/dbraw/zinc/93/19/01/1067931901.db2.gz YWLNVCQOEQUXMH-QZTJIDSGSA-N 1 0 462.434 4.789 20 0 JJADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H]3N4C(=O)OC(C)(C)C)c2)cc1 ZINC001461815983 1067941343 /nfs/dbraw/zinc/94/13/43/1067941343.db2.gz IFNVLZKJUNYPSP-PUHATCMVSA-N 1 0 451.567 4.578 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)Cc2ccc(-n3cccc3)cc2)C1 ZINC001461830078 1067943232 /nfs/dbraw/zinc/94/32/32/1067943232.db2.gz KCUYRSRBEMYRQF-QFIPXVFZSA-N 1 0 452.396 4.692 20 0 JJADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)Cc2csc(C(C)(C)C)n2)C1 ZINC001461830241 1067943369 /nfs/dbraw/zinc/94/33/69/1067943369.db2.gz LCZRVEYPOWPQCF-KRWDZBQOSA-N 1 0 450.446 4.655 20 0 JJADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001461856383 1067948531 /nfs/dbraw/zinc/94/85/31/1067948531.db2.gz OAYVHXFNACFGHJ-SIKLNZKXSA-N 1 0 451.636 4.544 20 0 JJADRO COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1Br ZINC001461862077 1067949338 /nfs/dbraw/zinc/94/93/38/1067949338.db2.gz MYBXGDWYZADHOC-OFNKIYASSA-N 1 0 457.412 4.722 20 0 JJADRO C[N@H+](Cc1ccnc2c(Br)cccc12)[C@@H](CO)c1cccc(Br)c1 ZINC001461874275 1067952481 /nfs/dbraw/zinc/95/24/81/1067952481.db2.gz QGPRXHAMSUWKMN-SFHVURJKSA-N 1 0 450.174 4.925 20 0 JJADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)CC[C@H]2CCCO2)c1 ZINC001461881526 1067953621 /nfs/dbraw/zinc/95/36/21/1067953621.db2.gz DUTNEIRUJUFCHN-DLBZAZTESA-N 1 0 458.430 4.597 20 0 JJADRO C[NH+]1CCC2(CC1)CN(C(=O)c1c(Cl)cc(F)cc1Br)Cc1ccccc12 ZINC001461882166 1067953746 /nfs/dbraw/zinc/95/37/46/1067953746.db2.gz MCTYSQRXBRMFOD-UHFFFAOYSA-N 1 0 451.767 4.861 20 0 JJADRO CCCc1c(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)nnn1-c1cccc(C(C)C)c1 ZINC001461896027 1067956529 /nfs/dbraw/zinc/95/65/29/1067956529.db2.gz ASALGMBOVCRQJT-UHFFFAOYSA-N 1 0 459.638 4.737 20 0 JJADRO COCCCOC1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)CC1 ZINC001461895881 1067956621 /nfs/dbraw/zinc/95/66/21/1067956621.db2.gz FHJRRZGVFHEBQY-UHFFFAOYSA-N 1 0 450.421 4.776 20 0 JJADRO COc1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1C(C)(C)C ZINC001461905218 1067958738 /nfs/dbraw/zinc/95/87/38/1067958738.db2.gz WIFIMTILYQEEMX-KRWDZBQOSA-N 1 0 450.579 4.807 20 0 JJADRO C[C@@H](c1ccc2ccccc2c1)[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC001461907576 1067959256 /nfs/dbraw/zinc/95/92/56/1067959256.db2.gz OYVCRHCLVYXCEI-HNNXBMFYSA-N 1 0 459.409 4.975 20 0 JJADRO CC(C)(C)OC(=O)N1[C@@H](C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1C1CC1 ZINC001461907009 1067959309 /nfs/dbraw/zinc/95/93/09/1067959309.db2.gz BXTLVKSAHMSPNU-BJKOFHAPSA-N 1 0 455.643 4.583 20 0 JJADRO COC(=O)c1ccc(COc2ccccc2C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC001461925326 1067962219 /nfs/dbraw/zinc/96/22/19/1067962219.db2.gz FCTGUPICNOSHKI-UHFFFAOYSA-N 1 0 458.558 4.903 20 0 JJADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001461924192 1067962408 /nfs/dbraw/zinc/96/24/08/1067962408.db2.gz ZDRZIZCYHCBHQR-SFHVURJKSA-N 1 0 456.553 4.778 20 0 JJADRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461943023 1067965545 /nfs/dbraw/zinc/96/55/45/1067965545.db2.gz QYLCCFVSKKDTJQ-SFHVURJKSA-N 1 0 458.500 4.926 20 0 JJADRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001461956643 1067968879 /nfs/dbraw/zinc/96/88/79/1067968879.db2.gz GUGNQHHIYJCXJU-QHCPKHFHSA-N 1 0 457.659 4.888 20 0 JJADRO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC001461971061 1067971997 /nfs/dbraw/zinc/97/19/97/1067971997.db2.gz NUGWQPWJXBULGR-OAQYLSRUSA-N 1 0 451.611 4.549 20 0 JJADRO COC(=O)c1ccc(COc2ccccc2C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC001461971004 1067972016 /nfs/dbraw/zinc/97/20/16/1067972016.db2.gz MHWVWWKUTWRUPL-UHFFFAOYSA-N 1 0 459.542 4.853 20 0 JJADRO C[C@H]1C[C@@H](N(C)Cc2cccc(F)c2I)CC[N@@H+]1Cc1ccccc1 ZINC001461989068 1067976058 /nfs/dbraw/zinc/97/60/58/1067976058.db2.gz ZALZWDNGMCFPHR-LPHOPBHVSA-N 1 0 452.355 4.915 20 0 JJADRO COC(=O)c1ccc(COc2ccccc2C[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)cc1 ZINC001461991360 1067976563 /nfs/dbraw/zinc/97/65/63/1067976563.db2.gz QSPLMFJEEUARAD-UHFFFAOYSA-N 1 0 454.567 4.589 20 0 JJADRO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1F ZINC001461995801 1067977072 /nfs/dbraw/zinc/97/70/72/1067977072.db2.gz PSTDVOKASRCZMH-HRAATJIYSA-N 1 0 452.492 4.813 20 0 JJADRO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1cnc(-c2ccccc2F)s1 ZINC001462036119 1067985433 /nfs/dbraw/zinc/98/54/33/1067985433.db2.gz AJGWYRUEJHVEKU-FQEVSTJZSA-N 1 0 456.539 4.629 20 0 JJADRO CN(C)c1cc(Br)cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC001462041417 1067987823 /nfs/dbraw/zinc/98/78/23/1067987823.db2.gz HRIADGFKVPTKBP-SFHVURJKSA-N 1 0 459.215 4.855 20 0 JJADRO COc1ccc(C)cc1CN1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001462049230 1067989946 /nfs/dbraw/zinc/98/99/46/1067989946.db2.gz VNOYGKLOBJHJKG-UHFFFAOYSA-N 1 0 458.528 4.585 20 0 JJADRO Cc1ccc(CCC(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)cc1Cl ZINC001462056252 1067992635 /nfs/dbraw/zinc/99/26/35/1067992635.db2.gz COQKJPHXFRWFOJ-UHFFFAOYSA-N 1 0 458.990 4.672 20 0 JJADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC001462059970 1067993499 /nfs/dbraw/zinc/99/34/99/1067993499.db2.gz JTJMJJSAAPJAHR-HUUCEWRRSA-N 1 0 462.488 4.925 20 0 JJADRO CC1(C)C[C@H]1C(=O)Nc1cc(Br)ccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001462061743 1067994028 /nfs/dbraw/zinc/99/40/28/1067994028.db2.gz DLTWEEJABFEKBR-NRFANRHFSA-N 1 0 456.428 4.752 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](CC(N)=O)c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC001462064669 1067994558 /nfs/dbraw/zinc/99/45/58/1067994558.db2.gz QUCAOZPQCALUSP-COPCDDAFSA-N 1 0 458.002 4.987 20 0 JJADRO COC(=O)c1ccccc1-c1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)o1 ZINC001462076339 1067996896 /nfs/dbraw/zinc/99/68/96/1067996896.db2.gz RWMSGSVKINYMMS-UHFFFAOYSA-N 1 0 457.324 4.614 20 0 JJADRO COC(=O)c1csc(-c2cccc(C[NH2+][C@H](C)C[C@H]3CCCN3C(=O)OC(C)(C)C)c2)n1 ZINC001462086530 1067999479 /nfs/dbraw/zinc/99/94/79/1067999479.db2.gz LYGUBOLYMYBXAK-VQIMIIECSA-N 1 0 459.612 4.864 20 0 JJADRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC001462090701 1068000179 /nfs/dbraw/zinc/00/01/79/1068000179.db2.gz LXCXLCFFXWLFHA-CYBMUJFWSA-N 1 0 454.411 4.624 20 0 JJADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC001462094930 1068001147 /nfs/dbraw/zinc/00/11/47/1068001147.db2.gz WSGKSNAGBKDGFH-KGLIPLIRSA-N 1 0 453.004 4.969 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)CCOc2ccc(C)cc2C)cc1 ZINC001462108032 1068005268 /nfs/dbraw/zinc/00/52/68/1068005268.db2.gz LXCMKDHJWHDDKI-RRPNLBNLSA-N 1 0 458.602 4.865 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cccc(OC(C)(C)C)n2)cc1 ZINC001462109080 1068005714 /nfs/dbraw/zinc/00/57/14/1068005714.db2.gz NYRSTAFBAYWHEL-UKILVPOCSA-N 1 0 459.590 4.666 20 0 JJADRO CCc1nc(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC001462109813 1068005957 /nfs/dbraw/zinc/00/59/57/1068005957.db2.gz BZXFZVHDXPEPEG-FQEVSTJZSA-N 1 0 452.002 4.658 20 0 JJADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001462111438 1068006893 /nfs/dbraw/zinc/00/68/93/1068006893.db2.gz KIOMDGNBITWSRD-YVEFUNNKSA-N 1 0 459.281 4.933 20 0 JJADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2I)[C@@H]1Oc1ccccc1 ZINC001462117752 1068008056 /nfs/dbraw/zinc/00/80/56/1068008056.db2.gz OENBFEVRUXEKAM-OTWHNJEPSA-N 1 0 457.739 4.659 20 0 JJADRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC001462118872 1068008553 /nfs/dbraw/zinc/00/85/53/1068008553.db2.gz IWESXXLJVKKLJE-QFBILLFUSA-N 1 0 457.405 4.985 20 0 JJADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001462124837 1068010581 /nfs/dbraw/zinc/01/05/81/1068010581.db2.gz PTGFJCRLJMACTO-WIYYLYMNSA-N 1 0 452.986 4.597 20 0 JJADRO Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)ccc1-c1ccccc1 ZINC001462131376 1068012161 /nfs/dbraw/zinc/01/21/61/1068012161.db2.gz YKAFGJOPZPPTGZ-JOCHJYFZSA-N 1 0 451.611 4.515 20 0 JJADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]CC1(C)CCN(C(=O)OCC)CC1 ZINC001462133534 1068012842 /nfs/dbraw/zinc/01/28/42/1068012842.db2.gz WTVBBCRTZMILSF-FQEVSTJZSA-N 1 0 455.437 4.635 20 0 JJADRO COCC[C@@H](C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1)NC(=O)OC(C)(C)C ZINC001462136539 1068013253 /nfs/dbraw/zinc/01/32/53/1068013253.db2.gz ICDKGJBEIAZAAP-IBGZPJMESA-N 1 0 455.437 4.732 20 0 JJADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)cc2C1 ZINC001462162214 1068019537 /nfs/dbraw/zinc/01/95/37/1068019537.db2.gz JEXIONVEGYQKIG-UHFFFAOYSA-N 1 0 456.652 4.859 20 0 JJADRO Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CCc4cc(Br)ccc4C3)C2)c1 ZINC001462165630 1068020144 /nfs/dbraw/zinc/02/01/44/1068020144.db2.gz XFQHWTGTDDUPIU-MOPGFXCFSA-N 1 0 450.218 4.937 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001462165644 1068020287 /nfs/dbraw/zinc/02/02/87/1068020287.db2.gz XREKIDPPMRITQH-GCJKJVERSA-N 1 0 452.437 4.655 20 0 JJADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC001462171796 1068021591 /nfs/dbraw/zinc/02/15/91/1068021591.db2.gz VNFGUZKVWKUCSA-GDBMZVCRSA-N 1 0 452.382 4.596 20 0 JJADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]C3CC(N4CCC(C(F)(F)F)CC4)C3)CC[C@@H]21 ZINC001462175894 1068022404 /nfs/dbraw/zinc/02/24/04/1068022404.db2.gz FFBDBDSOIUBPIK-LJRUZBCWSA-N 1 0 459.597 4.950 20 0 JJADRO COCCc1ccc(OC[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001462189733 1068025788 /nfs/dbraw/zinc/02/57/88/1068025788.db2.gz PWENTTPYMLZCKU-HRAATJIYSA-N 1 0 451.394 4.735 20 0 JJADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001462198285 1068027388 /nfs/dbraw/zinc/02/73/88/1068027388.db2.gz LAPCSZFQYKECPE-IBGZPJMESA-N 1 0 454.949 4.683 20 0 JJADRO C[NH+]1CCC(N(Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)Cc2ccccc2)CC1 ZINC001462199233 1068027465 /nfs/dbraw/zinc/02/74/65/1068027465.db2.gz GOFJNJZQOZMXJQ-UHFFFAOYSA-N 1 0 456.656 4.533 20 0 JJADRO CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3cc4cc(Br)ccc4o3)c2)n1 ZINC001462206564 1068028845 /nfs/dbraw/zinc/02/88/45/1068028845.db2.gz UJRBXVNMLMHPBM-UHFFFAOYSA-N 1 0 454.324 4.848 20 0 JJADRO COc1ccc(C[N@H+](Cc2c(C)nn(CC(=O)OC(C)C)c2C)C2CCCCC2)cc1OC ZINC001462212001 1068029721 /nfs/dbraw/zinc/02/97/21/1068029721.db2.gz YYUJXLCJAPRKJK-UHFFFAOYSA-N 1 0 457.615 4.804 20 0 JJADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccc(Sc4ccccc4)cc3)C2)CC1 ZINC001462225309 1068032594 /nfs/dbraw/zinc/03/25/94/1068032594.db2.gz UBAAXNRMHQBQEC-JOCHJYFZSA-N 1 0 453.652 4.965 20 0 JJADRO COCC1(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462242358 1068036271 /nfs/dbraw/zinc/03/62/71/1068036271.db2.gz XEAZSCDSJXLQTK-ISKFKSNPSA-N 1 0 457.659 4.608 20 0 JJADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)cc1OC ZINC001462245845 1068037380 /nfs/dbraw/zinc/03/73/80/1068037380.db2.gz FVHDRTWIUMKXHI-KBAYOESNSA-N 1 0 450.417 4.708 20 0 JJADRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001462249096 1068037933 /nfs/dbraw/zinc/03/79/33/1068037933.db2.gz RKNVPKWJCVGXPK-ACRUOGEOSA-N 1 0 451.652 4.603 20 0 JJADRO CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C ZINC001462258509 1068039985 /nfs/dbraw/zinc/03/99/85/1068039985.db2.gz JKLMLTQGUOHPKK-QWHCGFSZSA-N 1 0 451.917 4.969 20 0 JJADRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)o1 ZINC001462267967 1068040974 /nfs/dbraw/zinc/04/09/74/1068040974.db2.gz NCQBTNXMFOLEMO-UZUQRXQVSA-N 1 0 450.510 4.714 20 0 JJADRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001462265537 1068041139 /nfs/dbraw/zinc/04/11/39/1068041139.db2.gz FGIZRPZFTCMBQE-UHFFFAOYSA-N 1 0 453.583 4.874 20 0 JJADRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)C1=O ZINC001462264421 1068041327 /nfs/dbraw/zinc/04/13/27/1068041327.db2.gz AFKLJTXKZYJSDY-CVKACTFSSA-N 1 0 459.606 4.503 20 0 JJADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC001462268774 1068041642 /nfs/dbraw/zinc/04/16/42/1068041642.db2.gz INYPHMKRGVRNRQ-LBPRGKRZSA-N 1 0 457.518 4.505 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(Br)cc2)C12CCOCC2 ZINC001462271911 1068041692 /nfs/dbraw/zinc/04/16/92/1068041692.db2.gz MGKSSQZVOTUABJ-NYQZOWANSA-N 1 0 451.405 4.514 20 0 JJADRO CC(C)n1cc(C2=CCC[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC2)nn1 ZINC001462275254 1068042091 /nfs/dbraw/zinc/04/20/91/1068042091.db2.gz QNIWHLWVBJVOKX-UHFFFAOYSA-N 1 0 451.615 4.832 20 0 JJADRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294331 1068045603 /nfs/dbraw/zinc/04/56/03/1068045603.db2.gz KJIMDJWBRHRFLS-NFBKMPQASA-N 1 0 453.583 4.501 20 0 JJADRO Cc1cc(Cl)ccc1N(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCO[C@H]1C ZINC001462297517 1068046409 /nfs/dbraw/zinc/04/64/09/1068046409.db2.gz OROQWAJVMUIWAH-SQJMNOBHSA-N 1 0 456.030 4.761 20 0 JJADRO CC(C)(C)OC(=O)NC1(CC[NH+]2CC(Cc3ccccc3OC(F)(F)F)C2)CCOCC1 ZINC001462322111 1068051159 /nfs/dbraw/zinc/05/11/59/1068051159.db2.gz PDNHZOMTOTXVAL-UHFFFAOYSA-N 1 0 458.521 4.524 20 0 JJADRO CCCn1cncc1C[NH+]1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2)CC1 ZINC001462341373 1068054731 /nfs/dbraw/zinc/05/47/31/1068054731.db2.gz JQJIVBRDAWTUCI-UHFFFAOYSA-N 1 0 456.635 4.510 20 0 JJADRO CC(C)(C)OC(=O)NCC1(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001462339829 1068054764 /nfs/dbraw/zinc/05/47/64/1068054764.db2.gz SJHBDGSWXJUIDC-LEWJYISDSA-N 1 0 477.621 4.813 20 0 JJADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC001462361384 1068060011 /nfs/dbraw/zinc/06/00/11/1068060011.db2.gz NWAOJBYYWGOFLN-UHFFFAOYSA-N 1 0 452.324 4.888 20 0 JJADRO COCC[N@H+](Cc1cnc2c(F)cccc2c1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462396053 1068065150 /nfs/dbraw/zinc/06/51/50/1068065150.db2.gz PLEHVUGTFXNXBN-UHFFFAOYSA-N 1 0 451.542 4.624 20 0 JJADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)c(OC)c1 ZINC001462398360 1068065471 /nfs/dbraw/zinc/06/54/71/1068065471.db2.gz AMOAKTSIHLGOAO-BUKVSMQUSA-N 1 0 454.567 4.581 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001462409919 1068068249 /nfs/dbraw/zinc/06/82/49/1068068249.db2.gz XQKFIKCTGFJKRS-QKNQBKEWSA-N 1 0 454.558 4.615 20 0 JJADRO C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001462424751 1068071838 /nfs/dbraw/zinc/07/18/38/1068071838.db2.gz GLTUSPSQGZAGAP-FYYLOGMGSA-N 1 0 457.659 4.771 20 0 JJADRO COC(=O)c1cc(Br)oc1C[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC001462436091 1068073630 /nfs/dbraw/zinc/07/36/30/1068073630.db2.gz CXUXKHJHJFDLMA-UHFFFAOYSA-N 1 0 457.162 4.704 20 0 JJADRO COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001462437000 1068073969 /nfs/dbraw/zinc/07/39/69/1068073969.db2.gz ITDZTXNCUUSHNX-CVDCTZTESA-N 1 0 453.579 4.852 20 0 JJADRO CN(Cc1cc(Br)cc(C(F)(F)F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462477625 1068081941 /nfs/dbraw/zinc/08/19/41/1068081941.db2.gz HXCJLRYRGJXOSM-HXUWFJFHSA-N 1 0 457.334 4.537 20 0 JJADRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 ZINC001462482807 1068082630 /nfs/dbraw/zinc/08/26/30/1068082630.db2.gz XNZOPOHKQQBJSJ-QGZVFWFLSA-N 1 0 455.990 4.666 20 0 JJADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)C12CCOCC2 ZINC001462483953 1068083212 /nfs/dbraw/zinc/08/32/12/1068083212.db2.gz HXWYKWWKJKGMMA-VQTJNVASSA-N 1 0 451.970 4.555 20 0 JJADRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)o1 ZINC001462497767 1068085694 /nfs/dbraw/zinc/08/56/94/1068085694.db2.gz VKJBKCVAINKEJB-DVRVPYBTSA-N 1 0 454.567 4.999 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462521745 1068090662 /nfs/dbraw/zinc/09/06/62/1068090662.db2.gz ZAGSFJZGAVQFBF-BJKOFHAPSA-N 1 0 452.595 4.555 20 0 JJADRO CN(Cc1ccc(F)cc1I)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001462543853 1068095236 /nfs/dbraw/zinc/09/52/36/1068095236.db2.gz CWSMPTHOQXLQKT-FQEVSTJZSA-N 1 0 452.355 4.917 20 0 JJADRO CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001546132348 1068095653 /nfs/dbraw/zinc/09/56/53/1068095653.db2.gz FQRNGHMAORGZJF-UHFFFAOYSA-N 1 0 490.490 4.753 20 0 JJADRO CN(Cc1cn(-c2ccccc2Br)nn1)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001462544122 1068095719 /nfs/dbraw/zinc/09/57/19/1068095719.db2.gz GGMASPBRGOSUNR-NRFANRHFSA-N 1 0 454.416 4.516 20 0 JJADRO COc1ccc(C2=NO[C@H](C[NH2+][C@@H]3CC[C@@H]4[C@H](CCCN4C(=O)OC(C)(C)C)C3)C2)cc1C ZINC001462548870 1068096050 /nfs/dbraw/zinc/09/60/50/1068096050.db2.gz GICXUNQGHPDBMV-CUDBPUKSSA-N 1 0 457.615 4.654 20 0 JJADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC001462554063 1068097471 /nfs/dbraw/zinc/09/74/71/1068097471.db2.gz AWYKRXLODKOOGG-GFCCVEGCSA-N 1 0 450.283 4.889 20 0 JJADRO O=C(C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)Nc1cccc2cccnc21 ZINC001462553695 1068097728 /nfs/dbraw/zinc/09/77/28/1068097728.db2.gz FKAQIJVDGLRASN-UHFFFAOYSA-N 1 0 454.246 4.624 20 0 JJADRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cnc(-c4ccc(Br)cc4)s3)C2)cc1 ZINC001462558001 1068098224 /nfs/dbraw/zinc/09/82/24/1068098224.db2.gz XNKKEOXSZDAMRR-SFHVURJKSA-N 1 0 458.381 4.864 20 0 JJADRO COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001462561078 1068098628 /nfs/dbraw/zinc/09/86/28/1068098628.db2.gz VULLXFWIHUIUIJ-GBXCKJPGSA-N 1 0 454.611 4.594 20 0 JJADRO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC001462570493 1068100674 /nfs/dbraw/zinc/10/06/74/1068100674.db2.gz LMPZSDRLZPYSBU-LSUHJGNXSA-N 1 0 460.540 4.779 20 0 JJADRO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001462575197 1068101836 /nfs/dbraw/zinc/10/18/36/1068101836.db2.gz AEBZXPDOKFVNSM-SJLPKXTDSA-N 1 0 477.447 4.926 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001462595449 1068107440 /nfs/dbraw/zinc/10/74/40/1068107440.db2.gz NFAZKSWZGOKTRI-NMIHRBCNSA-N 1 0 459.631 4.625 20 0 JJADRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)C1 ZINC001462592619 1068107644 /nfs/dbraw/zinc/10/76/44/1068107644.db2.gz NDWHCLPDCLAOGV-FIKGOQFSSA-N 1 0 450.542 4.810 20 0 JJADRO COc1ccc(CC[C@@H](C)[NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)cc1O ZINC001462602987 1068110235 /nfs/dbraw/zinc/11/02/35/1068110235.db2.gz IKPIPCUGECGVSY-ZHCYEPILSA-N 1 0 454.611 4.937 20 0 JJADRO CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC[NH+](C[C@H]2CCc3ccccc32)CC1 ZINC001462638564 1068120838 /nfs/dbraw/zinc/12/08/38/1068120838.db2.gz WELHDABHETUKRM-OAQYLSRUSA-N 1 0 459.631 4.506 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2c(Cl)cccc2Br)CCOCC1 ZINC001462642662 1068122450 /nfs/dbraw/zinc/12/24/50/1068122450.db2.gz FMBZIKRRJFHMSA-UHFFFAOYSA-N 1 0 451.792 4.514 20 0 JJADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001462649923 1068123698 /nfs/dbraw/zinc/12/36/98/1068123698.db2.gz VYZDLCICIOBRNL-KRWDZBQOSA-N 1 0 455.393 4.505 20 0 JJADRO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001462656309 1068125723 /nfs/dbraw/zinc/12/57/23/1068125723.db2.gz WMJWZGCGASVSIU-BVZFJXPGSA-N 1 0 477.671 4.921 20 0 JJADRO Cc1ccc(CCC[NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)cn1 ZINC001462684786 1068131363 /nfs/dbraw/zinc/13/13/63/1068131363.db2.gz GPWJJHKEWBDTSM-UHFFFAOYSA-N 1 0 451.611 4.987 20 0 JJADRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(Br)c1 ZINC001462704796 1068137010 /nfs/dbraw/zinc/13/70/10/1068137010.db2.gz AHVDKLJIQOXFPM-SFHVURJKSA-N 1 0 457.821 4.526 20 0 JJADRO C[NH+](C)Cc1ccc(NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)cc1C(F)(F)F ZINC001462727121 1068144671 /nfs/dbraw/zinc/14/46/71/1068144671.db2.gz DKDQAPHAYGDDAX-UHFFFAOYSA-N 1 0 458.506 4.501 20 0 JJADRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCCCCc2ccccc2)cc1 ZINC001462767930 1068160576 /nfs/dbraw/zinc/16/05/76/1068160576.db2.gz UWQVFCTWONBCHA-WUFINQPMSA-N 1 0 462.659 4.905 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001462782605 1068166859 /nfs/dbraw/zinc/16/68/59/1068166859.db2.gz PGQADOPWJDTBTH-UHFFFAOYSA-N 1 0 459.409 4.656 20 0 JJADRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC001462783418 1068166977 /nfs/dbraw/zinc/16/69/77/1068166977.db2.gz UDKQACNKBYVAMB-UHFFFAOYSA-N 1 0 450.938 4.825 20 0 JJADRO Cc1cc(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cnc1Cl ZINC001462799028 1068171102 /nfs/dbraw/zinc/17/11/02/1068171102.db2.gz NTWJBTMEGXGLNC-UHFFFAOYSA-N 1 0 456.011 4.785 20 0 JJADRO CC1([NH+]2CCCC2)CCC(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001462821350 1068176182 /nfs/dbraw/zinc/17/61/82/1068176182.db2.gz KUVQUQZRWRMNQU-WEQDKIBNSA-N 1 0 452.426 4.511 20 0 JJADRO CC(C)Oc1cc(Br)ccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001462828268 1068180173 /nfs/dbraw/zinc/18/01/73/1068180173.db2.gz BZTLTFCBAFCTQO-UXHICEINSA-N 1 0 457.412 4.830 20 0 JJADRO COc1ccc2c(c1)CCC(S(=O)(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)=C2 ZINC001462830005 1068181503 /nfs/dbraw/zinc/18/15/03/1068181503.db2.gz IOVIRLVLFFHDSU-PMACEKPBSA-N 1 0 454.636 4.580 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)c3ccc(F)cc3C(F)(F)F)cc2)C1 ZINC001462837377 1068185144 /nfs/dbraw/zinc/18/51/44/1068185144.db2.gz NXSSFZDPTHDBLE-IYBDPMFKSA-N 1 0 458.521 4.801 20 0 JJADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001462847240 1068188585 /nfs/dbraw/zinc/18/85/85/1068188585.db2.gz TWWDDLXMDVUEBD-WLEBGAPTSA-N 1 0 491.676 4.696 20 0 JJADRO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c2ccccc12 ZINC001462895753 1068206455 /nfs/dbraw/zinc/20/64/55/1068206455.db2.gz KOTQXWSMCHUPTD-DEOSSOPVSA-N 1 0 452.620 4.990 20 0 JJADRO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1-c1ccccc1 ZINC001462898558 1068208313 /nfs/dbraw/zinc/20/83/13/1068208313.db2.gz YAUHHRLATVYQHV-UHFFFAOYSA-N 1 0 450.604 4.553 20 0 JJADRO COc1cc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)ccc1OCc1ccc(Cl)cc1 ZINC001462932333 1068219927 /nfs/dbraw/zinc/21/99/27/1068219927.db2.gz RILHOEHANSGDRW-JOCHJYFZSA-N 1 0 453.970 4.745 20 0 JJADRO COc1ccc(S(=O)(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1-c1ccccc1 ZINC001462954383 1068228239 /nfs/dbraw/zinc/22/82/39/1068228239.db2.gz KCVUFMYRXQUIMA-RUZDIDTESA-N 1 0 450.604 4.786 20 0 JJADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001462973159 1068234026 /nfs/dbraw/zinc/23/40/26/1068234026.db2.gz FPQCYPKUYVMQGX-UHFFFAOYSA-N 1 0 457.757 4.678 20 0 JJADRO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003844 1068246339 /nfs/dbraw/zinc/24/63/39/1068246339.db2.gz VRSVOLLEQRQZCG-QRQCRPRQSA-N 1 0 452.904 4.907 20 0 JJADRO Cc1ccc(CN(C)S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)s1 ZINC001463009273 1068249318 /nfs/dbraw/zinc/24/93/18/1068249318.db2.gz ZGDMDKHDSQOLGR-BJKOFHAPSA-N 1 0 458.624 4.625 20 0 JJADRO O=S(=O)(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001463031643 1068257503 /nfs/dbraw/zinc/25/75/03/1068257503.db2.gz BLRNJXRJQSRYNS-LJQANCHMSA-N 1 0 454.061 4.787 20 0 JJADRO O=S(=O)(Cc1ccc(C2CCCCC2)cc1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001463077652 1068279540 /nfs/dbraw/zinc/27/95/40/1068279540.db2.gz NYGRDIUFGNCXEZ-UHFFFAOYSA-N 1 0 456.652 4.829 20 0 JJADRO C[C@@]1(NC(=O)c2scnc2Br)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463145815 1068302283 /nfs/dbraw/zinc/30/22/83/1068302283.db2.gz DYJMMTBNQBZFLB-PGRDOPGGSA-N 1 0 456.409 4.694 20 0 JJADRO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)c1cc(F)c(OC)c(F)c1 ZINC001463150001 1068303796 /nfs/dbraw/zinc/30/37/96/1068303796.db2.gz SUXVKXSCJUAGPD-JLYLLQBASA-N 1 0 458.615 4.806 20 0 JJADRO COc1ccc(/C=C/C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC001463150888 1068304158 /nfs/dbraw/zinc/30/41/58/1068304158.db2.gz RXEQWPADWOQTCP-FDVZVMDSSA-N 1 0 456.586 4.892 20 0 JJADRO Cc1ccc(Cl)c(S(=O)(=O)NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)c1 ZINC001463220585 1068324782 /nfs/dbraw/zinc/32/47/82/1068324782.db2.gz SAWOCTIXGKVSNJ-UHFFFAOYSA-N 1 0 451.032 4.770 20 0 JJADRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1C(F)(F)F ZINC001463224569 1068326439 /nfs/dbraw/zinc/32/64/39/1068326439.db2.gz JPWDDHJNJQJUPV-QFIPXVFZSA-N 1 0 452.542 4.691 20 0 JJADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1C(F)(F)F ZINC001463276585 1068341617 /nfs/dbraw/zinc/34/16/17/1068341617.db2.gz AGFXBMJSQGSNJF-DENIHFKCSA-N 1 0 452.542 4.689 20 0 JJADRO CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001463277051 1068341786 /nfs/dbraw/zinc/34/17/86/1068341786.db2.gz DKGQKMMJAWPFMH-UPVQGACJSA-N 1 0 454.636 4.591 20 0 JJADRO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463341998 1068363059 /nfs/dbraw/zinc/36/30/59/1068363059.db2.gz CWBQBQLWGULOCS-HSALFYBXSA-N 1 0 470.639 4.829 20 0 JJADRO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463341996 1068363135 /nfs/dbraw/zinc/36/31/35/1068363135.db2.gz CWBQBQLWGULOCS-AABGKKOBSA-N 1 0 470.639 4.829 20 0 JJADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001463345219 1068365066 /nfs/dbraw/zinc/36/50/66/1068365066.db2.gz VJJQMQKUHYJYTM-UWSZBUKDSA-N 1 0 451.636 4.543 20 0 JJADRO CCCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001463366531 1068373937 /nfs/dbraw/zinc/37/39/37/1068373937.db2.gz SEKHITYDYFAZPY-RUZDIDTESA-N 1 0 456.030 4.811 20 0 JJADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2sc(Br)cc2C)CC1)CC(C)C ZINC001463391166 1068381723 /nfs/dbraw/zinc/38/17/23/1068381723.db2.gz FLPYUIVJPMKDFB-UHFFFAOYSA-N 1 0 451.496 4.588 20 0 JJADRO CC[NH+](CC)CCOc1cccc(NC(=O)c2cc(C)cc(I)c2)c1 ZINC001463395013 1068382828 /nfs/dbraw/zinc/38/28/28/1068382828.db2.gz MLUVMMSHKLCFNF-UHFFFAOYSA-N 1 0 452.336 4.573 20 0 JJADRO CC[NH+](CC)CC[C@@H](NC(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1)c1ccccc1 ZINC001463425760 1068393218 /nfs/dbraw/zinc/39/32/18/1068393218.db2.gz NFIMHGGGQNWFOR-JOCHJYFZSA-N 1 0 455.599 4.614 20 0 JJADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)c1ccc(C[NH+]3CCCCC3)o1)CC2 ZINC001463449733 1068400999 /nfs/dbraw/zinc/40/09/99/1068400999.db2.gz FAFQRSBYDZVZRA-FQEVSTJZSA-N 1 0 459.631 4.813 20 0 JJADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1Cl ZINC001463459961 1068406941 /nfs/dbraw/zinc/40/69/41/1068406941.db2.gz PUBWUTVSDRZNKI-UHFFFAOYSA-N 1 0 453.435 4.979 20 0 JJADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC001463505878 1068422639 /nfs/dbraw/zinc/42/26/39/1068422639.db2.gz RFIZNSRXGMUKOM-UHFFFAOYSA-N 1 0 456.521 4.863 20 0 JJADRO COc1cccc([C@@H](CNC(=O)Cc2ccc(Br)cc2Cl)[NH+]2CCCC2)c1 ZINC001463554246 1068439400 /nfs/dbraw/zinc/43/94/00/1068439400.db2.gz BTTWNHRDRNYCCC-HXUWFJFHSA-N 1 0 451.792 4.607 20 0 JJADRO C[NH+](C)C1(CNC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)CCCCC1 ZINC001463557928 1068440941 /nfs/dbraw/zinc/44/09/41/1068440941.db2.gz UCCIOXSWGNLTKW-UHFFFAOYSA-N 1 0 459.432 4.508 20 0 JJADRO Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001463562225 1068444080 /nfs/dbraw/zinc/44/40/80/1068444080.db2.gz CNEBNRRMWCQAQP-UHFFFAOYSA-N 1 0 454.939 4.658 20 0 JJADRO COc1ccc([C@H](CNC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC001463562918 1068444913 /nfs/dbraw/zinc/44/49/13/1068444913.db2.gz IOFWTHAGJWFCLE-AOHZBQACSA-N 1 0 457.412 4.689 20 0 JJADRO CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001463577289 1068453200 /nfs/dbraw/zinc/45/32/00/1068453200.db2.gz VNECGCJEVQDOPZ-IHPCNDPISA-N 1 0 451.677 4.967 20 0 JJADRO COc1ccc([C@@H](CNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)[NH+]2CCCCC2)cc1 ZINC001463657506 1068484283 /nfs/dbraw/zinc/48/42/83/1068484283.db2.gz FBCQZPGESNNNTO-HSZRJFAPSA-N 1 0 453.583 4.844 20 0 JJADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1ccc(C)c(Br)c1)c1ccc(Cl)cc1 ZINC001463678412 1068491039 /nfs/dbraw/zinc/49/10/39/1068491039.db2.gz XOZOZIRZPYUBGB-LJQANCHMSA-N 1 0 459.837 4.772 20 0 JJADRO COc1c(C)cc(S(=O)(=O)N2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)cc1C ZINC001463755386 1068514366 /nfs/dbraw/zinc/51/43/66/1068514366.db2.gz MVXHNOJTUGLBSJ-DEOSSOPVSA-N 1 0 458.668 4.666 20 0 JJADRO O=S(=O)(CCC1CCCCC1)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001463758620 1068515008 /nfs/dbraw/zinc/51/50/08/1068515008.db2.gz JASGKJGTYNRSQA-SANMLTNESA-N 1 0 455.668 4.848 20 0 JJADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001463760685 1068516040 /nfs/dbraw/zinc/51/60/40/1068516040.db2.gz FYKWSTLKFXEINE-QFIPXVFZSA-N 1 0 453.384 4.510 20 0 JJADRO CCc1ccc([C@@H](CNC(=O)CCOc2ccc(Cl)cc2Br)[NH+](C)C)cc1 ZINC001463768026 1068518038 /nfs/dbraw/zinc/51/80/38/1068518038.db2.gz ZNINHUZGNNFKBB-LJQANCHMSA-N 1 0 453.808 4.853 20 0 JJADRO COc1cccc([C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)[NH+](C)C)c1 ZINC001463769448 1068518773 /nfs/dbraw/zinc/51/87/73/1068518773.db2.gz OXAMOBQFDYXLOY-KRWDZBQOSA-N 1 0 450.379 4.645 20 0 JJADRO C[NH+](C)[C@H](CNC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)Cc1ccccc1 ZINC001463771104 1068519312 /nfs/dbraw/zinc/51/93/12/1068519312.db2.gz UOSOITKRXASZQU-YADHBBJMSA-N 1 0 451.611 4.595 20 0 JJADRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)Cc1ccccc1 ZINC001463770379 1068519343 /nfs/dbraw/zinc/51/93/43/1068519343.db2.gz MMDJDWKUZKSSSL-DHIUTWEWSA-N 1 0 453.627 4.568 20 0 JJADRO CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)c2C1 ZINC001463773227 1068520710 /nfs/dbraw/zinc/52/07/10/1068520710.db2.gz BCEBQEQJUUSGJT-RTWAWAEBSA-N 1 0 451.655 4.863 20 0 JJADRO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)[NH+](CC)CC)cc1 ZINC001463790051 1068524647 /nfs/dbraw/zinc/52/46/47/1068524647.db2.gz DCGYMQFNEGQGSF-QGZVFWFLSA-N 1 0 459.439 4.926 20 0 JJADRO CCc1ccc([C@H](CNS(=O)(=O)c2cc(Br)ccc2C)[NH+](CC)CC)cc1 ZINC001463790562 1068525136 /nfs/dbraw/zinc/52/51/36/1068525136.db2.gz DTJSGCRXKGWUQD-FQEVSTJZSA-N 1 0 453.446 4.681 20 0 JJADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)cc1 ZINC001463794163 1068526555 /nfs/dbraw/zinc/52/65/55/1068526555.db2.gz IWDCCVHFBYLJSH-UHFFFAOYSA-N 1 0 455.400 4.715 20 0 JJADRO CCOc1ccc([C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c2c[nH]c3ccccc32)cc1OC ZINC001463811566 1068533565 /nfs/dbraw/zinc/53/35/65/1068533565.db2.gz QHHOALROPGSKSB-OAQYLSRUSA-N 1 0 451.611 4.801 20 0 JJADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cc(Cl)c(Br)cc1C ZINC001463824666 1068536562 /nfs/dbraw/zinc/53/65/62/1068536562.db2.gz QCJAHFKPQURJMO-UHFFFAOYSA-N 1 0 451.858 4.688 20 0 JJADRO CC[C@@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC001463826125 1068538458 /nfs/dbraw/zinc/53/84/58/1068538458.db2.gz PJGZVEXNQKAOHG-RDPSFJRHSA-N 1 0 450.023 4.773 20 0 JJADRO CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001463839596 1068543602 /nfs/dbraw/zinc/54/36/02/1068543602.db2.gz XIMIPBIHHMEXRY-SFTDATJTSA-N 1 0 452.039 4.923 20 0 JJADRO COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC001463842439 1068544677 /nfs/dbraw/zinc/54/46/77/1068544677.db2.gz MEDGFOZMLFMCHF-JOCHJYFZSA-N 1 0 458.558 4.808 20 0 JJADRO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)ccc1Cl ZINC001463843050 1068545260 /nfs/dbraw/zinc/54/52/60/1068545260.db2.gz DATRSJPINSHBFD-LADGPHEKSA-N 1 0 458.986 4.734 20 0 JJADRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(C)c1F ZINC001463847042 1068546615 /nfs/dbraw/zinc/54/66/15/1068546615.db2.gz NYRYFEZVXABMLE-BJKOFHAPSA-N 1 0 470.585 4.837 20 0 JJADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCCOc3ccc(Cl)cc3Cl)CC2)cc1 ZINC001463899844 1068560106 /nfs/dbraw/zinc/56/01/06/1068560106.db2.gz RIENCCNSQMCZEJ-UHFFFAOYSA-N 1 0 451.394 4.896 20 0 JJADRO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001463909670 1068562439 /nfs/dbraw/zinc/56/24/39/1068562439.db2.gz WJCYLVIZTOCUGW-UHFFFAOYSA-N 1 0 456.512 4.856 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](OC)c1ccccc1Br)c1ccccc1Cl ZINC001463912145 1068562871 /nfs/dbraw/zinc/56/28/71/1068562871.db2.gz HETXAAKSIPTLCI-UXHICEINSA-N 1 0 453.808 4.989 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(Br)cc1Cl)c1cccc(OC)c1 ZINC001463916236 1068565067 /nfs/dbraw/zinc/56/50/67/1068565067.db2.gz MHOZFMCPZFNSBM-FQEVSTJZSA-N 1 0 453.808 4.853 20 0 JJADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1cccc(OC)c1 ZINC001463920123 1068566064 /nfs/dbraw/zinc/56/60/64/1068566064.db2.gz VOGTYYREWCQTCV-QHCPKHFHSA-N 1 0 455.002 4.964 20 0 JJADRO CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001464020921 1068590962 /nfs/dbraw/zinc/59/09/62/1068590962.db2.gz YWZYQJDEIVJGKY-INIZCTEOSA-N 1 0 459.384 4.901 20 0 JJADRO Cc1cccc(Oc2ccc(S(=O)(=O)N3CC[C@H]([N@H+](C)CCc4ccccc4)C3)cc2)c1 ZINC001464022195 1068591881 /nfs/dbraw/zinc/59/18/81/1068591881.db2.gz IDUFSACLKQYQJF-QHCPKHFHSA-N 1 0 450.604 4.725 20 0 JJADRO C[C@@H](CC[NH+](C)C)C(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1 ZINC001464029556 1068593483 /nfs/dbraw/zinc/59/34/83/1068593483.db2.gz WIBJRQOKLONYSB-AWEZNQCLSA-N 1 0 459.896 4.507 20 0 JJADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464075035 1068606417 /nfs/dbraw/zinc/60/64/17/1068606417.db2.gz XZAUTMMWKUNMHY-CQSZACIVSA-N 1 0 452.780 4.894 20 0 JJADRO CC[C@@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[N@@H+]1CCc2ccccc2C1 ZINC001464099825 1068615387 /nfs/dbraw/zinc/61/53/87/1068615387.db2.gz HSQJOQYYJAWLAM-NRFANRHFSA-N 1 0 456.512 4.766 20 0 JJADRO COc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1OC1CCCC1 ZINC001464120279 1068621742 /nfs/dbraw/zinc/62/17/42/1068621742.db2.gz JVUNKDQJPVVNEM-WOJBJXKFSA-N 1 0 452.595 4.556 20 0 JJADRO Cc1c(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)ccn1C(C)C ZINC001464122946 1068623069 /nfs/dbraw/zinc/62/30/69/1068623069.db2.gz RPVRNLDFJDIEEW-UHFFFAOYSA-N 1 0 450.549 4.728 20 0 JJADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3c(Cl)cccc3Br)cc2)C[C@H](C)O1 ZINC001464124947 1068624261 /nfs/dbraw/zinc/62/42/61/1068624261.db2.gz XHOSZOORKHKYDO-GJZGRUSLSA-N 1 0 451.792 4.642 20 0 JJADRO CCN(C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1)c1ccccc1 ZINC001464131381 1068627818 /nfs/dbraw/zinc/62/78/18/1068627818.db2.gz BYHKILWHEFWYIX-MUUNZHRXSA-N 1 0 456.634 4.949 20 0 JJADRO CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001464134693 1068629317 /nfs/dbraw/zinc/62/93/17/1068629317.db2.gz YQDWEPKEANFSNY-FQEVSTJZSA-N 1 0 458.444 4.794 20 0 JJADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)c1ccsc1 ZINC001464143204 1068633264 /nfs/dbraw/zinc/63/32/64/1068633264.db2.gz VOGZVIKKLWZYID-LJQANCHMSA-N 1 0 450.530 4.825 20 0 JJADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC(C)(C)NC(=O)OCc3ccccc3)cc2)C1 ZINC001464154048 1068634988 /nfs/dbraw/zinc/63/49/88/1068634988.db2.gz MGWHULCHNPDBQT-OAQYLSRUSA-N 1 0 451.611 4.630 20 0 JJADRO Cc1cccc(-c2noc(SCC(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)n2)c1 ZINC001464158057 1068637012 /nfs/dbraw/zinc/63/70/12/1068637012.db2.gz PBZHMUXHLPOHHM-LJQANCHMSA-N 1 0 450.608 4.685 20 0 JJADRO CC(C)c1ccc(Oc2cc(C(=O)NCc3ccc(CN4CC[NH+](C)CC4)cc3)ccn2)cc1 ZINC001464159892 1068637645 /nfs/dbraw/zinc/63/76/45/1068637645.db2.gz NMMRQHNHEPTAEL-UHFFFAOYSA-N 1 0 458.606 4.675 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC001464191889 1068650228 /nfs/dbraw/zinc/65/02/28/1068650228.db2.gz FOWCRXWUAZWUGC-SEPYTNNBSA-N 1 0 457.412 4.547 20 0 JJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001464199263 1068653572 /nfs/dbraw/zinc/65/35/72/1068653572.db2.gz LUZYTJHKKZWFQJ-HSZRJFAPSA-N 1 0 458.444 4.743 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cnc(Cl)c(Br)c2)C1 ZINC001464206105 1068656664 /nfs/dbraw/zinc/65/66/64/1068656664.db2.gz VGTQDNZFMNBGSF-GASCZTMLSA-N 1 0 450.808 4.905 20 0 JJADRO CC1CC[NH+](CCCCNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC001464214010 1068660376 /nfs/dbraw/zinc/66/03/76/1068660376.db2.gz PGEYOMWNKHQBIK-UHFFFAOYSA-N 1 0 453.414 4.994 20 0 JJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3coc(CNC(=O)OC(C)(C)C)c3)cc2)C1 ZINC001464216885 1068661081 /nfs/dbraw/zinc/66/10/81/1068661081.db2.gz ZUFDVEYPAAUPTA-KDURUIRLSA-N 1 0 455.599 4.712 20 0 JJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC001464222535 1068663825 /nfs/dbraw/zinc/66/38/25/1068663825.db2.gz YYRZKAUCJHNDFZ-ZIAGYGMSSA-N 1 0 451.327 4.836 20 0 JJADRO Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)cc2)cc1 ZINC001464223747 1068664419 /nfs/dbraw/zinc/66/44/19/1068664419.db2.gz PEEVJMFFPWNREO-HSZRJFAPSA-N 1 0 451.611 4.529 20 0 JJADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC001464225308 1068665037 /nfs/dbraw/zinc/66/50/37/1068665037.db2.gz AHRLYDCQOYEZAS-IZZNHLLZSA-N 1 0 464.631 4.567 20 0 JJADRO COc1ccc(S(=O)(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(Cl)c1Cl ZINC001464243197 1068672847 /nfs/dbraw/zinc/67/28/47/1068672847.db2.gz ZZOBJRBVPOTROF-KRWDZBQOSA-N 1 0 457.423 4.725 20 0 JJADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cccnc3-n3cc(Br)cn3)cc2)CC1 ZINC001464248099 1068674874 /nfs/dbraw/zinc/67/48/74/1068674874.db2.gz FSEWXZSWIZZKHP-UHFFFAOYSA-N 1 0 454.372 4.514 20 0 JJADRO Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cs1 ZINC001464270745 1068683338 /nfs/dbraw/zinc/68/33/38/1068683338.db2.gz NVGPMDYAPIQFCG-UHFFFAOYSA-N 1 0 452.599 4.711 20 0 JJADRO CCCc1c(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)nnn1-c1cccc(Cl)c1 ZINC001464325124 1068706243 /nfs/dbraw/zinc/70/62/43/1068706243.db2.gz QWVUDPRLKOKWCT-UHFFFAOYSA-N 1 0 452.002 4.576 20 0 JJADRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CC1 ZINC001464374931 1068722919 /nfs/dbraw/zinc/72/29/19/1068722919.db2.gz JYLWOZDXWWTDIU-UHFFFAOYSA-N 1 0 455.064 4.938 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001464399581 1068732429 /nfs/dbraw/zinc/73/24/29/1068732429.db2.gz LFYJOACFXYNWFZ-RBZQAINGSA-N 1 0 455.643 4.754 20 0 JJADRO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001464399576 1068732662 /nfs/dbraw/zinc/73/26/62/1068732662.db2.gz LFYJOACFXYNWFZ-KMDXXIMOSA-N 1 0 455.643 4.754 20 0 JJADRO C[C@H]1CCC[C@@](CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)([NH+](C)C)C1 ZINC001464404268 1068734537 /nfs/dbraw/zinc/73/45/37/1068734537.db2.gz NFTLWXWWHZQQJC-YCRPNKLZSA-N 1 0 450.446 4.742 20 0 JJADRO CC1CC[NH+]([C@@H](CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c2ccccc2)CC1 ZINC001464404668 1068734638 /nfs/dbraw/zinc/73/46/38/1068734638.db2.gz WQEWHYQIVRXPII-MHZLTWQESA-N 1 0 456.586 4.886 20 0 JJADRO C[C@@H]1CCC[C@](CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)([NH+](C)C)C1 ZINC001464404264 1068734664 /nfs/dbraw/zinc/73/46/64/1068734664.db2.gz NFTLWXWWHZQQJC-VFNWGFHPSA-N 1 0 450.446 4.742 20 0 JJADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001464435082 1068744592 /nfs/dbraw/zinc/74/45/92/1068744592.db2.gz VOSSBFFBZMQUQB-SRYPRDQNSA-N 1 0 457.659 4.727 20 0 JJADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCCCC1 ZINC001464436683 1068745198 /nfs/dbraw/zinc/74/51/98/1068745198.db2.gz DCQCAMKRCIGMOV-UHFFFAOYSA-N 1 0 458.521 4.958 20 0 JJADRO COc1ccc(S(=O)(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)c2ccccc12 ZINC001464440843 1068746628 /nfs/dbraw/zinc/74/66/28/1068746628.db2.gz PLSPAFNSCIFSSX-UHFFFAOYSA-N 1 0 452.620 4.962 20 0 JJADRO CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)C1 ZINC001464453585 1068751898 /nfs/dbraw/zinc/75/18/98/1068751898.db2.gz REUNRFMVLAAAFC-JOCHJYFZSA-N 1 0 455.046 4.721 20 0 JJADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](O)c3ccc(Cl)c(Cl)c3)cc2Cl)CC1 ZINC001464464997 1068756013 /nfs/dbraw/zinc/75/60/13/1068756013.db2.gz KHKQJEYLKYMGTL-HXUWFJFHSA-N 1 0 456.801 4.851 20 0 JJADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001464479918 1068761417 /nfs/dbraw/zinc/76/14/17/1068761417.db2.gz ZAWKDRBWRKASPC-UHFFFAOYSA-N 1 0 457.659 4.606 20 0 JJADRO CC(C)(CNC(=O)c1cc(-c2ccc(Br)cc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC001464490583 1068764520 /nfs/dbraw/zinc/76/45/20/1068764520.db2.gz DCAPJARIRZYHOV-UHFFFAOYSA-N 1 0 454.368 4.671 20 0 JJADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC001464496243 1068766374 /nfs/dbraw/zinc/76/63/74/1068766374.db2.gz ZPUAKIYEKAXZGS-FQEVSTJZSA-N 1 0 451.394 4.755 20 0 JJADRO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)c2)n1 ZINC001464517311 1068770656 /nfs/dbraw/zinc/77/06/56/1068770656.db2.gz FQJQQQOOZGBXER-UHFFFAOYSA-N 1 0 459.594 4.849 20 0 JJADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464552842 1068779455 /nfs/dbraw/zinc/77/94/55/1068779455.db2.gz OLBBOEVOALQXRY-QGZVFWFLSA-N 1 0 454.924 4.584 20 0 JJADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCn2ccc3cc(Cl)ccc32)CC1 ZINC001464557934 1068780811 /nfs/dbraw/zinc/78/08/11/1068780811.db2.gz GPPLKMUDDODNLF-SFHVURJKSA-N 1 0 456.993 4.843 20 0 JJADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001464562587 1068782350 /nfs/dbraw/zinc/78/23/50/1068782350.db2.gz QQLOAJHNOCOWDP-SQJMNOBHSA-N 1 0 459.656 4.662 20 0 JJADRO COc1ccc(C[NH+]2CCC(CNC(=O)C/C=C/c3ccc(Br)cc3)CC2)cc1 ZINC001464575181 1068788392 /nfs/dbraw/zinc/78/83/92/1068788392.db2.gz RRRKXMGQBJHYBT-NSCUHMNNSA-N 1 0 457.412 4.889 20 0 JJADRO Cc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3)cc2Br)[NH+]2CCCC2)cc1 ZINC001464600310 1068795293 /nfs/dbraw/zinc/79/52/93/1068795293.db2.gz YAXFIVMLXFNZQC-OAQYLSRUSA-N 1 0 453.384 4.510 20 0 JJADRO CN1CCC([NH+]2CCC(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCCC3)CC2)CC1 ZINC001464610799 1068798793 /nfs/dbraw/zinc/79/87/93/1068798793.db2.gz QXJVNFMMRAHCAQ-UHFFFAOYSA-N 1 0 452.470 4.870 20 0 JJADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cs1 ZINC001464612258 1068799213 /nfs/dbraw/zinc/79/92/13/1068799213.db2.gz XDMWAQFLTUXSOZ-UHFFFAOYSA-N 1 0 458.628 4.839 20 0 JJADRO CC(C)N(CCC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC001464635391 1068806368 /nfs/dbraw/zinc/80/63/68/1068806368.db2.gz HSEPYIQVVNDNQD-UHFFFAOYSA-N 1 0 459.553 4.631 20 0 JJADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(F)(F)C1(O)CCCCC1 ZINC001464640647 1068808096 /nfs/dbraw/zinc/80/80/96/1068808096.db2.gz ZUBZJCJXULMCOK-UHFFFAOYSA-N 1 0 451.385 4.994 20 0 JJADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001464642551 1068809208 /nfs/dbraw/zinc/80/92/08/1068809208.db2.gz RXUQCSOYWKFKIZ-AZUAARDMSA-N 1 0 471.564 4.679 20 0 JJADRO O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001464648716 1068810457 /nfs/dbraw/zinc/81/04/57/1068810457.db2.gz JZPGQOHHXGOQSX-HHHXNRCGSA-N 1 0 450.623 4.850 20 0 JJADRO C[C@H](C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001464707890 1068833468 /nfs/dbraw/zinc/83/34/68/1068833468.db2.gz XSCYIQNIOMADPS-OAQYLSRUSA-N 1 0 457.659 4.673 20 0 JJADRO OCC[C@@H]1CC12CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)CC2 ZINC001164393735 718811284 /nfs/dbraw/zinc/81/12/84/718811284.db2.gz VAJPGGWGXSRRQL-OAQYLSRUSA-N 1 0 468.041 4.745 20 0 JJADRO COc1cccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c(Cl)nn2)c1 ZINC001164387987 718815957 /nfs/dbraw/zinc/81/59/57/718815957.db2.gz LJMPODIUDUWHDX-GOSISDBHSA-N 1 0 476.877 4.861 20 0 JJADRO Cc1sc2nc(CN3CCCC3)nc(N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2c1C ZINC001164413318 718881336 /nfs/dbraw/zinc/88/13/36/718881336.db2.gz HSKFHKUULKFFLH-INIZCTEOSA-N 1 0 453.578 4.557 20 0 JJADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)cnc1Cl ZINC001164423467 718917790 /nfs/dbraw/zinc/91/77/90/718917790.db2.gz HDVUUJMNFNVEQO-HXUWFJFHSA-N 1 0 491.888 4.551 20 0 JJADRO Cc1nc2c(n1-c1nc(CN3CCCCC3)nc3scc(-c4ccccc4)c31)CC[NH2+]CC2 ZINC001164428281 718949487 /nfs/dbraw/zinc/94/94/87/718949487.db2.gz JFRNWJHXEWEBMM-UHFFFAOYSA-N 1 0 458.635 4.527 20 0 JJADRO Cc1nc2c(n1-c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)CC[NH2+]CC2 ZINC001164427093 718949707 /nfs/dbraw/zinc/94/97/07/718949707.db2.gz ALJAHTSKHDOAPK-UHFFFAOYSA-N 1 0 464.664 4.588 20 0 JJADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164614507 719008297 /nfs/dbraw/zinc/00/82/97/719008297.db2.gz FTSVQFWKCDYTCN-HTAPYJJXSA-N 1 0 499.389 4.631 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)CC2)CC1 ZINC001164617053 719027543 /nfs/dbraw/zinc/02/75/43/719027543.db2.gz JSMIMHVXQQWXSI-UHFFFAOYSA-N 1 0 487.378 4.725 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cccc4ccnc(Cl)c43)CC2)CC1 ZINC001164616331 719028570 /nfs/dbraw/zinc/02/85/70/719028570.db2.gz AUDYHKMNDJVRLL-UHFFFAOYSA-N 1 0 451.945 4.677 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccc(C)cc4)nc4ccccc43)CC2)CC1 ZINC001164617569 719028818 /nfs/dbraw/zinc/02/88/18/719028818.db2.gz OWNFULLRHQVLAF-UHFFFAOYSA-N 1 0 458.606 4.849 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)CC1 ZINC001164617234 719031632 /nfs/dbraw/zinc/03/16/32/719031632.db2.gz KDNYWIOOKYVUHE-UHFFFAOYSA-N 1 0 468.598 4.741 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4sc(C)c(-c5ccccc5)c43)CC2)CC1 ZINC001164618651 719032272 /nfs/dbraw/zinc/03/22/72/719032272.db2.gz XHEASZATERLDPD-UHFFFAOYSA-N 1 0 464.635 4.911 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC2)CC1 ZINC001164618686 719033269 /nfs/dbraw/zinc/03/32/69/719033269.db2.gz YMHCQLOCGQPQJL-UHFFFAOYSA-N 1 0 478.971 4.586 20 0 JJADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)CC2)CC1 ZINC001164618068 719036176 /nfs/dbraw/zinc/03/61/76/719036176.db2.gz RROLBQPXNIZYNU-UHFFFAOYSA-N 1 0 492.998 4.894 20 0 JJADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630150 719095178 /nfs/dbraw/zinc/09/51/78/719095178.db2.gz VPVMXYCMZBVLMK-UXHICEINSA-N 1 0 455.940 4.838 20 0 JJADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]2CF)CC1 ZINC001164621069 719122499 /nfs/dbraw/zinc/12/24/99/719122499.db2.gz KJLPPNBCKCTLQD-AEFFLSMTSA-N 1 0 471.671 4.919 20 0 JJADRO [NH3+]C1([C@H]2CN(C(F)(F)c3cc(-c4cccc(C(F)(F)F)c4)nnc3Cl)C[C@H]2CF)CC1 ZINC001164620619 719126295 /nfs/dbraw/zinc/12/62/95/719126295.db2.gz JCWUVBYXCPXUIS-DOMZBBRYSA-N 1 0 464.841 4.874 20 0 JJADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cc(-c4cccc(C(F)(F)F)c4)nnc3Cl)C[C@@H]2CF)CC1 ZINC001164620623 719126371 /nfs/dbraw/zinc/12/63/71/719126371.db2.gz JCWUVBYXCPXUIS-SWLSCSKDSA-N 1 0 464.841 4.874 20 0 JJADRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164638330 719261125 /nfs/dbraw/zinc/26/11/25/719261125.db2.gz OLBBQUMAHMNDNX-WDDWZANVSA-N 1 0 469.633 4.910 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164647093 719291132 /nfs/dbraw/zinc/29/11/32/719291132.db2.gz QTMIPWZVKSHLDZ-RYGJVYDSSA-N 1 0 478.996 4.957 20 0 JJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1 ZINC001164679076 719530206 /nfs/dbraw/zinc/53/02/06/719530206.db2.gz RHSGBUMNEOZGPY-RUZDIDTESA-N 1 0 452.618 4.639 20 0 JJADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3sc(-c4ccccc4)cc32)c2c1CC[NH2+]C2 ZINC001164682060 719632424 /nfs/dbraw/zinc/63/24/24/719632424.db2.gz LOPPIXBZUPRIBE-UHFFFAOYSA-N 1 0 453.015 4.683 20 0 JJADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)c2c1CC[NH2+]C2 ZINC001164680965 719653259 /nfs/dbraw/zinc/65/32/59/719653259.db2.gz KDQJAJMTVOCYJI-UHFFFAOYSA-N 1 0 451.974 4.744 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(-c4ccccc4)ccn3)CC2)c2ccccc21 ZINC001164681751 719662765 /nfs/dbraw/zinc/66/27/65/719662765.db2.gz QPEPYQOSDNQAOF-RUZDIDTESA-N 1 0 468.645 4.842 20 0 JJADRO Cc1nc2c3ccccc3oc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686178 719673438 /nfs/dbraw/zinc/67/34/38/719673438.db2.gz WSFYJFHXOKNPCW-NRFANRHFSA-N 1 0 497.643 4.778 20 0 JJADRO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680009 719673489 /nfs/dbraw/zinc/67/34/89/719673489.db2.gz ASGCDCUURUNTNA-LJQANCHMSA-N 1 0 491.026 4.682 20 0 JJADRO Cc1c(Cl)cnc(Cl)c1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686810 719675252 /nfs/dbraw/zinc/67/52/52/719675252.db2.gz XAGUKEWPDBAATE-GOSISDBHSA-N 1 0 475.464 4.790 20 0 JJADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc4nc(Cl)cnc4cc3F)CC2)c2ccccc21 ZINC001164681873 719679382 /nfs/dbraw/zinc/67/93/82/719679382.db2.gz NWZNPNPNNUSLHV-GOSISDBHSA-N 1 0 496.030 4.516 20 0 JJADRO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682021 719682543 /nfs/dbraw/zinc/68/25/43/719682543.db2.gz BLOGMMLMFMVDIP-NRFANRHFSA-N 1 0 496.099 4.799 20 0 JJADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164687960 719684046 /nfs/dbraw/zinc/68/40/46/719684046.db2.gz WXZOVSLNUZIRFM-NHCUHLMSSA-N 1 0 488.680 4.565 20 0 JJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)OCc4ccccc4)cn2)CC3)cs1 ZINC001164692017 719814385 /nfs/dbraw/zinc/81/43/85/719814385.db2.gz KOQXQMWTNHWIPS-UHFFFAOYSA-N 1 0 462.619 4.839 20 0 JJADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696632 719897459 /nfs/dbraw/zinc/89/74/59/719897459.db2.gz GKIRJGWTUZWSQH-UHFFFAOYSA-N 1 0 486.037 4.998 20 0 JJADRO Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1C ZINC001164707933 719898663 /nfs/dbraw/zinc/89/86/63/719898663.db2.gz ZRLBYNLUDRSUGP-UHFFFAOYSA-N 1 0 497.734 4.837 20 0 JJADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cc(SCc5ccccc5)ncn4)CC3)C2)c1 ZINC001164706495 719901427 /nfs/dbraw/zinc/90/14/27/719901427.db2.gz ITAHBUDBLKKWBZ-UHFFFAOYSA-N 1 0 452.649 4.702 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164809302 720089251 /nfs/dbraw/zinc/08/92/51/720089251.db2.gz JHRVBOTZZHOIIN-QVKFZJNVSA-N 1 0 471.379 4.666 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164711095 720096753 /nfs/dbraw/zinc/09/67/53/720096753.db2.gz OBTDCDBCSYJIPE-KRWDZBQOSA-N 1 0 471.379 4.836 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164714939 720105582 /nfs/dbraw/zinc/10/55/82/720105582.db2.gz FVDZGELRIIJLIW-INIZCTEOSA-N 1 0 455.817 4.944 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3sc(C)cc31)CC2 ZINC001164717432 720108769 /nfs/dbraw/zinc/10/87/69/720108769.db2.gz OZBLUHLJLGEMCN-GOSISDBHSA-N 1 0 458.031 4.556 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164714888 720118539 /nfs/dbraw/zinc/11/85/39/720118539.db2.gz DIHOLGOAYAFKRN-OAQYLSRUSA-N 1 0 464.013 4.700 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164718059 720120021 /nfs/dbraw/zinc/12/00/21/720120021.db2.gz RDSZWFRSSFKJBF-MRXNPFEDSA-N 1 0 455.817 4.944 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164714295 720126328 /nfs/dbraw/zinc/12/63/28/720126328.db2.gz BQFPOYQPOIWBSU-IBGZPJMESA-N 1 0 487.982 4.731 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164710779 720128697 /nfs/dbraw/zinc/12/86/97/720128697.db2.gz CHZJFINOAFHPBP-OAQYLSRUSA-N 1 0 464.013 4.700 20 0 JJADRO CCCCOc1cnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c(Cl)c1 ZINC001164713038 720136159 /nfs/dbraw/zinc/13/61/59/720136159.db2.gz PEWDSMBUHOQLTB-OAQYLSRUSA-N 1 0 459.034 4.816 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164711628 720137585 /nfs/dbraw/zinc/13/75/85/720137585.db2.gz HMCLYSYCCHGSFF-SANMLTNESA-N 1 0 495.627 4.627 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164712564 720138545 /nfs/dbraw/zinc/13/85/45/720138545.db2.gz NNSCGRJAYQVCKU-XMMPIXPASA-N 1 0 486.664 4.523 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3cc(C)ccc3C)nn1)CC2 ZINC001164710464 720145756 /nfs/dbraw/zinc/14/57/56/720145756.db2.gz BQCHNOCIXKXVTP-XMMPIXPASA-N 1 0 457.622 4.663 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164710444 720151346 /nfs/dbraw/zinc/15/13/46/720151346.db2.gz BMXZCNVUBGARAN-IBGZPJMESA-N 1 0 471.527 4.609 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(CC(C)C)nc(Cl)c1C)CC2 ZINC001164710795 720153268 /nfs/dbraw/zinc/15/32/68/720153268.db2.gz CSPRODRJPZKWHB-OAQYLSRUSA-N 1 0 458.050 4.539 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164713059 720153529 /nfs/dbraw/zinc/15/35/29/720153529.db2.gz PSTLJMOAVJDORA-NRFANRHFSA-N 1 0 487.044 4.593 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C3CCC3)nc(Cl)c1C)CC2 ZINC001164712677 720154848 /nfs/dbraw/zinc/15/48/48/720154848.db2.gz OJBIQEGSDMMHKG-NRFANRHFSA-N 1 0 456.034 4.608 20 0 JJADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164712489 720155123 /nfs/dbraw/zinc/15/51/23/720155123.db2.gz MTIMOJYQSNZXHO-QHCPKHFHSA-N 1 0 475.662 4.671 20 0 JJADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164712487 720155264 /nfs/dbraw/zinc/15/52/64/720155264.db2.gz MTIMOJYQSNZXHO-HSZRJFAPSA-N 1 0 475.662 4.671 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CSC)nc3sc4c(c31)CCCC4)C2 ZINC001164818223 720170127 /nfs/dbraw/zinc/17/01/27/720170127.db2.gz SHIJFJXUMAFORW-IQGLISFBSA-N 1 0 472.724 4.618 20 0 JJADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164818442 720173232 /nfs/dbraw/zinc/17/32/32/720173232.db2.gz SVAMBPPDRIOUQN-NZQKXSOJSA-N 1 0 462.972 4.527 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)C2 ZINC001164813665 720193037 /nfs/dbraw/zinc/19/30/37/720193037.db2.gz DDRXPYMBELTDDR-UZUQRXQVSA-N 1 0 465.400 4.774 20 0 JJADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164811718 720204982 /nfs/dbraw/zinc/20/49/82/720204982.db2.gz JVQLBBOWCGMFLR-WZONZLPQSA-N 1 0 480.962 4.666 20 0 JJADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3sc(-c4ccccc4)cc31)CCC2 ZINC001164813828 720230289 /nfs/dbraw/zinc/23/02/89/720230289.db2.gz PPJDFJYPHOXDOX-UHFFFAOYSA-N 1 0 495.052 4.819 20 0 JJADRO Cc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CCC(=O)N5CC4CC[NH+](C)CC4)c23)cc1 ZINC001164823095 720312788 /nfs/dbraw/zinc/31/27/88/720312788.db2.gz OFTSTQUYFBXPDH-PKTZIBPZSA-N 1 0 475.662 4.578 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3cc(OCc4ccccc4)ccc3n2)CC1 ZINC001164830315 720325328 /nfs/dbraw/zinc/32/53/28/720325328.db2.gz PNZHPPVDTSPULF-NSOVKSMOSA-N 1 0 484.644 4.725 20 0 JJADRO Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164825386 720327485 /nfs/dbraw/zinc/32/74/85/720327485.db2.gz DLAUQSSKWCKIAP-FTJBHMTQSA-N 1 0 469.633 4.517 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001164828667 720337663 /nfs/dbraw/zinc/33/76/63/720337663.db2.gz PFWBIACSXVQQNO-FCHUYYIVSA-N 1 0 496.080 4.923 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC001164821485 720338495 /nfs/dbraw/zinc/33/84/95/720338495.db2.gz AMJOQTXARQQHKB-FCHUYYIVSA-N 1 0 496.080 4.923 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1 ZINC001164825832 720346062 /nfs/dbraw/zinc/34/60/62/720346062.db2.gz JTBMDRXRMCYQEK-JWQCQUIFSA-N 1 0 494.083 4.587 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1 ZINC001164825837 720346499 /nfs/dbraw/zinc/34/64/99/720346499.db2.gz JTBMDRXRMCYQEK-LOSJGSFVSA-N 1 0 494.083 4.587 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC001164829401 720350186 /nfs/dbraw/zinc/35/01/86/720350186.db2.gz SBBHGFRQJXCOBO-WOJBJXKFSA-N 1 0 492.426 4.501 20 0 JJADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001164823515 720355890 /nfs/dbraw/zinc/35/58/90/720355890.db2.gz GNVQCHWNQSSWLI-VQTJNVASSA-N 1 0 495.039 4.920 20 0 JJADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729789 720392441 /nfs/dbraw/zinc/39/24/41/720392441.db2.gz WKMWJUQPGSGZCK-IAGOWNOFSA-N 1 0 450.320 4.730 20 0 JJADRO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CC[N@@H+]4Cc2cccnc2)n1)CCCC3 ZINC001164734813 720439423 /nfs/dbraw/zinc/43/94/23/720439423.db2.gz UWDROGNGWYYASM-MOPGFXCFSA-N 1 0 451.665 4.681 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164732426 720440589 /nfs/dbraw/zinc/44/05/89/720440589.db2.gz NHMOEJSFVWQWNN-YADHBBJMSA-N 1 0 462.667 4.542 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4scc(-c5ccccc5)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832472 720523256 /nfs/dbraw/zinc/52/32/56/720523256.db2.gz AVWXHCJLVKRGFB-QNWVGRARSA-N 1 0 458.635 4.933 20 0 JJADRO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1C ZINC001164733885 720524261 /nfs/dbraw/zinc/52/42/61/720524261.db2.gz MILMSBRHHFXZEP-KRWDZBQOSA-N 1 0 498.603 4.971 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3cccnc3)nc3sc(-c4ccccc4)cc32)C1 ZINC001164732567 720524370 /nfs/dbraw/zinc/52/43/70/720524370.db2.gz DWRUINLETHSHHS-IBGZPJMESA-N 1 0 481.629 4.815 20 0 JJADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3cccnc3)nc3sc(-c4ccccc4)cc32)C1 ZINC001164732568 720525288 /nfs/dbraw/zinc/52/52/88/720525288.db2.gz DWRUINLETHSHHS-LJQANCHMSA-N 1 0 481.629 4.815 20 0 JJADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(C3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001164735495 720529046 /nfs/dbraw/zinc/52/90/46/720529046.db2.gz YRXRPFGZZSVHGV-KRWDZBQOSA-N 1 0 450.656 4.622 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164735862 720543064 /nfs/dbraw/zinc/54/30/64/720543064.db2.gz SNYJNGPYCPHANW-DVECYGJZSA-N 1 0 490.982 4.506 20 0 JJADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)n1 ZINC001164734884 720547675 /nfs/dbraw/zinc/54/76/75/720547675.db2.gz LAKGHGYPIUCMRO-HXUWFJFHSA-N 1 0 479.694 4.936 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164834198 720565681 /nfs/dbraw/zinc/56/56/81/720565681.db2.gz CQZZBNDRRSWOJO-ACRUOGEOSA-N 1 0 486.998 4.916 20 0 JJADRO Fc1cccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)cnc2Cl)c1 ZINC001164736170 720588235 /nfs/dbraw/zinc/58/82/35/720588235.db2.gz GBNQEGWOUFQPEF-UHFFFAOYSA-N 1 0 475.946 4.941 20 0 JJADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)CC2 ZINC001164736480 720588592 /nfs/dbraw/zinc/58/85/92/720588592.db2.gz LGWWXLUWUXMHHD-UHFFFAOYSA-N 1 0 450.590 4.666 20 0 JJADRO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164836779 720590153 /nfs/dbraw/zinc/59/01/53/720590153.db2.gz GWLBNKDVELBPSU-FRQCXROJSA-N 1 0 456.006 4.576 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839751 720603081 /nfs/dbraw/zinc/60/30/81/720603081.db2.gz OGLNHXCWZOMVEA-YZGWKJHDSA-N 1 0 470.980 4.636 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC[C@@H]21 ZINC001164836164 720612355 /nfs/dbraw/zinc/61/23/55/720612355.db2.gz DYXOIFQPAYWQHJ-NWSQWKLXSA-N 1 0 486.998 4.916 20 0 JJADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835294 720614362 /nfs/dbraw/zinc/61/43/62/720614362.db2.gz AYZBVAHCBLSHBL-BHDDXSALSA-N 1 0 451.018 4.680 20 0 JJADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC[C@@H]21 ZINC001164836793 720630415 /nfs/dbraw/zinc/63/04/15/720630415.db2.gz GXKVXQZOTXZAPM-MPYJOUPCSA-N 1 0 485.680 4.708 20 0 JJADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164841969 720642490 /nfs/dbraw/zinc/64/24/90/720642490.db2.gz RGRSTOHZTQGOKY-XQBPLPMBSA-N 1 0 483.016 4.505 20 0 JJADRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3cccc(F)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838289 720643631 /nfs/dbraw/zinc/64/36/31/720643631.db2.gz KOWCUDXEJCALIN-SLYNCCJLSA-N 1 0 470.980 4.636 20 0 JJADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838119 720645140 /nfs/dbraw/zinc/64/51/40/720645140.db2.gz FGNROVZMEYIOBC-VAMGGRTRSA-N 1 0 483.016 4.505 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164838290 720661789 /nfs/dbraw/zinc/66/17/89/720661789.db2.gz HAKIXGOKUKZCGJ-MRXNPFEDSA-N 1 0 457.352 4.588 20 0 JJADRO COc1cc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(Cl)n1 ZINC001164844226 720665551 /nfs/dbraw/zinc/66/55/51/720665551.db2.gz YUFOFFMHQCTWCZ-IBGZPJMESA-N 1 0 451.945 4.548 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164840548 720673307 /nfs/dbraw/zinc/67/33/07/720673307.db2.gz NJCAMHKTCKSDQV-HSZRJFAPSA-N 1 0 483.056 4.621 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164840503 720674347 /nfs/dbraw/zinc/67/43/47/720674347.db2.gz MWUWSNQWHZQKRZ-INIZCTEOSA-N 1 0 457.352 4.588 20 0 JJADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839923 720683535 /nfs/dbraw/zinc/68/35/35/720683535.db2.gz CWBFIRWUJFDQPM-OAQYLSRUSA-N 1 0 492.645 4.642 20 0 JJADRO COc1ccc(C(F)(F)N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164844899 720688512 /nfs/dbraw/zinc/68/85/12/720688512.db2.gz VZQQBQZJJSHRGF-SFHVURJKSA-N 1 0 451.945 4.548 20 0 JJADRO COc1cc2c(cc1Cl)ncnc2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843766 720691637 /nfs/dbraw/zinc/69/16/37/720691637.db2.gz QTYLMIKGVDRQIE-IBGZPJMESA-N 1 0 452.986 4.552 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164839776 720692197 /nfs/dbraw/zinc/69/21/97/720692197.db2.gz BRHSAFDCUKSCDF-VWLOTQADSA-N 1 0 456.590 4.594 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164845306 720699611 /nfs/dbraw/zinc/69/96/11/720699611.db2.gz XZDOTXICNIEHAO-HXUWFJFHSA-N 1 0 483.975 4.716 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164844942 720700642 /nfs/dbraw/zinc/70/06/42/720700642.db2.gz WTVNNKFEITUNFV-FQEVSTJZSA-N 1 0 483.975 4.716 20 0 JJADRO CCOC(=O)c1cc2ccccc2nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844953 720701421 /nfs/dbraw/zinc/70/14/21/720701421.db2.gz WXVHWBXBPBGSPN-HSZRJFAPSA-N 1 0 459.590 4.671 20 0 JJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164844944 720701539 /nfs/dbraw/zinc/70/15/39/720701539.db2.gz WTVNNKFEITUNFV-HXUWFJFHSA-N 1 0 483.975 4.716 20 0 JJADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)n1 ZINC001164844806 720739883 /nfs/dbraw/zinc/73/98/83/720739883.db2.gz UHJWDNDNUXSJRT-UHFFFAOYSA-N 1 0 487.677 4.669 20 0 JJADRO c1ncn(C[C@H]2C[C@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741464 720820341 /nfs/dbraw/zinc/82/03/41/720820341.db2.gz NVUWWCXQDRCFGQ-IWVFXYMLSA-N 1 0 491.643 4.782 20 0 JJADRO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c3ccccc32)cc1C ZINC001164747904 720846700 /nfs/dbraw/zinc/84/67/00/720846700.db2.gz RZIVOSKMZUQGLT-BXTSTYNKSA-N 1 0 493.659 4.885 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744613 720847936 /nfs/dbraw/zinc/84/79/36/720847936.db2.gz KVBNGQOKNQTWGT-SVFBPWRDSA-N 1 0 491.690 4.699 20 0 JJADRO Cc1sc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1-c1ccccc1 ZINC001164745166 720848003 /nfs/dbraw/zinc/84/80/03/720848003.db2.gz MEBDCWNVGAOVNK-DNVJHFABSA-N 1 0 485.661 4.638 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164753084 720851583 /nfs/dbraw/zinc/85/15/83/720851583.db2.gz WIGGRJSFVGZRIB-GIFXNVAJSA-N 1 0 497.672 4.843 20 0 JJADRO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc12 ZINC001164747140 720856549 /nfs/dbraw/zinc/85/65/49/720856549.db2.gz HZPWCMYHWILWHL-CSODHUTKSA-N 1 0 457.409 4.513 20 0 JJADRO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc12 ZINC001164747135 720857029 /nfs/dbraw/zinc/85/70/29/720857029.db2.gz HZPWCMYHWILWHL-CBGDNZLLSA-N 1 0 457.409 4.513 20 0 JJADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164753056 720861742 /nfs/dbraw/zinc/86/17/42/720861742.db2.gz VSUICSNHJFEIMZ-DNVFCKCGSA-N 1 0 491.030 4.520 20 0 JJADRO Clc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164749008 720875630 /nfs/dbraw/zinc/87/56/30/720875630.db2.gz GCICKAOIXVYLNW-YWEHKCAJSA-N 1 0 490.051 4.947 20 0 JJADRO Clc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164749002 720875660 /nfs/dbraw/zinc/87/56/60/720875660.db2.gz GCICKAOIXVYLNW-CUBQBAPOSA-N 1 0 490.051 4.947 20 0 JJADRO Fc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164754592 720875817 /nfs/dbraw/zinc/87/58/17/720875817.db2.gz SBTCTMMHSFHSLW-CVDCTZTESA-N 1 0 480.962 4.569 20 0 JJADRO Fc1cc2nc(Cl)c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2cc1F ZINC001164757820 720884772 /nfs/dbraw/zinc/88/47/72/720884772.db2.gz VTSRABNHPMKMGM-AFMDSPMNSA-N 1 0 499.993 4.712 20 0 JJADRO CSc1nc2ccsc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758147 720886507 /nfs/dbraw/zinc/88/65/07/720886507.db2.gz XDMYLYJVHCEAPU-CJFMBICVSA-N 1 0 481.691 4.563 20 0 JJADRO Fc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cnc1Cl ZINC001164756825 720886693 /nfs/dbraw/zinc/88/66/93/720886693.db2.gz RFGNJTZADZSSRI-OFNKIYASSA-N 1 0 480.962 4.569 20 0 JJADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757205 720890625 /nfs/dbraw/zinc/89/06/25/720890625.db2.gz UIUTWJIVLVYXIM-XUZZJYLKSA-N 1 0 476.999 4.738 20 0 JJADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754481 720890912 /nfs/dbraw/zinc/89/09/12/720890912.db2.gz JAPSTBIKVZTPTN-CUNXSJBXSA-N 1 0 478.040 4.742 20 0 JJADRO Cc1nc(C2CCCCC2)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753196 720905648 /nfs/dbraw/zinc/90/56/48/720905648.db2.gz QUIWQLMOZAQXMI-UHSQPCAPSA-N 1 0 475.681 4.983 20 0 JJADRO c1ccc(COc2cccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1 ZINC001164752918 720908221 /nfs/dbraw/zinc/90/82/21/720908221.db2.gz PKCYUOLOBQFUOT-FIBWVYCGSA-N 1 0 484.644 4.811 20 0 JJADRO CC(C)c1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748546 720912716 /nfs/dbraw/zinc/91/27/16/720912716.db2.gz GURXFGIMUSRABH-VAVYLYDRSA-N 1 0 471.649 4.903 20 0 JJADRO Clc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(-c2ccccc2)n1 ZINC001164748088 720920502 /nfs/dbraw/zinc/92/05/02/720920502.db2.gz FUUCLUPMTJEEDV-YWEHKCAJSA-N 1 0 490.051 4.947 20 0 JJADRO CCOc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164753770 720921488 /nfs/dbraw/zinc/92/14/88/720921488.db2.gz SUGWXDSEHOTVIE-FREGXXQWSA-N 1 0 499.659 4.692 20 0 JJADRO Fc1ccc2c(Cl)nnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748045 720925624 /nfs/dbraw/zinc/92/56/24/720925624.db2.gz FJLNYDCHDZUAKS-FQRUVTKNSA-N 1 0 482.003 4.572 20 0 JJADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752900 720931159 /nfs/dbraw/zinc/93/11/59/720931159.db2.gz PIGPRRHVHWCZTK-KCWPFWIISA-N 1 0 484.088 4.787 20 0 JJADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747388 720934280 /nfs/dbraw/zinc/93/42/80/720934280.db2.gz CZEAOYVPIPANSK-HOFKKMOUSA-N 1 0 482.072 4.856 20 0 JJADRO CC(C)(c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754656 720937396 /nfs/dbraw/zinc/93/73/96/720937396.db2.gz WUDLPVWAPZLKEX-JYFHCDHNSA-N 1 0 455.046 4.616 20 0 JJADRO Fc1ccc2c(Cl)ncnc2c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754193 720938449 /nfs/dbraw/zinc/93/84/49/720938449.db2.gz UGHQHWDBGFJGDX-IBVKSMDESA-N 1 0 482.003 4.572 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)[C@H]2C ZINC001164856332 721002580 /nfs/dbraw/zinc/00/25/80/721002580.db2.gz BMBLPFROFXIOQJ-IBGZPJMESA-N 1 0 493.725 4.784 20 0 JJADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164856304 721003020 /nfs/dbraw/zinc/00/30/20/721003020.db2.gz AXGLTFHVVWHFBP-IBGZPJMESA-N 1 0 481.714 4.912 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)[C@@H]2C ZINC001164856334 721003401 /nfs/dbraw/zinc/00/34/01/721003401.db2.gz BMBLPFROFXIOQJ-LJQANCHMSA-N 1 0 493.725 4.784 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)[C@H]2C ZINC001164859747 721003472 /nfs/dbraw/zinc/00/34/72/721003472.db2.gz MIEMWICNRICNSY-KRWDZBQOSA-N 1 0 473.650 4.860 20 0 JJADRO Cc1sc2nc(-c3cccnc3)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164864248 721003858 /nfs/dbraw/zinc/00/38/58/721003858.db2.gz ZWSUKQFWDZZJHY-QGZVFWFLSA-N 1 0 461.639 4.988 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)[C@H]2C ZINC001164864173 721005501 /nfs/dbraw/zinc/00/55/01/721005501.db2.gz YRVSRALCNBAQOT-INIZCTEOSA-N 1 0 460.960 4.960 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)[C@H]2C ZINC001164864219 721005624 /nfs/dbraw/zinc/00/56/24/721005624.db2.gz ZVBHCCXEXOOUEN-INIZCTEOSA-N 1 0 460.960 4.960 20 0 JJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)[C@@H]2C ZINC001164857995 721010523 /nfs/dbraw/zinc/01/05/23/721010523.db2.gz FAOZISCAFVTUJE-WAIKUNEKSA-N 1 0 458.969 4.542 20 0 JJADRO COc1cccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164858107 721020232 /nfs/dbraw/zinc/02/02/32/721020232.db2.gz GHQZIVLKXBKGCQ-MRXNPFEDSA-N 1 0 456.978 4.549 20 0 JJADRO Cc1ccc(C[NH+]2CCC3(CCN(C(F)(F)c4ccc(C(N)=O)c(Cl)n4)CC3)CC2)cc1 ZINC001164761228 721042040 /nfs/dbraw/zinc/04/20/40/721042040.db2.gz FRKDOXPQYONPQK-UHFFFAOYSA-N 1 0 462.972 4.570 20 0 JJADRO CCn1nnc2c1CCN(c1ccc([C@@H]3CCCC[N@@H+]3CC)cn1)[C@@H]2COCc1ccccc1 ZINC001164772939 721049241 /nfs/dbraw/zinc/04/92/41/721049241.db2.gz QUOYJLBNYAVXBS-UKILVPOCSA-N 1 0 460.626 4.561 20 0 JJADRO CCn1nnc2c1CCN(c1ccc([C@@H]3CCCC[N@@H+]3CC)cn1)[C@H]2COCc1ccccc1 ZINC001164772941 721049382 /nfs/dbraw/zinc/04/93/82/721049382.db2.gz QUOYJLBNYAVXBS-ZCYQVOJMSA-N 1 0 460.626 4.561 20 0 JJADRO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867378 721068798 /nfs/dbraw/zinc/06/87/98/721068798.db2.gz IQYCDBUJCZCRPZ-NHCUHLMSSA-N 1 0 489.982 4.964 20 0 JJADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866643 721077735 /nfs/dbraw/zinc/07/77/35/721077735.db2.gz UKFIPFWYPBJUTA-QZTJIDSGSA-N 1 0 479.358 4.961 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164763654 721100647 /nfs/dbraw/zinc/10/06/47/721100647.db2.gz GMPIXMRIOLKMNO-JWQCQUIFSA-N 1 0 450.590 4.502 20 0 JJADRO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867230 721117964 /nfs/dbraw/zinc/11/79/64/721117964.db2.gz XEMDSIKANXKKJX-PMACEKPBSA-N 1 0 478.021 4.886 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164772758 721121668 /nfs/dbraw/zinc/12/16/68/721121668.db2.gz WKWZUMQPBILBBD-DQEYMECFSA-N 1 0 450.590 4.502 20 0 JJADRO Clc1ccc(-c2cc3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3s2)cc1 ZINC001164878437 721142562 /nfs/dbraw/zinc/14/25/62/721142562.db2.gz QCLLJDPUEDWNMH-SFTDATJTSA-N 1 0 478.021 4.886 20 0 JJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164874536 721145039 /nfs/dbraw/zinc/14/50/39/721145039.db2.gz KNLWMCRZMSGKCL-OALUTQOASA-N 1 0 463.632 4.603 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164874473 721145217 /nfs/dbraw/zinc/14/52/17/721145217.db2.gz KBYKZAPHSNBSKZ-VQTJNVASSA-N 1 0 477.659 4.911 20 0 JJADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1 ZINC001164762138 721153115 /nfs/dbraw/zinc/15/31/15/721153115.db2.gz CCATUTNQZIATPZ-RTWAWAEBSA-N 1 0 489.023 4.651 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164773662 721157013 /nfs/dbraw/zinc/15/70/13/721157013.db2.gz YNYYZERBUJXQOM-NHCUHLMSSA-N 1 0 458.997 4.642 20 0 JJADRO COc1ccc2c(c1)nc(N1C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C1)cc2-c1ccccc1 ZINC001164767566 721199614 /nfs/dbraw/zinc/19/96/14/721199614.db2.gz JZUHTFUJIYZFBZ-GOTSBHOMSA-N 1 0 453.590 4.602 20 0 JJADRO Cc1sc2nc(-c3cccs3)nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164763372 721200284 /nfs/dbraw/zinc/20/02/84/721200284.db2.gz FQZFWEOZKGBZAY-MOPGFXCFSA-N 1 0 464.664 4.728 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164763264 721217953 /nfs/dbraw/zinc/21/79/53/721217953.db2.gz FBKLSJTUVXMNJQ-FGZHOGPDSA-N 1 0 470.646 4.928 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@H]3C2)cn1 ZINC001164773848 721225659 /nfs/dbraw/zinc/22/56/59/721225659.db2.gz XJUQZDLGACZVMD-RBUKOAKNSA-N 1 0 475.946 4.778 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@@H]3C2)cn1 ZINC001164770798 721225865 /nfs/dbraw/zinc/22/58/65/721225865.db2.gz OMBPSBFESVQETO-OALUTQOASA-N 1 0 475.946 4.778 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164766851 721227295 /nfs/dbraw/zinc/22/72/95/721227295.db2.gz VPEPKSNDDSIHHL-FTJBHMTQSA-N 1 0 456.638 4.883 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164766859 721228601 /nfs/dbraw/zinc/22/86/01/721228601.db2.gz VPEPKSNDDSIHHL-UIOOFZCWSA-N 1 0 456.638 4.883 20 0 JJADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@@H]3C2)cn1 ZINC001164761466 721249648 /nfs/dbraw/zinc/24/96/48/721249648.db2.gz IMXIDCLBSAKNES-SJORKVTESA-N 1 0 463.985 4.700 20 0 JJADRO O=C(NC[C@H]1CCC[C@]2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164874145 721256136 /nfs/dbraw/zinc/25/61/36/721256136.db2.gz JHEKYKQPTHYERN-DLFZDVPBSA-N 1 0 496.655 4.588 20 0 JJADRO Cc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164775915 721329474 /nfs/dbraw/zinc/32/94/74/721329474.db2.gz AOHIUXWAIPNAEK-QDPGVEIFSA-N 1 0 490.051 4.656 20 0 JJADRO Cc1sc2nc(CN3CCCC3)nc(N(c3cccc(C)c3)[C@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164778392 721329823 /nfs/dbraw/zinc/32/98/23/721329823.db2.gz VCANJSAUQOSDBE-AJTFRIOCSA-N 1 0 477.678 4.871 20 0 JJADRO Cc1cccc(N(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777420 721329866 /nfs/dbraw/zinc/32/98/66/721329866.db2.gz NBTXUZLJCNYDMZ-AJTFRIOCSA-N 1 0 476.024 4.613 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cc(F)ccc43)C2)C1 ZINC001164777760 721332458 /nfs/dbraw/zinc/33/24/58/721332458.db2.gz QKVDBFMOTLMSPV-DEOSSOPVSA-N 1 0 458.965 4.751 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc(C)cc43)C2)C1 ZINC001164778230 721344383 /nfs/dbraw/zinc/34/43/83/721344383.db2.gz LOLUBOJKLULBPB-RUZDIDTESA-N 1 0 455.002 4.920 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4nc(Cl)cnc4cc3Cl)C2)C1 ZINC001164779045 721347502 /nfs/dbraw/zinc/34/75/02/721347502.db2.gz PMPZDKXHFUDAMC-QHCPKHFHSA-N 1 0 476.408 4.660 20 0 JJADRO COc1ccc2c(cc(Cl)nc2N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780693 721359276 /nfs/dbraw/zinc/35/92/76/721359276.db2.gz GOAJBLVUEIPKDU-VWLOTQADSA-N 1 0 471.001 4.621 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(Cl)c(Cl)cc43)C2)C1 ZINC001164782290 721360711 /nfs/dbraw/zinc/36/07/11/721360711.db2.gz MIMURAWOGPKKKJ-QHCPKHFHSA-N 1 0 476.408 4.660 20 0 JJADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)C)n3)C2)C1 ZINC001164786187 721369780 /nfs/dbraw/zinc/36/97/80/721369780.db2.gz WSKDNAWKPDCMHA-AREMUKBSSA-N 1 0 455.647 4.621 20 0 JJADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c(F)ccc(F)c34)C2)C1 ZINC001164783740 721376201 /nfs/dbraw/zinc/37/62/01/721376201.db2.gz OMLQAMCFPBPKJB-DEOSSOPVSA-N 1 0 476.955 4.890 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5cc(OCc6ccccc6)ccc5n4)C3)O2)CC1 ZINC001164887111 721419654 /nfs/dbraw/zinc/41/96/54/721419654.db2.gz LBJSKUGIMRQRFX-BHBYDHKZSA-N 1 0 486.660 4.579 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164890525 721419741 /nfs/dbraw/zinc/41/97/41/721419741.db2.gz SZCZRXQPTNONJE-KPURRNSFSA-N 1 0 489.639 4.510 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898360 721433249 /nfs/dbraw/zinc/43/32/49/721433249.db2.gz VUHVOYDOSRINJE-LXFBAYGMSA-N 1 0 492.067 4.716 20 0 JJADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C3)O2)CC1 ZINC001164897375 721440345 /nfs/dbraw/zinc/44/03/45/721440345.db2.gz TWSBSZJGEXAZEA-NEKDWFFYSA-N 1 0 489.689 4.638 20 0 JJADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C3)O2)CC1 ZINC001164897379 721440670 /nfs/dbraw/zinc/44/06/70/721440670.db2.gz TWSBSZJGEXAZEA-QDPGVEIFSA-N 1 0 489.689 4.638 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(F)ccc31)CC2 ZINC001164787637 721448299 /nfs/dbraw/zinc/44/82/99/721448299.db2.gz OWTRIKXPAXWKKH-OAQYLSRUSA-N 1 0 462.009 4.761 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164788595 721451831 /nfs/dbraw/zinc/45/18/31/721451831.db2.gz RQNJALQUXNEWDE-SFHVURJKSA-N 1 0 478.411 4.667 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164788601 721459444 /nfs/dbraw/zinc/45/94/44/721459444.db2.gz URCHYECJVSXOTE-LJQANCHMSA-N 1 0 479.452 4.671 20 0 JJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164887947 721461981 /nfs/dbraw/zinc/46/19/81/721461981.db2.gz LBNMKAJFMWEOEL-JYFHCDHNSA-N 1 0 467.683 4.803 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164782841 721463021 /nfs/dbraw/zinc/46/30/21/721463021.db2.gz CYSDVLAIHCFHLA-NRFANRHFSA-N 1 0 471.045 4.531 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164790041 721470705 /nfs/dbraw/zinc/47/07/05/721470705.db2.gz QEKAMMZJWYTWIF-XMMPIXPASA-N 1 0 482.694 4.503 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164789980 721471693 /nfs/dbraw/zinc/47/16/93/721471693.db2.gz PRQBUWHYZJEOCS-HSZRJFAPSA-N 1 0 482.694 4.503 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164791674 721473370 /nfs/dbraw/zinc/47/33/70/721473370.db2.gz XKVXIVCUTSHIFA-OAQYLSRUSA-N 1 0 487.044 4.656 20 0 JJADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164789880 721473830 /nfs/dbraw/zinc/47/38/30/721473830.db2.gz OYKBXFSEJCBWDS-NRFANRHFSA-N 1 0 484.031 4.589 20 0 JJADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164788844 721473894 /nfs/dbraw/zinc/47/38/94/721473894.db2.gz LSUYTTNIARBFCU-LJQANCHMSA-N 1 0 484.031 4.503 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)CC2 ZINC001164792068 721492206 /nfs/dbraw/zinc/49/22/06/721492206.db2.gz GDSWHWJABFVEAX-UHFFFAOYSA-N 1 0 490.051 4.941 20 0 JJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)CC2 ZINC001164796335 721498623 /nfs/dbraw/zinc/49/86/23/721498623.db2.gz QKNKTKNKTJNBPB-UHFFFAOYSA-N 1 0 473.955 4.984 20 0 JJADRO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)cc1 ZINC001164808358 721541304 /nfs/dbraw/zinc/54/13/04/721541304.db2.gz RPVSARCKAMMSMQ-KWXIBIRDSA-N 1 0 499.590 4.708 20 0 JJADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164809573 721546713 /nfs/dbraw/zinc/54/67/13/721546713.db2.gz VLHDCFCTQTWYRL-TWJOJJKGSA-N 1 0 451.574 4.560 20 0 JJADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@@H+]3C2)c1 ZINC001164911938 721547404 /nfs/dbraw/zinc/54/74/04/721547404.db2.gz XORSCQCUODHQEA-RSXGOPAZSA-N 1 0 475.564 4.665 20 0 JJADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[N@@H+]3C2)c1 ZINC001164906589 721553327 /nfs/dbraw/zinc/55/33/27/721553327.db2.gz KDFXYNJRRHPSJX-PKOBYXMFSA-N 1 0 458.896 4.542 20 0 JJADRO FC1(F)CCN(c2nc(Cl)ncc2OCc2ccccc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907841 721706417 /nfs/dbraw/zinc/70/64/17/721706417.db2.gz UNGIBBGIDSCIEZ-XMMPIXPASA-N 1 0 485.966 4.842 20 0 JJADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904197 721713204 /nfs/dbraw/zinc/71/32/04/721713204.db2.gz AMBSQFMWXOAQTR-NRFANRHFSA-N 1 0 479.909 4.961 20 0 JJADRO Fc1cccc(Oc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164906579 721714263 /nfs/dbraw/zinc/71/42/63/721714263.db2.gz NAKMLWDLZDUEST-JOCHJYFZSA-N 1 0 490.917 4.589 20 0 JJADRO O=C(c1ccccc1)n1ccc2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164907377 721720530 /nfs/dbraw/zinc/72/05/30/721720530.db2.gz RHRNCBORYKYVOT-HHHXNRCGSA-N 1 0 487.554 4.858 20 0 JJADRO CC(C)(C)c1noc(-c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2)n1 ZINC001164908905 721721000 /nfs/dbraw/zinc/72/10/00/721721000.db2.gz ZKJUQBWKLIPYOI-XMMPIXPASA-N 1 0 468.552 4.562 20 0 JJADRO FC1(F)CCN(c2nc(-c3cccnc3)nc3ccccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906900 721723092 /nfs/dbraw/zinc/72/30/92/721723092.db2.gz OXBPFEAFURELRL-SANMLTNESA-N 1 0 472.543 4.825 20 0 JJADRO FC1(F)CCN(c2cc(-c3cccc(Cl)c3)ncn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911834 721727162 /nfs/dbraw/zinc/72/71/62/721727162.db2.gz KWDARJNECRUKEV-HSZRJFAPSA-N 1 0 455.940 4.930 20 0 JJADRO c1cc(-c2ccc3c(C4CN(c5ncnc6c5CN(Cc5ccccc5)CC6)C4)[nH+]cn3c2)co1 ZINC001165015624 721766736 /nfs/dbraw/zinc/76/67/36/721766736.db2.gz STXWZXDJYISONX-UHFFFAOYSA-N 1 0 462.557 4.546 20 0 JJADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015424 721767233 /nfs/dbraw/zinc/76/72/33/721767233.db2.gz QFJRSDGAFBEGLD-UHFFFAOYSA-N 1 0 450.276 4.926 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@H]21 ZINC001165027228 721806873 /nfs/dbraw/zinc/80/68/73/721806873.db2.gz UOAIHIPZTUHPDE-POGFHVCPSA-N 1 0 489.067 4.778 20 0 JJADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026441 721809359 /nfs/dbraw/zinc/80/93/59/721809359.db2.gz QIKQIYKLAXUDNF-NYVOZVTQSA-N 1 0 477.634 4.514 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)nc1 ZINC001164915496 721811400 /nfs/dbraw/zinc/81/14/00/721811400.db2.gz BDPBZWMYDIQSEI-NMOFPLQQSA-N 1 0 456.656 4.676 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)nc1 ZINC001164915497 721811568 /nfs/dbraw/zinc/81/15/68/721811568.db2.gz BDPBZWMYDIQSEI-XOEOCAAJSA-N 1 0 456.656 4.676 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)C[C@@H]21 ZINC001165026801 721813555 /nfs/dbraw/zinc/81/35/55/721813555.db2.gz RFZAWXFWZDMAGZ-AKIFATBCSA-N 1 0 464.013 4.841 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)C[C@H]21 ZINC001165029375 721814810 /nfs/dbraw/zinc/81/48/10/721814810.db2.gz YUJJWTWWKWFPIW-HDYLNDSGSA-N 1 0 452.606 4.612 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)C[C@H]21 ZINC001165029368 721814857 /nfs/dbraw/zinc/81/48/57/721814857.db2.gz YUJJWTWWKWFPIW-DNRSQYFGSA-N 1 0 452.606 4.612 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)C[C@@H]21 ZINC001165029007 721814992 /nfs/dbraw/zinc/81/49/92/721814992.db2.gz YPHSXYUJYIJSLO-QGUKFAFCSA-N 1 0 470.596 4.751 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C[C@@H]21 ZINC001165022760 721816963 /nfs/dbraw/zinc/81/69/63/721816963.db2.gz HDBZWQYGIMMYJQ-ORYQWCPZSA-N 1 0 468.964 4.588 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165030552 721820849 /nfs/dbraw/zinc/82/08/49/721820849.db2.gz ZTSWBXLACAFKEK-DJIMGWMZSA-N 1 0 456.368 4.546 20 0 JJADRO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165025132 721822002 /nfs/dbraw/zinc/82/20/02/721822002.db2.gz LTYSAGWXNUFFNO-QTGUNEKASA-N 1 0 480.012 4.592 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@H]21 ZINC001165020673 721822522 /nfs/dbraw/zinc/82/25/22/721822522.db2.gz DDUZCDNBPWYKHU-CEWLAPEOSA-N 1 0 484.982 4.869 20 0 JJADRO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165028898 721822923 /nfs/dbraw/zinc/82/29/23/721822923.db2.gz VVIOMEBAAMYILP-CEWLAPEOSA-N 1 0 479.650 4.617 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C[C@@H]21 ZINC001165019168 721825118 /nfs/dbraw/zinc/82/51/18/721825118.db2.gz BGAIDFXNIMQNKJ-JKFKMHIGSA-N 1 0 468.045 4.539 20 0 JJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C[C@H]21 ZINC001165022262 721829621 /nfs/dbraw/zinc/82/96/21/721829621.db2.gz GVCCNCBUQPCALS-UCNVEGJOSA-N 1 0 457.018 4.822 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC001165023416 721843881 /nfs/dbraw/zinc/84/38/81/721843881.db2.gz ZTSIQXXQVOYAPC-UHFFFAOYSA-N 1 0 487.044 4.525 20 0 JJADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-c3c(F)cccc3F)nn2)CC1 ZINC001165022748 721844095 /nfs/dbraw/zinc/84/40/95/721844095.db2.gz TXGIYYPYGLDNNP-UHFFFAOYSA-N 1 0 454.521 4.540 20 0 JJADRO COc1cc(Oc2ccnc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c2)ccc1OCc1ccccc1 ZINC001164925963 721874490 /nfs/dbraw/zinc/87/44/90/721874490.db2.gz PHVZCFDGWSSWRJ-CLJLJLNGSA-N 1 0 488.632 4.676 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930965 721880026 /nfs/dbraw/zinc/88/00/26/721880026.db2.gz DPOONVBQEKRUJL-GOTSBHOMSA-N 1 0 470.646 4.635 20 0 JJADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930967 721880238 /nfs/dbraw/zinc/88/02/38/721880238.db2.gz DPOONVBQEKRUJL-XZOQPEGZSA-N 1 0 470.646 4.635 20 0 JJADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164933969 721890118 /nfs/dbraw/zinc/89/01/18/721890118.db2.gz NSJHPNFHPCAAKB-OALUTQOASA-N 1 0 489.920 4.575 20 0 JJADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c(Cl)nn2)cc1 ZINC001164930403 721890314 /nfs/dbraw/zinc/89/03/14/721890314.db2.gz BQCJVLVJFJWXRD-YADHBBJMSA-N 1 0 464.004 4.680 20 0 JJADRO c1sc2nc(-c3cccnc3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC000015130030 721918422 /nfs/dbraw/zinc/91/84/22/721918422.db2.gz SCDCEBOUAAMZSU-OAQYLSRUSA-N 1 0 457.603 4.721 20 0 JJADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938964 721925534 /nfs/dbraw/zinc/92/55/34/721925534.db2.gz DSPRNUSXPLJBRK-UHFFFAOYSA-N 1 0 495.023 4.640 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(-c5c[nH]c6ccccc65)n4)CC3)C2)cc1 ZINC001164939732 721926171 /nfs/dbraw/zinc/92/61/71/721926171.db2.gz MEEXDNMSVRSKFK-UHFFFAOYSA-N 1 0 453.590 4.805 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C(=O)Nc5ccccc5)ccn4)CC3)C2)cc1 ZINC001164939706 721926670 /nfs/dbraw/zinc/92/66/70/721926670.db2.gz LKSBYUWNJKINCU-UHFFFAOYSA-N 1 0 456.590 4.514 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4ccn5Cc4ccccc4)CC3)C2)cc1 ZINC001164941036 721927465 /nfs/dbraw/zinc/92/74/65/721927465.db2.gz ZEXCMKJANMLBKU-UHFFFAOYSA-N 1 0 467.617 4.659 20 0 JJADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H](c4ccncc4)C3)c21 ZINC001165040885 721928485 /nfs/dbraw/zinc/92/84/85/721928485.db2.gz SDFRYVLICFHOFH-OAQYLSRUSA-N 1 0 474.992 4.786 20 0 JJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(-c5ccccn5)nc5ccccc54)CC3)C2)cc1 ZINC001164940631 721931341 /nfs/dbraw/zinc/93/13/41/721931341.db2.gz VBAZGZZCXMPYIY-UHFFFAOYSA-N 1 0 465.601 4.872 20 0 JJADRO CC[NH+](CC)C1CCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCc2ccc(Cl)cc2)CC1 ZINC001165053080 722004011 /nfs/dbraw/zinc/00/40/11/722004011.db2.gz HSFXCDUJPNOYLR-UHFFFAOYSA-N 1 0 487.378 4.996 20 0 JJADRO CC[NH+](CC)C1CCN(c2ncnc3cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc32)CC1 ZINC001165054008 722005072 /nfs/dbraw/zinc/00/50/72/722005072.db2.gz XBFJEJGWCLVOTN-UHFFFAOYSA-N 1 0 484.641 4.843 20 0 JJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ccc(=O)n(Cc4csc(C)n4)c3CC2)nc1 ZINC001164949958 722007282 /nfs/dbraw/zinc/00/72/82/722007282.db2.gz AUKHBWJYMVYNJT-XMMPIXPASA-N 1 0 477.678 4.599 20 0 JJADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164951715 722014451 /nfs/dbraw/zinc/01/44/51/722014451.db2.gz COBCYTZMZAQXEM-UHFFFAOYSA-N 1 0 476.024 4.553 20 0 JJADRO COC(=O)c1ccc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2C)cc1 ZINC001164955667 722021403 /nfs/dbraw/zinc/02/14/03/722021403.db2.gz MOQXTVFHEMZAPB-UHFFFAOYSA-N 1 0 456.590 4.731 20 0 JJADRO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955248 722021637 /nfs/dbraw/zinc/02/16/37/722021637.db2.gz BWMFBLGRWAWVOS-QFIPXVFZSA-N 1 0 456.638 4.896 20 0 JJADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164955655 722021920 /nfs/dbraw/zinc/02/19/20/722021920.db2.gz MEQXCUMEFFJGQS-UHFFFAOYSA-N 1 0 461.997 4.875 20 0 JJADRO c1ccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164962175 722054656 /nfs/dbraw/zinc/05/46/56/722054656.db2.gz AJJBEMZSUIXMGD-UHFFFAOYSA-N 1 0 465.601 4.811 20 0 JJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964152 722057276 /nfs/dbraw/zinc/05/72/76/722057276.db2.gz SDMAUIXLYZFLFH-UHFFFAOYSA-N 1 0 472.967 4.947 20 0 JJADRO c1ccc(Cc2nnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c3ccccc23)cc1 ZINC001164962351 722059458 /nfs/dbraw/zinc/05/94/58/722059458.db2.gz RIGCXGSVDZMOLD-UHFFFAOYSA-N 1 0 479.628 4.735 20 0 JJADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164959956 722059873 /nfs/dbraw/zinc/05/98/73/722059873.db2.gz AKBHLAGPALWMRE-UHFFFAOYSA-N 1 0 496.659 4.610 20 0 JJADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961704 722060099 /nfs/dbraw/zinc/06/00/99/722060099.db2.gz OKEIINMKASXHKO-UHFFFAOYSA-N 1 0 499.993 4.856 20 0 JJADRO c1sc2nc(-c3ccccn3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164966891 722075794 /nfs/dbraw/zinc/07/57/94/722075794.db2.gz GXNKXDYUENSOCY-OYRHEFFESA-N 1 0 469.614 4.720 20 0 JJADRO c1csc(-c2csc3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c23)c1 ZINC001164979113 722107810 /nfs/dbraw/zinc/10/78/10/722107810.db2.gz HBYAMRQMWIUATM-QUCCMNQESA-N 1 0 463.632 4.542 20 0 JJADRO Clc1nc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1Cl ZINC001164979202 722108185 /nfs/dbraw/zinc/10/81/85/722108185.db2.gz PNNUDXAVSNBRKQ-KGLIPLIRSA-N 1 0 462.208 4.818 20 0 JJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971023 722111397 /nfs/dbraw/zinc/11/13/97/722111397.db2.gz BBZIBHHGUCJEMW-KNQAVFIVSA-N 1 0 458.940 4.555 20 0 JJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977430 722111720 /nfs/dbraw/zinc/11/17/20/722111720.db2.gz NBOCDJWJWYICLB-KNQAVFIVSA-N 1 0 458.940 4.555 20 0 JJADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976323 722123559 /nfs/dbraw/zinc/12/35/59/722123559.db2.gz LEVIVFSOEHRJBM-LPHOPBHVSA-N 1 0 494.373 4.604 20 0 JJADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973195 722123696 /nfs/dbraw/zinc/12/36/96/722123696.db2.gz GWCOSTLKSQNVOC-OXQOHEQNSA-N 1 0 494.373 4.604 20 0 JJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980449 722125624 /nfs/dbraw/zinc/12/56/24/722125624.db2.gz REWDLKSZGNYJJL-AMGIVPHBSA-N 1 0 483.591 4.867 20 0 JJADRO Cc1sc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164983322 722141900 /nfs/dbraw/zinc/14/19/00/722141900.db2.gz UCNXKVHZNLULPX-XZOQPEGZSA-N 1 0 471.630 4.789 20 0 JJADRO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164984941 722147240 /nfs/dbraw/zinc/14/72/40/722147240.db2.gz YLOFOTDLRQEFJS-ILBGXUMGSA-N 1 0 483.641 4.994 20 0 JJADRO Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1Cl ZINC001164972151 722152919 /nfs/dbraw/zinc/15/29/19/722152919.db2.gz GAPOIMGERAVSBL-NQIIRXRSSA-N 1 0 488.394 4.712 20 0 JJADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973004 722155667 /nfs/dbraw/zinc/15/56/67/722155667.db2.gz JRXNCSQAYWFLEC-URXFXBBRSA-N 1 0 480.012 4.607 20 0 JJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164977384 722166676 /nfs/dbraw/zinc/16/66/76/722166676.db2.gz MXGNWOALXVIAJE-XUZZJYLKSA-N 1 0 482.015 4.991 20 0 JJADRO CN(C)C(=O)c1cc2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2n1C1CCCC1 ZINC001164995388 722199864 /nfs/dbraw/zinc/19/98/64/722199864.db2.gz NEJBAHFOCQIRHO-NDEPHWFRSA-N 1 0 490.627 4.632 20 0 JJADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164994014 722208498 /nfs/dbraw/zinc/20/84/98/722208498.db2.gz CPUCTWDZABZLHQ-MHZLTWQESA-N 1 0 495.668 4.524 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)CCC2 ZINC001165000617 722251951 /nfs/dbraw/zinc/25/19/51/722251951.db2.gz UTHMOUFWEIERGC-UHFFFAOYSA-N 1 0 475.971 4.632 20 0 JJADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)CCC2 ZINC001165003686 722257347 /nfs/dbraw/zinc/25/73/47/722257347.db2.gz GFWPNSKYUMFPJH-UHFFFAOYSA-N 1 0 493.961 4.771 20 0 JJADRO